#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2waq n SER 9 N 0.00 -2.13 -0.11 1.45 2.88 -1.26 -4.48 113.62 109.97 2waq n SER 9 Ca 0.00 0.44 -0.22 0.00 -1.33 0.00 0.00 58.87 57.75 2waq n SER 9 Cb 0.00 -0.95 -0.10 0.00 -0.75 0.00 0.00 64.21 62.41 2waq n SER 9 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2waq n ILE 10 N -2.21 1.52 -0.31 2.46 5.41 -1.26 -2.96 119.36 122.01 2waq n ILE 10 Ca -0.01 -0.09 0.19 0.00 1.00 0.00 0.00 62.75 63.84 2waq n ILE 10 Cb 0.15 -2.04 0.45 0.00 -0.71 0.00 0.00 39.64 37.50 2waq n ILE 10 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2waq h ASP 11 N -1.00 0.54 -0.18 4.38 3.45 -1.99 0.27 116.42 121.89 2waq h ASP 11 Ca -0.40 0.08 -0.17 0.00 0.43 0.00 0.00 57.03 56.96 2waq h ASP 11 Cb 1.32 -0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 40.07 2waq h ASP 11 CO -0.24 0.16 -0.52 -0.08 -1.57 0.00 0.00 179.24 176.98 2waq h GLU 12 N 0.51 0.76 0.00 3.56 4.81 -1.82 -2.90 114.58 119.50 2waq h GLU 12 Ca 0.56 -0.47 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 2waq h GLU 12 Cb 1.24 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 2waq h GLU 12 CO -0.30 1.09 -0.33 0.07 -0.73 0.00 0.00 179.01 178.81 2waq h ARG 13 N 0.59 0.00 -0.13 1.92 0.11 -0.92 -3.23 114.38 112.73 2waq h ARG 13 Ca 0.02 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.91 2waq h ARG 13 Cb 1.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.18 2waq h ARG 13 CO 0.11 0.33 -0.71 2.35 0.10 0.00 0.00 179.97 182.15 2waq h TRP 14 N 0.00 0.76 0.00 4.08 2.91 -0.53 -3.26 115.95 119.91 2waq h TRP 14 Ca -0.00 -0.32 -0.07 0.00 1.13 0.00 0.00 58.89 59.62 2waq h TRP 14 Cb 1.12 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 29.64 2waq h TRP 14 CO 0.00 1.10 -0.34 0.87 -1.03 0.00 0.00 178.44 179.05 2waq h LYS 15 N 0.40 0.00 -0.09 2.65 1.57 -1.53 -0.73 116.57 118.84 2waq h LYS 15 Ca -0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2waq h LYS 15 Cb 1.30 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.61 2waq h LYS 15 CO 0.13 0.34 -0.00 0.28 -0.57 0.00 0.00 179.45 179.63 2waq h VAL 16 N 0.00 1.26 -0.03 0.50 2.07 -1.62 -2.51 116.25 115.92 2waq h VAL 16 Ca -0.00 -0.81 -0.12 0.00 0.82 0.00 0.00 66.70 66.59 2waq h VAL 16 Cb 0.61 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 2waq h VAL 16 CO 0.04 0.23 -0.52 -0.29 0.02 0.00 0.00 177.57 177.05 2waq h ILE 17 N -0.11 1.37 0.00 4.57 2.10 -1.59 -2.75 117.51 121.10 2waq h ILE 17 Ca 0.03 -1.80 -0.02 0.00 1.08 0.00 0.00 64.86 64.15 2waq h ILE 17 Cb 0.36 1.94 -0.00 0.00 -1.09 0.00 0.00 36.82 38.02 2waq h ILE 17 CO 0.01 0.52 -0.12 -0.08 -1.08 0.00 0.00 178.15 177.40 2waq h GLU 18 N 0.06 0.00 0.00 2.19 4.81 -1.05 -0.72 114.58 119.87 2waq h GLU 18 Ca -0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 2waq h GLU 18 Cb 0.94 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 2waq h GLU 18 CO 0.07 0.12 -0.48 0.00 -0.73 0.00 0.00 179.01 177.99 2waq h ALA 19 N 1.88 0.71 -0.43 2.92 0.00 -1.15 -3.22 119.26 119.98 2waq h ALA 19 Ca -0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 2waq h ALA 19 Cb 0.33 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2waq h ALA 19 CO 0.02 0.60 0.06 -0.92 0.00 0.00 0.00 179.25 179.00 2waq h TYR 20 N 0.00 0.77 -0.46 0.00 3.20 -1.02 -3.06 116.97 116.40 2waq h TYR 20 Ca -0.00 -0.11 -0.59 0.00 3.14 0.00 0.00 58.73 61.16 2waq h TYR 20 Cb 1.33 -0.21 -0.06 0.00 1.54 0.00 0.00 36.73 39.34 2waq h TYR 20 CO 0.00 0.75 2.35 1.19 -1.64 0.00 0.00 178.16 180.80 2waq n PHE 21 N -4.47 1.98 0.00 -3.82 3.72 -0.85 -2.22 117.46 111.80 2waq n PHE 21 Ca -0.00 -2.62 0.00 0.00 -0.05 0.00 0.00 57.45 54.78 2waq n PHE 21 Cb 0.25 -2.03 0.00 0.00 -0.94 0.00 0.00 39.48 36.76 2waq n PHE 21 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2waq n LYS 22 N 2.54 0.59 -0.11 -1.08 4.81 -1.16 -4.94 118.16 118.81 2waq n LYS 22 Ca 0.65 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.89 2waq n LYS 22 Cb 0.38 -0.09 -0.09 0.00 0.02 0.00 0.00 35.03 35.25 2waq n LYS 22 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2waq n SER 23 N -0.22 2.01 0.00 3.14 2.88 -1.08 -5.07 113.62 115.28 2waq n SER 23 Ca 0.00 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2waq n SER 23 Cb 0.00 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 2waq n SER 23 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2waq n LYS 24 N -3.55 0.00 0.00 -1.46 4.76 -0.94 -5.11 118.16 111.86 2waq n LYS 24 Ca -0.42 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.02 2waq n LYS 24 Cb 0.88 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.07 2waq n LYS 24 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2waq n GLY 25 N 1.58 2.79 5.51 0.72 0.00 -1.26 -4.70 105.19 109.84 2waq n GLY 25 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2waq n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2waq n LEU 26 N 0.00 0.00 0.00 0.99 7.94 -1.26 -3.21 117.00 121.46 2waq n LEU 26 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2waq n LEU 26 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2waq n LEU 26 CO 0.00 0.00 0.00 0.52 -1.11 0.00 0.00 177.39 176.80 2waq n VAL 27 N 0.00 0.00 0.00 1.96 0.31 -1.26 -5.00 118.33 114.34 2waq n VAL 27 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2waq n VAL 27 Cb 0.00 -0.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 2waq n VAL 27 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2waq n ARG 28 N -1.87 0.00 0.09 5.55 1.85 -1.20 -4.06 116.66 117.02 2waq n ARG 28 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.78 2waq n ARG 28 Cb 0.00 -1.37 -0.02 0.00 -1.05 0.00 0.00 32.46 30.02 2waq n ARG 28 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 2waq h GLN 29 N 4.54 0.09 0.17 2.89 1.08 -1.85 -3.22 115.11 118.81 2waq h GLN 29 Ca 0.00 -0.10 -0.36 0.00 -1.45 0.00 0.00 58.65 56.74 2waq h GLN 29 Cb 0.00 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 2waq h GLN 29 CO 0.19 0.91 -1.81 0.45 -0.95 0.00 0.00 178.83 177.62 2waq h HIS 30 N 0.04 0.66 -0.01 2.96 3.86 -1.85 -3.33 115.15 117.48 2waq h HIS 30 Ca -0.03 -0.48 0.03 0.00 -1.16 0.00 0.00 60.37 58.73 2waq h HIS 30 Cb 1.54 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 29.95 2waq h HIS 30 CO 0.01 1.71 -0.18 -0.07 0.86 0.00 0.00 177.93 180.26 2waq h LEU 31 N 0.09 -0.54 -1.55 2.43 3.38 -1.88 0.13 115.31 117.37 2waq h LEU 31 Ca -0.37 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 2waq h LEU 31 Cb 2.08 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 43.05 2waq h LEU 31 CO 0.15 -0.25 -0.14 0.44 0.09 0.00 0.00 178.44 178.74 2waq h ASP 32 N -0.29 0.10 0.05 -0.43 5.19 -1.76 0.13 116.42 119.41 2waq h ASP 32 Ca 0.06 -0.02 -0.24 0.00 -0.62 0.00 0.00 57.03 56.21 2waq h ASP 32 Cb 0.37 -0.03 0.01 0.00 0.18 0.00 0.00 39.33 39.87 2waq h ASP 32 CO -0.18 0.26 -0.94 -1.28 -3.12 0.00 0.00 179.24 173.99 2waq h SER 33 N 0.11 0.81 0.32 6.45 0.87 -1.52 -2.33 113.55 118.26 2waq h SER 33 Ca 0.02 -0.61 -0.20 0.00 -1.23 0.00 0.00 61.79 59.77 2waq h SER 33 Cb 0.32 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2waq h SER 33 CO 0.02 1.41 -0.84 0.22 -0.53 0.00 0.00 176.83 177.11 2waq h TYR 34 N 0.39 0.55 -0.35 2.24 3.20 -0.39 -2.41 116.97 120.20 2waq h TYR 34 Ca -0.09 -0.27 -0.03 0.00 3.14 0.00 0.00 58.73 61.47 2waq h TYR 34 Cb 1.57 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.75 2waq h TYR 34 CO 0.09 1.06 0.07 -0.91 -1.64 0.00 0.00 178.16 176.83 2waq h ASN 35 N 0.24 0.47 -0.26 -2.11 2.35 -0.82 -0.85 115.58 114.61 2waq h ASN 35 Ca -0.05 -0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.56 2waq h ASN 35 Cb 1.45 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.68 2waq h ASN 35 CO 0.14 0.49 -0.08 -0.78 -1.65 0.00 0.00 177.43 175.56 2waq h ASP 36 N 0.50 0.61 -0.24 5.81 -0.00 -1.26 -2.95 116.42 118.89 2waq h ASP 36 Ca 0.12 -0.16 -0.12 0.00 -0.00 0.00 0.00 57.03 56.87 2waq h ASP 36 Cb 0.22 -0.16 -0.00 0.00 -0.00 0.00 0.00 39.33 39.39 2waq h ASP 36 CO -0.00 0.73 -0.32 0.15 -0.00 0.00 0.00 179.24 179.81 2waq h PHE 37 N 0.59 0.78 0.00 0.28 3.57 -0.84 -1.15 116.94 120.16 2waq h PHE 37 Ca 0.11 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.36 2waq h PHE 37 Cb 0.49 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.07 2waq h PHE 37 CO 0.02 0.99 0.00 -0.24 -2.23 0.00 0.00 178.31 176.85 2waq h VAL 38 N 0.34 0.00 0.00 1.41 3.04 -1.15 -3.11 116.25 116.78 2waq h VAL 38 Ca 0.03 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 2waq h VAL 38 Cb 0.89 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 2waq h VAL 38 CO 0.07 0.00 -0.24 0.54 -1.01 0.00 0.00 177.57 176.94 2waq n ARG 39 N -2.38 0.13 -0.00 4.17 1.74 -1.12 -4.87 116.66 114.32 2waq n ARG 39 Ca 0.03 0.05 -0.17 0.00 -0.77 0.00 0.00 57.85 56.99 2waq n ARG 39 Cb 0.31 -0.60 -0.10 0.00 -1.02 0.00 0.00 32.46 31.06 2waq n ARG 39 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2waq h ASN 40 N -0.24 0.64 -0.12 0.55 2.35 -1.40 -3.43 115.58 113.92 2waq h ASN 40 Ca 0.00 -0.72 0.00 0.00 -0.55 0.00 0.00 56.30 55.03 2waq h ASN 40 Cb 0.24 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.42 2waq h ASN 40 CO 0.00 1.27 0.00 1.17 -1.65 0.00 0.00 177.43 178.22 2waq n LYS 41 N -4.15 2.06 0.00 0.81 3.00 -1.01 -4.31 118.16 114.56 2waq n LYS 41 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 2waq n LYS 41 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.72 2waq n LYS 41 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2waq n LEU 42 N 0.00 0.00 -0.09 3.14 7.94 -1.20 -3.81 117.00 122.98 2waq n LEU 42 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2waq n LEU 42 Cb 0.00 0.00 0.28 0.00 0.53 0.00 0.00 43.42 44.23 2waq n LEU 42 CO 0.00 0.00 1.07 -0.61 -1.11 0.00 0.00 177.39 176.74 2waq h GLN 43 N 0.00 0.73 -0.40 1.96 5.75 -1.84 -1.83 115.11 119.49 2waq h GLN 43 Ca 0.00 -0.10 -0.05 0.00 -0.15 0.00 0.00 58.65 58.35 2waq h GLN 43 Cb 0.00 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 2waq h GLN 43 CO 0.00 0.59 0.04 0.93 -2.65 0.00 0.00 178.83 177.74 2waq h GLU 44 N 0.73 0.61 -0.35 1.69 5.08 -1.75 -2.60 114.58 117.99 2waq h GLU 44 Ca 0.18 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.26 2waq h GLU 44 Cb 0.12 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2waq h GLU 44 CO -0.02 0.61 -0.39 0.82 -1.00 0.00 0.00 179.01 179.03 2waq h ILE 45 N 0.59 1.28 0.00 3.13 2.04 -1.69 -2.92 117.51 119.93 2waq h ILE 45 Ca 0.13 -1.57 -0.01 0.00 1.00 0.00 0.00 64.86 64.41 2waq h ILE 45 Cb 0.32 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 2waq h ILE 45 CO 0.01 0.52 -0.03 0.40 0.00 0.00 0.00 178.15 179.04 2waq h ILE 46 N 0.69 0.13 -0.07 -0.67 1.08 -1.11 -3.38 117.51 114.18 2waq h ILE 46 Ca 0.06 -0.42 -0.64 0.00 -0.39 0.00 0.00 64.86 63.47 2waq h ILE 46 Cb 0.96 1.37 0.02 0.00 -3.07 0.00 0.00 36.82 36.10 2waq h ILE 46 CO 0.09 0.03 2.38 0.47 -0.69 0.00 0.00 178.15 180.44 2waq n ASP 47 N -3.19 2.96 0.00 1.72 10.43 -1.00 -3.51 116.55 123.95 2waq n ASP 47 Ca -0.01 -2.73 0.00 0.00 2.57 0.00 0.00 54.79 54.63 2waq n ASP 47 Cb 0.24 -1.31 0.00 0.00 1.84 0.00 0.00 41.12 41.89 2waq n ASP 47 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 2waq n GLU 48 N 6.96 3.25 0.00 -1.24 0.28 -1.26 -5.05 120.64 123.58 2waq n GLU 48 Ca 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.50 2waq n GLU 48 Cb 0.41 -0.54 0.00 0.00 1.43 0.00 0.00 31.44 32.74 2waq n GLU 48 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2waq n GLN 49 N -0.71 0.00 -1.25 3.44 6.02 -1.23 -4.83 117.38 118.83 2waq n GLN 49 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 2waq n GLN 49 Cb 0.00 0.00 0.18 0.00 1.02 0.00 0.00 30.24 31.44 2waq n GLN 49 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2waq s GLY 50 N 0.00 1.57 0.00 1.08 0.00 -1.26 -3.58 107.32 105.13 2waq s GLY 50 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 44.72 44.20 2waq s GLY 50 CO 0.00 0.13 0.00 1.18 0.00 0.00 0.00 173.10 174.41 2waq n GLU 51 N -4.19 0.85 -3.15 2.90 -0.58 -1.26 -4.93 120.64 110.29 2waq n GLU 51 Ca 0.07 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.60 2waq n GLU 51 Cb 0.58 -0.97 0.05 0.00 -0.57 0.00 0.00 31.44 30.53 2waq n GLU 51 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2waq n ILE 52 N -1.48 -2.17 -2.66 -3.67 5.41 -1.26 -4.89 119.36 108.64 2waq n ILE 52 Ca 0.00 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.32 2waq n ILE 52 Cb 0.07 -3.46 -0.02 0.00 -0.71 0.00 0.00 39.64 35.51 2waq n ILE 52 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2waq s PRO 53 N -5.82 4.29 0.50 0.38 0.02 -1.26 -4.91 135.00 128.20 2waq s PRO 53 Ca 0.37 1.38 0.29 0.00 0.02 0.00 0.00 61.00 63.06 2waq s PRO 53 Cb -0.16 -3.63 0.97 0.00 0.02 0.00 0.00 34.50 31.70 2waq s PRO 53 CO 0.46 -0.57 1.84 1.15 -0.33 0.00 0.00 177.00 179.54 2waq h THR 54 N 5.38 0.10 -1.09 0.99 2.02 -1.93 -3.41 112.91 114.97 2waq h THR 54 Ca -0.22 -0.79 -0.53 0.00 0.77 0.00 0.00 66.41 65.65 2waq h THR 54 Cb 1.08 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 69.18 2waq h THR 54 CO 0.96 0.04 1.60 -0.62 0.37 0.00 0.00 175.52 177.87 2waq n GLU 55 N -3.13 0.85 -2.73 6.66 1.02 -1.26 -1.83 120.64 120.21 2waq n GLU 55 Ca 0.02 0.10 -0.03 0.00 -0.02 0.00 0.00 57.16 57.23 2waq n GLU 55 Cb 0.40 -2.70 -0.02 0.00 -0.02 0.00 0.00 31.44 29.10 2waq n GLU 55 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2waq n ILE 56 N 7.66-10.78 0.22 -3.67 5.41 -1.26 -4.40 119.36 112.53 2waq n ILE 56 Ca 0.45 2.07 0.10 0.00 1.00 0.00 0.00 62.75 66.37 2waq n ILE 56 Cb 0.33 -6.06 0.33 0.00 -0.71 0.00 0.00 39.64 33.52 2waq n ILE 56 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 2waq h PRO 57 N 3.83 0.00 -0.99 0.38 0.11 -1.64 0.55 132.00 134.25 2waq h PRO 57 Ca -0.29 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.45 2waq h PRO 57 Cb 0.72 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 31.61 2waq h PRO 57 CO 0.04 0.00 0.47 0.41 -0.21 0.00 0.00 178.00 178.71 2waq n GLY 58 N -1.47 3.79 3.23 -0.55 0.00 -1.26 -4.84 105.19 104.09 2waq n GLY 58 Ca 0.04 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 2waq n GLY 58 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2waq s LEU 59 N -2.41 3.62 0.26 0.99 1.98 0.19 0.15 118.68 123.46 2waq s LEU 59 Ca 0.42 -0.97 0.02 0.00 -2.89 0.00 0.00 54.13 50.71 2waq s LEU 59 Cb 0.35 -1.74 -0.03 0.00 0.66 0.00 0.00 46.19 45.43 2waq s LEU 59 CO 0.08 -0.19 0.22 -0.54 -1.89 0.00 0.00 176.35 174.03 2waq s LYS 60 N 1.35 1.48 -0.06 1.98 1.02 -0.40 -4.07 119.74 121.04 2waq s LYS 60 Ca -0.01 -1.79 -0.01 0.00 0.02 0.00 0.00 55.97 54.17 2waq s LYS 60 Cb -0.18 0.31 0.03 0.00 -0.52 0.00 0.00 37.83 37.47 2waq s LYS 60 CO -0.01 -0.53 0.02 0.08 -0.92 0.00 0.00 175.35 173.99 2waq s VAL 61 N -3.80 0.20 0.46 3.17 1.01 -1.26 0.32 120.40 120.49 2waq s VAL 61 Ca 0.39 0.22 -0.04 0.00 0.00 0.00 0.00 61.98 62.55 2waq s VAL 61 Cb 0.04 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 2waq s VAL 61 CO 0.19 0.22 0.74 -0.13 0.00 0.00 0.00 175.10 176.13 2waq s ARG 62 N 1.96 3.47 -0.12 2.72 0.52 0.31 -4.09 118.95 123.72 2waq s ARG 62 Ca 0.04 0.05 0.02 0.00 -0.52 0.00 0.00 55.73 55.31 2waq s ARG 62 Cb -0.12 -2.43 0.02 0.00 0.52 0.00 0.00 34.95 32.93 2waq s ARG 62 CO -0.04 -0.17 -0.16 -0.51 0.02 0.00 0.00 175.30 174.44 2waq s LEU 63 N -4.67 1.78 0.00 2.53 1.43 -1.23 -1.08 118.68 117.44 2waq s LEU 63 Ca 0.46 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2waq s LEU 63 Cb -0.10 -1.17 0.00 0.00 0.03 0.00 0.00 46.19 44.95 2waq s LEU 63 CO 0.43 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.63 2waq n GLY 64 N 4.31 0.65 3.85 -3.19 0.00 0.94 -4.79 105.19 106.95 2waq n GLY 64 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 2waq n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2waq s LYS 65 N 2.36 3.12 0.02 1.61 1.02 -1.26 -4.87 119.74 121.74 2waq s LYS 65 Ca 0.00 -0.67 -0.01 0.00 0.02 0.00 0.00 55.97 55.31 2waq s LYS 65 Cb 0.00 -2.82 -0.04 0.00 -0.52 0.00 0.00 37.83 34.45 2waq s LYS 65 CO 0.00 0.54 0.15 0.42 -0.92 0.00 0.00 175.35 175.54 2waq s ILE 66 N -1.60 5.15 -0.07 2.17 1.09 -1.26 -2.85 121.20 123.84 2waq s ILE 66 Ca 0.32 -0.34 0.04 0.00 -1.10 0.00 0.00 60.65 59.57 2waq s ILE 66 Cb -0.11 -3.42 0.00 0.00 -1.06 0.00 0.00 42.46 37.86 2waq s ILE 66 CO 0.25 0.27 -0.18 0.00 -0.10 0.00 0.00 174.94 175.18 2waq s ARG 67 N -2.05 2.15 -0.34 2.79 1.70 -0.12 -5.01 118.95 118.07 2waq s ARG 67 Ca 0.28 -0.64 -0.13 0.00 -0.47 0.00 0.00 55.73 54.77 2waq s ARG 67 Cb -0.12 -1.75 -0.02 0.00 -0.57 0.00 0.00 34.95 32.49 2waq s ARG 67 CO 0.20 0.16 0.24 0.42 -1.08 0.00 0.00 175.30 175.24 2waq s ILE 68 N 0.31 5.26 0.00 4.99 1.09 -1.26 -1.62 121.20 129.96 2waq s ILE 68 Ca -0.11 -0.22 0.00 0.00 -1.10 0.00 0.00 60.65 59.21 2waq s ILE 68 Cb -0.15 -3.70 0.00 0.00 -1.06 0.00 0.00 42.46 37.55 2waq s ILE 68 CO 0.05 -0.00 0.00 0.61 -0.10 0.00 0.00 174.94 175.49 2waq n GLY 69 N 5.10 -1.00 3.92 6.18 0.00 -0.98 -5.01 105.19 113.40 2waq n GLY 69 Ca -0.13 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.08 2waq n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2waq s LYS 70 N 0.00 3.55 0.00 1.61 1.02 -1.26 -4.75 119.74 119.91 2waq s LYS 70 Ca 0.00 -0.18 -0.01 0.00 0.02 0.00 0.00 55.97 55.80 2waq s LYS 70 Cb 0.00 -2.66 -0.02 0.00 -0.52 0.00 0.00 37.83 34.63 2waq s LYS 70 CO 0.00 0.18 0.78 -2.30 -0.92 0.00 0.00 175.35 173.09 2waq n PRO 71 N -1.35 0.00 -2.70 -1.68 -0.02 -1.26 -4.25 135.00 123.74 2waq n PRO 71 Ca -0.03 -0.40 -0.42 0.00 -2.02 0.00 0.00 63.50 60.63 2waq n PRO 71 Cb 0.55 -1.77 -0.03 0.00 -0.02 0.00 0.00 33.50 32.23 2waq n PRO 71 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2waq s ARG 72 N 4.11 3.41 -0.24 -0.52 0.52 -1.24 -2.79 118.95 122.19 2waq s ARG 72 Ca 0.03 -1.02 -0.16 0.00 -0.52 0.00 0.00 55.73 54.06 2waq s ARG 72 Cb 0.01 -4.78 -0.04 0.00 0.52 0.00 0.00 34.95 30.66 2waq s ARG 72 CO 0.01 -2.02 0.40 0.14 0.02 0.00 0.00 175.30 173.86 2waq s VAL 73 N 4.43 5.17 0.30 3.52 -7.23 -0.79 -4.58 120.40 121.22 2waq s VAL 73 Ca 0.36 0.67 -0.30 0.00 -1.81 0.00 0.00 61.98 60.90 2waq s VAL 73 Cb -0.06 -3.73 -0.12 0.00 0.56 0.00 0.00 36.38 33.03 2waq s VAL 73 CO -0.00 0.19 1.49 0.54 -0.31 0.00 0.00 175.10 177.00 2waq n ARG 74 N 5.01 2.45 -3.88 4.82 1.74 -1.26 -3.37 116.66 122.16 2waq n ARG 74 Ca -0.08 0.87 -0.30 0.00 -0.77 0.00 0.00 57.85 57.57 2waq n ARG 74 Cb 0.51 -2.58 -0.13 0.00 -1.02 0.00 0.00 32.46 29.23 2waq n ARG 74 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2waq s GLU 75 N -0.94 1.86 0.31 5.56 2.12 0.99 -4.85 118.70 123.76 2waq s GLU 75 Ca 0.62 -2.56 -0.29 0.00 0.36 0.00 0.00 54.97 53.10 2waq s GLU 75 Cb -0.54 -3.08 -0.12 0.00 0.26 0.00 0.00 34.13 30.65 2waq s GLU 75 CO 0.53 -1.15 1.37 0.43 -0.54 0.00 0.00 175.26 175.91 2waq n SER 76 N 3.07 2.95 -4.75 -1.70 7.64 -1.25 -1.12 113.62 118.47 2waq n SER 76 Ca 0.08 1.18 -0.39 0.00 1.01 0.00 0.00 58.87 60.75 2waq n SER 76 Cb 0.33 -1.49 -0.05 0.00 -1.01 0.00 0.00 64.21 61.99 2waq n SER 76 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2waq s ASP 77 N -0.04 7.10 -0.47 6.43 3.68 -1.26 -4.84 116.67 127.27 2waq s ASP 77 Ca 0.60 1.31 -0.01 0.00 2.13 0.00 0.00 52.55 56.58 2waq s ASP 77 Cb -0.58 -2.43 0.01 0.00 -1.45 0.00 0.00 42.92 38.48 2waq s ASP 77 CO 0.57 0.02 0.03 0.54 0.13 0.00 0.00 175.17 176.46 2waq n ARG 78 N 2.96 -2.68 -3.99 4.34 1.74 -1.26 -4.93 116.66 112.84 2waq n ARG 78 Ca -0.04 0.24 -0.23 0.00 -0.77 0.00 0.00 57.85 57.05 2waq n ARG 78 Cb 0.51 -4.78 -0.06 0.00 -1.02 0.00 0.00 32.46 27.10 2waq n ARG 78 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2waq s GLY 79 N -2.06 2.10 -0.28 -0.13 0.00 -0.28 -4.98 107.32 101.70 2waq s GLY 79 Ca 0.03 -1.93 -0.17 0.00 0.00 0.00 0.00 44.72 42.65 2waq s GLY 79 CO 0.03 -1.79 0.72 -1.83 0.00 0.00 0.00 173.10 170.23 2waq s GLU 80 N -3.93 0.70 0.03 2.90 4.04 -1.26 -0.01 118.70 121.18 2waq s GLU 80 Ca 0.41 1.16 -0.02 0.00 0.04 0.00 0.00 54.97 56.56 2waq s GLU 80 Cb -0.01 0.17 -0.02 0.00 0.02 0.00 0.00 34.13 34.29 2waq s GLU 80 CO 0.24 -0.14 0.00 1.03 -1.84 0.00 0.00 175.26 174.55 2waq s ARG 81 N 1.44 0.47 0.35 -4.83 1.81 -1.22 -4.94 118.95 112.04 2waq s ARG 81 Ca -0.08 -0.82 -0.25 0.00 -1.72 0.00 0.00 55.73 52.86 2waq s ARG 81 Cb -0.05 0.17 -0.10 0.00 -0.45 0.00 0.00 34.95 34.52 2waq s ARG 81 CO -0.17 -0.09 0.95 -1.21 -0.68 0.00 0.00 175.30 174.10 2waq s GLU 82 N -2.46 4.47 -0.05 3.54 2.02 -1.26 -1.89 118.70 123.07 2waq s GLU 82 Ca -0.07 1.29 0.04 0.00 0.02 0.00 0.00 54.97 56.26 2waq s GLU 82 Cb -0.02 -2.64 0.00 0.00 0.10 0.00 0.00 34.13 31.57 2waq s GLU 82 CO -0.04 0.18 -0.16 0.96 0.02 0.00 0.00 175.26 176.21 2waq s ILE 83 N -1.75 1.36 0.39 -1.63 -4.36 -1.12 -4.98 121.20 109.11 2waq s ILE 83 Ca 0.53 -0.66 -0.25 0.00 -0.26 0.00 0.00 60.65 60.01 2waq s ILE 83 Cb -0.17 -1.18 -0.09 0.00 1.25 0.00 0.00 42.46 42.28 2waq s ILE 83 CO 0.21 0.40 1.11 -0.55 0.24 0.00 0.00 174.94 176.35 2waq s SER 84 N 0.18 6.70 0.52 4.36 0.15 -1.26 -4.89 113.70 119.46 2waq s SER 84 Ca -0.07 2.20 0.30 0.00 0.70 0.00 0.00 55.95 59.08 2waq s SER 84 Cb -0.12 -2.60 1.43 0.00 -1.71 0.00 0.00 66.02 63.02 2waq s SER 84 CO 0.03 -0.54 1.89 -0.65 1.20 0.00 0.00 173.24 175.16 2waq h PRO 85 N 2.70 0.05 -0.34 5.44 0.11 -1.99 0.52 132.00 138.48 2waq h PRO 85 Ca -0.48 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 2waq h PRO 85 Cb 1.22 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2waq h PRO 85 CO 0.63 0.03 -0.19 0.52 -0.21 0.00 0.00 178.00 178.78 2waq h MET 86 N 0.05 0.64 0.00 1.05 2.86 -1.92 -1.66 114.93 115.95 2waq h MET 86 Ca 0.43 -0.23 -0.12 0.00 -2.06 0.00 0.00 59.70 57.72 2waq h MET 86 Cb 1.63 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 33.23 2waq h MET 86 CO -0.03 0.79 -0.56 0.93 1.06 0.00 0.00 176.91 179.10 2waq h GLU 87 N 0.57 0.00 -0.34 1.72 5.08 -0.36 -2.35 114.58 118.89 2waq h GLU 87 Ca 0.09 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.30 2waq h GLU 87 Cb 0.64 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2waq h GLU 87 CO 0.05 0.56 -0.39 0.00 -1.00 0.00 0.00 179.01 178.22 2waq h ALA 88 N 1.44 0.67 0.00 3.43 0.00 -0.96 -1.41 119.26 122.43 2waq h ALA 88 Ca -0.01 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 2waq h ALA 88 Cb 1.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2waq h ALA 88 CO 0.07 0.67 -0.53 0.00 0.00 0.00 0.00 179.25 179.46 2waq h ARG 89 N 0.67 0.00 0.14 0.00 3.08 -1.14 0.69 114.38 117.82 2waq h ARG 89 Ca 0.05 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.74 2waq h ARG 89 Cb 0.96 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 2waq h ARG 89 CO 0.09 0.53 -1.92 -0.07 -1.07 0.00 0.00 179.97 177.53 2waq h LEU 90 N 0.00 0.47 0.00 3.04 3.38 -1.41 -3.35 115.31 117.44 2waq h LEU 90 Ca -0.01 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.03 2waq h LEU 90 Cb 0.96 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2waq h LEU 90 CO 0.07 1.83 0.00 0.54 0.09 0.00 0.00 178.44 180.97 2waq n ARG 91 N -3.51 0.31 -3.55 1.13 5.12 -0.53 -4.92 116.66 110.70 2waq n ARG 91 Ca -0.29 0.03 -0.21 0.00 -1.93 0.00 0.00 57.85 55.44 2waq n ARG 91 Cb 1.06 -1.50 0.08 0.00 -1.16 0.00 0.00 32.46 30.93 2waq n ARG 91 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2waq n ASN 92 N -1.33 -4.06 -4.92 0.55 3.02 -0.93 -4.39 115.26 103.19 2waq n ASN 92 Ca 0.12 -0.61 -0.20 0.00 -0.03 0.00 0.00 54.58 53.86 2waq n ASN 92 Cb 0.24 -4.94 -0.02 0.00 -0.61 0.00 0.00 39.78 34.45 2waq n ASN 92 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2waq s LEU 93 N -6.86 3.65 -0.17 3.41 1.02 0.19 -3.84 118.68 116.07 2waq s LEU 93 Ca 0.30 -0.47 -0.14 0.00 0.02 0.00 0.00 54.13 53.84 2waq s LEU 93 Cb -0.14 -2.38 -0.05 0.00 0.02 0.00 0.00 46.19 43.64 2waq s LEU 93 CO 0.74 -0.52 0.28 -0.89 0.02 0.00 0.00 176.35 175.98 2waq s THR 94 N -2.32 5.31 -1.04 5.49 2.01 -1.26 -1.48 115.64 122.34 2waq s THR 94 Ca 0.46 0.52 -0.23 0.00 0.31 0.00 0.00 61.69 62.75 2waq s THR 94 Cb -0.07 -3.62 0.04 0.00 0.01 0.00 0.00 72.50 68.86 2waq s THR 94 CO 0.29 0.37 1.54 -0.47 -0.69 0.00 0.00 174.62 175.66 2waq s TYR 95 N 0.61 2.47 0.03 4.92 5.04 -0.34 -4.94 117.35 125.15 2waq s TYR 95 Ca 0.15 -0.76 0.02 0.00 -2.44 0.00 0.00 57.07 54.05 2waq s TYR 95 Cb -0.13 -4.63 -0.02 0.00 0.35 0.00 0.00 41.96 37.53 2waq s TYR 95 CO 0.04 -1.90 -0.06 0.00 -1.34 0.00 0.00 175.55 172.29 2waq s ALA 96 N 5.50 0.44 -0.04 3.97 0.00 -1.26 -0.08 121.76 130.29 2waq s ALA 96 Ca 0.50 -0.63 0.05 0.00 0.00 0.00 0.00 51.96 51.88 2waq s ALA 96 Cb -0.00 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 2waq s ALA 96 CO -0.07 -0.03 -0.18 0.00 0.00 0.00 0.00 175.76 175.49 2waq s ALA 97 N -1.16 2.51 0.25 0.00 0.00 -1.02 -3.69 121.76 118.64 2waq s ALA 97 Ca -0.09 -1.02 -0.30 0.00 0.00 0.00 0.00 51.96 50.55 2waq s ALA 97 Cb -0.08 -0.85 -0.10 0.00 0.00 0.00 0.00 23.12 22.08 2waq s ALA 97 CO 0.00 0.53 1.42 -1.25 0.00 0.00 0.00 175.76 176.46 2waq s PRO 98 N -0.64 4.28 -0.55 0.00 0.04 -1.26 -2.54 135.00 134.34 2waq s PRO 98 Ca 0.10 2.28 -0.18 0.00 0.04 0.00 0.00 61.00 63.23 2waq s PRO 98 Cb -0.11 -3.11 0.09 0.00 0.04 0.00 0.00 34.50 31.41 2waq s PRO 98 CO 0.00 -0.39 0.63 -0.51 0.04 0.00 0.00 177.00 176.77 2waq s LEU 99 N -0.46 5.36 -0.30 -3.56 1.43 -0.02 -2.33 118.68 118.80 2waq s LEU 99 Ca 0.58 -1.30 -0.17 0.00 -1.03 0.00 0.00 54.13 52.21 2waq s LEU 99 Cb -0.41 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.46 2waq s LEU 99 CO 0.44 -0.98 0.49 0.26 0.23 0.00 0.00 176.35 176.79 2waq s TRP 100 N 2.46 3.22 -0.15 0.29 0.52 -0.64 -2.24 118.94 122.40 2waq s TRP 100 Ca 0.11 0.38 0.00 0.00 0.02 0.00 0.00 56.10 56.62 2waq s TRP 100 Cb -0.23 -2.79 -0.00 0.00 -1.15 0.00 0.00 33.47 29.30 2waq s TRP 100 CO 0.08 -0.39 -0.16 -1.17 0.02 0.00 0.00 176.95 175.33 2waq s LEU 101 N 2.31 2.47 -0.13 2.99 1.98 0.16 -0.94 118.68 127.52 2waq s LEU 101 Ca 0.19 -0.46 -0.26 0.00 -2.89 0.00 0.00 54.13 50.70 2waq s LEU 101 Cb -0.16 -1.56 -0.02 0.00 0.66 0.00 0.00 46.19 45.12 2waq s LEU 101 CO 0.11 0.09 0.85 -0.89 -1.89 0.00 0.00 176.35 174.63 2waq s THR 102 N 0.75 4.89 0.08 3.68 2.01 -1.13 -1.20 115.64 124.73 2waq s THR 102 Ca -0.06 1.71 0.08 0.00 0.31 0.00 0.00 61.69 63.72 2waq s THR 102 Cb -0.15 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 2waq s THR 102 CO 0.01 0.07 -0.16 -0.04 -0.69 0.00 0.00 174.62 173.81 2waq s MET 103 N 1.82 1.99 -0.46 4.92 -1.94 -0.82 -0.04 119.30 124.77 2waq s MET 103 Ca 0.41 -1.05 0.03 0.00 -1.71 0.00 0.00 55.69 53.37 2waq s MET 103 Cb -0.17 -2.20 0.12 0.00 2.01 0.00 0.00 34.83 34.59 2waq s MET 103 CO 0.16 0.51 0.21 0.42 -0.01 0.00 0.00 175.02 176.31 2waq s ILE 104 N -1.08 2.20 -0.01 2.53 -1.09 -0.24 -4.21 121.20 119.31 2waq s ILE 104 Ca 0.17 -2.90 -0.30 0.00 -2.23 0.00 0.00 60.65 55.39 2waq s ILE 104 Cb -0.11 -2.55 -0.06 0.00 -1.58 0.00 0.00 42.46 38.16 2waq s ILE 104 CO 0.09 -0.78 1.57 -2.16 -1.23 0.00 0.00 174.94 172.43 2waq s PRO 105 N 0.14 4.21 -0.24 2.79 0.04 -1.26 -0.53 135.00 140.16 2waq s PRO 105 Ca 0.16 2.15 -0.11 0.00 0.04 0.00 0.00 61.00 63.24 2waq s PRO 105 Cb -0.24 -3.77 -0.05 0.00 0.04 0.00 0.00 34.50 30.48 2waq s PRO 105 CO -0.03 -0.74 0.17 0.08 0.04 0.00 0.00 177.00 176.52 2waq s VAL 106 N 3.22 5.35 -0.50 -0.36 1.01 0.15 -4.60 120.40 124.67 2waq s VAL 106 Ca 0.70 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.92 2waq s VAL 106 Cb -0.34 -3.51 0.14 0.00 0.00 0.00 0.00 36.38 32.67 2waq s VAL 106 CO 0.29 0.34 0.28 -1.61 0.00 0.00 0.00 175.10 174.40 2waq s GLU 107 N 1.08 1.66 0.00 2.72 2.02 -1.26 -1.27 118.70 123.65 2waq s GLU 107 Ca 0.08 -2.40 0.00 0.00 0.02 0.00 0.00 54.97 52.67 2waq s GLU 107 Cb -0.14 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.32 2waq s GLU 107 CO 0.05 -1.17 0.00 0.09 0.02 0.00 0.00 175.26 174.25 2waq n ASN 108 N 3.16 0.00 -1.18 -0.19 3.02 0.12 -4.75 115.26 115.45 2waq n ASN 108 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 2waq n ASN 108 Cb 0.34 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 2waq n ASN 108 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2waq n ASN 109 N 1.70 0.43 -4.07 6.41 6.94 -1.26 -5.03 115.26 120.37 2waq n ASN 109 Ca 0.00 -0.97 -0.24 0.00 -0.02 0.00 0.00 54.58 53.35 2waq n ASN 109 Cb 0.00 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.26 2waq n ASN 109 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 2waq s ILE 110 N -1.75 1.16 0.00 1.53 -4.36 -1.26 -4.45 121.20 112.07 2waq s ILE 110 Ca 0.00 -0.55 0.00 0.00 -0.26 0.00 0.00 60.65 59.84 2waq s ILE 110 Cb 0.00 -1.02 0.00 0.00 1.25 0.00 0.00 42.46 42.69 2waq s ILE 110 CO 0.00 0.35 0.00 1.21 0.24 0.00 0.00 174.94 176.74 2waq n GLU 111 N 3.37 0.00 0.00 0.37 0.00 -1.26 -5.10 120.64 118.03 2waq n GLU 111 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.97 2waq n GLU 111 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.97 2waq n GLU 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2waq n ALA 112 N 1.06 0.00 -0.06 4.31 0.00 -1.26 -4.56 120.51 120.00 2waq n ALA 112 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2waq n ALA 112 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2waq n ALA 112 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2waq n GLU 113 N 3.20 -0.17 -2.85 0.00 1.02 -1.26 -4.94 120.64 115.64 2waq n GLU 113 Ca 0.00 0.13 -0.43 0.00 -0.02 0.00 0.00 57.16 56.84 2waq n GLU 113 Cb 0.00 -0.15 -0.04 0.00 -0.02 0.00 0.00 31.44 31.24 2waq n GLU 113 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2waq s PRO 114 N -5.42 3.17 -0.74 3.49 0.05 -1.26 -5.12 135.00 129.17 2waq s PRO 114 Ca 0.00 -0.66 -0.23 0.00 0.05 0.00 0.00 61.00 60.16 2waq s PRO 114 Cb 0.00 -4.17 0.07 0.00 0.05 0.00 0.00 34.50 30.44 2waq s PRO 114 CO 0.00 -1.71 1.10 -2.00 0.05 0.00 0.00 177.00 174.44 2waq s GLU 115 N 4.03 3.23 -1.05 4.56 2.56 -1.26 -4.96 118.70 125.81 2waq s GLU 115 Ca 0.24 -0.83 -0.16 0.00 0.00 0.00 0.00 54.97 54.22 2waq s GLU 115 Cb -0.15 -4.40 0.15 0.00 2.00 0.00 0.00 34.13 31.73 2waq s GLU 115 CO 0.13 -1.93 1.24 -1.21 -0.56 0.00 0.00 175.26 172.93 2waq s GLU 116 N 4.38 3.82 0.02 4.30 2.02 -1.26 -1.94 118.70 130.05 2waq s GLU 116 Ca 0.29 -2.17 -0.26 0.00 0.02 0.00 0.00 54.97 52.84 2waq s GLU 116 Cb -0.12 -4.95 -0.05 0.00 0.10 0.00 0.00 34.13 29.11 2waq s GLU 116 CO 0.07 -1.74 0.80 0.08 0.02 0.00 0.00 175.26 174.49 2waq s VAL 117 N 2.02 4.79 -0.26 2.63 1.01 -0.34 -4.83 120.40 125.42 2waq s VAL 117 Ca 0.36 1.69 -0.19 0.00 0.00 0.00 0.00 61.98 63.85 2waq s VAL 117 Cb -0.04 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 2waq s VAL 117 CO -0.05 0.31 0.56 -0.47 0.00 0.00 0.00 175.10 175.45 2waq s TYR 118 N 0.26 3.28 -0.21 5.22 6.14 -1.26 0.35 117.35 131.13 2waq s TYR 118 Ca 0.41 0.71 0.13 0.00 0.64 0.00 0.00 57.07 58.96 2waq s TYR 118 Cb -0.20 -2.77 -0.22 0.00 0.42 0.00 0.00 41.96 39.19 2waq s TYR 118 CO 0.23 -0.29 -0.01 -0.89 0.64 0.00 0.00 175.55 175.23 2waq n ILE 119 N 5.16 1.36 -1.74 3.14 2.08 -0.95 -4.73 119.36 123.68 2waq n ILE 119 Ca -0.03 -0.75 0.00 0.00 0.56 0.00 0.00 62.75 62.53 2waq n ILE 119 Cb 0.49 -0.73 0.00 0.00 -0.75 0.00 0.00 39.64 38.65 2waq n ILE 119 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2waq n GLY 120 N 1.94 -0.52 3.30 7.39 0.00 -1.26 -4.29 105.19 111.76 2waq n GLY 120 Ca -0.35 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 2waq n GLY 120 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2waq s ASP 121 N -4.00 2.91 -0.21 1.61 -0.00 -1.26 -0.84 116.67 114.88 2waq s ASP 121 Ca 0.00 -0.49 -0.04 0.00 -0.00 0.00 0.00 52.55 52.02 2waq s ASP 121 Cb 0.00 -0.30 -0.01 0.00 -0.00 0.00 0.00 42.92 42.61 2waq s ASP 121 CO 0.00 0.28 -0.04 -0.22 -0.00 0.00 0.00 175.17 175.19 2waq s LEU 122 N -0.80 2.94 0.20 1.23 2.96 -1.05 -4.59 118.68 119.57 2waq s LEU 122 Ca 0.10 -0.35 -0.32 0.00 -0.22 0.00 0.00 54.13 53.34 2waq s LEU 122 Cb -0.10 -1.75 -0.12 0.00 0.50 0.00 0.00 46.19 44.73 2waq s LEU 122 CO 0.00 0.01 1.74 -2.84 -1.32 0.00 0.00 176.35 173.93 2waq s PRO 123 N 1.32 4.13 -0.24 0.98 0.02 -1.26 -2.45 135.00 137.50 2waq s PRO 123 Ca 0.04 2.61 -0.11 0.00 0.02 0.00 0.00 61.00 63.55 2waq s PRO 123 Cb -0.14 -3.14 -0.05 0.00 0.02 0.00 0.00 34.50 31.19 2waq s PRO 123 CO -0.02 -0.76 0.20 0.42 -0.33 0.00 0.00 177.00 176.51 2waq s ILE 124 N 1.37 5.33 0.18 2.83 -1.09 0.89 -4.95 121.20 125.76 2waq s ILE 124 Ca 0.76 0.27 -0.30 0.00 -2.23 0.00 0.00 60.65 59.14 2waq s ILE 124 Cb -0.49 -3.54 -0.08 0.00 -1.58 0.00 0.00 42.46 36.76 2waq s ILE 124 CO 0.33 0.32 1.27 -0.32 -1.23 0.00 0.00 174.94 175.31 2waq s MET 125 N 1.13 4.42 0.48 2.79 1.75 -1.26 -4.60 119.30 124.01 2waq s MET 125 Ca 0.09 1.98 -0.24 0.00 -1.25 0.00 0.00 55.69 56.28 2waq s MET 125 Cb -0.14 -3.22 -0.07 0.00 2.84 0.00 0.00 34.83 34.24 2waq s MET 125 CO 0.05 -0.22 1.34 -0.51 -0.65 0.00 0.00 175.02 175.04 2waq s LEU 126 N -0.00 4.01 -1.54 4.11 1.02 -0.92 -3.08 118.68 122.27 2waq s LEU 126 Ca 0.56 2.73 0.00 0.00 0.02 0.00 0.00 54.13 57.44 2waq s LEU 126 Cb -0.35 -4.11 0.00 0.00 0.02 0.00 0.00 46.19 41.75 2waq s LEU 126 CO 0.37 -1.25 0.00 0.29 0.02 0.00 0.00 176.35 175.77 2waq n LYS 127 N -0.53 -1.54 -2.36 1.70 5.02 -1.26 -3.36 118.16 115.83 2waq n LYS 127 Ca 0.07 0.95 -0.24 0.00 -2.02 0.00 0.00 58.31 57.07 2waq n LYS 127 Cb 0.44 -5.28 0.07 0.00 -0.02 0.00 0.00 35.03 30.24 2waq n LYS 127 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2waq s SER 128 N -2.40 4.75 0.18 4.39 1.04 -1.18 -4.75 113.70 115.74 2waq s SER 128 Ca 0.00 0.18 -0.15 0.00 0.48 0.00 0.00 55.95 56.47 2waq s SER 128 Cb 0.00 -0.82 0.16 0.00 0.10 0.00 0.00 66.02 65.46 2waq s SER 128 CO 0.00 -1.59 1.68 0.00 0.98 0.00 0.00 173.24 174.31 2waq h ALA 129 N -0.47 0.40 0.00 5.32 0.00 -1.90 -1.83 119.26 120.78 2waq h ALA 129 Ca -0.42 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 2waq h ALA 129 Cb 1.30 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 2waq h ALA 129 CO 0.53 -0.40 -0.24 0.97 0.00 0.00 0.00 179.25 180.11 2waq h ILE 130 N 0.08 0.52 -2.77 0.00 6.09 -1.95 -3.43 117.51 116.05 2waq h ILE 130 Ca 0.23 -1.31 -0.54 0.00 -1.37 0.00 0.00 64.86 61.87 2waq h ILE 130 Cb 0.34 1.92 -0.00 0.00 0.47 0.00 0.00 36.82 39.55 2waq h ILE 130 CO -0.41 0.24 0.95 -0.62 -3.07 0.00 0.00 178.15 175.25 2waq s ASP 131 N -6.22 6.75 0.27 2.19 3.68 -0.69 -4.91 116.67 117.74 2waq s ASP 131 Ca 0.02 2.19 0.01 0.00 2.13 0.00 0.00 52.55 56.90 2waq s ASP 131 Cb 0.09 -2.55 0.58 0.00 -1.45 0.00 0.00 42.92 39.59 2waq s ASP 131 CO 0.66 -0.82 1.77 -0.65 0.13 0.00 0.00 175.17 176.25 2waq h PRO 132 N 8.51 0.66 -0.05 4.34 0.11 -1.84 -2.54 132.00 141.20 2waq h PRO 132 Ca -0.38 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.70 2waq h PRO 132 Cb 1.18 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 2waq h PRO 132 CO 0.93 0.44 0.27 0.82 -0.21 0.00 0.00 178.00 180.25 2waq h ILE 133 N 0.68 0.07 -0.27 4.15 1.08 -1.91 -1.97 117.51 119.34 2waq h ILE 133 Ca 0.49 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.91 2waq h ILE 133 Cb 0.70 0.74 -0.02 0.00 -3.07 0.00 0.00 36.82 35.17 2waq h ILE 133 CO -0.36 0.00 -0.06 -1.28 -0.69 0.00 0.00 178.15 175.76 2waq h SER 134 N 0.00 0.41 1.22 1.72 0.87 -1.68 -2.91 113.55 113.17 2waq h SER 134 Ca 0.02 -0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.42 2waq h SER 134 Cb 0.56 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 2waq h SER 134 CO -0.00 0.52 -0.82 1.56 -0.53 0.00 0.00 176.83 177.56 2waq h GLN 135 N 0.41 0.00 -6.71 2.24 1.08 -1.57 -3.48 115.11 107.09 2waq h GLN 135 Ca 0.09 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 56.71 2waq h GLN 135 Cb 0.37 0.00 0.14 0.00 -0.05 0.00 0.00 27.48 27.94 2waq h GLN 135 CO 0.02 0.24 0.17 0.66 -0.95 0.00 0.00 178.83 178.96 2waq n TYR 136 N -2.97 1.12 -1.70 2.96 4.02 -1.10 -5.01 117.16 114.48 2waq n TYR 136 Ca -0.02 0.52 -0.30 0.00 -0.01 0.00 0.00 57.90 58.09 2waq n TYR 136 Cb 0.69 -2.21 0.08 0.00 -0.02 0.00 0.00 39.34 37.88 2waq n TYR 136 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2waq s THR 137 N -1.34 3.05 0.38 -0.72 -1.32 -1.26 -4.93 115.64 109.50 2waq s THR 137 Ca 0.66 0.34 0.10 0.00 -1.21 0.00 0.00 61.69 61.58 2waq s THR 137 Cb -0.51 -3.20 0.15 0.00 -1.51 0.00 0.00 72.50 67.43 2waq s THR 137 CO 0.54 -0.45 1.90 0.25 -2.21 0.00 0.00 174.62 174.66 2waq h LEU 138 N -0.96 0.21 -0.47 9.08 6.46 -2.00 -1.84 115.31 125.79 2waq h LEU 138 Ca -0.46 -0.05 -0.07 0.00 -0.12 0.00 0.00 57.88 57.19 2waq h LEU 138 Cb 1.27 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.14 2waq h LEU 138 CO 0.62 0.39 -0.31 0.44 -0.62 0.00 0.00 178.44 178.95 2waq h ASP 139 N 0.20 0.00 0.03 1.25 5.19 -2.01 -3.23 116.42 117.86 2waq h ASP 139 Ca 0.04 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.28 2waq h ASP 139 Cb 0.41 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 2waq h ASP 139 CO 0.03 0.31 -0.57 0.11 -3.12 0.00 0.00 179.24 175.99 2waq h LYS 140 N 0.00 0.56 -0.01 3.56 1.57 -1.71 -2.40 116.57 118.14 2waq h LYS 140 Ca -0.00 -0.37 -0.05 0.00 -1.87 0.00 0.00 60.65 58.37 2waq h LYS 140 Cb 1.06 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 2waq h LYS 140 CO 0.04 0.98 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.62 2waq h LEU 141 N 0.42 0.02 -0.08 2.94 4.07 -1.53 0.72 115.31 121.86 2waq h LEU 141 Ca 0.00 -0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 2waq h LEU 141 Cb 1.13 -0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.86 2waq h LEU 141 CO 0.11 0.23 -0.07 0.40 -1.08 0.00 0.00 178.44 178.03 2waq h ILE 142 N 0.02 1.36 -0.85 1.22 1.08 -1.57 -0.95 117.51 117.82 2waq h ILE 142 Ca 0.00 -1.20 0.08 0.00 -0.39 0.00 0.00 64.86 63.35 2waq h ILE 142 Cb 0.38 1.98 -0.07 0.00 -3.07 0.00 0.00 36.82 36.05 2waq h ILE 142 CO 0.03 0.34 0.51 -0.33 -0.69 0.00 0.00 178.15 178.00 2waq h GLU 143 N -0.23 0.87 -0.00 2.37 5.08 -1.00 -2.55 114.58 119.11 2waq h GLU 143 Ca 0.01 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2waq h GLU 143 Cb 0.57 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2waq h GLU 143 CO 0.02 0.57 0.00 0.82 -1.00 0.00 0.00 179.01 179.42 2waq h ILE 144 N 0.89 1.12 0.00 3.13 1.08 -0.86 -3.48 117.51 119.39 2waq h ILE 144 Ca 0.39 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.50 2waq h ILE 144 Cb 0.26 1.35 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 2waq h ILE 144 CO -0.21 0.09 0.00 0.61 -0.69 0.00 0.00 178.15 177.96 2waq n GLY 145 N -0.69 1.65 3.12 5.37 0.00 -0.44 -4.84 105.19 109.37 2waq n GLY 145 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 2waq n GLY 145 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2waq s GLU 146 N 0.00 0.77 0.21 1.61 -1.05 -0.72 -4.94 118.70 114.58 2waq s GLU 146 Ca 0.00 -1.31 -0.30 0.00 -0.15 0.00 0.00 54.97 53.21 2waq s GLU 146 Cb 0.00 0.23 -0.08 0.00 -0.44 0.00 0.00 34.13 33.84 2waq s GLU 146 CO 0.00 -0.19 1.01 0.16 0.95 0.00 0.00 175.26 177.20 2waq s ASP 147 N -2.98 7.46 0.05 0.83 3.84 -1.26 -4.13 116.67 120.48 2waq s ASP 147 Ca 0.15 2.03 0.23 0.00 -0.00 0.00 0.00 52.55 54.95 2waq s ASP 147 Cb 0.08 -2.61 0.94 0.00 -1.38 0.00 0.00 42.92 39.94 2waq s ASP 147 CO -0.04 -0.03 1.72 -0.81 -0.00 0.00 0.00 175.17 176.01 2waq n PRO 148 N 1.83 0.05 0.15 2.11 -0.04 -1.26 -2.85 135.00 134.99 2waq n PRO 148 Ca -0.00 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.74 2waq n PRO 148 Cb 0.47 -1.57 0.23 0.00 -0.04 0.00 0.00 33.50 32.58 2waq n PRO 148 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2waq h LYS 149 N 0.00 0.00 -6.52 0.54 1.57 -2.02 -3.46 116.57 106.69 2waq h LYS 149 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 2waq h LYS 149 Cb 0.42 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.79 2waq h LYS 149 CO 0.00 0.00 0.77 -3.47 -0.57 0.00 0.00 179.45 176.18 2waq n ASP 150 N -2.69 3.05 0.09 0.86 -0.08 -1.13 -4.92 116.55 111.73 2waq n ASP 150 Ca 0.04 1.09 -0.11 0.00 -1.51 0.00 0.00 54.79 54.30 2waq n ASP 150 Cb 0.49 -1.43 -0.08 0.00 2.34 0.00 0.00 41.12 42.44 2waq n ASP 150 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2waq h PRO 151 N 5.70 0.20 0.00 -0.67 0.13 -1.91 -3.50 132.00 131.95 2waq h PRO 151 Ca -0.45 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 2waq h PRO 151 Cb 1.26 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2waq h PRO 151 CO 0.87 1.08 0.00 0.41 -0.23 0.00 0.00 178.00 180.13 2waq n GLY 152 N 1.22 -0.53 1.82 1.56 0.00 -1.26 -4.86 105.19 103.13 2waq n GLY 152 Ca -0.05 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.66 2waq n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2waq n GLY 153 N 0.00 0.78 3.41 -0.02 0.00 -1.21 -5.00 105.19 103.15 2waq n GLY 153 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2waq n GLY 153 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2waq s TYR 154 N -2.87 1.91 0.29 1.61 -0.85 -1.26 -4.65 117.35 111.53 2waq s TYR 154 Ca 0.00 -0.67 0.09 0.00 -0.52 0.00 0.00 57.07 55.97 2waq s TYR 154 Cb 0.00 -1.05 -0.04 0.00 0.38 0.00 0.00 41.96 41.25 2waq s TYR 154 CO 0.00 0.30 0.09 -0.06 -1.52 0.00 0.00 175.55 174.36 2waq s PHE 155 N -3.00 2.77 -0.25 -3.49 0.08 0.27 -2.17 117.98 112.18 2waq s PHE 155 Ca 0.28 -0.27 -0.00 0.00 0.12 0.00 0.00 56.93 57.06 2waq s PHE 155 Cb 0.03 -1.41 0.04 0.00 -0.57 0.00 0.00 43.02 41.10 2waq s PHE 155 CO 0.11 0.49 -0.07 0.42 -0.10 0.00 0.00 175.22 176.06 2waq s ILE 156 N -2.33 2.66 -0.13 0.64 1.01 -1.26 0.48 121.20 122.27 2waq s ILE 156 Ca 0.34 -1.22 0.03 0.00 0.00 0.00 0.00 60.65 59.80 2waq s ILE 156 Cb -0.05 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 40.02 2waq s ILE 156 CO 0.22 0.13 -0.22 0.68 0.00 0.00 0.00 174.94 175.75 2waq s VAL 157 N 1.26 2.12 -1.53 2.92 -7.23 -0.74 -1.20 120.40 115.99 2waq s VAL 157 Ca -0.02 -0.97 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 2waq s VAL 157 Cb -0.18 -1.84 0.00 0.00 0.56 0.00 0.00 36.38 34.92 2waq s VAL 157 CO -0.05 0.55 0.00 0.59 -0.31 0.00 0.00 175.10 175.88 2waq n ASN 158 N 3.97 -4.53 0.00 4.85 3.02 -1.15 -2.30 115.26 119.12 2waq n ASN 158 Ca -0.20 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 2waq n ASN 158 Cb 0.52 -3.95 0.00 0.00 -0.61 0.00 0.00 39.78 35.74 2waq n ASN 158 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2waq n GLY 159 N -0.61 2.99 3.82 7.41 0.00 -0.55 -4.36 105.19 113.89 2waq n GLY 159 Ca -0.18 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 2waq n GLY 159 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2waq s SER 160 N 0.80 7.00 0.24 1.61 1.04 -0.97 -4.39 113.70 119.03 2waq s SER 160 Ca 0.00 1.24 -0.30 0.00 0.48 0.00 0.00 55.95 57.37 2waq s SER 160 Cb 0.00 -2.35 -0.09 0.00 0.10 0.00 0.00 66.02 63.68 2waq s SER 160 CO 0.00 0.20 1.03 -1.61 0.98 0.00 0.00 173.24 173.84 2waq s GLU 161 N -1.44 4.72 -0.02 4.02 2.02 -1.26 -1.79 118.70 124.96 2waq s GLU 161 Ca 0.33 1.65 0.01 0.00 0.02 0.00 0.00 54.97 56.98 2waq s GLU 161 Cb -0.18 -3.25 0.01 0.00 0.10 0.00 0.00 34.13 30.81 2waq s GLU 161 CO 0.19 0.32 -0.04 0.50 0.02 0.00 0.00 175.26 176.25 2waq s ARG 162 N -1.11 0.48 -0.07 1.61 6.06 0.18 -3.56 118.95 122.54 2waq s ARG 162 Ca 0.44 -0.10 0.02 0.00 -2.50 0.00 0.00 55.73 53.59 2waq s ARG 162 Cb -0.29 -0.52 0.01 0.00 0.06 0.00 0.00 34.95 34.22 2waq s ARG 162 CO 0.36 0.01 -0.14 0.54 -2.50 0.00 0.00 175.30 173.57 2waq s VAL 163 N 0.39 1.25 -0.25 7.11 0.11 -0.20 0.94 120.40 129.74 2waq s VAL 163 Ca -0.04 -0.54 -0.29 0.00 -2.93 0.00 0.00 61.98 58.17 2waq s VAL 163 Cb -0.08 -1.13 0.01 0.00 -1.53 0.00 0.00 36.38 33.65 2waq s VAL 163 CO -0.00 0.38 1.07 -0.63 -3.33 0.00 0.00 175.10 172.59 2waq s ILE 164 N 0.64 4.59 0.14 7.04 1.01 -1.26 -1.64 121.20 131.71 2waq s ILE 164 Ca -0.15 1.89 -0.06 0.00 0.00 0.00 0.00 60.65 62.33 2waq s ILE 164 Cb -0.16 -4.32 -0.06 0.00 0.01 0.00 0.00 42.46 37.94 2waq s ILE 164 CO 0.04 -0.27 0.40 0.54 0.00 0.00 0.00 174.94 175.65 2waq s VAL 165 N 3.38 5.13 0.23 2.92 0.11 -1.04 -4.65 120.40 126.49 2waq s VAL 165 Ca 0.45 0.17 -0.30 0.00 -2.93 0.00 0.00 61.98 59.37 2waq s VAL 165 Cb -0.15 -3.62 -0.09 0.00 -1.53 0.00 0.00 36.38 30.98 2waq s VAL 165 CO 0.10 0.09 1.36 0.28 -3.33 0.00 0.00 175.10 173.60 2waq s THR 166 N -1.61 2.92 -0.08 5.04 -1.32 -1.22 -4.83 115.64 114.53 2waq s THR 166 Ca 0.40 0.78 -0.03 0.00 -1.21 0.00 0.00 61.69 61.63 2waq s THR 166 Cb -0.12 -3.50 -0.03 0.00 -1.51 0.00 0.00 72.50 67.33 2waq s THR 166 CO 0.23 0.13 0.03 -1.10 -2.21 0.00 0.00 174.62 171.70 2waq s GLN 167 N -0.40 3.07 -0.31 7.08 -1.52 -0.84 -1.28 119.66 125.45 2waq s GLN 167 Ca 0.57 -0.37 -0.09 0.00 -1.95 0.00 0.00 55.36 53.52 2waq s GLN 167 Cb -0.39 -2.87 -0.00 0.00 -0.22 0.00 0.00 33.01 29.53 2waq s GLN 167 CO 0.42 0.71 0.15 -2.00 -0.25 0.00 0.00 175.29 174.32 2waq s GLU 168 N -1.00 3.27 0.14 2.91 2.12 0.17 -0.88 118.70 125.44 2waq s GLU 168 Ca 0.15 -0.76 0.07 0.00 0.36 0.00 0.00 54.97 54.79 2waq s GLU 168 Cb -0.11 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.68 2waq s GLU 168 CO 0.04 -0.44 -0.07 -0.51 -0.54 0.00 0.00 175.26 173.74 2waq s ASP 169 N 1.60 4.49 0.12 -1.70 1.11 0.69 -0.85 116.67 122.14 2waq s ASP 169 Ca 0.04 -0.42 -0.31 0.00 0.18 0.00 0.00 52.55 52.04 2waq s ASP 169 Cb -0.17 -0.88 -0.08 0.00 1.07 0.00 0.00 42.92 42.86 2waq s ASP 169 CO 0.06 0.14 1.38 -0.22 1.18 0.00 0.00 175.17 177.71 2waq s LEU 170 N -2.55 4.37 0.27 1.23 0.20 -1.26 -0.81 118.68 120.13 2waq s LEU 170 Ca 0.24 2.33 -0.29 0.00 0.69 0.00 0.00 54.13 57.10 2waq s LEU 170 Cb -0.10 -3.59 -0.14 0.00 -0.43 0.00 0.00 46.19 41.93 2waq s LEU 170 CO 0.16 -0.65 1.13 0.00 -0.29 0.00 0.00 176.35 176.70 2waq n ALA 171 N 3.89 0.13 -1.91 5.97 0.00 -0.04 -4.83 120.51 123.71 2waq n ALA 171 Ca 0.11 0.40 -0.28 0.00 0.00 0.00 0.00 53.44 53.67 2waq n ALA 171 Cb 0.42 -2.09 0.07 0.00 0.00 0.00 0.00 19.45 17.85 2waq n ALA 171 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2waq s PRO 172 N -1.28 2.22 0.00 0.00 0.04 -1.26 -4.62 135.00 130.10 2waq s PRO 172 Ca 0.62 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.73 2waq s PRO 172 Cb -0.69 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 31.81 2waq s PRO 172 CO 0.58 -1.37 0.00 0.09 0.04 0.00 0.00 177.00 176.34 2waq n ASN 173 N -3.13 0.00 -4.54 6.66 3.02 0.33 -4.94 115.26 112.66 2waq n ASN 173 Ca 0.08 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.19 2waq n ASN 173 Cb 0.60 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.76 2waq n ASN 173 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2waq n ARG 174 N 0.00 0.99 -2.74 3.52 1.85 -1.26 -4.28 116.66 114.75 2waq n ARG 174 Ca 0.00 0.35 -0.43 0.00 -1.00 0.00 0.00 57.85 56.78 2waq n ARG 174 Cb 0.00 -1.70 -0.03 0.00 -1.05 0.00 0.00 32.46 29.69 2waq n ARG 174 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2waq s VAL 175 N -1.20 4.74 -0.24 8.89 1.01 -1.26 -4.43 120.40 127.90 2waq s VAL 175 Ca 0.61 1.89 -0.03 0.00 0.00 0.00 0.00 61.98 64.45 2waq s VAL 175 Cb -0.67 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 31.47 2waq s VAL 175 CO 0.58 -0.12 -0.04 -0.76 0.00 0.00 0.00 175.10 174.76 2waq s LEU 176 N 2.94 3.12 0.33 3.92 1.43 -1.01 -4.93 118.68 124.48 2waq s LEU 176 Ca 0.42 -0.68 -0.09 0.00 -1.03 0.00 0.00 54.13 52.75 2waq s LEU 176 Cb -0.15 -1.71 -0.06 0.00 0.03 0.00 0.00 46.19 44.29 2waq s LEU 176 CO 0.08 -0.09 0.66 -0.69 0.23 0.00 0.00 176.35 176.53 2waq s VAL 177 N 1.40 4.88 -0.03 -1.59 1.01 -1.26 0.33 120.40 125.14 2waq s VAL 177 Ca 0.03 0.42 -0.11 0.00 0.00 0.00 0.00 61.98 62.31 2waq s VAL 177 Cb -0.16 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.53 2waq s VAL 177 CO -0.04 -0.35 0.24 -0.62 0.00 0.00 0.00 175.10 174.33 2waq s ASP 178 N -2.97 -0.14 -0.35 3.32 3.68 0.13 -2.30 116.67 118.05 2waq s ASP 178 Ca 0.48 0.09 -0.11 0.00 2.13 0.00 0.00 52.55 55.15 2waq s ASP 178 Cb -0.11 0.33 0.01 0.00 -1.45 0.00 0.00 42.92 41.71 2waq s ASP 178 CO 0.28 -0.34 0.19 -0.89 0.13 0.00 0.00 175.17 174.54 2waq s THR 179 N -1.01 4.65 -0.69 1.71 2.01 -1.26 -1.23 115.64 119.81 2waq s THR 179 Ca -0.11 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.26 2waq s THR 179 Cb -0.05 -3.51 0.34 0.00 0.01 0.00 0.00 72.50 69.29 2waq s THR 179 CO 0.03 -0.12 1.21 0.61 -0.69 0.00 0.00 174.62 175.66 2waq n GLY 180 N 5.00 5.78 2.20 4.40 0.00 0.45 -4.93 105.19 118.09 2waq n GLY 180 Ca -0.12 -2.73 -0.23 0.00 0.00 0.00 0.00 46.02 42.94 2waq n GLY 180 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2waq n LYS 181 N -0.23 2.57 -0.02 1.61 5.02 -1.25 -4.43 118.16 121.43 2waq n LYS 181 Ca 0.36 -1.46 -0.16 0.00 -2.02 0.00 0.00 58.31 55.04 2waq n LYS 181 Cb 0.37 -2.33 -0.11 0.00 -0.02 0.00 0.00 35.03 32.95 2waq n LYS 181 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2waq h THR 182 N 2.57 1.49 0.00 -0.18 2.02 -1.92 -3.48 112.91 113.42 2waq h THR 182 Ca 0.47 -1.95 0.00 0.00 0.77 0.00 0.00 66.41 65.70 2waq h THR 182 Cb 0.84 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.89 2waq h THR 182 CO 0.96 0.55 0.00 0.61 0.37 0.00 0.00 175.52 178.01 2waq n GLY 183 N 1.00 -0.02 1.01 2.16 0.00 -1.26 -5.18 105.19 102.90 2waq n GLY 183 Ca -0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 2waq n GLY 183 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2waq n SER 184 N 0.00 -0.39 -0.18 1.61 3.41 -1.26 -5.05 113.62 111.76 2waq n SER 184 Ca 0.00 -1.59 0.00 0.00 -0.26 0.00 0.00 58.87 57.02 2waq n SER 184 Cb 0.00 0.74 0.25 0.00 -0.26 0.00 0.00 64.21 64.93 2waq n SER 184 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2waq h ASN 185 N 0.60 0.81 -2.99 4.04 4.21 -2.01 -3.40 115.58 116.84 2waq h ASN 185 Ca -0.08 -0.05 -0.57 0.00 1.21 0.00 0.00 56.30 56.81 2waq h ASN 185 Cb 0.36 -0.20 -0.05 0.00 -1.12 0.00 0.00 38.32 37.31 2waq h ASN 185 CO 0.11 0.63 0.85 -0.63 -1.29 0.00 0.00 177.43 177.10 2waq s ILE 186 N -5.68 4.46 -0.04 2.81 -1.09 -1.26 -4.43 121.20 115.97 2waq s ILE 186 Ca -0.10 1.77 -0.04 0.00 -2.23 0.00 0.00 60.65 60.04 2waq s ILE 186 Cb 0.17 -4.14 -0.03 0.00 -1.58 0.00 0.00 42.46 36.89 2waq s ILE 186 CO 0.78 -0.15 -0.09 0.41 -1.23 0.00 0.00 174.94 174.66 2waq n THR 187 N 5.32 0.66 -4.91 2.92 -1.04 -1.26 -4.67 114.28 111.29 2waq n THR 187 Ca 0.13 0.03 -0.26 0.00 -2.04 0.00 0.00 64.05 61.90 2waq n THR 187 Cb 0.45 -1.65 -0.15 0.00 -1.82 0.00 0.00 70.33 67.16 2waq n THR 187 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2waq s HIS 188 N -2.16 1.80 0.06 -1.42 3.76 -1.26 -0.41 115.29 115.66 2waq s HIS 188 Ca -0.09 -0.35 -0.06 0.00 -0.15 0.00 0.00 55.06 54.41 2waq s HIS 188 Cb 0.03 -1.14 -0.01 0.00 1.11 0.00 0.00 32.58 32.56 2waq s HIS 188 CO 0.12 -0.00 0.11 -0.08 -0.85 0.00 0.00 174.74 174.03 2waq s THR 189 N -0.54 0.15 0.09 1.30 -1.32 -0.37 -2.19 115.64 112.76 2waq s THR 189 Ca 0.08 -1.25 0.09 0.00 -1.21 0.00 0.00 61.69 59.39 2waq s THR 189 Cb -0.08 -1.16 -0.03 0.00 -1.51 0.00 0.00 72.50 69.71 2waq s THR 189 CO -0.00 -0.69 -0.24 0.00 -2.21 0.00 0.00 174.62 171.48 2waq s ALA 190 N -3.27 2.06 -0.33 11.08 0.00 -1.25 0.22 121.76 130.28 2waq s ALA 190 Ca 0.01 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 50.71 2waq s ALA 190 Cb 0.03 -0.35 0.10 0.00 0.00 0.00 0.00 23.12 22.89 2waq s ALA 190 CO -0.08 0.46 0.06 0.21 0.00 0.00 0.00 175.76 176.40 2waq s LYS 191 N -1.67 1.30 -0.35 0.00 2.20 0.15 -3.08 119.74 118.28 2waq s LYS 191 Ca 0.10 -1.62 -0.11 0.00 -0.36 0.00 0.00 55.97 53.99 2waq s LYS 191 Cb -0.10 -2.85 0.01 0.00 -1.51 0.00 0.00 37.83 33.39 2waq s LYS 191 CO 0.04 -0.93 0.19 0.42 -0.36 0.00 0.00 175.35 174.71 2waq s ILE 192 N 1.12 4.63 -0.35 5.43 1.01 -0.43 -2.41 121.20 130.20 2waq s ILE 192 Ca 0.10 -0.67 -0.08 0.00 0.00 0.00 0.00 60.65 59.99 2waq s ILE 192 Cb -0.19 -3.50 0.03 0.00 0.01 0.00 0.00 42.46 38.82 2waq s ILE 192 CO -0.13 -0.12 0.15 -0.63 0.00 0.00 0.00 174.94 174.21 2waq s ILE 193 N 1.59 4.14 -0.19 2.92 -1.09 -1.26 -2.05 121.20 125.25 2waq s ILE 193 Ca 0.03 -0.97 -0.07 0.00 -2.23 0.00 0.00 60.65 57.41 2waq s ILE 193 Cb -0.18 -3.31 -0.04 0.00 -1.58 0.00 0.00 42.46 37.35 2waq s ILE 193 CO 0.07 -0.18 0.06 -0.94 -1.23 0.00 0.00 174.94 172.72 2waq s SER 194 N 1.48 5.58 0.00 3.58 1.04 -1.15 0.12 113.70 124.35 2waq s SER 194 Ca 0.00 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2waq s SER 194 Cb -0.19 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 63.97 2waq s SER 194 CO 0.04 0.15 0.00 -1.54 0.98 0.00 0.00 173.24 172.88 2waq n SER 195 N 3.68 0.00 -3.66 7.02 3.41 -1.26 -2.14 113.62 120.67 2waq n SER 195 Ca -0.16 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.38 2waq n SER 195 Cb 0.52 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.40 2waq n SER 195 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2waq s THR 196 N 0.00 -0.25 -0.12 6.66 2.01 -1.26 -4.20 115.64 118.49 2waq s THR 196 Ca 0.00 0.03 0.15 0.00 0.31 0.00 0.00 61.69 62.19 2waq s THR 196 Cb 0.00 -0.89 0.27 0.00 0.01 0.00 0.00 72.50 71.89 2waq s THR 196 CO 0.00 0.01 1.14 0.00 -0.69 0.00 0.00 174.62 175.08 2waq n ALA 197 N 4.61 2.41 -3.56 7.40 0.00 0.51 -5.03 120.51 126.86 2waq n ALA 197 Ca -0.18 -2.48 -0.24 0.00 0.00 0.00 0.00 53.44 50.54 2waq n ALA 197 Cb 0.56 -0.40 0.03 0.00 0.00 0.00 0.00 19.45 19.64 2waq n ALA 197 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2waq n ARG 200 N -1.14 -1.35 -3.84 0.00 5.12 -1.26 -4.58 116.66 109.61 2waq n ARG 200 Ca 0.14 0.70 -0.28 0.00 -1.93 0.00 0.00 57.85 56.48 2waq n ARG 200 Cb 0.67 -4.27 -0.12 0.00 -1.16 0.00 0.00 32.46 27.58 2waq n ARG 200 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2waq s VAL 201 N -3.31 2.56 0.00 1.55 1.01 -1.26 -5.02 120.40 115.92 2waq s VAL 201 Ca 0.33 -4.03 0.00 0.00 0.00 0.00 0.00 61.98 58.28 2waq s VAL 201 Cb -0.11 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.58 2waq s VAL 201 CO 0.84 -1.02 0.00 -0.81 0.00 0.00 0.00 175.10 174.10 2waq n PRO 202 N 2.14 3.60 -3.54 2.72 -0.04 -1.26 -5.03 135.00 133.59 2waq n PRO 202 Ca 0.20 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.55 2waq n PRO 202 Cb 0.36 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.72 2waq n PRO 202 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2waq s VAL 203 N 2.56 -0.54 -0.07 0.52 0.11 -1.26 -4.36 120.40 117.37 2waq s VAL 203 Ca 0.00 0.09 0.05 0.00 -2.93 0.00 0.00 61.98 59.19 2waq s VAL 203 Cb 0.00 -0.66 -0.01 0.00 -1.53 0.00 0.00 36.38 34.19 2waq s VAL 203 CO 0.00 -0.01 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.64 2waq s THR 204 N 2.51 1.93 0.08 5.04 2.01 -0.91 -4.99 115.64 121.32 2waq s THR 204 Ca 0.05 -0.98 -0.28 0.00 0.31 0.00 0.00 61.69 60.78 2waq s THR 204 Cb -0.14 -1.65 -0.06 0.00 0.01 0.00 0.00 72.50 70.67 2waq s THR 204 CO -0.13 0.54 0.89 -0.63 -0.69 0.00 0.00 174.62 174.60 2waq s ILE 205 N 0.05 4.60 -0.07 1.82 1.09 -1.26 -2.94 121.20 124.49 2waq s ILE 205 Ca -0.09 1.91 -0.00 0.00 -1.10 0.00 0.00 60.65 61.37 2waq s ILE 205 Cb -0.15 -4.25 0.03 0.00 -1.06 0.00 0.00 42.46 37.03 2waq s ILE 205 CO 0.05 0.33 -0.03 -1.61 -0.10 0.00 0.00 174.94 173.58 2waq s GLU 206 N 0.03 0.84 0.11 2.79 0.41 -0.87 -4.54 118.70 117.47 2waq s GLU 206 Ca 0.44 -0.02 0.04 0.00 -0.41 0.00 0.00 54.97 55.02 2waq s GLU 206 Cb -0.22 -1.05 -0.04 0.00 -1.78 0.00 0.00 34.13 31.04 2waq s GLU 206 CO 0.27 -0.23 -0.11 1.03 -0.49 0.00 0.00 175.26 175.73 2waq s ARG 207 N 1.63 0.90 -0.56 1.61 0.52 -1.13 -1.32 118.95 120.62 2waq s ARG 207 Ca 0.00 -1.20 0.04 0.00 -0.52 0.00 0.00 55.73 54.05 2waq s ARG 207 Cb -0.13 -0.61 0.16 0.00 0.52 0.00 0.00 34.95 34.89 2waq s ARG 207 CO -0.04 0.10 0.39 -0.51 0.02 0.00 0.00 175.30 175.25 2waq s LEU 208 N -2.52 3.34 0.68 2.53 1.43 -1.18 -1.53 118.68 121.43 2waq s LEU 208 Ca 0.07 -3.34 -0.14 0.00 -1.03 0.00 0.00 54.13 49.70 2waq s LEU 208 Cb -0.03 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 45.05 2waq s LEU 208 CO 0.01 -0.15 1.10 -0.54 0.23 0.00 0.00 176.35 176.99 2waq s LYS 209 N -0.59 2.74 0.00 1.70 1.02 -0.65 -3.60 119.74 120.37 2waq s LYS 209 Ca 0.25 1.28 0.00 0.00 0.02 0.00 0.00 55.97 57.53 2waq s LYS 209 Cb -0.07 -1.95 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 2waq s LYS 209 CO -0.13 -1.28 0.00 -3.47 -0.92 0.00 0.00 175.35 169.54 2waq n ASP 210 N -2.68 0.00 0.00 2.83 -0.08 -1.24 -3.49 116.55 111.88 2waq n ASP 210 Ca 0.10 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 2waq n ASP 210 Cb 0.52 -0.11 0.00 0.00 2.34 0.00 0.00 41.12 43.88 2waq n ASP 210 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2waq n GLY 211 N -0.42 0.38 3.43 0.27 0.00 -0.93 -4.14 105.19 103.78 2waq n GLY 211 Ca 0.00 -1.15 -0.44 0.00 0.00 0.00 0.00 46.02 44.43 2waq n GLY 211 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2waq s THR 212 N 0.00 5.07 0.12 2.61 2.01 -1.26 -4.50 115.64 119.69 2waq s THR 212 Ca 0.00 -2.22 0.00 0.00 0.31 0.00 0.00 61.69 59.78 2waq s THR 212 Cb 0.00 -4.76 0.00 0.00 0.01 0.00 0.00 72.50 67.75 2waq s THR 212 CO 0.00 -1.45 0.00 0.49 -0.69 0.00 0.00 174.62 172.97 2waq n PHE 213 N 5.54 -2.06 -4.74 4.92 3.01 -1.26 -4.92 117.46 117.95 2waq n PHE 213 Ca 0.27 0.33 -0.25 0.00 1.01 0.00 0.00 57.45 58.81 2waq n PHE 213 Cb 0.46 1.09 -0.16 0.00 -0.01 0.00 0.00 39.48 40.86 2waq n PHE 213 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 2waq s HIS 214 N -1.29 1.52 -0.32 1.38 3.76 -1.23 0.12 115.29 119.24 2waq s HIS 214 Ca 0.00 -0.40 -0.14 0.00 -0.15 0.00 0.00 55.06 54.37 2waq s HIS 214 Cb 0.00 -1.03 -0.02 0.00 1.11 0.00 0.00 32.58 32.64 2waq s HIS 214 CO 0.00 -0.13 0.30 0.08 -0.85 0.00 0.00 174.74 174.15 2waq s VAL 215 N -0.01 5.22 0.08 -0.90 1.01 -0.49 -1.63 120.40 123.68 2waq s VAL 215 Ca -0.02 0.08 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 2waq s VAL 215 Cb -0.10 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 2waq s VAL 215 CO 0.01 0.03 0.49 -0.94 0.00 0.00 0.00 175.10 174.69 2waq s SER 216 N 1.72 6.84 -0.17 3.32 1.04 -0.58 -3.36 113.70 122.51 2waq s SER 216 Ca 0.10 1.03 -0.08 0.00 0.48 0.00 0.00 55.95 57.48 2waq s SER 216 Cb -0.17 -2.27 0.07 0.00 0.10 0.00 0.00 66.02 63.75 2waq s SER 216 CO 0.11 0.21 0.40 0.12 0.98 0.00 0.00 173.24 175.06 2waq s PHE 217 N -1.28 -0.64 0.45 5.02 5.36 -1.26 -2.82 117.98 122.81 2waq s PHE 217 Ca 0.31 1.32 0.21 0.00 -0.96 0.00 0.00 56.93 57.81 2waq s PHE 217 Cb -0.16 0.26 1.24 0.00 -0.34 0.00 0.00 43.02 44.01 2waq s PHE 217 CO 0.17 -0.38 2.04 -1.35 -1.46 0.00 0.00 175.22 174.25 2waq h PRO 218 N 7.46 0.00 0.00 10.12 0.11 -1.99 -2.93 132.00 144.77 2waq h PRO 218 Ca -0.30 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.74 2waq h PRO 218 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2waq h PRO 218 CO 0.24 0.14 -0.35 0.00 -0.21 0.00 0.00 178.00 177.83 2waq h ALA 219 N 1.86 0.78 -3.20 -0.75 0.00 -1.97 -3.39 119.26 112.58 2waq h ALA 219 Ca -0.00 -0.30 -0.69 0.00 0.00 0.00 0.00 54.91 53.92 2waq h ALA 219 Cb 0.30 -0.05 -0.36 0.00 0.00 0.00 0.00 17.79 17.69 2waq h ALA 219 CO 0.02 0.41 -0.50 0.08 0.00 0.00 0.00 179.25 179.26 2waq s VAL 220 N -3.05 3.32 0.40 0.00 1.01 -1.11 -4.99 120.40 116.00 2waq s VAL 220 Ca 0.05 -2.49 -0.26 0.00 0.00 0.00 0.00 61.98 59.28 2waq s VAL 220 Cb 0.07 -3.25 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 2waq s VAL 220 CO 0.72 -0.76 1.28 -2.16 0.00 0.00 0.00 175.10 174.18 2waq s PRO 221 N 0.59 3.98 0.00 2.72 0.04 -1.26 -3.04 135.00 138.03 2waq s PRO 221 Ca 0.12 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.27 2waq s PRO 221 Cb -0.22 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.57 2waq s PRO 221 CO -0.04 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 176.95 2waq n GLY 222 N 0.67 3.02 0.41 0.56 0.00 -1.26 -4.94 105.19 103.66 2waq n GLY 222 Ca 0.04 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2waq n GLY 222 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2waq n LYS 223 N 0.00 -1.11 -4.40 1.61 5.02 -1.17 -5.07 118.16 113.04 2waq n LYS 223 Ca 0.00 0.85 -0.19 0.00 -2.02 0.00 0.00 58.31 56.95 2waq n LYS 223 Cb 0.00 -1.05 -0.15 0.00 -0.02 0.00 0.00 35.03 33.82 2waq n LYS 223 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2waq s ILE 224 N -4.02 0.75 0.60 -0.18 -1.09 -1.21 -5.04 121.20 111.01 2waq s ILE 224 Ca 0.00 -0.40 -0.18 0.00 -2.23 0.00 0.00 60.65 57.84 2waq s ILE 224 Cb 0.00 -0.64 -0.09 0.00 -1.58 0.00 0.00 42.46 40.15 2waq s ILE 224 CO 0.00 0.22 0.33 -2.65 -1.23 0.00 0.00 174.94 171.61 2waq n PRO 225 N 2.89 0.34 -0.12 2.79 -0.02 -1.26 -1.40 135.00 138.22 2waq n PRO 225 Ca -0.14 0.14 -0.11 0.00 -2.02 0.00 0.00 63.50 61.37 2waq n PRO 225 Cb 0.56 -1.55 0.02 0.00 -0.02 0.00 0.00 33.50 32.52 2waq n PRO 225 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2waq h PHE 226 N 0.02 1.04 -0.34 6.00 3.57 -0.62 -3.09 116.94 123.51 2waq h PHE 226 Ca -0.44 -0.27 -0.07 0.00 3.53 0.00 0.00 57.97 60.71 2waq h PHE 226 Cb 1.40 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 2waq h PHE 226 CO 0.30 1.07 -0.08 -0.24 -2.23 0.00 0.00 178.31 177.13 2waq h VAL 227 N 0.75 1.23 -0.12 1.41 3.04 -1.89 -2.11 116.25 118.57 2waq h VAL 227 Ca 0.08 -0.98 -0.12 0.00 -1.01 0.00 0.00 66.70 64.68 2waq h VAL 227 Cb 0.86 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 2waq h VAL 227 CO 0.08 0.33 -0.40 0.40 -1.01 0.00 0.00 177.57 176.96 2waq h ILE 228 N 0.52 1.37 0.00 3.17 2.04 -1.94 -2.95 117.51 119.73 2waq h ILE 228 Ca 0.10 -1.71 -0.05 0.00 1.00 0.00 0.00 64.86 64.20 2waq h ILE 228 Cb 0.46 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 2waq h ILE 228 CO 0.02 0.51 -0.25 -0.07 0.00 0.00 0.00 178.15 178.36 2waq h LEU 229 N 0.07 0.00 -0.26 1.44 3.38 -1.47 -2.88 115.31 115.59 2waq h LEU 229 Ca -0.02 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 2waq h LEU 229 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2waq h LEU 229 CO 0.08 0.25 -0.47 0.24 0.09 0.00 0.00 178.44 178.63 2waq h MET 230 N 0.00 0.78 -0.14 1.13 2.86 -1.38 -3.29 114.93 114.88 2waq h MET 230 Ca -0.00 -0.49 -0.13 0.00 -2.06 0.00 0.00 59.70 57.01 2waq h MET 230 Cb 0.62 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 2waq h MET 230 CO 0.03 1.12 -0.49 -0.09 1.06 0.00 0.00 176.91 178.54 2waq h ARG 231 N 0.52 0.37 0.00 1.72 2.43 -1.35 -3.02 114.38 115.06 2waq h ARG 231 Ca 0.01 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 58.93 2waq h ARG 231 Cb 1.08 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 2waq h ARG 231 CO 0.11 0.78 -0.20 0.00 -1.51 0.00 0.00 179.97 179.15 2waq h ALA 232 N 1.18 1.28 0.00 2.80 0.00 -1.59 -2.84 119.26 120.09 2waq h ALA 232 Ca 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2waq h ALA 232 Cb 0.97 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2waq h ALA 232 CO 0.08 0.25 -0.17 -0.07 0.00 0.00 0.00 179.25 179.34 2waq h LEU 233 N 0.00 0.00 0.00 0.00 3.38 -1.60 -3.48 115.31 113.62 2waq h LEU 233 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2waq h LEU 233 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2waq h LEU 233 CO 0.03 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.33 2waq n GLY 234 N 0.71 3.53 3.73 0.83 0.00 -1.07 -4.23 105.19 108.69 2waq n GLY 234 Ca 0.02 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 2waq n GLY 234 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2waq s ILE 235 N 0.00 2.99 0.00 -0.61 1.01 -1.25 -4.93 121.20 118.40 2waq s ILE 235 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.42 2waq s ILE 235 Cb 0.00 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.97 2waq s ILE 235 CO 0.00 0.10 0.00 0.18 0.00 0.00 0.00 174.94 175.22 2waq n LEU 236 N 3.02 0.16 -4.74 2.97 4.77 -1.26 -4.25 117.00 117.67 2waq n LEU 236 Ca 0.09 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.69 2waq n LEU 236 Cb 0.41 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.56 2waq n LEU 236 CO 0.59 -0.02 0.92 -0.89 -1.33 0.00 0.00 177.39 176.66 2waq s THR 237 N -1.99 2.13 0.31 -5.08 2.01 -1.26 -4.89 115.64 106.86 2waq s THR 237 Ca 0.00 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.11 2waq s THR 237 Cb 0.00 -3.04 0.15 0.00 0.01 0.00 0.00 72.50 69.63 2waq s THR 237 CO 0.00 -0.01 1.85 0.44 -0.69 0.00 0.00 174.62 176.21 2waq h ASP 238 N 0.86 0.59 -0.43 3.53 3.32 -2.00 -2.53 116.42 119.76 2waq h ASP 238 Ca -0.51 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.43 2waq h ASP 238 Cb 1.32 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2waq h ASP 238 CO 0.55 0.64 0.00 0.54 -1.72 0.00 0.00 179.24 179.25 2waq n ARG 239 N -4.27 2.09 -0.01 3.56 1.74 -1.26 -3.24 116.66 115.27 2waq n ARG 239 Ca 0.02 -1.69 0.02 0.00 -0.77 0.00 0.00 57.85 55.44 2waq n ARG 239 Cb 0.24 -1.39 -0.06 0.00 -1.02 0.00 0.00 32.46 30.23 2waq n ARG 239 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2waq n ASP 240 N 0.87 3.10 -0.09 0.55 9.92 -1.02 -4.08 116.55 125.80 2waq n ASP 240 Ca 0.16 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.23 2waq n ASP 240 Cb 0.41 1.22 -0.12 0.00 -0.64 0.00 0.00 41.12 41.99 2waq n ASP 240 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2waq h ILE 241 N 0.00 1.23 -0.32 0.53 2.04 -1.58 -3.25 117.51 116.16 2waq h ILE 241 Ca -0.05 -2.24 -0.04 0.00 1.00 0.00 0.00 64.86 63.53 2waq h ILE 241 Cb 0.64 2.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.35 2waq h ILE 241 CO 0.00 0.42 0.05 0.58 0.00 0.00 0.00 178.15 179.21 2waq h VAL 242 N -0.99 1.23 0.00 1.67 2.07 -1.82 -3.21 116.25 115.20 2waq h VAL 242 Ca -0.22 -0.80 -0.15 0.00 0.82 0.00 0.00 66.70 66.34 2waq h VAL 242 Cb 1.20 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 2waq h VAL 242 CO -0.13 0.27 -0.71 1.88 0.02 0.00 0.00 177.57 178.89 2waq h TYR 243 N 0.35 0.00 -0.66 1.57 -1.99 -1.76 -3.13 116.97 111.35 2waq h TYR 243 Ca 0.10 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.81 2waq h TYR 243 Cb 0.34 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.04 2waq h TYR 243 CO 0.02 0.71 0.33 0.00 -0.00 0.00 0.00 178.16 179.22 2waq h ALA 244 N 1.29 1.33 0.64 3.88 0.00 -1.59 -3.07 119.26 121.74 2waq h ALA 244 Ca -0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2waq h ALA 244 Cb 1.33 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.85 2waq h ALA 244 CO 0.09 0.53 -0.31 0.28 0.00 0.00 0.00 179.25 179.84 2waq h VAL 245 N 0.94 0.18 -2.45 0.00 2.07 -1.56 -3.42 116.25 112.01 2waq h VAL 245 Ca 0.23 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 2waq h VAL 245 Cb 0.08 0.25 -0.24 0.00 -1.52 0.00 0.00 31.29 29.86 2waq h VAL 245 CO -0.03 0.02 -0.14 -0.94 0.02 0.00 0.00 177.57 176.50 2waq s SER 246 N -4.56 -0.61 0.01 0.57 1.04 -1.16 -4.65 113.70 104.34 2waq s SER 246 Ca -0.15 1.08 -0.30 0.00 0.48 0.00 0.00 55.95 57.06 2waq s SER 246 Cb 0.02 1.03 -0.04 0.00 0.10 0.00 0.00 66.02 67.13 2waq s SER 246 CO 0.48 -0.20 1.12 -0.76 0.98 0.00 0.00 173.24 174.87 2waq s LEU 247 N 0.87 4.34 -0.80 2.42 1.43 -1.24 -4.13 118.68 121.57 2waq s LEU 247 Ca -0.05 1.84 -0.01 0.00 -1.03 0.00 0.00 54.13 54.88 2waq s LEU 247 Cb -0.05 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.60 2waq s LEU 247 CO -0.07 -0.44 0.58 0.47 0.23 0.00 0.00 176.35 177.12 2waq n ASP 248 N 4.29 -4.59 0.26 2.29 8.00 -1.26 -4.85 116.55 120.70 2waq n ASP 248 Ca 0.09 -0.96 0.11 0.00 0.71 0.00 0.00 54.79 54.74 2waq n ASP 248 Cb 0.48 -1.53 0.72 0.00 -0.02 0.00 0.00 41.12 40.77 2waq n ASP 248 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2waq h PRO 249 N -0.29 0.00 0.00 -0.24 0.11 -1.88 -3.46 132.00 126.24 2waq h PRO 249 Ca -0.63 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.48 2waq h PRO 249 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 2waq h PRO 249 CO 0.36 0.08 0.00 -1.91 -0.21 0.00 0.00 178.00 176.32 2waq n GLU 250 N -3.99 0.00 -0.01 1.05 2.13 -1.26 -1.92 120.64 116.64 2waq n GLU 250 Ca -0.03 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.63 2waq n GLU 250 Cb 0.17 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.74 2waq n GLU 250 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2waq n ILE 251 N 0.00 1.70 -1.18 6.31 5.41 -1.26 -4.44 119.36 125.90 2waq n ILE 251 Ca 0.00 -0.71 -0.19 0.00 1.00 0.00 0.00 62.75 62.85 2waq n ILE 251 Cb 0.00 -1.42 -0.08 0.00 -0.71 0.00 0.00 39.64 37.43 2waq n ILE 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2waq n GLN 252 N -3.29 2.10 -0.80 0.38 -0.00 -0.81 -4.10 117.38 110.86 2waq n GLN 252 Ca -0.27 -1.63 -0.04 0.00 -0.00 0.00 0.00 57.00 55.05 2waq n GLN 252 Cb 1.05 -1.95 0.20 0.00 -0.00 0.00 0.00 30.24 29.54 2waq n GLN 252 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2waq n ASN 253 N 1.41 2.72 0.19 2.61 3.02 -1.26 -4.82 115.26 119.13 2waq n ASN 253 Ca 0.41 -3.68 0.07 0.00 -0.03 0.00 0.00 54.58 51.35 2waq n ASN 253 Cb 0.68 -0.64 0.57 0.00 -0.61 0.00 0.00 39.78 39.78 2waq n ASN 253 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2waq h GLU 254 N 1.09 0.14 -2.11 3.52 5.08 -1.95 -3.23 114.58 117.13 2waq h GLU 254 Ca 0.23 -0.01 -0.53 0.00 -1.00 0.00 0.00 59.36 58.05 2waq h GLU 254 Cb 1.73 -0.03 -0.41 0.00 0.50 0.00 0.00 28.75 30.54 2waq h GLU 254 CO 0.43 0.11 -0.98 1.28 -1.00 0.00 0.00 179.01 178.84 2waq n LEU 255 N -4.51 2.16 0.13 1.33 4.77 -1.26 -4.60 117.00 115.02 2waq n LEU 255 Ca -0.01 -5.24 0.00 0.00 -0.03 0.00 0.00 56.01 50.73 2waq n LEU 255 Cb 0.09 0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2waq n LEU 255 CO 0.34 2.29 -0.00 0.49 -1.33 0.00 0.00 177.39 179.18 2waq n PHE 256 N 0.19 -2.23 0.70 -1.77 3.01 -1.22 -4.59 117.46 111.54 2waq n PHE 256 Ca 0.27 0.39 0.05 0.00 1.01 0.00 0.00 57.45 59.18 2waq n PHE 256 Cb 0.55 0.54 0.17 0.00 -0.01 0.00 0.00 39.48 40.73 2waq n PHE 256 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2waq n PRO 257 N -3.42 2.05 -2.63 -1.08 -0.04 -1.26 -3.91 135.00 124.72 2waq n PRO 257 Ca 0.00 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.13 2waq n PRO 257 Cb 0.00 -1.40 0.05 0.00 -0.04 0.00 0.00 33.50 32.11 2waq n PRO 257 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2waq n SER 258 N 0.50 1.29 -1.53 3.54 3.41 -1.26 -4.82 113.62 114.74 2waq n SER 258 Ca 0.12 -2.03 0.01 0.00 -0.26 0.00 0.00 58.87 56.71 2waq n SER 258 Cb 0.39 -0.38 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 2waq n SER 258 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2waq n LEU 259 N -0.50 0.52 -3.44 1.04 0.00 -1.25 -4.75 117.00 108.62 2waq n LEU 259 Ca 0.05 -2.12 -0.37 0.00 0.00 0.00 0.00 56.01 53.57 2waq n LEU 259 Cb 0.85 0.04 -0.02 0.00 0.00 0.00 0.00 43.42 44.29 2waq n LEU 259 CO 0.04 0.81 2.87 -0.62 0.00 0.00 0.00 177.39 180.48 2waq n GLU 260 N 0.23 2.91 0.22 1.96 1.02 -1.26 -4.54 120.64 121.18 2waq n GLU 260 Ca -0.02 -2.13 0.10 0.00 -0.02 0.00 0.00 57.16 55.08 2waq n GLU 260 Cb 1.01 -2.89 0.41 0.00 -0.02 0.00 0.00 31.44 29.95 2waq n GLU 260 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2waq h GLN 261 N 5.86 0.00 -3.87 3.49 4.15 -1.98 -3.26 115.11 119.50 2waq h GLN 261 Ca 0.67 0.00 -0.73 0.00 0.77 0.00 0.00 58.65 59.35 2waq h GLN 261 Cb 0.40 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 27.99 2waq h GLN 261 CO 1.77 0.22 2.48 0.00 -1.93 0.00 0.00 178.83 181.37 2waq n ALA 262 N -2.20 5.30 0.11 3.38 0.00 -1.26 -4.70 120.51 121.13 2waq n ALA 262 Ca 0.01 -4.11 -0.04 0.00 0.00 0.00 0.00 53.44 49.30 2waq n ALA 262 Cb 0.46 -3.25 0.06 0.00 0.00 0.00 0.00 19.45 16.72 2waq n ALA 262 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2waq h SER 263 N 5.99 0.05 0.32 0.00 0.87 -1.97 -3.30 113.55 115.51 2waq h SER 263 Ca 0.47 -0.04 -0.28 0.00 -1.23 0.00 0.00 61.79 60.71 2waq h SER 263 Cb 0.65 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.55 2waq h SER 263 CO 1.71 0.79 -1.92 -1.20 -0.53 0.00 0.00 176.83 175.69 2waq n SER 264 N -3.66 0.50 -4.73 6.23 7.64 -1.26 -4.94 113.62 113.40 2waq n SER 264 Ca -0.01 0.23 -0.41 0.00 1.01 0.00 0.00 58.87 59.69 2waq n SER 264 Cb 0.73 0.50 -0.04 0.00 -1.01 0.00 0.00 64.21 64.39 2waq n SER 264 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2waq s ILE 265 N -2.68 4.14 0.00 0.44 -1.09 -1.25 -4.89 121.20 115.87 2waq s ILE 265 Ca -0.06 1.73 0.00 0.00 -2.23 0.00 0.00 60.65 60.09 2waq s ILE 265 Cb 0.08 -4.11 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 2waq s ILE 265 CO 0.83 0.25 0.00 0.00 -1.23 0.00 0.00 174.94 174.78 2waq n ALA 266 N 2.90 2.48 -2.20 9.38 0.00 -1.26 -4.96 120.51 126.85 2waq n ALA 266 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 2waq n ALA 266 Cb 0.47 0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 2waq n ALA 266 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2waq s ASN 267 N -3.97 6.35 0.24 0.00 0.01 -1.26 -5.00 114.94 111.30 2waq s ASN 267 Ca 0.00 1.05 0.00 0.00 -0.71 0.00 0.00 52.86 53.21 2waq s ASN 267 Cb 0.00 -2.30 0.26 0.00 0.41 0.00 0.00 41.25 39.62 2waq s ASN 267 CO 0.00 -0.55 1.61 0.58 -1.51 0.00 0.00 177.10 177.23 2waq h VAL 268 N 0.47 1.31 -0.18 1.60 2.07 -1.97 -2.90 116.25 116.65 2waq h VAL 268 Ca -0.47 -1.59 -0.17 0.00 0.82 0.00 0.00 66.70 65.29 2waq h VAL 268 Cb 1.20 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.58 2waq h VAL 268 CO 0.62 0.49 -0.58 0.44 0.02 0.00 0.00 177.57 178.57 2waq h ASP 269 N 0.39 0.64 0.46 0.57 3.32 -1.94 -3.07 116.42 116.80 2waq h ASP 269 Ca 0.03 -0.35 -0.09 0.00 0.02 0.00 0.00 57.03 56.64 2waq h ASP 269 Cb 0.91 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 2waq h ASP 269 CO 0.08 1.08 -0.41 0.44 -1.72 0.00 0.00 179.24 178.71 2waq h ASP 270 N 0.43 0.00 -0.30 6.45 3.32 -1.95 -1.88 116.42 122.50 2waq h ASP 270 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 2waq h ASP 270 Cb 1.13 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 2waq h ASP 270 CO 0.11 0.41 -0.08 0.00 -1.72 0.00 0.00 179.24 177.95 2waq h ALA 271 N 1.59 0.41 0.00 3.45 0.00 -1.45 -2.55 119.26 120.72 2waq h ALA 271 Ca -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2waq h ALA 271 Cb 0.75 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2waq h ALA 271 CO 0.05 0.25 -0.10 -0.07 0.00 0.00 0.00 179.25 179.37 2waq h LEU 272 N 0.35 0.00 0.07 0.00 3.38 -1.43 -2.79 115.31 114.88 2waq h LEU 272 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2waq h LEU 272 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2waq h LEU 272 CO 0.03 0.10 -0.03 -0.78 0.09 0.00 0.00 178.44 177.85 2waq h ASP 273 N 0.00 -0.08 0.51 -0.43 3.58 -1.09 0.21 116.42 119.13 2waq h ASP 273 Ca -0.00 -0.51 0.00 0.00 0.42 0.00 0.00 57.03 56.94 2waq h ASP 273 Cb 0.55 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.61 2waq h ASP 273 CO 0.01 0.51 -0.05 0.49 -2.88 0.00 0.00 179.24 177.33 2waq n PHE 274 N -4.85 0.00 -0.02 0.28 3.01 -0.98 -0.69 117.46 114.20 2waq n PHE 274 Ca -0.08 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.19 2waq n PHE 274 Cb 0.29 -0.25 -0.14 0.00 -0.01 0.00 0.00 39.48 39.37 2waq n PHE 274 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2waq n ILE 275 N -1.19 1.70 0.31 4.37 5.41 -1.05 -4.31 119.36 124.59 2waq n ILE 275 Ca 0.14 -0.67 0.16 0.00 1.00 0.00 0.00 62.75 63.38 2waq n ILE 275 Cb 0.25 -1.54 0.66 0.00 -0.71 0.00 0.00 39.64 38.31 2waq n ILE 275 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2waq h GLY 276 N 1.70 0.00 2.00 7.39 0.00 -0.08 -2.33 103.07 111.75 2waq h GLY 276 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 2waq h GLY 276 CO 0.06 0.00 0.00 1.48 0.00 0.00 0.00 176.54 178.08 2waq h SER 277 N 0.00 0.00 0.44 0.19 4.64 -1.10 -2.41 113.55 115.32 2waq h SER 277 Ca 0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 2waq h SER 277 Cb 0.46 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.53 2waq h SER 277 CO 0.00 0.00 -1.64 0.03 -0.87 0.00 0.00 176.83 174.35 2waq h ARG 278 N 0.00 0.15 0.01 4.77 2.47 -1.63 -3.40 114.38 116.75 2waq h ARG 278 Ca 0.00 -0.25 -0.00 0.00 -1.26 0.00 0.00 59.98 58.47 2waq h ARG 278 Cb 0.61 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.02 2waq h ARG 278 CO 0.00 0.91 -0.00 0.28 0.56 0.00 0.00 179.97 181.72 2waq h VAL 279 N 0.04 1.59 -3.34 2.04 2.07 -1.50 -3.45 116.25 113.69 2waq h VAL 279 Ca -0.27 -1.84 -0.41 0.00 0.82 0.00 0.00 66.70 65.00 2waq h VAL 279 Cb 2.00 2.82 -0.37 0.00 -1.52 0.00 0.00 31.29 34.23 2waq h VAL 279 CO 0.12 0.47 -0.76 0.00 0.02 0.00 0.00 177.57 177.41 2waq s ALA 280 N -3.04 0.60 -0.73 1.67 0.00 -0.91 -5.10 121.76 114.26 2waq s ALA 280 Ca -0.17 -0.04 -0.10 0.00 0.00 0.00 0.00 51.96 51.64 2waq s ALA 280 Cb -0.01 -0.59 0.19 0.00 0.00 0.00 0.00 23.12 22.70 2waq s ALA 280 CO 0.67 -0.30 0.63 0.42 0.00 0.00 0.00 175.76 177.18 2waq s ILE 281 N 1.58 4.92 0.00 0.00 1.01 -1.26 -4.38 121.20 123.08 2waq s ILE 281 Ca -0.01 -2.52 0.00 0.00 0.00 0.00 0.00 60.65 58.12 2waq s ILE 281 Cb -0.13 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.24 2waq s ILE 281 CO -0.03 -0.96 0.00 0.61 0.00 0.00 0.00 174.94 174.56 2waq n GLY 282 N 3.96 2.80 0.00 6.18 0.00 -1.26 -5.10 105.19 111.77 2waq n GLY 282 Ca 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2waq n GLY 282 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2waq n GLN 283 N 0.00 3.24 -2.46 1.61 10.64 -1.26 -5.04 117.38 124.11 2waq n GLN 283 Ca 0.00 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.76 2waq n GLN 283 Cb 0.00 -0.45 -0.03 0.00 -0.86 0.00 0.00 30.24 28.91 2waq n GLN 283 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2waq s LYS 284 N -0.40 3.28 0.25 2.61 1.02 -1.26 -4.90 119.74 120.35 2waq s LYS 284 Ca 0.00 0.23 -0.05 0.00 0.02 0.00 0.00 55.97 56.17 2waq s LYS 284 Cb 0.00 -4.13 0.27 0.00 -0.52 0.00 0.00 37.83 33.45 2waq s LYS 284 CO 0.00 -1.98 1.83 -0.09 -0.92 0.00 0.00 175.35 174.19 2waq h ARG 285 N 10.65 1.12 -0.64 1.68 1.12 -1.99 -2.34 114.38 123.97 2waq h ARG 285 Ca -0.27 -0.17 -0.06 0.00 -1.11 0.00 0.00 59.98 58.37 2waq h ARG 285 Cb 1.08 -0.20 -0.03 0.00 -0.01 0.00 0.00 29.97 30.81 2waq h ARG 285 CO 1.21 0.87 0.15 0.93 -3.11 0.00 0.00 179.97 180.03 2waq h GLU 286 N 1.10 1.03 0.00 0.20 3.07 -2.01 -2.72 114.58 115.26 2waq h GLU 286 Ca 0.26 -0.25 -0.07 0.00 -0.50 0.00 0.00 59.36 58.80 2waq h GLU 286 Cb 0.14 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 2waq h GLU 286 CO -0.03 0.93 -0.35 -0.91 -1.40 0.00 0.00 179.01 177.25 2waq h ASN 287 N 0.96 0.00 -0.11 1.42 2.35 -1.93 -2.53 115.58 115.73 2waq h ASN 287 Ca 0.20 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.84 2waq h ASN 287 Cb 0.36 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 2waq h ASN 287 CO 0.00 0.35 -0.30 0.03 -1.65 0.00 0.00 177.43 175.86 2waq h ARG 288 N 0.00 0.59 -0.06 0.81 3.08 -1.16 -2.52 114.38 115.12 2waq h ARG 288 Ca -0.00 -0.26 -0.17 0.00 0.07 0.00 0.00 59.98 59.62 2waq h ARG 288 Cb 0.85 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 2waq h ARG 288 CO 0.05 0.83 -0.69 0.82 -1.07 0.00 0.00 179.97 179.91 2waq h ILE 289 N 0.51 1.40 -0.52 2.04 2.04 -1.33 -3.29 117.51 118.36 2waq h ILE 289 Ca 0.06 -2.14 -0.05 0.00 1.00 0.00 0.00 64.86 63.73 2waq h ILE 289 Cb 0.78 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.95 2waq h ILE 289 CO 0.06 0.63 0.11 -0.33 0.00 0.00 0.00 178.15 178.63 2waq h GLU 290 N 0.20 0.84 -1.89 2.37 5.08 -1.25 -2.50 114.58 117.43 2waq h GLU 290 Ca -0.02 -0.21 -0.25 0.00 -1.00 0.00 0.00 59.36 57.88 2waq h GLU 290 Cb 1.23 -0.11 -0.09 0.00 0.50 0.00 0.00 28.75 30.28 2waq h GLU 290 CO 0.11 0.81 0.08 1.17 -1.00 0.00 0.00 179.01 180.18 2waq n LYS 291 N -4.42 1.81 0.00 2.33 4.81 -0.97 -3.49 118.16 118.23 2waq n LYS 291 Ca 0.02 -1.21 0.00 0.00 -0.87 0.00 0.00 58.31 56.25 2waq n LYS 291 Cb 0.24 -1.70 0.00 0.00 0.02 0.00 0.00 35.03 33.58 2waq n LYS 291 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2waq n ALA 292 N 1.37 1.63 0.01 3.14 0.00 -1.03 -4.80 120.51 120.83 2waq n ALA 292 Ca 0.31 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.63 2waq n ALA 292 Cb 0.65 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.03 2waq n ALA 292 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2waq h GLN 293 N 0.00 0.06 -0.14 0.00 4.20 -1.49 -1.05 115.11 116.69 2waq h GLN 293 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2waq h GLN 293 Cb 0.00 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.77 2waq h GLN 293 CO 0.00 0.17 0.00 1.04 -0.67 0.00 0.00 178.83 179.37 2waq n GLN 294 N -4.99 1.90 -0.09 1.46 6.02 -1.25 -2.79 117.38 117.63 2waq n GLN 294 Ca -0.07 -1.33 -0.18 0.00 -0.01 0.00 0.00 57.00 55.41 2waq n GLN 294 Cb 0.09 -1.45 -0.11 0.00 1.02 0.00 0.00 30.24 29.80 2waq n GLN 294 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2waq h ILE 295 N 2.88 1.00 -0.61 5.09 1.08 -1.79 -3.35 117.51 121.81 2waq h ILE 295 Ca 0.00 -2.08 0.09 0.00 -0.39 0.00 0.00 64.86 62.48 2waq h ILE 295 Cb 0.62 2.22 -0.07 0.00 -3.07 0.00 0.00 36.82 36.53 2waq h ILE 295 CO 0.00 0.34 0.25 0.40 -0.69 0.00 0.00 178.15 178.45 2waq h ILE 296 N -1.00 0.80 -0.22 -0.67 2.04 -1.28 -0.77 117.51 116.41 2waq h ILE 296 Ca -0.23 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.49 2waq h ILE 296 Cb 1.13 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 2waq h ILE 296 CO -0.14 0.08 0.14 0.44 0.00 0.00 0.00 178.15 178.67 2waq h ASP 297 N 0.44 0.20 -0.24 1.72 3.45 -1.71 0.24 116.42 120.53 2waq h ASP 297 Ca 0.30 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.76 2waq h ASP 297 Cb 0.35 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.07 2waq h ASP 297 CO -0.29 0.15 0.00 2.29 -1.57 0.00 0.00 179.24 179.82 2waq n LYS 298 N -4.50 2.06 0.00 3.56 2.85 -1.03 -4.19 118.16 116.90 2waq n LYS 298 Ca 0.01 -1.76 0.00 0.00 -1.05 0.00 0.00 58.31 55.51 2waq n LYS 298 Cb 0.11 -1.26 0.00 0.00 -0.65 0.00 0.00 35.03 33.24 2waq n LYS 298 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2waq n TYR 299 N 0.59 0.00 -2.74 5.58 4.02 -0.32 -4.84 117.16 119.44 2waq n TYR 299 Ca 0.10 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.57 2waq n TYR 299 Cb 0.38 0.11 -0.04 0.00 -0.02 0.00 0.00 39.34 39.77 2waq n TYR 299 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 2waq s PHE 300 N -1.93 2.73 -1.03 -0.72 5.36 0.80 -4.10 117.98 119.09 2waq s PHE 300 Ca 0.00 0.15 -0.12 0.00 -0.96 0.00 0.00 56.93 56.00 2waq s PHE 300 Cb 0.00 -4.23 -0.03 0.00 -0.34 0.00 0.00 43.02 38.42 2waq s PHE 300 CO 0.00 -1.43 0.81 1.28 -1.46 0.00 0.00 175.22 174.42 2waq n LEU 301 N 7.82 -4.30 -0.95 6.12 4.77 -1.26 -4.75 117.00 124.45 2waq n LEU 301 Ca 0.04 -0.78 0.03 0.00 -0.03 0.00 0.00 56.01 55.27 2waq n LEU 301 Cb 0.48 -2.76 0.15 0.00 -2.33 0.00 0.00 43.42 38.97 2waq n LEU 301 CO 0.67 0.12 0.52 -0.81 -1.33 0.00 0.00 177.39 176.55 2waq n PRO 302 N -3.43 2.37 -0.02 3.23 -0.04 -1.26 -3.70 135.00 132.15 2waq n PRO 302 Ca -0.08 -1.19 0.13 0.00 -0.04 0.00 0.00 63.50 62.31 2waq n PRO 302 Cb 0.59 -1.69 0.36 0.00 -0.04 0.00 0.00 33.50 32.72 2waq n PRO 302 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2waq n HIS 303 N 0.26 0.05 -0.02 0.54 1.44 -1.26 -4.36 115.22 111.88 2waq n HIS 303 Ca 0.11 -0.02 -0.03 0.00 -2.01 0.00 0.00 57.72 55.76 2waq n HIS 303 Cb 0.55 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.64 2waq n HIS 303 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2waq n LEU 304 N 0.63 2.79 -3.59 2.39 4.77 -1.24 -0.36 117.00 122.38 2waq n LEU 304 Ca 0.17 -0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.99 2waq n LEU 304 Cb 0.44 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 2waq n LEU 304 CO 0.16 0.53 0.49 -0.83 -1.33 0.00 0.00 177.39 176.40 2waq s GLY 305 N -4.42 -0.49 -0.13 -0.72 0.00 -1.26 -4.99 107.32 95.30 2waq s GLY 305 Ca -0.05 1.83 0.12 0.00 0.00 0.00 0.00 44.72 46.62 2waq s GLY 305 CO 0.09 1.41 0.05 2.41 0.00 0.00 0.00 173.10 177.06 2waq n THR 306 N 1.83 0.89 -2.20 0.90 -1.04 -1.26 -4.66 114.28 108.74 2waq n THR 306 Ca -0.15 -0.55 -0.31 0.00 -2.04 0.00 0.00 64.05 60.99 2waq n THR 306 Cb 0.56 -0.64 -0.01 0.00 -1.82 0.00 0.00 70.33 68.42 2waq n THR 306 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2waq s SER 307 N -4.60 6.37 0.53 8.00 1.04 -1.26 -4.40 113.70 119.37 2waq s SER 307 Ca -0.06 1.38 0.21 0.00 0.48 0.00 0.00 55.95 57.95 2waq s SER 307 Cb 0.04 -2.44 1.41 0.00 0.10 0.00 0.00 66.02 65.13 2waq s SER 307 CO 0.54 -0.71 2.15 0.00 0.98 0.00 0.00 173.24 176.19 2waq h ALA 308 N 0.24 1.73 0.00 5.32 0.00 -1.94 -2.80 119.26 121.80 2waq h ALA 308 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2waq h ALA 308 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2waq h ALA 308 CO 0.62 0.06 0.00 -0.25 0.00 0.00 0.00 179.25 179.68 2waq n ASP 309 N -4.20 1.84 -0.23 0.00 9.92 -1.26 -2.87 116.55 119.74 2waq n ASP 309 Ca -0.03 -1.75 0.04 0.00 -0.53 0.00 0.00 54.79 52.52 2waq n ASP 309 Cb 0.13 -0.44 0.05 0.00 -0.64 0.00 0.00 41.12 40.22 2waq n ASP 309 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2waq n ASP 310 N 0.34 1.09 -0.04 -2.24 8.00 -1.06 -4.91 116.55 117.73 2waq n ASP 310 Ca 0.00 -2.30 -0.14 0.00 0.71 0.00 0.00 54.79 53.05 2waq n ASP 310 Cb 0.34 -0.25 -0.11 0.00 -0.02 0.00 0.00 41.12 41.08 2waq n ASP 310 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2waq h ARG 311 N 0.00 0.08 -0.11 -1.24 3.08 -1.76 -3.25 114.38 111.18 2waq h ARG 311 Ca 0.00 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 59.86 2waq h ARG 311 Cb 1.12 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 2waq h ARG 311 CO 0.00 0.83 -0.41 0.00 -1.07 0.00 0.00 179.97 179.31 2waq h ARG 312 N -0.63 0.24 0.00 0.04 3.08 -1.88 -2.30 114.38 112.93 2waq h ARG 312 Ca -0.01 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.92 2waq h ARG 312 Cb 0.86 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 2waq h ARG 312 CO 0.02 0.62 0.00 1.63 -1.07 0.00 0.00 179.97 181.17 2waq n LYS 313 N -4.03 0.01 0.00 0.04 5.02 -1.25 -2.00 118.16 115.96 2waq n LYS 313 Ca -0.01 0.18 0.04 0.00 -2.02 0.00 0.00 58.31 56.49 2waq n LYS 313 Cb 0.48 -1.52 0.02 0.00 -0.02 0.00 0.00 35.03 33.98 2waq n LYS 313 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2waq n LYS 314 N -1.55 1.29 0.08 1.97 2.85 -1.11 -4.46 118.16 117.24 2waq n LYS 314 Ca 0.05 -0.74 -0.06 0.00 -1.05 0.00 0.00 58.31 56.51 2waq n LYS 314 Cb 0.23 -1.08 -0.06 0.00 -0.65 0.00 0.00 35.03 33.47 2waq n LYS 314 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2waq h ALA 315 N 1.49 0.49 0.00 0.58 0.00 -0.82 -3.20 119.26 117.79 2waq h ALA 315 Ca 0.00 -0.83 -0.04 0.00 0.00 0.00 0.00 54.91 54.03 2waq h ALA 315 Cb 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2waq h ALA 315 CO 0.00 1.14 -0.21 1.88 0.00 0.00 0.00 179.25 182.06 2waq h TYR 316 N 0.00 0.00 -0.34 0.00 -1.99 -1.74 -3.01 116.97 109.89 2waq h TYR 316 Ca -0.01 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.58 2waq h TYR 316 Cb 1.62 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.35 2waq h TYR 316 CO 0.00 0.21 -0.34 -0.92 -0.00 0.00 0.00 178.16 177.11 2waq h TYR 317 N 0.00 1.00 -0.21 4.88 3.20 -1.77 -2.00 116.97 122.06 2waq h TYR 317 Ca -0.00 -0.30 -0.08 0.00 3.14 0.00 0.00 58.73 61.49 2waq h TYR 317 Cb 0.76 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 2waq h TYR 317 CO 0.00 1.09 -0.21 1.25 -1.64 0.00 0.00 178.16 178.65 2waq h LEU 318 N 0.62 0.37 -0.35 2.82 6.46 -1.60 0.94 115.31 124.57 2waq h LEU 318 Ca 0.05 -0.11 -0.04 0.00 -0.12 0.00 0.00 57.88 57.66 2waq h LEU 318 Cb 0.92 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.74 2waq h LEU 318 CO 0.08 0.60 0.05 0.00 -0.62 0.00 0.00 178.44 178.55 2waq h ALA 319 N 1.44 0.47 -0.16 1.25 0.00 -1.40 -1.27 119.26 119.58 2waq h ALA 319 Ca 0.06 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 2waq h ALA 319 Cb 0.57 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2waq h ALA 319 CO 0.04 0.18 -0.33 -0.92 0.00 0.00 0.00 179.25 178.22 2waq h TYR 320 N 0.42 0.36 0.00 0.00 5.03 -1.13 -1.67 116.97 119.97 2waq h TYR 320 Ca 0.10 -0.08 -0.05 0.00 2.58 0.00 0.00 58.73 61.28 2waq h TYR 320 Cb 0.37 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.56 2waq h TYR 320 CO 0.03 0.62 -0.23 0.00 -1.32 0.00 0.00 178.16 177.26 2waq h ALA 321 N 1.38 1.58 0.14 1.82 0.00 -0.53 -2.72 119.26 120.93 2waq h ALA 321 Ca 0.03 -0.21 -0.29 0.00 0.00 0.00 0.00 54.91 54.44 2waq h ALA 321 Cb 0.72 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2waq h ALA 321 CO 0.06 0.28 -1.39 0.82 0.00 0.00 0.00 179.25 179.02 2waq h ILE 322 N 0.00 1.33 0.00 0.00 1.08 -0.91 -3.27 117.51 115.74 2waq h ILE 322 Ca -0.00 -2.91 0.00 0.00 -0.39 0.00 0.00 64.86 61.55 2waq h ILE 322 Cb 0.41 2.88 0.00 0.00 -3.07 0.00 0.00 36.82 37.04 2waq h ILE 322 CO 0.03 0.85 0.00 -1.54 -0.69 0.00 0.00 178.15 176.80 2waq n SER 323 N -3.52 0.00 -0.10 1.72 3.41 -0.66 -1.95 113.62 112.52 2waq n SER 323 Ca -0.13 0.05 -0.18 0.00 -0.26 0.00 0.00 58.87 58.36 2waq n SER 323 Cb 1.04 -0.18 -0.13 0.00 -0.26 0.00 0.00 64.21 64.69 2waq n SER 323 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2waq n LYS 324 N -1.18 0.67 -0.05 4.33 4.76 -1.16 -3.87 118.16 121.66 2waq n LYS 324 Ca 0.04 0.16 -0.16 0.00 -2.87 0.00 0.00 58.31 55.48 2waq n LYS 324 Cb 0.04 -1.56 -0.07 0.00 -1.84 0.00 0.00 35.03 31.60 2waq n LYS 324 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2waq h VAL 325 N 0.01 1.32 0.00 -0.18 2.07 -1.48 -2.01 116.25 115.98 2waq h VAL 325 Ca -0.55 -1.76 -0.07 0.00 0.82 0.00 0.00 66.70 65.14 2waq h VAL 325 Cb 1.95 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 33.66 2waq h VAL 325 CO -0.05 0.55 -0.33 0.16 0.02 0.00 0.00 177.57 177.92 2waq h ILE 326 N 0.34 0.84 0.00 4.57 3.07 -1.73 0.11 117.51 124.71 2waq h ILE 326 Ca -0.02 -1.35 -0.01 0.00 1.55 0.00 0.00 64.86 65.04 2waq h ILE 326 Cb 1.14 1.83 -0.00 0.00 -0.27 0.00 0.00 36.82 39.52 2waq h ILE 326 CO 0.11 0.32 -0.03 -0.08 -1.05 0.00 0.00 178.15 177.43 2waq h GLU 327 N 0.00 0.00 0.01 0.16 4.81 -1.63 -0.67 114.58 117.25 2waq h GLU 327 Ca -0.00 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.93 2waq h GLU 327 Cb 0.80 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.13 2waq h GLU 327 CO 0.04 0.03 -1.76 -0.11 -0.73 0.00 0.00 179.01 176.48 2waq n LEU 328 N -3.12 1.03 -0.19 1.64 7.94 -0.77 -2.65 117.00 120.88 2waq n LEU 328 Ca 0.01 0.38 -0.08 0.00 -1.11 0.00 0.00 56.01 55.22 2waq n LEU 328 Cb 0.38 0.05 0.02 0.00 0.53 0.00 0.00 43.42 44.40 2waq n LEU 328 CO 0.30 0.44 0.97 0.22 -1.11 0.00 0.00 177.39 178.21 2waq h TYR 329 N 0.01 0.83 -3.86 1.96 3.20 -0.53 -3.42 116.97 115.16 2waq h TYR 329 Ca -0.31 -0.06 -0.48 0.00 3.14 0.00 0.00 58.73 61.02 2waq h TYR 329 Cb 2.02 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 40.03 2waq h TYR 329 CO 0.01 0.67 0.20 -1.17 -1.64 0.00 0.00 178.16 176.22 2waq s LEU 330 N -9.78 3.91 -1.16 2.82 0.20 -0.28 -4.97 118.68 109.42 2waq s LEU 330 Ca -0.13 1.38 -0.22 0.00 0.69 0.00 0.00 54.13 55.85 2waq s LEU 330 Cb 0.12 -4.23 -0.05 0.00 -0.43 0.00 0.00 46.19 41.60 2waq s LEU 330 CO 0.78 -0.34 1.89 -0.83 -0.29 0.00 0.00 176.35 177.56 2waq s GLY 331 N -2.59 0.42 0.00 7.98 0.00 -1.26 -4.31 107.32 107.57 2waq s GLY 331 Ca 0.56 -2.19 0.00 0.00 0.00 0.00 0.00 44.72 43.09 2waq s GLY 331 CO 0.22 3.40 0.00 0.54 0.00 0.00 0.00 173.10 177.26 2waq n ARG 332 N 8.39 0.00 -0.12 2.90 5.12 -1.21 -5.04 116.66 126.70 2waq n ARG 332 Ca 0.44 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 56.14 2waq n ARG 332 Cb 0.47 -0.24 -0.08 0.00 -1.16 0.00 0.00 32.46 31.45 2waq n ARG 332 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2waq n ARG 333 N -2.49 0.57 -0.20 5.56 1.74 -1.08 -4.71 116.66 116.05 2waq n ARG 333 Ca 0.00 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 2waq n ARG 333 Cb 0.14 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 2waq n ARG 333 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2waq n GLU 334 N -4.32 -0.55 -1.53 5.56 2.13 -1.26 -4.98 120.64 115.69 2waq n GLU 334 Ca -0.41 0.40 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 2waq n GLU 334 Cb 0.76 -0.44 0.01 0.00 0.27 0.00 0.00 31.44 32.03 2waq n GLU 334 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2waq n PRO 335 N -0.48 0.91 -1.64 5.31 -0.02 -1.26 -4.84 135.00 132.98 2waq n PRO 335 Ca 0.00 0.33 -0.45 0.00 -2.02 0.00 0.00 63.50 61.36 2waq n PRO 335 Cb 0.00 -1.74 -0.04 0.00 -0.02 0.00 0.00 33.50 31.70 2waq n PRO 335 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2waq n ASP 336 N 0.94 3.62 -4.55 2.55 9.92 -0.97 -4.92 116.55 123.13 2waq n ASP 336 Ca 0.11 0.77 -0.41 0.00 -0.53 0.00 0.00 54.79 54.73 2waq n ASP 336 Cb 0.38 -1.46 -0.03 0.00 -0.64 0.00 0.00 41.12 39.38 2waq n ASP 336 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2waq s ASP 337 N 5.22 6.17 0.00 -2.24 -1.08 -1.26 -4.86 116.67 118.61 2waq s ASP 337 Ca 0.94 -0.42 0.07 0.00 -0.52 0.00 0.00 52.55 52.62 2waq s ASP 337 Cb -0.54 -2.56 0.26 0.00 -1.46 0.00 0.00 42.92 38.63 2waq s ASP 337 CO 0.45 -1.83 1.19 2.29 0.52 0.00 0.00 175.17 177.79 2waq n LYS 338 N 9.33 1.28 -0.01 4.34 2.85 -1.26 -2.89 118.16 131.81 2waq n LYS 338 Ca 0.03 -0.43 0.09 0.00 -1.05 0.00 0.00 58.31 56.95 2waq n LYS 338 Cb 0.49 -1.14 -0.14 0.00 -0.65 0.00 0.00 35.03 33.60 2waq n LYS 338 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2waq n ASP 339 N -0.18 0.70 -4.76 -5.58 10.43 -1.26 -4.91 116.55 110.98 2waq n ASP 339 Ca 0.06 -0.26 -0.41 0.00 2.57 0.00 0.00 54.79 56.74 2waq n ASP 339 Cb 0.11 1.63 -0.01 0.00 1.84 0.00 0.00 41.12 44.69 2waq n ASP 339 CO 0.00 0.00 0.00 -2.28 -1.07 0.00 0.00 177.20 173.85 2waq s HIS 340 N -3.16 2.76 -1.43 1.24 2.46 -1.14 -4.92 115.29 111.10 2waq s HIS 340 Ca -0.03 0.96 0.21 0.00 0.47 0.00 0.00 55.06 56.67 2waq s HIS 340 Cb 0.13 -4.00 1.05 0.00 -0.13 0.00 0.00 32.58 29.64 2waq s HIS 340 CO 0.79 -3.18 1.66 0.66 -2.47 0.00 0.00 174.74 172.20 2waq n TYR 341 N 1.64 0.00 0.18 3.88 4.02 -1.26 -2.18 117.16 123.44 2waq n TYR 341 Ca 0.05 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.98 2waq n TYR 341 Cb 0.39 -0.28 0.31 0.00 -0.02 0.00 0.00 39.34 39.74 2waq n TYR 341 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2waq h ALA 342 N 2.99 1.04 -0.58 -0.72 0.00 -1.91 -2.81 119.26 117.27 2waq h ALA 342 Ca 0.00 -0.38 -0.17 0.00 0.00 0.00 0.00 54.91 54.36 2waq h ALA 342 Cb 0.20 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 17.82 2waq h ALA 342 CO 0.00 0.53 0.21 0.09 0.00 0.00 0.00 179.25 180.08 2waq n ASN 343 N -3.65 4.21 -3.93 0.00 3.02 -0.93 -4.92 115.26 109.07 2waq n ASN 343 Ca -0.01 -2.94 -0.20 0.00 -0.03 0.00 0.00 54.58 51.41 2waq n ASN 343 Cb 0.51 -0.69 -0.16 0.00 -0.61 0.00 0.00 39.78 38.83 2waq n ASN 343 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2waq s LYS 344 N -2.43 0.86 0.07 3.52 2.47 -1.06 -0.86 119.74 122.31 2waq s LYS 344 Ca 0.43 -0.17 0.07 0.00 -1.56 0.00 0.00 55.97 54.75 2waq s LYS 344 Cb 0.34 -0.84 -0.03 0.00 -1.46 0.00 0.00 37.83 35.85 2waq s LYS 344 CO 0.11 -0.02 -0.20 0.50 0.16 0.00 0.00 175.35 175.90 2waq s ARG 345 N 0.66 1.22 -0.31 4.03 6.06 0.01 -4.63 118.95 125.98 2waq s ARG 345 Ca -0.09 -1.01 -0.02 0.00 -2.50 0.00 0.00 55.73 52.10 2waq s ARG 345 Cb -0.12 -1.38 0.05 0.00 0.06 0.00 0.00 34.95 33.56 2waq s ARG 345 CO 0.01 0.34 0.02 -0.51 -2.50 0.00 0.00 175.30 172.65 2waq s LEU 346 N -1.49 4.02 -0.57 -0.88 1.02 0.11 -0.22 118.68 120.67 2waq s LEU 346 Ca 0.06 -1.31 -0.22 0.00 0.02 0.00 0.00 54.13 52.68 2waq s LEU 346 Cb -0.09 -1.73 0.06 0.00 0.02 0.00 0.00 46.19 44.44 2waq s LEU 346 CO 0.03 -0.28 0.86 -0.13 0.02 0.00 0.00 176.35 176.84 2waq s ARG 347 N 1.26 3.21 1.05 1.70 1.81 -0.06 -4.41 118.95 123.51 2waq s ARG 347 Ca -0.04 -0.61 -0.17 0.00 -1.72 0.00 0.00 55.73 53.19 2waq s ARG 347 Cb -0.20 -4.12 0.23 0.00 -0.45 0.00 0.00 34.95 30.42 2waq s ARG 347 CO -0.01 -1.51 1.25 -0.51 -0.68 0.00 0.00 175.30 173.84 2waq s LEU 348 N 3.60 1.97 0.37 2.53 1.43 -1.26 -1.99 118.68 125.33 2waq s LEU 348 Ca 0.24 0.40 0.10 0.00 -1.03 0.00 0.00 54.13 53.83 2waq s LEU 348 Cb -0.16 -2.33 0.86 0.00 0.03 0.00 0.00 46.19 44.59 2waq s LEU 348 CO 0.15 -3.25 1.91 0.00 0.23 0.00 0.00 176.35 175.38 2waq h ALA 349 N -1.99 1.87 0.01 4.21 0.00 -1.85 -2.59 119.26 118.91 2waq h ALA 349 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2waq h ALA 349 Cb 1.26 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2waq h ALA 349 CO 0.36 -0.06 -0.03 0.78 0.00 0.00 0.00 179.25 180.30 2waq h GLY 350 N 0.64 -1.19 2.00 0.00 0.00 -1.80 0.20 103.07 102.92 2waq h GLY 350 Ca 0.39 0.52 0.00 0.00 0.00 0.00 0.00 47.33 48.24 2waq h GLY 350 CO -0.16 -0.44 0.00 2.09 0.00 0.00 0.00 176.54 178.03 2waq n ASP 351 N -2.59 0.28 0.05 0.19 3.85 -1.23 -1.93 116.55 115.16 2waq n ASP 351 Ca -0.00 0.53 -0.20 0.00 -0.71 0.00 0.00 54.79 54.40 2waq n ASP 351 Cb 0.02 -0.60 -0.14 0.00 -1.35 0.00 0.00 41.12 39.05 2waq n ASP 351 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 2waq h LEU 352 N 0.00 0.54 -1.67 -2.12 5.85 -1.37 -2.71 115.31 113.82 2waq h LEU 352 Ca 0.00 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.81 2waq h LEU 352 Cb 0.57 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2waq h LEU 352 CO 0.00 1.40 0.00 0.15 -0.34 0.00 0.00 178.44 179.65 2waq h PHE 353 N -0.23 0.00 -0.03 1.25 3.57 -0.54 -2.94 116.94 118.02 2waq h PHE 353 Ca -0.14 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.11 2waq h PHE 353 Cb 1.64 0.00 0.02 0.00 2.79 0.00 0.00 35.95 40.40 2waq h PHE 353 CO 0.18 0.00 -0.98 0.00 -2.23 0.00 0.00 178.31 175.28 2waq h ALA 354 N 2.00 0.21 -0.35 2.41 0.00 -1.35 -2.89 119.26 119.30 2waq h ALA 354 Ca 0.00 -0.68 -0.09 0.00 0.00 0.00 0.00 54.91 54.14 2waq h ALA 354 Cb 0.43 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2waq h ALA 354 CO 0.00 0.71 -0.14 0.77 0.00 0.00 0.00 179.25 180.59 2waq h SER 355 N 0.39 0.61 -0.59 0.00 0.02 -1.31 -0.13 113.55 112.54 2waq h SER 355 Ca -0.11 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.65 2waq h SER 355 Cb 1.62 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.97 2waq h SER 355 CO 0.19 0.77 0.30 0.25 -1.14 0.00 0.00 176.83 177.20 2waq h LEU 356 N 0.56 0.76 -0.71 5.07 5.85 -1.55 -2.53 115.31 122.76 2waq h LEU 356 Ca 0.10 -0.12 -0.14 0.00 0.84 0.00 0.00 57.88 58.56 2waq h LEU 356 Cb 0.57 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2waq h LEU 356 CO 0.04 0.66 -0.62 0.15 -0.34 0.00 0.00 178.44 178.33 2waq h PHE 357 N 0.80 0.12 0.00 1.25 3.04 -1.31 -2.69 116.94 118.15 2waq h PHE 357 Ca 0.20 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.11 2waq h PHE 357 Cb 0.09 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.58 2waq h PHE 357 CO -0.00 0.68 0.00 -0.09 -2.02 0.00 0.00 178.31 176.88 2waq h ARG 358 N 0.07 0.00 0.00 1.11 2.43 -0.58 -0.98 114.38 116.42 2waq h ARG 358 Ca -0.01 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.93 2waq h ARG 358 Cb 1.11 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.61 2waq h ARG 358 CO 0.09 0.00 -1.96 1.55 -1.51 0.00 0.00 179.97 178.14 2waq n VAL 359 N -3.00 0.86 0.07 0.20 3.14 -1.14 -3.95 118.33 114.50 2waq n VAL 359 Ca -0.02 -0.58 -0.07 0.00 -2.96 0.00 0.00 64.34 60.71 2waq n VAL 359 Cb 0.15 -0.51 0.07 0.00 -1.06 0.00 0.00 33.84 32.49 2waq n VAL 359 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2waq h ALA 360 N 0.82 0.70 0.00 1.55 0.00 -1.12 -1.83 119.26 119.38 2waq h ALA 360 Ca -0.34 -0.59 -0.18 0.00 0.00 0.00 0.00 54.91 53.80 2waq h ALA 360 Cb 1.73 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 2waq h ALA 360 CO 0.02 0.77 -0.84 0.35 0.00 0.00 0.00 179.25 179.55 2waq h PHE 361 N 0.21 0.00 -0.48 0.00 3.04 -1.43 -3.18 116.94 115.10 2waq h PHE 361 Ca -0.02 0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.82 2waq h PHE 361 Cb 1.24 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.73 2waq h PHE 361 CO 0.03 0.84 -0.15 -0.22 -2.02 0.00 0.00 178.31 176.79 2waq h LYS 362 N 0.00 0.91 0.00 1.11 1.63 -1.64 -1.47 116.57 117.11 2waq h LYS 362 Ca -0.01 -0.34 -0.10 0.00 -0.85 0.00 0.00 60.65 59.35 2waq h LYS 362 Cb 1.64 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 33.20 2waq h LYS 362 CO 0.11 0.99 -0.48 0.00 -3.45 0.00 0.00 179.45 176.62 2waq h ALA 363 N 1.02 1.17 -0.27 5.00 0.00 -1.42 -2.23 119.26 122.53 2waq h ALA 363 Ca 0.12 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 2waq h ALA 363 Cb 0.68 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2waq h ALA 363 CO 0.05 0.59 -0.44 0.35 0.00 0.00 0.00 179.25 179.80 2waq h PHE 364 N 0.00 0.83 -0.18 0.00 3.57 -1.46 -2.02 116.94 117.68 2waq h PHE 364 Ca -0.00 -0.26 -0.04 0.00 3.53 0.00 0.00 57.97 61.20 2waq h PHE 364 Cb 0.86 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 2waq h PHE 364 CO 0.00 1.00 -0.03 0.28 -2.23 0.00 0.00 178.31 177.34 2waq h VAL 365 N 0.55 1.28 0.00 1.41 2.07 -1.02 -1.68 116.25 118.85 2waq h VAL 365 Ca 0.04 -0.96 -0.08 0.00 0.82 0.00 0.00 66.70 66.52 2waq h VAL 365 Cb 0.98 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 2waq h VAL 365 CO 0.09 0.29 -0.37 0.50 0.02 0.00 0.00 177.57 178.10 2waq h LYS 366 N 0.05 0.00 -0.14 1.57 3.64 -1.45 -2.38 116.57 117.86 2waq h LYS 366 Ca 0.05 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 2waq h LYS 366 Cb 0.45 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2waq h LYS 366 CO 0.01 0.37 -0.17 0.22 -2.27 0.00 0.00 179.45 177.62 2waq h ASP 367 N 0.00 0.39 -0.57 4.20 3.58 -1.29 -2.95 116.42 119.78 2waq h ASP 367 Ca -0.00 -0.50 -0.05 0.00 0.42 0.00 0.00 57.03 56.90 2waq h ASP 367 Cb 0.70 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.61 2waq h ASP 367 CO 0.05 0.81 0.20 0.25 -2.88 0.00 0.00 179.24 177.66 2waq h LEU 368 N -0.03 0.85 -0.58 2.28 5.85 -1.17 0.14 115.31 122.65 2waq h LEU 368 Ca 0.02 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 2waq h LEU 368 Cb 0.71 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2waq h LEU 368 CO 0.04 0.80 0.26 0.74 -0.34 0.00 0.00 178.44 179.94 2waq h THR 369 N 0.89 1.22 0.00 1.05 2.02 -1.49 0.39 112.91 116.99 2waq h THR 369 Ca 0.20 -0.65 -0.05 0.00 0.77 0.00 0.00 66.41 66.68 2waq h THR 369 Cb 0.25 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2waq h THR 369 CO -0.01 0.26 -0.26 0.22 0.37 0.00 0.00 175.52 176.10 2waq h TYR 370 N 0.80 0.00 0.00 3.16 3.20 -1.29 -1.66 116.97 121.19 2waq h TYR 370 Ca 0.20 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.95 2waq h TYR 370 Cb 0.16 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 2waq h TYR 370 CO 0.00 0.26 -0.76 0.37 -1.64 0.00 0.00 178.16 176.39 2waq h GLN 371 N 0.00 0.00 0.00 1.82 5.75 -0.08 -3.14 115.11 119.46 2waq h GLN 371 Ca -0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 2waq h GLN 371 Cb 0.85 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.40 2waq h GLN 371 CO 0.03 0.40 -0.33 -0.07 -2.65 0.00 0.00 178.83 176.21 2waq h LEU 372 N 0.00 0.00 -0.75 -2.39 3.38 -0.11 -3.35 115.31 112.08 2waq h LEU 372 Ca -0.05 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2waq h LEU 372 Cb 1.41 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.12 2waq h LEU 372 CO 0.05 0.75 0.47 -0.08 0.09 0.00 0.00 178.44 179.73 2waq h GLU 373 N -1.00 1.01 -2.02 1.13 4.81 -1.49 -1.10 114.58 115.93 2waq h GLU 373 Ca -0.04 -0.08 -0.76 0.00 -0.13 0.00 0.00 59.36 58.35 2waq h GLU 373 Cb 0.44 -0.22 -0.28 0.00 0.63 0.00 0.00 28.75 29.31 2waq h GLU 373 CO -0.02 0.70 0.92 1.17 -0.73 0.00 0.00 179.01 181.04 2waq n LYS 374 N -4.53 3.30 0.00 1.92 3.00 -1.19 -4.32 118.16 116.35 2waq n LYS 374 Ca 0.07 -3.82 0.00 0.00 -0.00 0.00 0.00 58.31 54.56 2waq n LYS 374 Cb 0.04 -2.30 0.00 0.00 0.00 0.00 0.00 35.03 32.76 2waq n LYS 374 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2waq n SER 375 N -0.44 0.00 -1.46 3.14 2.88 -1.15 -4.87 113.62 111.72 2waq n SER 375 Ca 0.51 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 58.04 2waq n SER 375 Cb 0.27 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 2waq n SER 375 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2waq n LYS 376 N -1.18 1.08 0.13 -1.46 4.76 -0.43 -4.00 118.16 117.07 2waq n LYS 376 Ca 0.00 -0.17 -0.01 0.00 -2.87 0.00 0.00 58.31 55.26 2waq n LYS 376 Cb 0.00 -1.07 0.15 0.00 -1.84 0.00 0.00 35.03 32.27 2waq n LYS 376 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 2waq h VAL 377 N 0.85 1.38 -3.32 -0.18 -1.51 -1.84 -3.41 116.25 108.22 2waq h VAL 377 Ca 0.03 -2.22 -0.70 0.00 -1.23 0.00 0.00 66.70 62.58 2waq h VAL 377 Cb 1.01 2.22 -0.20 0.00 -2.13 0.00 0.00 31.29 32.19 2waq h VAL 377 CO 0.08 0.62 -0.12 -0.13 -1.23 0.00 0.00 177.57 176.79 2waq s ARG 378 N -3.46 3.07 -0.83 5.19 0.52 -1.26 -5.02 118.95 117.16 2waq s ARG 378 Ca -0.01 -1.01 -0.25 0.00 -0.52 0.00 0.00 55.73 53.94 2waq s ARG 378 Cb 0.12 -4.08 0.01 0.00 0.52 0.00 0.00 34.95 31.52 2waq s ARG 378 CO 0.76 -1.09 1.55 0.20 0.02 0.00 0.00 175.30 176.74 2waq s GLY 379 N 2.49 0.75 0.00 -3.53 0.00 -1.26 -4.38 107.32 101.40 2waq s GLY 379 Ca 0.11 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.29 2waq s GLY 379 CO 0.11 2.95 0.00 -2.13 0.00 0.00 0.00 173.10 174.02 2waq n ARG 380 N 9.10 0.00 -2.88 2.90 0.63 -1.26 -5.14 116.66 120.02 2waq n ARG 380 Ca 0.22 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.79 2waq n ARG 380 Cb 0.50 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.34 2waq n ARG 380 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2waq s LYS 381 N -0.96 4.41 -0.04 -0.14 1.02 -1.26 -4.97 119.74 117.81 2waq s LYS 381 Ca 0.00 1.15 0.05 0.00 0.02 0.00 0.00 55.97 57.19 2waq s LYS 381 Cb 0.00 -2.68 0.08 0.00 -0.52 0.00 0.00 37.83 34.71 2waq s LYS 381 CO 0.00 0.24 0.95 1.47 -0.92 0.00 0.00 175.35 177.09 2waq n LEU 382 N 0.32 1.54 -4.56 3.17 -0.00 -1.26 -5.04 117.00 111.16 2waq n LEU 382 Ca 0.02 -1.84 -0.39 0.00 -0.00 0.00 0.00 56.01 53.80 2waq n LEU 382 Cb 0.51 -0.12 -0.03 0.00 -0.00 0.00 0.00 43.42 43.79 2waq n LEU 382 CO 0.43 0.44 1.81 0.00 -0.00 0.00 0.00 177.39 180.07 2waq s ALA 383 N -1.23 2.11 0.21 1.47 0.00 -1.26 -4.83 121.76 118.23 2waq s ALA 383 Ca 0.09 -0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.04 2waq s ALA 383 Cb 0.08 -4.25 0.17 0.00 0.00 0.00 0.00 23.12 19.11 2waq s ALA 383 CO 0.01 -3.82 1.50 -0.07 0.00 0.00 0.00 175.76 173.38 2waq h LEU 384 N 17.24 0.25 -2.26 0.00 3.38 -2.00 -2.89 115.31 129.03 2waq h LEU 384 Ca -0.28 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 2waq h LEU 384 Cb 1.22 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 2waq h LEU 384 CO 1.13 0.87 -0.03 0.50 0.09 0.00 0.00 178.44 181.00 2waq h LYS 385 N 0.15 0.00 0.00 1.13 3.64 -1.92 0.30 116.57 119.87 2waq h LYS 385 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2waq h LYS 385 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2waq h LYS 385 CO 0.11 0.03 -0.44 0.00 -2.27 0.00 0.00 179.45 176.88 2waq h ALA 386 N 1.97 0.74 0.00 5.00 0.00 -1.91 -3.36 119.26 121.71 2waq h ALA 386 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 2waq h ALA 386 Cb 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2waq h ALA 386 CO 0.00 0.00 -1.83 1.28 0.00 0.00 0.00 179.25 178.70 2waq n LEU 387 N -2.45 0.00 -4.70 0.00 4.77 -0.91 -4.98 117.00 108.74 2waq n LEU 387 Ca 0.03 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 2waq n LEU 387 Cb 0.48 0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.79 2waq n LEU 387 CO 0.35 0.26 1.33 -0.69 -1.33 0.00 0.00 177.39 177.31 2waq s VAL 388 N -2.43 2.82 -0.51 4.08 1.01 0.05 -4.89 120.40 120.53 2waq s VAL 388 Ca -0.06 0.38 -0.16 0.00 0.00 0.00 0.00 61.98 62.14 2waq s VAL 388 Cb 0.05 -3.25 0.10 0.00 0.00 0.00 0.00 36.38 33.28 2waq s VAL 388 CO 0.53 0.01 0.46 -0.13 0.00 0.00 0.00 175.10 175.97 2waq s ARG 389 N 2.28 2.99 -0.09 2.72 0.52 -1.26 -4.95 118.95 121.17 2waq s ARG 389 Ca 0.74 -1.49 0.09 0.00 -0.52 0.00 0.00 55.73 54.56 2waq s ARG 389 Cb -0.42 -4.21 0.41 0.00 0.52 0.00 0.00 34.95 31.25 2waq s ARG 389 CO 0.33 -1.17 1.20 -0.35 0.02 0.00 0.00 175.30 175.33 2waq n PRO 390 N 5.29 2.71 -0.01 3.54 -0.04 -1.26 -3.59 135.00 141.64 2waq n PRO 390 Ca -0.13 -1.59 0.06 0.00 -0.04 0.00 0.00 63.50 61.80 2waq n PRO 390 Cb 0.42 -1.72 -0.09 0.00 -0.04 0.00 0.00 33.50 32.07 2waq n PRO 390 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2waq n ASP 391 N 0.43 2.12 0.21 3.54 10.43 -1.26 -4.04 116.55 127.98 2waq n ASP 391 Ca 0.14 -0.04 0.09 0.00 2.57 0.00 0.00 54.79 57.55 2waq n ASP 391 Cb 0.62 1.53 0.63 0.00 1.84 0.00 0.00 41.12 45.74 2waq n ASP 391 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 2waq h ILE 392 N 0.00 0.97 0.12 0.53 1.08 -1.88 0.19 117.51 118.52 2waq h ILE 392 Ca 0.00 -0.02 -0.32 0.00 -0.39 0.00 0.00 64.86 64.13 2waq h ILE 392 Cb 0.55 0.92 -0.01 0.00 -3.07 0.00 0.00 36.82 35.21 2waq h ILE 392 CO 0.00 0.01 -1.67 0.58 -0.69 0.00 0.00 178.15 176.38 2waq h VAL 393 N 0.05 0.99 0.01 1.67 2.07 -1.78 -3.35 116.25 115.90 2waq h VAL 393 Ca 0.05 -2.65 -0.00 0.00 0.82 0.00 0.00 66.70 64.91 2waq h VAL 393 Cb 0.13 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 2waq h VAL 393 CO -0.00 0.81 -0.00 0.74 0.02 0.00 0.00 177.57 179.13 2waq h THR 394 N 0.07 1.60 -0.35 2.57 2.02 -1.50 -3.22 112.91 114.10 2waq h THR 394 Ca -0.30 -1.86 -0.06 0.00 0.77 0.00 0.00 66.41 64.96 2waq h THR 394 Cb 2.04 2.85 -0.01 0.00 -1.74 0.00 0.00 68.15 71.28 2waq h THR 394 CO 0.15 0.48 -0.02 -0.33 0.37 0.00 0.00 175.52 176.17 2waq h GLU 395 N -0.81 0.63 0.00 6.66 4.39 -0.90 -2.52 114.58 122.04 2waq h GLU 395 Ca -0.00 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.49 2waq h GLU 395 Cb 0.79 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 2waq h GLU 395 CO 0.00 0.76 0.00 -2.13 -1.16 0.00 0.00 179.01 176.48 2waq n ARG 396 N -4.48 0.79 -0.00 2.33 0.63 -1.26 -1.67 116.66 112.99 2waq n ARG 396 Ca -0.02 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.94 2waq n ARG 396 Cb 0.29 -1.24 -0.04 0.00 0.45 0.00 0.00 32.46 31.92 2waq n ARG 396 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 2waq n ILE 397 N -0.74 0.00 -0.08 5.15 3.06 -0.98 -4.40 119.36 121.37 2waq n ILE 397 Ca 0.09 -0.22 -0.13 0.00 -2.50 0.00 0.00 62.75 59.99 2waq n ILE 397 Cb 0.04 0.60 -0.07 0.00 0.54 0.00 0.00 39.64 40.75 2waq n ILE 397 CO 0.00 0.00 0.00 -2.11 -2.50 0.00 0.00 176.55 171.94 2waq n ARG 398 N -1.50 0.40 0.00 9.51 1.85 -1.00 -3.89 116.66 122.04 2waq n ARG 398 Ca -0.00 0.11 0.00 0.00 -1.00 0.00 0.00 57.85 56.96 2waq n ARG 398 Cb 0.13 -1.29 0.01 0.00 -1.05 0.00 0.00 32.46 30.27 2waq n ARG 398 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2waq n HIS 399 N -3.11 0.00 -0.93 2.89 8.25 -0.67 -0.46 115.22 121.19 2waq n HIS 399 Ca -0.30 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.18 2waq n HIS 399 Cb 0.80 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.93 2waq n HIS 399 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2waq n ALA 400 N -0.51 1.66 0.25 -1.41 0.00 -1.26 -4.04 120.51 115.20 2waq n ALA 400 Ca 0.00 -1.04 0.03 0.00 0.00 0.00 0.00 53.44 52.43 2waq n ALA 400 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 19.45 19.29 2waq n ALA 400 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2waq n LEU 401 N -0.35 0.75 -0.02 0.00 7.94 0.40 -2.82 117.00 122.90 2waq n LEU 401 Ca 0.02 -0.70 -0.03 0.00 -1.11 0.00 0.00 56.01 54.19 2waq n LEU 401 Cb 0.49 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.41 2waq n LEU 401 CO 0.00 0.16 -0.65 0.00 -1.11 0.00 0.00 177.39 175.79 2waq n ALA 402 N -0.54 1.89 0.25 1.96 0.00 -0.17 -4.67 120.51 119.24 2waq n ALA 402 Ca 0.02 -0.25 0.13 0.00 0.00 0.00 0.00 53.44 53.34 2waq n ALA 402 Cb 0.11 0.26 0.64 0.00 0.00 0.00 0.00 19.45 20.46 2waq n ALA 402 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2waq h THR 403 N 0.00 0.48 0.00 0.00 1.03 -1.80 -3.46 112.91 109.16 2waq h THR 403 Ca -0.11 -0.75 0.00 0.00 -0.01 0.00 0.00 66.41 65.54 2waq h THR 403 Cb 1.22 1.52 0.00 0.00 -1.07 0.00 0.00 68.15 69.82 2waq h THR 403 CO -0.00 0.14 0.00 0.61 -0.01 0.00 0.00 175.52 176.26 2waq n GLY 404 N -0.29 1.72 0.91 2.99 0.00 -1.23 -4.72 105.19 104.56 2waq n GLY 404 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 2waq n GLY 404 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2waq n ASN 405 N 0.00 -5.35 0.00 1.61 2.85 -1.13 0.51 115.26 113.76 2waq n ASN 405 Ca 0.00 0.71 0.00 0.00 -0.11 0.00 0.00 54.58 55.18 2waq n ASN 405 Cb 0.00 -2.98 0.00 0.00 1.24 0.00 0.00 39.78 38.04 2waq n ASN 405 CO 0.00 0.00 0.00 1.87 -2.11 0.00 0.00 177.26 177.02 2waq n TRP 406 N -3.61 0.00 0.00 1.20 -0.00 -1.24 -4.45 117.44 109.35 2waq n TRP 406 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.47 2waq n TRP 406 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.74 2waq n TRP 406 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2waq n VAL 407 N 0.00 0.00 1.25 5.87 0.31 -1.26 -3.25 118.33 121.25 2waq n VAL 407 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2waq n VAL 407 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2waq n VAL 407 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2waq n GLY 408 N 0.00 0.86 2.29 2.92 0.00 -1.26 -4.81 105.19 105.19 2waq n GLY 408 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2waq n GLY 408 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2waq n GLY 409 N 0.13 0.79 3.54 -0.02 0.00 -1.20 -5.02 105.19 103.40 2waq n GLY 409 Ca 0.00 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 2waq n GLY 409 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2waq s ARG 410 N -2.08 1.96 0.28 1.61 3.00 -1.24 -5.09 118.95 117.39 2waq s ARG 410 Ca 0.00 -1.26 0.12 0.00 0.00 0.00 0.00 55.73 54.59 2waq s ARG 410 Cb 0.00 -2.13 -0.05 0.00 0.00 0.00 0.00 34.95 32.77 2waq s ARG 410 CO 0.00 0.44 -0.18 -0.08 0.00 0.00 0.00 175.30 175.48 2waq s THR 411 N -1.57 2.55 -0.98 0.02 -1.32 -1.26 -3.67 115.64 109.42 2waq s THR 411 Ca 0.23 -2.37 -0.01 0.00 -1.21 0.00 0.00 61.69 58.33 2waq s THR 411 Cb -0.09 -2.34 -0.01 0.00 -1.51 0.00 0.00 72.50 68.54 2waq s THR 411 CO 0.14 -0.40 0.82 0.61 -2.21 0.00 0.00 174.62 173.58 2waq n GLY 412 N -0.64 -0.35 0.12 6.08 0.00 0.18 -4.98 105.19 105.60 2waq n GLY 412 Ca -0.05 0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 2waq n GLY 412 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2waq n VAL 413 N -3.48 1.51 -3.69 1.61 0.31 0.18 -4.90 118.33 109.87 2waq n VAL 413 Ca -0.21 -0.16 -0.37 0.00 -0.01 0.00 0.00 64.34 63.60 2waq n VAL 413 Cb 0.63 -2.06 -0.11 0.00 -0.91 0.00 0.00 33.84 31.39 2waq n VAL 413 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2waq s SER 414 N -6.87 5.62 0.51 4.52 1.04 -1.25 -2.48 113.70 114.79 2waq s SER 414 Ca -0.33 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.02 2waq s SER 414 Cb 0.10 -2.03 -0.00 0.00 0.10 0.00 0.00 66.02 64.19 2waq s SER 414 CO 0.47 -0.02 0.01 0.00 0.98 0.00 0.00 173.24 174.68 2waq n GLN 415 N 4.85 0.74 -2.74 4.02 10.64 -0.65 -3.54 117.38 130.70 2waq n GLN 415 Ca -0.15 -3.77 -0.42 0.00 -1.83 0.00 0.00 57.00 50.84 2waq n GLN 415 Cb 0.52 1.06 -0.04 0.00 -0.86 0.00 0.00 30.24 30.93 2waq n GLN 415 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 2waq s LEU 416 N 0.00 4.41 0.31 2.61 2.96 -1.26 -1.04 118.68 126.67 2waq s LEU 416 Ca 0.01 1.68 -0.29 0.00 -0.22 0.00 0.00 54.13 55.30 2waq s LEU 416 Cb 0.00 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 43.04 2waq s LEU 416 CO 0.01 -0.18 1.53 -0.22 -1.32 0.00 0.00 176.35 176.16 2waq s LEU 417 N 0.65 4.35 -0.71 -0.68 2.96 -1.23 -4.89 118.68 119.12 2waq s LEU 417 Ca 0.49 2.91 -0.21 0.00 -0.22 0.00 0.00 54.13 57.10 2waq s LEU 417 Cb -0.22 -3.64 0.10 0.00 0.50 0.00 0.00 46.19 42.93 2waq s LEU 417 CO 0.28 -0.85 0.94 -0.62 -1.32 0.00 0.00 176.35 174.79 2waq s ASP 418 N 0.28 6.30 -0.34 3.68 2.15 -1.26 -4.90 116.67 122.57 2waq s ASP 418 Ca 0.59 -1.38 0.00 0.00 0.43 0.00 0.00 52.55 52.20 2waq s ASP 418 Cb -0.46 -2.38 0.32 0.00 -0.30 0.00 0.00 42.92 40.10 2waq s ASP 418 CO 0.51 -1.26 1.80 0.54 -0.17 0.00 0.00 175.17 176.59 2waq n ARG 419 N 7.05 1.88 -2.90 4.34 3.00 -1.26 -1.87 116.66 126.90 2waq n ARG 419 Ca 0.02 -1.86 -0.44 0.00 -0.01 0.00 0.00 57.85 55.56 2waq n ARG 419 Cb 0.46 -1.73 -0.01 0.00 0.00 0.00 0.00 32.46 31.17 2waq n ARG 419 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2waq s THR 420 N -2.43 4.79 0.32 0.55 2.01 -1.26 -4.80 115.64 114.82 2waq s THR 420 Ca 0.36 -2.01 0.00 0.00 0.31 0.00 0.00 61.69 60.35 2waq s THR 420 Cb 0.29 -4.87 0.00 0.00 0.01 0.00 0.00 72.50 67.93 2waq s THR 420 CO 0.03 -1.60 0.00 -0.46 -0.69 0.00 0.00 174.62 171.90 2waq n ASN 421 N 6.36 -4.14 -0.02 3.53 0.23 -1.26 -4.19 115.26 115.77 2waq n ASN 421 Ca 0.31 0.81 -0.03 0.00 -0.53 0.00 0.00 54.58 55.14 2waq n ASN 421 Cb 0.46 -2.50 0.21 0.00 -2.08 0.00 0.00 39.78 35.87 2waq n ASN 421 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2waq h TRP 422 N -0.56 0.63 -0.77 -2.53 7.01 -1.72 -2.90 115.95 115.11 2waq h TRP 422 Ca -0.08 -0.11 -0.01 0.00 2.11 0.00 0.00 58.89 60.80 2waq h TRP 422 Cb 0.67 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.53 2waq h TRP 422 CO 0.03 0.69 0.43 1.25 -2.79 0.00 0.00 178.44 178.05 2waq h LEU 423 N 0.53 0.94 -0.47 0.65 5.85 -1.86 -2.87 115.31 118.08 2waq h LEU 423 Ca 0.09 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.78 2waq h LEU 423 Cb 0.55 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 2waq h LEU 423 CO 0.03 0.75 0.24 -1.28 -0.34 0.00 0.00 178.44 177.84 2waq h SER 424 N 1.07 0.35 -0.40 1.25 0.87 -1.67 -1.18 113.55 113.84 2waq h SER 424 Ca 0.27 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.82 2waq h SER 424 Cb 0.00 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 2waq h SER 424 CO -0.05 0.25 0.11 -0.03 -0.53 0.00 0.00 176.83 176.58 2waq h MET 425 N 0.48 0.63 0.00 2.24 1.85 -1.31 -2.46 114.93 116.35 2waq h MET 425 Ca 0.20 -0.14 -0.01 0.00 -0.61 0.00 0.00 59.70 59.15 2waq h MET 425 Cb 0.10 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 32.05 2waq h MET 425 CO -0.14 0.64 -0.03 1.25 -0.40 0.00 0.00 176.91 178.22 2waq h LEU 426 N 0.50 0.00 0.20 3.39 6.46 -1.14 -0.69 115.31 124.03 2waq h LEU 426 Ca 0.13 0.00 -0.32 0.00 -0.12 0.00 0.00 57.88 57.57 2waq h LEU 426 Cb 0.28 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 40.23 2waq h LEU 426 CO -0.00 0.03 -1.42 -1.28 -0.62 0.00 0.00 178.44 175.15 2waq h SER 427 N 0.00 0.66 -0.84 1.25 0.87 -1.17 -3.34 113.55 110.98 2waq h SER 427 Ca -0.00 -0.73 0.11 0.00 -1.23 0.00 0.00 61.79 59.94 2waq h SER 427 Cb 0.07 -0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 61.75 2waq h SER 427 CO 0.00 1.58 0.54 -0.74 -0.53 0.00 0.00 176.83 177.68 2waq h HIS 428 N 0.12 0.80 0.00 2.24 6.17 -0.64 0.12 115.15 123.96 2waq h HIS 428 Ca -0.22 0.02 0.00 0.00 0.71 0.00 0.00 60.37 60.88 2waq h HIS 428 Cb 2.09 -0.26 0.00 0.00 2.52 0.00 0.00 27.41 31.76 2waq h HIS 428 CO 0.10 0.34 0.00 1.28 0.71 0.00 0.00 177.93 180.36 2waq n LEU 429 N -4.53 0.00 0.00 0.26 4.77 -0.99 -2.48 117.00 114.03 2waq n LEU 429 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2waq n LEU 429 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2waq n LEU 429 CO 0.31 0.00 0.20 0.54 -1.33 0.00 0.00 177.39 177.11 2waq n ARG 430 N -0.78 -0.56 -1.90 3.23 1.74 0.36 -4.74 116.66 114.01 2waq n ARG 430 Ca 0.12 -0.43 -0.32 0.00 -0.77 0.00 0.00 57.85 56.45 2waq n ARG 430 Cb 0.06 -0.88 0.02 0.00 -1.02 0.00 0.00 32.46 30.64 2waq n ARG 430 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2waq s ARG 431 N -0.05 3.21 0.11 5.56 0.52 -0.78 -0.69 118.95 126.83 2waq s ARG 431 Ca 0.00 1.13 0.03 0.00 -0.52 0.00 0.00 55.73 56.36 2waq s ARG 431 Cb 0.00 -2.02 -0.04 0.00 0.52 0.00 0.00 34.95 33.41 2waq s ARG 431 CO 0.00 -0.90 -0.08 0.14 0.02 0.00 0.00 175.30 174.48 2waq s VAL 432 N -2.64 0.88 -0.04 3.52 -7.23 -0.80 -3.45 120.40 110.65 2waq s VAL 432 Ca 0.62 -1.91 -0.03 0.00 -1.81 0.00 0.00 61.98 58.85 2waq s VAL 432 Cb -0.15 -1.66 0.01 0.00 0.56 0.00 0.00 36.38 35.14 2waq s VAL 432 CO 0.42 -0.77 0.09 -0.63 -0.31 0.00 0.00 175.10 173.90 2waq s ILE 433 N -3.30 -0.01 0.74 -0.62 1.01 -0.40 -2.69 121.20 115.92 2waq s ILE 433 Ca 0.12 0.04 -0.13 0.00 0.00 0.00 0.00 60.65 60.68 2waq s ILE 433 Cb 0.03 -0.15 0.04 0.00 0.01 0.00 0.00 42.46 42.39 2waq s ILE 433 CO -0.02 0.02 1.12 -0.94 0.00 0.00 0.00 174.94 175.12 2waq s SER 434 N 0.28 4.53 0.04 3.58 1.04 -0.10 0.46 113.70 123.54 2waq s SER 434 Ca -0.02 2.01 0.23 0.00 0.48 0.00 0.00 55.95 58.66 2waq s SER 434 Cb -0.03 -2.55 0.19 0.00 0.10 0.00 0.00 66.02 63.73 2waq s SER 434 CO -0.01 -2.02 1.17 -0.24 0.98 0.00 0.00 173.24 173.12 2waq n SER 435 N -3.03 0.63 -3.61 7.02 2.88 -0.03 -4.72 113.62 112.77 2waq n SER 435 Ca 0.11 -0.28 -0.11 0.00 -1.33 0.00 0.00 58.87 57.26 2waq n SER 435 Cb 0.52 0.57 -0.11 0.00 -0.75 0.00 0.00 64.21 64.44 2waq n SER 435 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2waq s LEU 436 N -3.56 -0.48 0.00 2.46 1.98 -1.26 -5.04 118.68 112.79 2waq s LEU 436 Ca 0.07 0.67 0.00 0.00 -2.89 0.00 0.00 54.13 51.98 2waq s LEU 436 Cb 0.15 1.01 0.00 0.00 0.66 0.00 0.00 46.19 48.02 2waq s LEU 436 CO 0.77 -0.25 0.00 0.00 -1.89 0.00 0.00 176.35 174.98 2waq n ALA 437 N 5.37 0.00 -2.06 5.97 0.00 -1.26 -5.11 120.51 123.42 2waq n ALA 437 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 2waq n ALA 437 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.92 2waq n ALA 437 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2waq n ARG 438 N 0.00 -2.88 0.00 0.00 0.63 -1.26 -4.28 116.66 108.87 2waq n ARG 438 Ca 0.00 2.34 0.00 0.00 -0.92 0.00 0.00 57.85 59.27 2waq n ARG 438 Cb 0.00 -3.34 0.00 0.00 0.45 0.00 0.00 32.46 29.57 2waq n ARG 438 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2waq n GLY 439 N 1.05 0.95 3.50 5.14 0.00 -1.26 -4.93 105.19 109.64 2waq n GLY 439 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 2waq n GLY 439 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2waq n GLN 440 N 0.00 0.78 -0.69 1.61 1.13 -1.26 -4.80 117.38 114.16 2waq n GLN 440 Ca 0.00 0.28 -0.18 0.00 -1.94 0.00 0.00 57.00 55.16 2waq n GLN 440 Cb 0.00 -1.59 -0.03 0.00 0.11 0.00 0.00 30.24 28.73 2waq n GLN 440 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2waq n PRO 441 N 0.63 1.84 -2.41 -1.09 -0.04 -1.26 -4.89 135.00 127.79 2waq n PRO 441 Ca 0.12 -1.25 -0.42 0.00 -0.04 0.00 0.00 63.50 61.90 2waq n PRO 441 Cb 0.36 -2.30 -0.02 0.00 -0.04 0.00 0.00 33.50 31.49 2waq n PRO 441 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2waq s ASN 442 N 3.23 6.30 0.00 3.54 0.02 -1.26 -4.67 114.94 122.10 2waq s ASN 442 Ca 0.38 0.55 0.00 0.00 -1.02 0.00 0.00 52.86 52.77 2waq s ASN 442 Cb 0.12 -2.54 0.00 0.00 0.02 0.00 0.00 41.25 38.84 2waq s ASN 442 CO -0.03 -1.52 0.00 0.49 0.02 0.00 0.00 177.10 176.07 2waq n PHE 443 N 8.96 0.00 0.22 2.20 3.01 -1.26 -4.64 117.46 125.95 2waq n PHE 443 Ca 0.14 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.71 2waq n PHE 443 Cb 0.49 0.00 0.30 0.00 -0.01 0.00 0.00 39.48 40.25 2waq n PHE 443 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2waq h GLU 444 N 0.00 0.00 0.01 -1.08 4.57 -1.96 -3.27 114.58 112.85 2waq h GLU 444 Ca 0.00 0.00 -0.37 0.00 -1.18 0.00 0.00 59.36 57.81 2waq h GLU 444 Cb 0.41 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.94 2waq h GLU 444 CO 0.00 0.12 -2.31 0.00 -1.18 0.00 0.00 179.01 175.64 2waq n ALA 445 N -2.14 1.44 -0.26 2.92 0.00 -1.26 -4.56 120.51 116.65 2waq n ALA 445 Ca 0.02 -1.15 -0.07 0.00 0.00 0.00 0.00 53.44 52.24 2waq n ALA 445 Cb 0.50 -0.27 0.05 0.00 0.00 0.00 0.00 19.45 19.73 2waq n ALA 445 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2waq h ARG 446 N 0.00 1.07 -6.80 0.00 3.08 -1.82 -3.44 114.38 106.48 2waq h ARG 446 Ca -0.52 -0.20 -0.52 0.00 0.07 0.00 0.00 59.98 58.81 2waq h ARG 446 Cb 2.10 -0.17 0.04 0.00 0.08 0.00 0.00 29.97 32.02 2waq h ARG 446 CO 0.00 0.89 0.58 0.16 -1.07 0.00 0.00 179.97 180.53 2waq s ASP 447 N -6.26 6.99 0.15 7.04 -4.77 -1.23 -4.50 116.67 114.09 2waq s ASP 447 Ca -0.13 2.46 -0.34 0.00 -3.30 0.00 0.00 52.55 51.24 2waq s ASP 447 Cb 0.14 -2.63 -0.15 0.00 -1.09 0.00 0.00 42.92 39.19 2waq s ASP 447 CO 0.82 -0.38 1.40 -0.11 0.70 0.00 0.00 175.17 177.60 2waq n LEU 448 N 1.40 2.39 -4.68 2.11 0.00 -1.26 -4.97 117.00 111.99 2waq n LEU 448 Ca 0.01 1.11 -0.35 0.00 0.00 0.00 0.00 56.01 56.79 2waq n LEU 448 Cb 0.43 -1.32 -0.09 0.00 0.00 0.00 0.00 43.42 42.44 2waq n LEU 448 CO 0.57 -0.73 -0.30 -2.28 0.00 0.00 0.00 177.39 174.66 2waq s HIS 449 N 0.41 3.19 0.45 1.96 5.65 -1.26 -5.01 115.29 120.68 2waq s HIS 449 Ca 0.78 0.16 0.18 0.00 0.25 0.00 0.00 55.06 56.43 2waq s HIS 449 Cb -0.79 -1.84 1.13 0.00 -1.18 0.00 0.00 32.58 29.90 2waq s HIS 449 CO 0.45 0.41 1.91 0.78 -0.65 0.00 0.00 174.74 177.65 2waq h GLY 450 N 5.44 0.60 1.90 1.59 0.00 -1.94 0.47 103.07 111.12 2waq h GLY 450 Ca -0.48 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.71 2waq h GLY 450 CO 0.57 0.03 0.00 -1.30 0.00 0.00 0.00 176.54 175.84 2waq n THR 451 N -4.46 0.90 0.43 4.70 -2.24 -1.26 -2.43 114.28 109.92 2waq n THR 451 Ca 0.15 0.23 0.13 0.00 -2.27 0.00 0.00 64.05 62.29 2waq n THR 451 Cb 0.61 -0.98 0.35 0.00 -2.10 0.00 0.00 70.33 68.20 2waq n THR 451 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2waq h GLN 452 N 0.00 0.00 -5.50 -0.78 4.20 -1.26 -3.44 115.11 108.33 2waq h GLN 452 Ca 0.00 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.23 2waq h GLN 452 Cb 0.22 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2waq h GLN 452 CO 0.00 0.00 1.65 1.87 -0.67 0.00 0.00 178.83 181.68 2waq n TRP 453 N -2.63 1.27 -0.14 2.96 -0.00 -1.02 -0.56 117.44 117.32 2waq n TRP 453 Ca 0.04 0.17 0.00 0.00 -0.00 0.00 0.00 57.50 57.72 2waq n TRP 453 Cb 0.44 -2.58 0.00 0.00 -0.00 0.00 0.00 31.31 29.17 2waq n TRP 453 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2waq n GLY 454 N 6.13 0.62 0.80 5.87 0.00 -1.26 -4.91 105.19 112.43 2waq n GLY 454 Ca 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.39 2waq n GLY 454 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2waq n ARG 455 N -2.02 0.14 -4.61 1.61 1.74 0.27 -4.59 116.66 109.21 2waq n ARG 455 Ca 0.00 0.06 -0.32 0.00 -0.77 0.00 0.00 57.85 56.82 2waq n ARG 455 Cb 0.00 -0.74 -0.11 0.00 -1.02 0.00 0.00 32.46 30.59 2waq n ARG 455 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2waq s MET 456 N -2.15 2.50 0.20 5.56 -1.94 -0.68 -1.79 119.30 121.00 2waq s MET 456 Ca -0.09 -0.73 -0.30 0.00 -1.71 0.00 0.00 55.69 52.86 2waq s MET 456 Cb 0.03 -2.44 -0.09 0.00 2.01 0.00 0.00 34.83 34.34 2waq s MET 456 CO 0.12 0.61 1.33 0.00 -0.01 0.00 0.00 175.02 177.07 2waq h PRO 458 N 5.48 0.23 0.00 0.00 0.11 -1.93 -3.39 132.00 132.49 2waq h PRO 458 Ca -0.45 -0.23 0.00 0.00 0.11 0.00 0.00 66.00 65.44 2waq h PRO 458 Cb 1.21 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2waq h PRO 458 CO 0.78 0.93 -0.08 0.74 -0.21 0.00 0.00 178.00 180.16 2waq h PHE 459 N 0.14 0.00 -0.03 0.65 0.04 -1.95 -3.44 116.94 112.36 2waq h PHE 459 Ca -0.04 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 2waq h PHE 459 Cb 1.42 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.57 2waq h PHE 459 CO 0.03 0.00 0.61 0.39 -0.60 0.00 0.00 178.31 178.74 2waq n GLU 460 N -3.79 0.03 -3.74 1.51 1.02 -1.26 -4.70 120.64 109.71 2waq n GLU 460 Ca -0.01 -0.67 -0.13 0.00 -0.02 0.00 0.00 57.16 56.32 2waq n GLU 460 Cb 0.04 -2.16 -0.14 0.00 -0.02 0.00 0.00 31.44 29.16 2waq n GLU 460 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2waq s THR 461 N 6.97 -0.04 0.69 2.62 2.01 -1.26 -3.92 115.64 122.71 2waq s THR 461 Ca 0.33 0.16 -0.15 0.00 0.31 0.00 0.00 61.69 62.34 2waq s THR 461 Cb -0.01 -0.28 0.02 0.00 0.01 0.00 0.00 72.50 72.23 2waq s THR 461 CO 0.08 0.07 1.17 -2.16 -0.69 0.00 0.00 174.62 173.08 2waq s PRO 462 N 1.15 2.48 0.61 4.92 0.04 -1.26 -4.86 135.00 138.07 2waq s PRO 462 Ca -0.09 1.61 -0.10 0.00 0.04 0.00 0.00 61.00 62.47 2waq s PRO 462 Cb -0.11 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 2waq s PRO 462 CO -0.06 -1.54 0.99 -1.21 0.04 0.00 0.00 177.00 175.22 2waq s GLU 463 N -3.93 3.39 1.34 4.56 8.01 -1.26 -3.65 118.70 127.17 2waq s GLU 463 Ca 0.71 0.54 0.00 0.00 0.01 0.00 0.00 54.97 56.23 2waq s GLU 463 Cb -0.26 -2.13 0.00 0.00 -4.31 0.00 0.00 34.13 27.43 2waq s GLU 463 CO 0.42 -0.61 0.00 0.41 0.01 0.00 0.00 175.26 175.50 2waq n GLY 464 N -2.70 -1.41 0.12 -1.39 0.00 -1.26 -4.41 105.19 94.14 2waq n GLY 464 Ca 0.05 -1.55 0.08 0.00 0.00 0.00 0.00 46.02 44.61 2waq n GLY 464 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2waq n PRO 465 N 0.00 0.10 -0.53 1.61 -0.02 -1.26 -1.64 135.00 133.26 2waq n PRO 465 Ca 0.00 0.60 0.09 0.00 -2.02 0.00 0.00 63.50 62.17 2waq n PRO 465 Cb 0.00 -1.87 0.32 0.00 -0.02 0.00 0.00 33.50 31.93 2waq n PRO 465 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2waq n ASN 466 N -2.06 4.39 -4.56 2.55 5.03 -1.26 -4.89 115.26 114.46 2waq n ASN 466 Ca -0.01 -2.44 -0.24 0.00 0.87 0.00 0.00 54.58 52.77 2waq n ASN 466 Cb 0.05 -0.52 -0.06 0.00 -1.02 0.00 0.00 39.78 38.23 2waq n ASN 466 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2waq s SER 467 N -1.05 4.80 0.00 6.41 0.15 -0.65 -2.58 113.70 120.77 2waq s SER 467 Ca 0.46 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 56.41 2waq s SER 467 Cb 0.30 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 2waq s SER 467 CO 0.22 -3.12 0.00 0.61 1.20 0.00 0.00 173.24 172.15 2waq n GLY 468 N 6.66 2.66 0.17 9.45 0.00 -1.26 -4.72 105.19 118.14 2waq n GLY 468 Ca 0.42 -0.70 0.04 0.00 0.00 0.00 0.00 46.02 45.78 2waq n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2waq h LEU 469 N 0.00 0.00 -7.79 0.99 3.38 -1.82 -3.40 115.31 106.67 2waq h LEU 469 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 2waq h LEU 469 Cb 0.00 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 40.38 2waq h LEU 469 CO 0.00 0.46 -0.81 0.54 0.09 0.00 0.00 178.44 178.72 2waq s VAL 470 N -3.42 1.61 0.00 1.22 0.11 -1.21 -0.92 120.40 117.79 2waq s VAL 470 Ca 0.01 -0.95 0.00 0.00 -2.93 0.00 0.00 61.98 58.11 2waq s VAL 470 Cb 0.10 -1.67 0.00 0.00 -1.53 0.00 0.00 36.38 33.28 2waq s VAL 470 CO 0.71 0.19 0.00 2.29 -3.33 0.00 0.00 175.10 174.97 2waq n LYS 471 N 4.70 3.07 -4.19 1.54 2.85 -1.09 -4.39 118.16 120.65 2waq n LYS 471 Ca -0.15 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 56.98 2waq n LYS 471 Cb 0.47 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.75 2waq n LYS 471 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2waq s ASN 472 N 1.00 1.44 -0.06 -5.58 -0.87 -1.25 -1.89 114.94 107.72 2waq s ASN 472 Ca 0.00 -0.93 -0.30 0.00 -1.57 0.00 0.00 52.86 50.06 2waq s ASN 472 Cb 0.00 0.03 -0.03 0.00 -0.02 0.00 0.00 41.25 41.23 2waq s ASN 472 CO 0.00 -0.35 1.13 -0.76 -2.57 0.00 0.00 177.10 174.55 2waq s LEU 473 N -2.83 4.28 0.73 0.60 1.43 0.13 -2.53 118.68 120.49 2waq s LEU 473 Ca 0.10 1.73 -0.12 0.00 -1.03 0.00 0.00 54.13 54.82 2waq s LEU 473 Cb 0.01 -3.56 0.03 0.00 0.03 0.00 0.00 46.19 42.70 2waq s LEU 473 CO -0.01 -0.51 1.09 0.00 0.23 0.00 0.00 176.35 177.14 2waq s ALA 474 N 1.97 2.40 0.70 4.21 0.00 -0.74 -4.27 121.76 126.04 2waq s ALA 474 Ca 0.53 0.29 -0.17 0.00 0.00 0.00 0.00 51.96 52.62 2waq s ALA 474 Cb -0.23 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.64 2waq s ALA 474 CO 0.22 -1.52 1.15 1.28 0.00 0.00 0.00 175.76 176.89 2waq n LEU 475 N -3.15 4.77 -3.54 0.00 4.77 -0.76 -3.36 117.00 115.72 2waq n LEU 475 Ca 0.09 0.73 -0.20 0.00 -0.03 0.00 0.00 56.01 56.60 2waq n LEU 475 Cb 0.53 -1.49 0.06 0.00 -2.33 0.00 0.00 43.42 40.19 2waq n LEU 475 CO 0.52 -1.52 0.00 0.23 -1.33 0.00 0.00 177.39 175.29 2waq n MET 476 N -2.06 -4.57 -3.81 3.23 2.81 -1.26 -4.65 117.12 106.81 2waq n MET 476 Ca 0.14 0.72 -0.28 0.00 -1.81 0.00 0.00 57.70 56.47 2waq n MET 476 Cb 0.49 -5.39 -0.16 0.00 -0.71 0.00 0.00 33.22 27.44 2waq n MET 476 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2waq s ALA 477 N -3.51 1.31 0.06 3.04 0.00 -1.21 -4.49 121.76 116.96 2waq s ALA 477 Ca 0.13 -0.87 -0.04 0.00 0.00 0.00 0.00 51.96 51.17 2waq s ALA 477 Cb -0.03 -1.23 -0.05 0.00 0.00 0.00 0.00 23.12 21.82 2waq s ALA 477 CO 0.78 -1.11 0.28 -0.65 0.00 0.00 0.00 175.76 175.06 2waq s GLN 478 N 1.71 3.56 -0.39 0.00 -0.21 -1.11 -4.95 119.66 118.26 2waq s GLN 478 Ca -0.02 -0.17 -0.06 0.00 0.02 0.00 0.00 55.36 55.14 2waq s GLN 478 Cb -0.17 -3.00 0.08 0.00 1.00 0.00 0.00 33.01 30.92 2waq s GLN 478 CO -0.07 0.59 0.19 0.42 -2.12 0.00 0.00 175.29 174.29 2waq s ILE 479 N -1.45 3.68 0.08 1.08 1.01 -1.26 -0.89 121.20 123.45 2waq s ILE 479 Ca 0.33 -1.61 -0.34 0.00 0.00 0.00 0.00 60.65 59.04 2waq s ILE 479 Cb -0.13 -3.31 -0.13 0.00 0.01 0.00 0.00 42.46 38.90 2waq s ILE 479 CO 0.21 -0.49 1.69 0.00 0.00 0.00 0.00 174.94 176.36 2waq n ALA 480 N 4.75 1.25 -2.14 9.38 0.00 0.11 -4.79 120.51 129.07 2waq n ALA 480 Ca -0.08 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.34 2waq n ALA 480 Cb 0.42 -2.41 -0.05 0.00 0.00 0.00 0.00 19.45 17.41 2waq n ALA 480 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2waq s VAL 481 N 2.05 4.40 0.55 0.00 -7.23 -1.26 -1.62 120.40 117.29 2waq s VAL 481 Ca 0.83 2.05 -0.18 0.00 -1.81 0.00 0.00 61.98 62.87 2waq s VAL 481 Cb -0.67 -4.31 -0.06 0.00 0.56 0.00 0.00 36.38 31.90 2waq s VAL 481 CO 0.42 0.37 1.08 -0.83 -0.31 0.00 0.00 175.10 175.83 2waq s GLY 482 N -0.32 2.43 0.09 2.32 0.00 -1.26 -4.74 107.32 105.83 2waq s GLY 482 Ca 0.45 0.63 0.09 0.00 0.00 0.00 0.00 44.72 45.89 2waq s GLY 482 CO 0.30 0.96 -0.21 -0.42 0.00 0.00 0.00 173.10 173.73 2waq s ILE 483 N -2.05 2.60 0.31 0.90 1.01 -0.31 -4.86 121.20 118.81 2waq s ILE 483 Ca 0.68 -1.45 -0.29 0.00 0.00 0.00 0.00 60.65 59.60 2waq s ILE 483 Cb -0.19 -2.13 -0.10 0.00 0.01 0.00 0.00 42.46 40.05 2waq s ILE 483 CO 0.28 0.21 1.23 0.21 0.00 0.00 0.00 174.94 176.87 2waq s ASN 484 N -1.78 6.95 0.10 3.58 3.84 -1.26 -4.56 114.94 121.81 2waq s ASN 484 Ca 0.15 2.53 -0.20 0.00 0.21 0.00 0.00 52.86 55.55 2waq s ASN 484 Cb -0.10 -2.64 -0.09 0.00 -0.55 0.00 0.00 41.25 37.87 2waq s ASN 484 CO 0.07 -0.39 1.68 -0.33 -2.79 0.00 0.00 177.10 175.34 2waq h GLU 485 N 3.52 0.24 -1.19 0.43 5.08 -1.99 -3.21 114.58 117.47 2waq h GLU 485 Ca -0.48 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2waq h GLU 485 Cb 1.22 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2waq h GLU 485 CO 0.66 0.26 0.00 1.63 -1.00 0.00 0.00 179.01 180.56 2waq n LYS 486 N -4.90 0.64 0.00 2.33 5.02 -1.26 0.02 118.16 120.01 2waq n LYS 486 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2waq n LYS 486 Cb 0.08 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 2waq n LYS 486 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2waq n ILE 487 N 0.56 0.00 0.02 -0.18 2.08 -1.21 -4.54 119.36 116.08 2waq n ILE 487 Ca 0.00 0.00 -0.19 0.00 0.56 0.00 0.00 62.75 63.12 2waq n ILE 487 Cb 0.28 -0.40 -0.09 0.00 -0.75 0.00 0.00 39.64 38.68 2waq n ILE 487 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 2waq h VAL 488 N 0.00 1.29 0.00 1.39 2.07 -1.13 -3.22 116.25 116.66 2waq h VAL 488 Ca 0.00 -2.13 -0.16 0.00 0.82 0.00 0.00 66.70 65.22 2waq h VAL 488 Cb 0.65 2.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 2waq h VAL 488 CO 0.00 0.66 -0.78 1.05 0.02 0.00 0.00 177.57 178.52 2waq h GLU 489 N 0.40 0.00 0.00 1.57 4.11 -0.71 -3.14 114.58 116.81 2waq h GLU 489 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.33 2waq h GLU 489 Cb 1.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.81 2waq h GLU 489 CO 0.18 0.78 0.00 1.63 0.07 0.00 0.00 179.01 181.67 2waq n LYS 490 N -3.37 0.92 -0.00 1.06 5.02 -1.24 -2.35 118.16 118.20 2waq n LYS 490 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 2waq n LYS 490 Cb 0.82 -1.39 -0.05 0.00 -0.02 0.00 0.00 35.03 34.40 2waq n LYS 490 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2waq n THR 491 N -0.89 0.00 -0.16 -0.18 -1.04 -1.19 -4.50 114.28 106.32 2waq n THR 491 Ca 0.17 -0.28 -0.11 0.00 -2.04 0.00 0.00 64.05 61.79 2waq n THR 491 Cb 0.08 0.86 -0.00 0.00 -1.82 0.00 0.00 70.33 69.45 2waq n THR 491 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2waq h LEU 492 N 0.00 0.90 0.00 -4.42 3.38 -1.45 -2.85 115.31 110.87 2waq h LEU 492 Ca 0.00 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2waq h LEU 492 Cb 0.23 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2waq h LEU 492 CO 0.00 1.04 0.00 -1.22 0.09 0.00 0.00 178.44 178.35 2waq n TYR 493 N -4.25 0.00 0.93 1.13 4.02 -1.24 -0.74 117.16 117.00 2waq n TYR 493 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.01 2waq n TYR 493 Cb 0.37 -0.39 0.27 0.00 -0.02 0.00 0.00 39.34 39.57 2waq n TYR 493 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2waq n GLU 494 N -1.39 0.05 -0.17 -0.72 1.02 -1.08 -4.09 120.64 114.25 2waq n GLU 494 Ca 0.05 0.01 0.06 0.00 -0.02 0.00 0.00 57.16 57.26 2waq n GLU 494 Cb 0.13 -1.53 0.15 0.00 -0.02 0.00 0.00 31.44 30.17 2waq n GLU 494 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2waq n MET 495 N -1.60 2.75 0.00 3.49 2.81 0.08 -4.96 117.12 119.69 2waq n MET 495 Ca 0.05 -2.02 0.00 0.00 -1.81 0.00 0.00 57.70 53.93 2waq n MET 495 Cb 0.35 -1.27 0.00 0.00 -0.71 0.00 0.00 33.22 31.59 2waq n MET 495 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2waq n GLY 496 N 0.54 0.72 3.65 3.03 0.00 -1.20 -4.99 105.19 106.94 2waq n GLY 496 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2waq n GLY 496 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2waq s VAL 497 N -2.00 3.34 -0.31 1.61 1.01 -1.13 -4.65 120.40 118.27 2waq s VAL 497 Ca 0.00 0.41 -0.11 0.00 0.00 0.00 0.00 61.98 62.28 2waq s VAL 497 Cb 0.00 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 2waq s VAL 497 CO 0.00 -0.07 0.18 -0.69 0.00 0.00 0.00 175.10 174.52 2waq s VAL 498 N 4.84 4.92 0.81 2.92 1.01 -1.26 -4.38 120.40 129.27 2waq s VAL 498 Ca 0.81 -0.24 -0.13 0.00 0.00 0.00 0.00 61.98 62.42 2waq s VAL 498 Cb -0.35 -3.47 0.09 0.00 0.00 0.00 0.00 36.38 32.65 2waq s VAL 498 CO 0.34 0.09 1.21 -2.16 0.00 0.00 0.00 175.10 174.58 2waq s PRO 499 N 1.67 1.58 0.35 2.72 0.04 -1.26 -1.55 135.00 138.56 2waq s PRO 499 Ca 0.06 1.77 0.03 0.00 0.04 0.00 0.00 61.00 62.89 2waq s PRO 499 Cb -0.17 -1.77 0.65 0.00 0.04 0.00 0.00 34.50 33.26 2waq s PRO 499 CO 0.08 -2.26 2.00 0.28 0.04 0.00 0.00 177.00 177.15 2waq h VAL 500 N -0.95 1.14 -1.01 -0.36 2.07 -1.82 -2.60 116.25 112.73 2waq h VAL 500 Ca -0.46 -0.29 0.23 0.00 0.82 0.00 0.00 66.70 67.00 2waq h VAL 500 Cb 1.30 0.22 -0.12 0.00 -1.52 0.00 0.00 31.29 31.17 2waq h VAL 500 CO 0.46 0.15 0.60 -0.08 0.02 0.00 0.00 177.57 178.73 2waq h GLU 501 N 0.84 0.62 0.05 1.57 4.81 -1.91 -2.68 114.58 117.88 2waq h GLU 501 Ca 0.25 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 2waq h GLU 501 Cb -0.04 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.21 2waq h GLU 501 CO -0.06 0.41 -0.29 1.49 -0.73 0.00 0.00 179.01 179.83 2waq h GLU 502 N 0.64 0.11 0.00 1.92 4.81 -1.82 -3.36 114.58 116.88 2waq h GLU 502 Ca 0.62 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.64 2waq h GLU 502 Cb 1.12 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 2waq h GLU 502 CO -0.44 1.07 -0.11 0.28 -0.73 0.00 0.00 179.01 179.09 2waq h VAL 503 N -0.75 0.42 -0.15 0.32 2.07 -1.44 -1.60 116.25 115.12 2waq h VAL 503 Ca -0.05 -0.57 -0.07 0.00 0.82 0.00 0.00 66.70 66.83 2waq h VAL 503 Cb 1.21 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 2waq h VAL 503 CO 0.05 0.11 -0.17 0.40 0.02 0.00 0.00 177.57 177.98 2waq h ILE 504 N 0.00 1.35 -2.27 4.57 1.08 -1.67 -3.31 117.51 117.26 2waq h ILE 504 Ca -0.00 -1.35 -0.75 0.00 -0.39 0.00 0.00 64.86 62.37 2waq h ILE 504 Cb 0.40 1.89 -0.31 0.00 -3.07 0.00 0.00 36.82 35.72 2waq h ILE 504 CO 0.01 0.40 0.55 -2.11 -0.69 0.00 0.00 178.15 176.32 2waq n ARG 505 N -4.52 4.81 0.00 2.37 -4.01 -0.66 -4.46 116.66 110.19 2waq n ARG 505 Ca -0.06 -4.73 0.00 0.00 -1.04 0.00 0.00 57.85 52.02 2waq n ARG 505 Cb 0.38 -2.40 0.00 0.00 -3.04 0.00 0.00 32.46 27.40 2waq n ARG 505 CO 0.00 0.00 0.00 -2.13 -3.04 0.00 0.00 177.63 172.46 2waq n ARG 506 N -0.10 2.60 0.07 2.89 0.00 -0.84 -4.69 116.66 116.59 2waq n ARG 506 Ca 0.42 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 58.31 2waq n ARG 506 Cb 0.30 -0.91 -0.04 0.00 0.00 0.00 0.00 32.46 31.81 2waq n ARG 506 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 2waq h VAL 507 N 0.00 0.33 0.00 5.15 -1.51 -1.79 -3.51 116.25 114.92 2waq h VAL 507 Ca 0.00 -1.64 0.00 0.00 -1.23 0.00 0.00 66.70 63.83 2waq h VAL 507 Cb 0.57 1.86 0.00 0.00 -2.13 0.00 0.00 31.29 31.59 2waq h VAL 507 CO 0.00 0.19 0.00 0.35 -1.23 0.00 0.00 177.57 176.88 2waq n THR 508 N -2.84 0.00 0.00 7.19 -2.24 -1.26 -5.24 114.28 109.90 2waq n THR 508 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2waq n THR 508 Cb 0.73 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 2waq n THR 508 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2waq n LYS 519 N -0.84 0.00 -4.83 -0.78 2.85 -1.26 -5.04 118.16 108.26 2waq n LYS 519 Ca 0.13 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 57.06 2waq n LYS 519 Cb 0.06 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.30 2waq n LYS 519 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2waq s TRP 520 N 0.00 2.76 0.00 5.58 0.52 -1.26 -4.85 118.94 121.69 2waq s TRP 520 Ca 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 56.10 55.77 2waq s TRP 520 Cb 0.00 -1.72 0.00 0.00 -1.15 0.00 0.00 33.47 30.60 2waq s TRP 520 CO 0.00 0.03 0.00 0.45 0.02 0.00 0.00 176.95 177.45 2waq n SER 521 N 2.81 0.00 -4.91 2.95 2.88 -1.26 -3.18 113.62 112.91 2waq n SER 521 Ca -0.18 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.09 2waq n SER 521 Cb 0.52 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.97 2waq n SER 521 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2waq s LYS 522 N -2.56 3.58 -0.12 -1.46 1.02 -0.87 -3.70 119.74 115.63 2waq s LYS 522 Ca 0.00 0.05 0.03 0.00 0.02 0.00 0.00 55.97 56.07 2waq s LYS 522 Cb 0.00 -2.51 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 2waq s LYS 522 CO 0.00 0.00 -0.23 0.08 -0.92 0.00 0.00 175.35 174.28 2waq s VAL 523 N -2.44 2.09 0.01 3.17 1.01 -0.37 -1.30 120.40 122.57 2waq s VAL 523 Ca 0.45 -0.99 0.09 0.00 0.00 0.00 0.00 61.98 61.52 2waq s VAL 523 Cb -0.10 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 2waq s VAL 523 CO 0.38 0.55 -0.26 -0.63 0.00 0.00 0.00 175.10 175.14 2waq s ILE 524 N 0.55 2.07 -0.29 2.22 1.09 0.00 -0.73 121.20 126.11 2waq s ILE 524 Ca -0.14 -1.23 0.00 0.00 -1.10 0.00 0.00 60.65 58.19 2waq s ILE 524 Cb -0.17 -1.74 0.09 0.00 -1.06 0.00 0.00 42.46 39.58 2waq s ILE 524 CO 0.04 0.47 0.06 -0.22 -0.10 0.00 0.00 174.94 175.19 2waq s LEU 525 N -0.89 2.75 -1.28 2.97 1.98 0.85 0.11 118.68 125.16 2waq s LEU 525 Ca 0.11 -1.61 -0.01 0.00 -2.89 0.00 0.00 54.13 49.73 2waq s LEU 525 Cb -0.10 -1.06 0.00 0.00 0.66 0.00 0.00 46.19 45.70 2waq s LEU 525 CO 0.00 -0.37 0.83 0.59 -1.89 0.00 0.00 176.35 175.51 2waq n ASN 526 N 4.71 -1.73 -0.60 3.68 3.02 -1.15 -2.53 115.26 120.66 2waq n ASN 526 Ca -0.03 -0.74 -0.07 0.00 -0.03 0.00 0.00 54.58 53.71 2waq n ASN 526 Cb 0.43 -4.46 -0.02 0.00 -0.61 0.00 0.00 39.78 35.12 2waq n ASN 526 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2waq n GLY 527 N -1.43 0.65 2.93 7.41 0.00 -1.26 -4.13 105.19 109.35 2waq n GLY 527 Ca -0.28 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 2waq n GLY 527 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2waq s ARG 528 N -3.14 1.34 -0.04 1.61 3.52 -1.05 -4.38 118.95 116.81 2waq s ARG 528 Ca 0.00 -0.24 -0.30 0.00 -0.13 0.00 0.00 55.73 55.06 2waq s ARG 528 Cb 0.00 -1.31 -0.05 0.00 -1.56 0.00 0.00 34.95 32.03 2waq s ARG 528 CO 0.00 -0.14 1.48 -1.17 -0.81 0.00 0.00 175.30 174.66 2waq s LEU 529 N 1.23 4.30 -0.24 -0.88 0.20 -1.26 -0.11 118.68 121.92 2waq s LEU 529 Ca -0.05 2.10 -0.16 0.00 0.69 0.00 0.00 54.13 56.72 2waq s LEU 529 Cb -0.14 -3.55 -0.10 0.00 -0.43 0.00 0.00 46.19 41.97 2waq s LEU 529 CO -0.02 -0.80 -0.33 0.52 -0.29 0.00 0.00 176.35 175.42 2waq n VAL 530 N 5.05 1.52 -1.51 1.68 0.31 0.09 -4.92 118.33 120.55 2waq n VAL 530 Ca 0.15 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2waq n VAL 530 Cb 0.43 -2.06 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 2waq n VAL 530 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2waq n GLY 531 N 1.34 2.51 0.00 2.92 0.00 -1.16 -2.60 105.19 108.20 2waq n GLY 531 Ca -0.39 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2waq n GLY 531 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2waq n TYR 532 N 0.00 0.00 -0.91 1.61 4.02 -0.59 -1.23 117.16 120.06 2waq n TYR 532 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2waq n TYR 532 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2waq n TYR 532 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 2waq n TYR 533 N 0.00 -1.79 -1.72 -0.72 9.36 -1.24 -4.02 117.16 117.03 2waq n TYR 533 Ca 0.00 1.02 -0.33 0.00 3.32 0.00 0.00 57.90 61.91 2waq n TYR 533 Cb 0.00 -2.49 0.05 0.00 -0.63 0.00 0.00 39.34 36.27 2waq n TYR 533 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 2waq s ARG 534 N -2.64 2.80 0.02 2.98 3.52 -1.26 -4.39 118.95 119.98 2waq s ARG 534 Ca 0.00 1.32 0.00 0.00 -0.13 0.00 0.00 55.73 56.92 2waq s ARG 534 Cb 0.00 -1.95 0.00 0.00 -1.56 0.00 0.00 34.95 31.44 2waq s ARG 534 CO 0.00 -1.24 0.00 -3.47 -0.81 0.00 0.00 175.30 169.78 2waq n ASP 535 N -2.54 -5.94 0.08 -2.12 -0.08 -1.19 -4.85 116.55 99.91 2waq n ASP 535 Ca 0.10 0.96 -0.02 0.00 -1.51 0.00 0.00 54.79 54.32 2waq n ASP 535 Cb 0.52 -3.19 -0.06 0.00 2.34 0.00 0.00 41.12 40.74 2waq n ASP 535 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2waq h GLY 536 N 2.22 0.00 0.82 0.27 0.00 -1.86 -3.30 103.07 101.22 2waq h GLY 536 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 2waq h GLY 536 CO 0.00 0.00 -0.11 0.83 0.00 0.00 0.00 176.54 177.26 2waq h GLU 537 N 0.00 0.46 -0.44 4.80 5.08 -1.99 -2.75 114.58 119.74 2waq h GLU 537 Ca -0.07 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.03 2waq h GLU 537 Cb 1.60 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.82 2waq h GLU 537 CO 0.08 0.75 0.04 0.93 -1.00 0.00 0.00 179.01 179.80 2waq h GLU 538 N 0.16 0.75 -0.18 2.33 5.08 -1.92 0.32 114.58 121.11 2waq h GLU 538 Ca 0.05 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 2waq h GLU 538 Cb 0.61 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2waq h GLU 538 CO 0.03 0.80 -0.06 1.25 -1.00 0.00 0.00 179.01 180.03 2waq h LEU 539 N 0.60 0.25 -0.04 1.33 7.12 -1.64 0.11 115.31 123.04 2waq h LEU 539 Ca 0.13 -0.04 -0.07 0.00 0.13 0.00 0.00 57.88 58.03 2waq h LEU 539 Cb 0.44 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.50 2waq h LEU 539 CO 0.02 0.35 -0.25 0.00 -0.13 0.00 0.00 178.44 178.42 2waq h ALA 540 N 1.68 0.09 -0.43 1.25 0.00 -1.12 -3.28 119.26 117.44 2waq h ALA 540 Ca 0.06 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 2waq h ALA 540 Cb 0.28 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2waq h ALA 540 CO 0.01 0.11 -0.22 0.87 0.00 0.00 0.00 179.25 180.01 2waq h LYS 541 N -0.31 0.92 -0.37 0.00 1.57 -0.07 -2.40 116.57 115.90 2waq h LYS 541 Ca -0.02 -0.41 0.02 0.00 -1.87 0.00 0.00 60.65 58.38 2waq h LYS 541 Cb 0.93 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.19 2waq h LYS 541 CO 0.05 1.06 0.19 0.87 -0.57 0.00 0.00 179.45 181.06 2waq h LYS 542 N 0.75 0.38 0.00 3.15 1.57 -0.93 -0.29 116.57 121.20 2waq h LYS 542 Ca 0.10 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 2waq h LYS 542 Cb 0.80 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 2waq h LYS 542 CO 0.07 0.25 -0.21 0.82 -0.57 0.00 0.00 179.45 179.81 2waq h ILE 543 N 0.40 0.50 -0.05 1.86 2.04 -1.61 -2.26 117.51 118.39 2waq h ILE 543 Ca 0.16 -1.14 -0.15 0.00 1.00 0.00 0.00 64.86 64.73 2waq h ILE 543 Cb 0.05 1.80 0.01 0.00 -0.74 0.00 0.00 36.82 37.94 2waq h ILE 543 CO -0.10 0.21 -0.55 0.03 0.00 0.00 0.00 178.15 177.74 2waq h ARG 544 N 0.00 0.47 0.00 2.37 3.08 -0.85 -2.66 114.38 116.78 2waq h ARG 544 Ca -0.00 -0.43 -0.13 0.00 0.07 0.00 0.00 59.98 59.48 2waq h ARG 544 Cb 0.78 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 2waq h ARG 544 CO 0.03 1.08 -0.62 0.93 -1.07 0.00 0.00 179.97 180.31 2waq h GLU 545 N 0.01 0.00 -0.11 0.04 5.08 -1.03 -2.67 114.58 115.90 2waq h GLU 545 Ca -0.05 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.13 2waq h GLU 545 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2waq h GLU 545 CO 0.11 0.62 -0.67 0.00 -1.00 0.00 0.00 179.01 178.08 2waq h ARG 546 N 0.00 0.43 -0.04 2.33 3.08 -1.51 -2.86 114.38 115.81 2waq h ARG 546 Ca -0.01 -0.32 -0.10 0.00 0.07 0.00 0.00 59.98 59.62 2waq h ARG 546 Cb 1.34 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.43 2waq h ARG 546 CO 0.08 0.94 -0.44 -0.09 -1.07 0.00 0.00 179.97 179.39 2waq h ARG 547 N 0.31 0.09 -0.10 0.04 1.12 -1.33 0.24 114.38 114.74 2waq h ARG 547 Ca -0.02 -0.04 -0.18 0.00 -1.11 0.00 0.00 59.98 58.63 2waq h ARG 547 Cb 1.22 -0.00 0.01 0.00 -0.01 0.00 0.00 29.97 31.19 2waq h ARG 547 CO 0.12 0.52 -0.64 0.00 -3.11 0.00 0.00 179.97 176.85 2waq h ARG 548 N 0.07 0.61 0.00 0.20 3.08 -1.49 -3.24 114.38 113.62 2waq h ARG 548 Ca 0.00 -0.52 0.00 0.00 0.07 0.00 0.00 59.98 59.53 2waq h ARG 548 Cb 0.81 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.98 2waq h ARG 548 CO 0.06 1.14 -0.19 1.63 -1.07 0.00 0.00 179.97 181.55 2waq n LYS 549 N -4.11 0.00 -0.66 0.04 4.76 -1.08 -3.33 118.16 113.78 2waq n LYS 549 Ca -0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 2waq n LYS 549 Cb 0.67 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.36 2waq n LYS 549 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2waq n GLY 550 N 1.50 0.61 0.16 0.72 0.00 0.35 -4.97 105.19 103.56 2waq n GLY 550 Ca 0.06 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.37 2waq n GLY 550 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2waq h GLU 551 N 0.59 0.50 -6.07 1.61 4.81 -0.96 -3.44 114.58 111.63 2waq h GLU 551 Ca 0.00 -0.62 -0.59 0.00 -0.13 0.00 0.00 59.36 58.02 2waq h GLU 551 Cb 0.00 0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 2waq h GLU 551 CO 0.00 1.25 -0.52 -1.50 -0.73 0.00 0.00 179.01 177.51 2waq s ILE 552 N -3.03 5.02 0.54 2.32 1.10 -1.12 -5.00 121.20 121.03 2waq s ILE 552 Ca -0.12 -0.70 -0.20 0.00 -0.51 0.00 0.00 60.65 59.13 2waq s ILE 552 Cb 0.04 -3.51 -0.08 0.00 0.15 0.00 0.00 42.46 39.06 2waq s ILE 552 CO 0.87 0.01 0.79 -0.24 -2.11 0.00 0.00 174.94 174.27 2waq n SER 553 N -0.08 0.14 0.26 4.50 2.88 -1.26 -4.20 113.62 115.86 2waq n SER 553 Ca -0.07 0.84 0.11 0.00 -1.33 0.00 0.00 58.87 58.41 2waq n SER 553 Cb 0.53 -1.29 0.69 0.00 -0.75 0.00 0.00 64.21 63.39 2waq n SER 553 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2waq h ASP 554 N 0.64 0.00 -0.86 -3.46 3.32 -1.93 -3.20 116.42 110.93 2waq h ASP 554 Ca -0.46 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.03 2waq h ASP 554 Cb 1.37 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.63 2waq h ASP 554 CO 0.51 0.12 0.37 -0.62 -1.72 0.00 0.00 179.24 177.89 2waq n GLU 555 N -3.90 2.69 -3.93 3.56 1.02 -1.26 -4.89 120.64 113.93 2waq n GLU 555 Ca -0.02 -3.41 -0.35 0.00 -0.02 0.00 0.00 57.16 53.36 2waq n GLU 555 Cb 0.21 -2.21 -0.14 0.00 -0.02 0.00 0.00 31.44 29.28 2waq n GLU 555 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2waq s VAL 556 N -4.33 2.97 -0.18 2.62 1.01 -1.21 -4.68 120.40 116.60 2waq s VAL 556 Ca 0.58 -1.13 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 2waq s VAL 556 Cb 0.47 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2waq s VAL 556 CO 0.02 0.09 0.06 0.20 0.00 0.00 0.00 175.10 175.47 2waq s ASN 557 N 1.31 5.58 -0.12 3.32 0.02 -0.52 -5.00 114.94 119.53 2waq s ASN 557 Ca -0.02 0.07 0.02 0.00 -1.02 0.00 0.00 52.86 51.91 2waq s ASN 557 Cb -0.18 -1.95 0.01 0.00 0.02 0.00 0.00 41.25 39.15 2waq s ASN 557 CO -0.03 0.18 -0.16 -0.69 0.02 0.00 0.00 177.10 176.41 2waq s VAL 558 N 0.36 1.61 -0.04 1.60 1.01 -1.26 -0.90 120.40 122.77 2waq s VAL 558 Ca 0.03 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.36 2waq s VAL 558 Cb -0.12 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 2waq s VAL 558 CO 0.00 0.46 -0.23 -0.83 0.00 0.00 0.00 175.10 174.51 2waq s GLY 559 N 1.01 1.34 -0.29 4.51 0.00 -0.05 -4.66 107.32 109.17 2waq s GLY 559 Ca -0.05 -1.06 -0.00 0.00 0.00 0.00 0.00 44.72 43.60 2waq s GLY 559 CO -0.03 -0.77 -0.02 -1.58 0.00 0.00 0.00 173.10 170.70 2waq s HIS 560 N -0.44 3.29 -0.35 1.90 2.46 -1.26 -0.39 115.29 120.49 2waq s HIS 560 Ca 0.05 -2.05 -0.14 0.00 0.47 0.00 0.00 55.06 53.39 2waq s HIS 560 Cb -0.12 -2.13 -0.01 0.00 -0.13 0.00 0.00 32.58 30.19 2waq s HIS 560 CO 0.01 -0.84 0.27 0.42 -2.47 0.00 0.00 174.74 172.14 2waq s ILE 561 N 1.20 5.26 -0.02 0.89 1.01 -0.46 -4.73 121.20 124.34 2waq s ILE 561 Ca -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 2waq s ILE 561 Cb -0.20 -3.77 -0.00 0.00 0.01 0.00 0.00 42.46 38.50 2waq s ILE 561 CO -0.02 -0.08 -0.01 0.58 0.00 0.00 0.00 174.94 175.40 2waq h VAL 562 N 5.53 0.00 -0.73 2.92 2.07 -1.83 -2.47 116.25 121.73 2waq h VAL 562 Ca -0.30 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2waq h VAL 562 Cb 1.15 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2waq h VAL 562 CO 0.66 0.00 0.00 0.41 0.02 0.00 0.00 177.57 178.66 2waq n THR 563 N -2.61 0.00 -0.03 2.57 -1.04 -1.26 -4.07 114.28 107.84 2waq n THR 563 Ca -0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.97 2waq n THR 563 Cb 0.02 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.48 2waq n THR 563 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2waq n ASP 564 N -3.26 3.45 -0.06 8.00 8.00 -1.26 -4.82 116.55 126.60 2waq n ASP 564 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 2waq n ASP 564 Cb 0.00 0.66 -0.08 0.00 -0.02 0.00 0.00 41.12 41.68 2waq n ASP 564 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2waq n PHE 565 N -2.23 0.00 -4.10 1.24 3.01 -1.26 -4.97 117.46 109.14 2waq n PHE 565 Ca -0.10 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.03 2waq n PHE 565 Cb 0.70 -0.56 -0.16 0.00 -0.01 0.00 0.00 39.48 39.46 2waq n PHE 565 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 2waq s ILE 566 N -2.28 2.15 -0.44 4.37 -5.25 -1.26 -5.08 121.20 113.40 2waq s ILE 566 Ca -0.11 -0.99 -0.07 0.00 -0.99 0.00 0.00 60.65 58.48 2waq s ILE 566 Cb 0.04 -1.94 0.11 0.00 2.95 0.00 0.00 42.46 43.61 2waq s ILE 566 CO 0.41 0.47 0.28 0.21 -1.79 0.00 0.00 174.94 174.53 2waq s ASN 567 N 1.28 5.55 0.13 4.36 2.47 -1.26 -4.23 114.94 123.24 2waq s ASN 567 Ca 0.04 -1.87 0.08 0.00 0.42 0.00 0.00 52.86 51.52 2waq s ASN 567 Cb -0.14 -1.95 -0.04 0.00 -1.45 0.00 0.00 41.25 37.68 2waq s ASN 567 CO -0.12 -0.62 -0.18 -1.61 -3.72 0.00 0.00 177.10 170.85 2waq s GLU 568 N 1.31 1.16 -0.16 0.43 2.02 -0.93 -2.04 118.70 120.48 2waq s GLU 568 Ca 0.06 -1.27 -0.01 0.00 0.02 0.00 0.00 54.97 53.76 2waq s GLU 568 Cb -0.25 -1.26 0.05 0.00 0.10 0.00 0.00 34.13 32.77 2waq s GLU 568 CO -0.01 0.27 -0.01 0.08 0.02 0.00 0.00 175.26 175.60 2waq s VAL 569 N -1.71 0.80 -0.18 2.63 1.01 -0.42 -1.35 120.40 121.18 2waq s VAL 569 Ca 0.10 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.46 2waq s VAL 569 Cb -0.07 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 2waq s VAL 569 CO 0.05 0.03 0.26 -1.00 0.00 0.00 0.00 175.10 174.44 2waq s HIS 570 N 1.76 3.43 -0.37 5.22 3.76 0.47 -0.82 115.29 128.74 2waq s HIS 570 Ca 0.01 0.51 -0.01 0.00 -0.15 0.00 0.00 55.06 55.42 2waq s HIS 570 Cb -0.15 -2.32 0.09 0.00 1.11 0.00 0.00 32.58 31.31 2waq s HIS 570 CO -0.07 0.21 0.12 0.08 -0.85 0.00 0.00 174.74 174.22 2waq s VAL 571 N 0.59 2.97 -0.10 -0.90 1.01 0.12 -0.87 120.40 123.21 2waq s VAL 571 Ca 0.14 -1.96 -0.10 0.00 0.00 0.00 0.00 61.98 60.06 2waq s VAL 571 Cb -0.13 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 2waq s VAL 571 CO 0.03 -0.52 0.22 0.20 0.00 0.00 0.00 175.10 175.03 2waq s ASN 572 N 1.47 6.48 0.00 3.32 -0.87 -0.08 -2.91 114.94 122.35 2waq s ASN 572 Ca 0.05 0.57 0.04 0.00 -1.57 0.00 0.00 52.86 51.95 2waq s ASN 572 Cb -0.21 -2.13 0.06 0.00 -0.02 0.00 0.00 41.25 38.95 2waq s ASN 572 CO -0.04 0.34 0.83 0.00 -2.57 0.00 0.00 177.10 175.65 2waq s ASP 574 N -0.75 5.98 0.35 0.00 3.84 -1.26 -1.16 116.67 123.67 2waq s ASP 574 Ca 0.05 0.16 -0.26 0.00 -0.00 0.00 0.00 52.55 52.49 2waq s ASP 574 Cb 0.05 -1.55 -0.09 0.00 -1.38 0.00 0.00 42.92 39.96 2waq s ASP 574 CO -0.02 -0.51 1.09 -0.55 -0.00 0.00 0.00 175.17 175.18 2waq s SER 575 N -4.16 6.91 0.00 2.11 0.15 -1.26 -4.20 113.70 113.26 2waq s SER 575 Ca 0.45 2.20 0.00 0.00 0.70 0.00 0.00 55.95 59.30 2waq s SER 575 Cb -0.10 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 2waq s SER 575 CO 0.35 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 175.01 2waq n GLY 576 N 0.75 2.68 3.77 9.45 0.00 -0.64 -4.81 105.19 116.38 2waq n GLY 576 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2waq n GLY 576 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2waq s ARG 577 N -0.43 3.79 -0.17 1.61 0.52 -1.26 -0.72 118.95 122.29 2waq s ARG 577 Ca 0.00 2.14 -0.05 0.00 -0.52 0.00 0.00 55.73 57.30 2waq s ARG 577 Cb 0.00 -2.63 -0.03 0.00 0.52 0.00 0.00 34.95 32.81 2waq s ARG 577 CO 0.00 -0.64 0.00 0.08 0.02 0.00 0.00 175.30 174.77 2waq s VAL 578 N -1.30 4.25 0.22 3.52 1.01 -1.26 0.05 120.40 126.88 2waq s VAL 578 Ca 0.60 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 62.45 2waq s VAL 578 Cb -0.38 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 2waq s VAL 578 CO 0.48 0.48 -0.17 -0.13 0.00 0.00 0.00 175.10 175.75 2waq s ARG 579 N 0.36 1.43 -0.09 2.72 0.52 -0.06 -4.08 118.95 119.75 2waq s ARG 579 Ca -0.01 -1.60 0.03 0.00 -0.52 0.00 0.00 55.73 53.63 2waq s ARG 579 Cb -0.13 -1.38 0.01 0.00 0.52 0.00 0.00 34.95 33.96 2waq s ARG 579 CO 0.02 0.25 -0.20 0.50 0.02 0.00 0.00 175.30 175.90 2waq s ARG 580 N -3.39 2.58 -0.10 3.54 3.52 -0.94 -2.75 118.95 121.41 2waq s ARG 580 Ca 0.23 -0.71 -0.28 0.00 -0.13 0.00 0.00 55.73 54.84 2waq s ARG 580 Cb -0.03 -2.02 -0.02 0.00 -1.56 0.00 0.00 34.95 31.32 2waq s ARG 580 CO 0.09 0.10 0.94 -1.25 -0.81 0.00 0.00 175.30 174.37 2waq s PRO 581 N 0.54 4.42 0.03 5.12 0.05 -1.26 -1.36 135.00 142.54 2waq s PRO 581 Ca -0.15 1.28 0.03 0.00 0.05 0.00 0.00 61.00 62.21 2waq s PRO 581 Cb -0.17 -3.53 -0.02 0.00 0.05 0.00 0.00 34.50 30.84 2waq s PRO 581 CO 0.06 -0.24 -0.09 -0.51 0.05 0.00 0.00 177.00 176.27 2waq s LEU 582 N 1.77 2.15 0.15 -3.56 1.43 -0.50 -4.52 118.68 115.60 2waq s LEU 582 Ca 0.46 -0.38 -0.31 0.00 -1.03 0.00 0.00 54.13 52.87 2waq s LEU 582 Cb -0.18 -0.33 -0.09 0.00 0.03 0.00 0.00 46.19 45.62 2waq s LEU 582 CO 0.19 -0.05 1.43 -0.63 0.23 0.00 0.00 176.35 177.52 2waq s ILE 583 N -0.83 3.06 -0.04 -0.59 -1.09 -0.54 -0.93 121.20 120.25 2waq s ILE 583 Ca -0.03 0.78 -0.22 0.00 -2.23 0.00 0.00 60.65 58.96 2waq s ILE 583 Cb -0.07 -3.50 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 2waq s ILE 583 CO 0.00 0.07 0.65 -0.63 -1.23 0.00 0.00 174.94 173.81 2waq s ILE 584 N 0.90 4.98 -0.13 2.92 1.01 0.18 -0.10 121.20 130.96 2waq s ILE 584 Ca 0.65 1.35 0.03 0.00 0.00 0.00 0.00 60.65 62.67 2waq s ILE 584 Cb -0.39 -3.99 0.01 0.00 0.01 0.00 0.00 42.46 38.10 2waq s ILE 584 CO 0.32 0.33 -0.22 -0.69 0.00 0.00 0.00 174.94 174.68 2waq s VAL 585 N 0.36 2.03 -0.24 2.92 1.01 -0.25 -4.76 120.40 121.48 2waq s VAL 585 Ca 0.34 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 2waq s VAL 585 Cb -0.18 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 2waq s VAL 585 CO 0.18 0.55 0.06 -0.94 0.00 0.00 0.00 175.10 174.94 2waq s SER 586 N 0.72 5.13 0.00 3.32 1.04 -1.26 -4.34 113.70 118.31 2waq s SER 586 Ca -0.09 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.15 2waq s SER 586 Cb -0.16 -1.91 0.00 0.00 0.10 0.00 0.00 66.02 64.05 2waq s SER 586 CO 0.00 -0.01 0.00 0.59 0.98 0.00 0.00 173.24 174.80 2waq n ASN 587 N 4.75 0.00 0.00 7.02 4.13 -1.26 -3.54 115.26 126.37 2waq n ASN 587 Ca -0.16 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.10 2waq n ASN 587 Cb 0.51 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.75 2waq n ASN 587 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2waq n GLY 588 N 0.00 -0.00 3.04 7.41 0.00 -1.26 -4.22 105.19 110.16 2waq n GLY 588 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2waq n GLY 588 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2waq s ASN 589 N 0.00 -0.17 0.00 1.61 0.01 -1.23 -4.91 114.94 110.24 2waq s ASN 589 Ca 0.00 0.33 0.00 0.00 -0.71 0.00 0.00 52.86 52.48 2waq s ASN 589 Cb 0.00 0.34 0.00 0.00 0.41 0.00 0.00 41.25 42.00 2waq s ASN 589 CO 0.00 -0.06 0.00 -0.81 -1.51 0.00 0.00 177.10 174.72 2waq n PRO 590 N 3.00 0.00 -2.70 -0.60 -0.05 -1.26 -4.02 135.00 129.38 2waq n PRO 590 Ca -0.13 0.00 -0.07 0.00 -0.05 0.00 0.00 63.50 63.26 2waq n PRO 590 Cb 0.59 0.00 0.12 0.00 -0.05 0.00 0.00 33.50 34.15 2waq n PRO 590 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 175.50 176.92 2waq n LEU 591 N 0.00 -1.88 -0.34 1.53 -0.00 -1.26 -4.95 117.00 110.10 2waq n LEU 591 Ca 0.00 -3.41 0.06 0.00 -0.00 0.00 0.00 56.01 52.65 2waq n LEU 591 Cb 0.00 0.04 0.22 0.00 -0.00 0.00 0.00 43.42 43.68 2waq n LEU 591 CO 0.00 1.88 1.20 0.58 -0.00 0.00 0.00 177.39 181.05 2waq h VAL 592 N 2.02 0.91 0.00 1.47 2.07 -1.98 -2.54 116.25 118.20 2waq h VAL 592 Ca -0.29 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 2waq h VAL 592 Cb 1.30 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2waq h VAL 592 CO -0.08 0.17 -0.00 0.00 0.02 0.00 0.00 177.57 177.68 2waq h THR 593 N 0.93 0.01 0.03 2.57 1.03 -2.04 -3.19 112.91 112.25 2waq h THR 593 Ca 0.47 -0.36 -0.26 0.00 -0.01 0.00 0.00 66.41 66.26 2waq h THR 593 Cb 0.46 1.35 -0.03 0.00 -1.07 0.00 0.00 68.15 68.86 2waq h THR 593 CO -0.26 0.00 -1.31 0.03 -0.01 0.00 0.00 175.52 173.97 2waq h ARG 594 N 0.00 0.07 -3.23 0.00 3.08 -1.89 -3.38 114.38 109.04 2waq h ARG 594 Ca -0.00 -0.12 -0.68 0.00 0.07 0.00 0.00 59.98 59.25 2waq h ARG 594 Cb 0.35 0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.46 2waq h ARG 594 CO 0.00 0.91 3.70 -1.91 -1.07 0.00 0.00 179.97 181.60 2waq n GLU 595 N -3.31 3.52 0.00 0.04 0.00 -1.21 -3.92 120.64 115.76 2waq n GLU 595 Ca -0.08 -2.30 0.00 0.00 0.00 0.00 0.00 57.16 54.78 2waq n GLU 595 Cb 1.00 -2.91 0.00 0.00 0.00 0.00 0.00 31.44 29.52 2waq n GLU 595 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2waq n ASP 596 N 4.15 3.46 -3.59 4.31 9.92 -1.26 -4.86 116.55 128.67 2waq n ASP 596 Ca 0.73 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 54.58 2waq n ASP 596 Cb 0.27 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.75 2waq n ASP 596 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 2waq n ILE 597 N -2.40 5.11 -1.53 0.53 -0.00 -1.25 -4.87 119.36 114.95 2waq n ILE 597 Ca 0.00 -4.51 0.00 0.00 -0.00 0.00 0.00 62.75 58.24 2waq n ILE 597 Cb 0.44 -2.10 0.00 0.00 -0.00 0.00 0.00 39.64 37.98 2waq n ILE 597 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2waq n GLU 598 N 2.06 2.54 0.00 6.28 4.71 -1.26 -3.44 120.64 131.53 2waq n GLU 598 Ca 0.55 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.70 2waq n GLU 598 Cb 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.71 2waq n GLU 598 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2waq n LYS 599 N 0.00 0.00 -3.72 3.49 4.01 -1.26 -3.40 118.16 117.28 2waq n LYS 599 Ca 0.00 0.00 -0.32 0.00 -0.51 0.00 0.00 58.31 57.48 2waq n LYS 599 Cb 0.00 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 34.47 2waq n LYS 599 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2waq s LEU 600 N 0.00 4.31 -0.92 -0.35 2.01 -1.26 -4.25 118.68 118.22 2waq s LEU 600 Ca 0.00 0.56 -0.03 0.00 0.01 0.00 0.00 54.13 54.67 2waq s LEU 600 Cb 0.00 -3.08 0.00 0.00 0.01 0.00 0.00 46.19 43.12 2waq s LEU 600 CO 0.00 0.13 0.79 0.47 1.01 0.00 0.00 176.35 178.74 2waq n ASP 601 N 0.44 -3.58 -4.58 2.29 8.00 -1.26 -4.99 116.55 112.87 2waq n ASP 601 Ca -0.05 -0.42 -0.43 0.00 0.71 0.00 0.00 54.79 54.60 2waq n ASP 601 Cb 0.52 -3.79 -0.03 0.00 -0.02 0.00 0.00 41.12 37.80 2waq n ASP 601 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2waq s SER 602 N -3.61 6.57 0.00 -2.24 1.04 -1.22 -4.68 113.70 109.56 2waq s SER 602 Ca 0.21 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.94 2waq s SER 602 Cb -0.09 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2waq s SER 602 CO 0.52 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 174.17 2waq n GLY 603 N 4.90 0.86 3.28 7.32 0.00 -1.22 -4.61 105.19 115.72 2waq n GLY 603 Ca 0.09 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2waq n GLY 603 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2waq n SER 604 N 0.00 2.74 0.00 1.61 3.41 -1.26 -4.83 113.62 115.29 2waq n SER 604 Ca 0.00 -2.69 0.00 0.00 -0.26 0.00 0.00 58.87 55.92 2waq n SER 604 Cb 0.00 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 62.61 2waq n SER 604 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2waq n ILE 605 N 6.66 0.00 -1.64 -1.33 3.06 -1.26 -4.90 119.36 119.94 2waq n ILE 605 Ca 0.48 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.73 2waq n ILE 605 Cb 0.43 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.61 2waq n ILE 605 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 2waq n THR 606 N 0.00-10.30 -0.26 9.51 -1.04 -1.26 -4.48 114.28 106.45 2waq n THR 606 Ca 0.00 2.44 0.03 0.00 -2.04 0.00 0.00 64.05 64.48 2waq n THR 606 Cb 0.00 -4.60 0.16 0.00 -1.82 0.00 0.00 70.33 64.08 2waq n THR 606 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2waq h PHE 607 N 3.07 0.66 -0.54 -1.42 3.57 -1.93 -2.38 116.94 117.98 2waq h PHE 607 Ca 0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 2waq h PHE 607 Cb 0.00 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 2waq h PHE 607 CO 0.00 0.20 0.25 -0.44 -2.23 0.00 0.00 178.31 176.09 2waq h ASP 608 N 0.60 0.68 0.72 0.41 3.45 -1.90 -0.76 116.42 119.62 2waq h ASP 608 Ca 0.39 -0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.78 2waq h ASP 608 Cb 0.46 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.06 2waq h ASP 608 CO -0.31 0.59 0.00 0.44 -1.57 0.00 0.00 179.24 178.39 2waq h ASP 609 N 0.76 0.00 1.04 6.45 5.19 -1.65 0.25 116.42 128.46 2waq h ASP 609 Ca 0.19 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.56 2waq h ASP 609 Cb 0.10 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 2waq h ASP 609 CO -0.02 0.00 -0.98 0.25 -3.12 0.00 0.00 179.24 175.37 2waq h LEU 610 N 0.00 0.00 0.22 1.55 6.46 -1.06 -3.18 115.31 119.30 2waq h LEU 610 Ca 0.00 0.00 -0.34 0.00 -0.12 0.00 0.00 57.88 57.42 2waq h LEU 610 Cb 0.36 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 40.31 2waq h LEU 610 CO 0.00 0.13 -1.61 0.58 -0.62 0.00 0.00 178.44 176.92 2waq h VAL 611 N 0.00 1.12 -0.56 1.05 2.07 -0.40 -3.25 116.25 116.28 2waq h VAL 611 Ca -0.03 -2.62 -0.02 0.00 0.82 0.00 0.00 66.70 64.85 2waq h VAL 611 Cb 1.13 2.91 -0.03 0.00 -1.52 0.00 0.00 31.29 33.78 2waq h VAL 611 CO 0.01 0.84 0.28 0.03 0.02 0.00 0.00 177.57 178.74 2waq h ARG 612 N 0.13 0.79 -0.78 1.57 3.08 -0.72 -2.98 114.38 115.46 2waq h ARG 612 Ca -0.30 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.67 2waq h ARG 612 Cb 2.14 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 31.99 2waq h ARG 612 CO 0.23 0.60 0.51 0.37 -1.07 0.00 0.00 179.97 180.61 2waq h GLN 613 N 0.79 1.03 0.00 0.04 5.75 -1.63 -3.43 115.11 117.67 2waq h GLN 613 Ca 0.20 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 2waq h GLN 613 Cb 0.07 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.39 2waq h GLN 613 CO -0.03 0.70 0.00 0.41 -2.65 0.00 0.00 178.83 177.26 2waq n GLY 614 N -1.38 0.93 0.00 2.39 0.00 -1.13 -4.71 105.19 101.30 2waq n GLY 614 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2waq n GLY 614 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2waq n LYS 615 N 0.00 3.02 -4.99 1.61 4.76 -1.24 -4.94 118.16 116.37 2waq n LYS 615 Ca 0.00 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.12 2waq n LYS 615 Cb 0.00 -0.35 -0.16 0.00 -1.84 0.00 0.00 35.03 32.68 2waq n LYS 615 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2waq s ILE 616 N -0.36 2.53 -0.07 -0.18 1.01 -1.23 0.48 121.20 123.38 2waq s ILE 616 Ca 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 60.65 59.80 2waq s ILE 616 Cb 0.00 -2.02 0.02 0.00 0.01 0.00 0.00 42.46 40.48 2waq s ILE 616 CO 0.00 0.54 -0.04 -0.70 0.00 0.00 0.00 174.94 174.74 2waq s GLU 617 N 0.36 0.99 -0.19 2.79 2.12 -0.11 -4.55 118.70 120.11 2waq s GLU 617 Ca -0.15 -0.09 -0.29 0.00 0.36 0.00 0.00 54.97 54.80 2waq s GLU 617 Cb -0.17 -1.12 0.00 0.00 0.26 0.00 0.00 34.13 33.11 2waq s GLU 617 CO 0.07 -0.20 1.06 0.71 -0.54 0.00 0.00 175.26 176.36 2waq s TYR 618 N 1.47 3.33 -0.14 5.30 1.51 -1.26 -1.41 117.35 126.13 2waq s TYR 618 Ca -0.02 1.45 -0.01 0.00 -1.01 0.00 0.00 57.07 57.48 2waq s TYR 618 Cb -0.13 -3.28 -0.01 0.00 -0.11 0.00 0.00 41.96 38.43 2waq s TYR 618 CO -0.04 -0.56 -0.12 -0.51 -1.11 0.00 0.00 175.55 173.21 2waq s LEU 619 N 2.96 2.74 0.92 -1.29 1.43 -0.46 -4.86 118.68 120.12 2waq s LEU 619 Ca 0.46 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 53.11 2waq s LEU 619 Cb -0.17 -1.63 0.15 0.00 0.03 0.00 0.00 46.19 44.57 2waq s LEU 619 CO 0.10 0.14 1.09 -0.62 0.23 0.00 0.00 176.35 177.29 2waq s ASP 620 N 0.53 3.24 0.54 2.29 3.68 -1.26 -2.22 116.67 123.47 2waq s ASP 620 Ca -0.08 1.38 0.31 0.00 2.13 0.00 0.00 52.55 56.29 2waq s ASP 620 Cb -0.16 -2.05 1.52 0.00 -1.45 0.00 0.00 42.92 40.78 2waq s ASP 620 CO 0.04 -2.77 2.07 0.00 0.13 0.00 0.00 175.17 174.64 2waq h ALA 621 N -1.64 1.15 0.13 3.66 0.00 -1.87 -1.83 119.26 118.86 2waq h ALA 621 Ca -0.51 -0.08 -0.30 0.00 0.00 0.00 0.00 54.91 54.02 2waq h ALA 621 Cb 1.30 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 19.10 2waq h ALA 621 CO 0.56 0.11 -1.26 1.49 0.00 0.00 0.00 179.25 180.15 2waq h GLU 622 N 0.00 0.56 0.00 0.00 4.57 -1.92 -3.34 114.58 114.46 2waq h GLU 622 Ca -0.00 -0.78 -0.17 0.00 -1.18 0.00 0.00 59.36 57.23 2waq h GLU 622 Cb 0.37 0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 29.20 2waq h GLU 622 CO 0.01 1.35 -0.81 1.49 -1.18 0.00 0.00 179.01 179.87 2waq h GLU 623 N 0.24 0.00 0.00 1.92 4.81 -1.78 -3.22 114.58 116.55 2waq h GLU 623 Ca -0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 2waq h GLU 623 Cb 1.93 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.31 2waq h GLU 623 CO 0.24 0.81 0.00 1.49 -0.73 0.00 0.00 179.01 180.82 2waq h GLU 624 N 0.00 0.00 -0.23 1.92 4.81 -1.45 -2.53 114.58 117.09 2waq h GLU 624 Ca -0.01 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 2waq h GLU 624 Cb 1.53 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.86 2waq h GLU 624 CO 0.11 0.00 -0.05 1.49 -0.73 0.00 0.00 179.01 179.82 2waq h GLU 625 N 0.00 0.01 -0.60 1.92 4.57 -1.70 -2.97 114.58 115.81 2waq h GLU 625 Ca 0.00 -0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 2waq h GLU 625 Cb 0.16 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 2waq h GLU 625 CO 0.00 0.00 -0.02 -0.91 -1.18 0.00 0.00 179.01 176.90 2waq h ASN 626 N 0.01 1.05 -4.17 1.04 4.21 -1.68 -3.46 115.58 112.57 2waq h ASN 626 Ca 0.11 -0.32 -0.52 0.00 1.21 0.00 0.00 56.30 56.79 2waq h ASN 626 Cb 0.17 -0.28 0.13 0.00 -1.12 0.00 0.00 38.32 37.21 2waq h ASN 626 CO -0.24 1.11 0.39 0.00 -1.29 0.00 0.00 177.43 177.41 2waq s ALA 627 N -4.99 2.33 -0.36 -0.83 0.00 -1.13 -5.03 121.76 111.76 2waq s ALA 627 Ca -0.12 0.76 -0.00 0.00 0.00 0.00 0.00 51.96 52.60 2waq s ALA 627 Cb 0.13 -3.40 0.12 0.00 0.00 0.00 0.00 23.12 19.97 2waq s ALA 627 CO 0.86 -1.51 0.17 -0.47 0.00 0.00 0.00 175.76 174.82 2waq s TYR 628 N -2.08 1.35 -0.17 0.00 5.04 -1.26 -5.01 117.35 115.23 2waq s TYR 628 Ca 0.72 -1.79 -0.15 0.00 -2.44 0.00 0.00 57.07 53.40 2waq s TYR 628 Cb -0.25 -1.45 -0.04 0.00 0.35 0.00 0.00 41.96 40.56 2waq s TYR 628 CO 0.41 -0.83 0.35 0.08 -1.34 0.00 0.00 175.55 174.23 2waq s VAL 629 N 1.17 5.25 0.34 3.14 1.01 -1.26 -2.26 120.40 127.80 2waq s VAL 629 Ca 0.14 0.66 -0.20 0.00 0.00 0.00 0.00 61.98 62.58 2waq s VAL 629 Cb -0.21 -3.69 -0.10 0.00 0.00 0.00 0.00 36.38 32.39 2waq s VAL 629 CO -0.13 0.33 0.84 0.00 0.00 0.00 0.00 175.10 176.15 2waq s ALA 630 N 0.77 3.23 -0.08 5.51 0.00 -0.76 -4.97 121.76 125.46 2waq s ALA 630 Ca 0.19 0.27 -0.25 0.00 0.00 0.00 0.00 51.96 52.17 2waq s ALA 630 Cb -0.14 -2.97 -0.29 0.00 0.00 0.00 0.00 23.12 19.72 2waq s ALA 630 CO 0.06 0.24 0.86 -0.07 0.00 0.00 0.00 175.76 176.85 2waq h LEU 631 N 2.53 0.28 -8.04 0.00 3.38 -1.91 -2.36 115.31 109.18 2waq h LEU 631 Ca -0.48 -0.96 -0.19 0.00 0.09 0.00 0.00 57.88 56.34 2waq h LEU 631 Cb 1.18 -0.09 -0.21 0.00 0.09 0.00 0.00 40.66 41.64 2waq h LEU 631 CO 0.64 1.22 -0.71 -1.61 0.09 0.00 0.00 178.44 178.07 2waq s GLU 632 N -2.39 0.38 0.00 1.13 0.41 -1.26 -4.14 118.70 112.83 2waq s GLU 632 Ca -0.16 -0.69 0.00 0.00 -0.41 0.00 0.00 54.97 53.71 2waq s GLU 632 Cb -0.01 0.03 0.00 0.00 -1.78 0.00 0.00 34.13 32.37 2waq s GLU 632 CO 0.77 -0.03 0.75 -0.35 -0.49 0.00 0.00 175.26 175.91 2waq n PRO 633 N 1.45 0.00 0.16 0.39 -0.04 -1.26 -2.03 135.00 133.67 2waq n PRO 633 Ca -0.23 0.28 0.02 0.00 -0.04 0.00 0.00 63.50 63.52 2waq n PRO 633 Cb 0.55 -1.56 0.22 0.00 -0.04 0.00 0.00 33.50 32.68 2waq n PRO 633 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2waq h SER 634 N 0.00 0.00 -0.61 3.54 4.64 -2.01 -3.27 113.55 115.84 2waq h SER 634 Ca 0.00 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.88 2waq h SER 634 Cb 0.12 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 61.87 2waq h SER 634 CO 0.00 0.53 -0.67 -0.90 -0.87 0.00 0.00 176.83 174.91 2waq n ASP 635 N -3.63 4.38 -0.95 4.97 5.75 -0.86 -4.73 116.55 121.48 2waq n ASP 635 Ca -0.01 -3.78 0.07 0.00 -0.01 0.00 0.00 54.79 51.06 2waq n ASP 635 Cb 0.59 -0.41 0.21 0.00 -1.03 0.00 0.00 41.12 40.48 2waq n ASP 635 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2waq n LEU 636 N -0.81 2.74 0.11 -2.12 7.94 -1.23 -4.53 117.00 119.10 2waq n LEU 636 Ca 0.40 -1.38 -0.13 0.00 -1.11 0.00 0.00 56.01 53.79 2waq n LEU 636 Cb 0.91 -0.37 -0.08 0.00 0.53 0.00 0.00 43.42 44.41 2waq n LEU 636 CO 0.33 0.58 0.79 0.74 -1.11 0.00 0.00 177.39 178.72 2waq h THR 637 N 2.61 0.88 -3.78 1.96 2.02 -1.87 -3.39 112.91 111.34 2waq h THR 637 Ca 0.00 -0.11 -0.43 0.00 0.77 0.00 0.00 66.41 66.64 2waq h THR 637 Cb 0.78 0.95 0.18 0.00 -1.74 0.00 0.00 68.15 68.31 2waq h THR 637 CO 0.06 0.03 0.27 -2.16 0.37 0.00 0.00 175.52 174.09 2waq s PRO 638 N -5.96 -0.26 -1.17 6.66 0.04 -1.26 -4.75 135.00 128.30 2waq s PRO 638 Ca -0.14 -0.20 -0.23 0.00 0.04 0.00 0.00 61.00 60.48 2waq s PRO 638 Cb 0.05 -1.72 -0.08 0.00 0.04 0.00 0.00 34.50 32.79 2waq s PRO 638 CO 0.65 -3.05 1.93 -1.21 0.04 0.00 0.00 177.00 175.36 2waq s GLU 639 N -5.61 2.52 -0.04 4.56 8.01 -1.26 -4.71 118.70 122.17 2waq s GLU 639 Ca 0.72 -1.13 -0.23 0.00 0.01 0.00 0.00 54.97 54.34 2waq s GLU 639 Cb -0.07 -5.24 -0.04 0.00 -4.31 0.00 0.00 34.13 24.47 2waq s GLU 639 CO 0.55 -3.92 0.68 -1.01 0.01 0.00 0.00 175.26 171.56 2waq s HIS 640 N 10.87 3.63 0.07 1.61 3.76 -1.26 -4.93 115.29 129.04 2waq s HIS 640 Ca 0.68 1.26 -0.15 0.00 -0.15 0.00 0.00 55.06 56.71 2waq s HIS 640 Cb -0.01 -2.76 -0.18 0.00 1.11 0.00 0.00 32.58 30.74 2waq s HIS 640 CO 0.12 0.18 1.25 1.15 -0.85 0.00 0.00 174.74 176.59 2waq h THR 641 N 4.51 1.31 -3.88 1.30 2.02 -1.65 -3.40 112.91 113.12 2waq h THR 641 Ca -0.42 -1.97 -0.27 0.00 0.77 0.00 0.00 66.41 64.51 2waq h THR 641 Cb 1.20 2.15 -0.15 0.00 -1.74 0.00 0.00 68.15 69.61 2waq h THR 641 CO 0.73 0.61 -0.66 -1.00 0.37 0.00 0.00 175.52 175.58 2waq s HIS 642 N -3.63 1.18 -0.05 3.16 3.76 -1.25 -1.09 115.29 117.37 2waq s HIS 642 Ca -0.11 -1.07 0.02 0.00 -0.15 0.00 0.00 55.06 53.74 2waq s HIS 642 Cb 0.07 -0.67 0.02 0.00 1.11 0.00 0.00 32.58 33.11 2waq s HIS 642 CO 0.88 -0.27 -0.07 -1.17 -0.85 0.00 0.00 174.74 173.25 2waq s LEU 643 N -3.16 1.48 0.22 0.89 0.20 0.85 -1.83 118.68 117.33 2waq s LEU 643 Ca 0.25 -0.19 -0.31 0.00 0.69 0.00 0.00 54.13 54.58 2waq s LEU 643 Cb 0.06 -0.57 -0.11 0.00 -0.43 0.00 0.00 46.19 45.15 2waq s LEU 643 CO 0.04 -0.01 1.55 -1.61 -0.29 0.00 0.00 176.35 176.03 2waq s GLU 644 N 0.76 4.20 -0.03 1.98 0.41 -0.89 -1.46 118.70 123.67 2waq s GLU 644 Ca -0.12 2.42 -0.20 0.00 -0.41 0.00 0.00 54.97 56.65 2waq s GLU 644 Cb -0.14 -3.11 -0.13 0.00 -1.78 0.00 0.00 34.13 28.97 2waq s GLU 644 CO 0.01 -0.57 0.88 0.82 -0.49 0.00 0.00 175.26 175.91 2waq h ILE 645 N 3.73 0.38 -3.58 -1.63 2.04 -1.88 -3.46 117.51 113.11 2waq h ILE 645 Ca -0.44 -0.72 -0.33 0.00 1.00 0.00 0.00 64.86 64.37 2waq h ILE 645 Cb 1.21 0.61 -0.32 0.00 -0.74 0.00 0.00 36.82 37.57 2waq h ILE 645 CO 0.86 0.09 -0.74 0.86 0.00 0.00 0.00 178.15 179.21 2waq s TRP 646 N -3.78 0.29 -0.07 1.37 -0.00 -1.26 -4.76 118.94 110.73 2waq s TRP 646 Ca -0.11 -0.01 -0.27 0.00 -0.00 0.00 0.00 56.10 55.71 2waq s TRP 646 Cb 0.01 -0.34 -0.23 0.00 -0.00 0.00 0.00 33.47 32.91 2waq s TRP 646 CO 0.39 -0.10 1.04 0.77 -0.00 0.00 0.00 176.95 179.06 2waq h SER 647 N 6.95 -0.00 0.00 5.86 0.02 -1.90 -3.26 113.55 121.21 2waq h SER 647 Ca -0.39 -0.70 0.00 0.00 -0.84 0.00 0.00 61.79 59.86 2waq h SER 647 Cb 1.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2waq h SER 647 CO 0.49 0.71 0.00 -2.65 -1.14 0.00 0.00 176.83 174.23 2waq n PRO 648 N -4.75 0.41 0.00 3.45 -0.02 -1.26 -2.50 135.00 130.33 2waq n PRO 648 Ca -0.09 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.50 2waq n PRO 648 Cb 0.35 -1.18 0.57 0.00 -0.02 0.00 0.00 33.50 33.22 2waq n PRO 648 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2waq n ALA 649 N -0.68 2.17 -0.18 3.55 0.00 -1.23 -3.17 120.51 120.98 2waq n ALA 649 Ca 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.36 2waq n ALA 649 Cb 0.02 -1.38 0.21 0.00 0.00 0.00 0.00 19.45 18.30 2waq n ALA 649 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2waq h ILE 650 N 0.00 1.21 -4.16 0.00 1.08 -1.74 -3.10 117.51 110.80 2waq h ILE 650 Ca 0.00 -0.58 -0.48 0.00 -0.39 0.00 0.00 64.86 63.40 2waq h ILE 650 Cb 0.27 0.37 0.05 0.00 -3.07 0.00 0.00 36.82 34.44 2waq h ILE 650 CO 0.00 0.25 0.38 -0.76 -0.69 0.00 0.00 178.15 177.33 2waq s LEU 651 N -9.61 3.61 0.00 1.44 1.43 -1.19 -4.33 118.68 110.04 2waq s LEU 651 Ca -0.10 1.83 -0.04 0.00 -1.03 0.00 0.00 54.13 54.78 2waq s LEU 651 Cb 0.17 -4.54 0.06 0.00 0.03 0.00 0.00 46.19 41.91 2waq s LEU 651 CO 0.79 -1.00 0.38 0.61 0.23 0.00 0.00 176.35 177.36 2waq n GLY 652 N -0.82 -1.00 0.46 -3.19 0.00 -1.26 -1.84 105.19 97.54 2waq n GLY 652 Ca 0.09 -1.72 -0.16 0.00 0.00 0.00 0.00 46.02 44.23 2waq n GLY 652 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2waq h ILE 653 N -1.13 0.07 -0.42 -0.61 5.03 -1.93 -2.26 117.51 116.26 2waq h ILE 653 Ca -0.12 0.00 -0.11 0.00 -0.12 0.00 0.00 64.86 64.51 2waq h ILE 653 Cb 0.35 0.07 -0.02 0.00 -3.03 0.00 0.00 36.82 34.19 2waq h ILE 653 CO 0.09 0.00 -0.19 0.74 -0.68 0.00 0.00 178.15 178.11 2waq h THR 654 N -0.80 1.27 0.00 -0.27 2.02 -1.94 -2.27 112.91 110.92 2waq h THR 654 Ca -0.01 -1.30 -0.02 0.00 0.77 0.00 0.00 66.41 65.85 2waq h THR 654 Cb 0.77 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 68.32 2waq h THR 654 CO -0.20 0.44 -0.11 0.00 0.37 0.00 0.00 175.52 176.02 2waq h ALA 655 N 1.07 1.15 0.00 6.16 0.00 -1.90 -2.50 119.26 123.23 2waq h ALA 655 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2waq h ALA 655 Cb 0.70 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2waq h ALA 655 CO 0.05 0.13 0.00 0.43 0.00 0.00 0.00 179.25 179.86 2waq n SER 656 N -3.43 0.00 0.10 0.00 7.64 -0.85 -2.94 113.62 114.14 2waq n SER 656 Ca -0.01 0.49 -0.05 0.00 1.01 0.00 0.00 58.87 60.31 2waq n SER 656 Cb 0.27 -0.50 0.07 0.00 -1.01 0.00 0.00 64.21 63.04 2waq n SER 656 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2waq h ILE 657 N 0.00 1.48 -2.91 0.44 5.03 -1.49 -3.42 117.51 116.65 2waq h ILE 657 Ca 0.00 -2.40 -0.53 0.00 -0.12 0.00 0.00 64.86 61.81 2waq h ILE 657 Cb 0.42 2.30 0.02 0.00 -3.03 0.00 0.00 36.82 36.53 2waq h ILE 657 CO 0.00 0.69 0.81 -0.63 -0.68 0.00 0.00 178.15 178.34 2waq s ILE 658 N -3.41 3.17 0.25 -0.67 1.01 -1.15 -4.75 121.20 115.64 2waq s ILE 658 Ca -0.02 0.79 -0.22 0.00 0.00 0.00 0.00 60.65 61.20 2waq s ILE 658 Cb 0.11 -3.50 -0.09 0.00 0.01 0.00 0.00 42.46 38.99 2waq s ILE 658 CO 0.80 0.04 0.79 -2.16 0.00 0.00 0.00 174.94 174.41 2waq s PRO 659 N 1.48 4.37 -1.38 2.79 0.04 -1.26 -4.30 135.00 136.75 2waq s PRO 659 Ca 0.67 1.02 -0.10 0.00 0.04 0.00 0.00 61.00 62.63 2waq s PRO 659 Cb -0.38 -2.88 0.01 0.00 0.04 0.00 0.00 34.50 31.28 2waq s PRO 659 CO 0.30 0.37 0.39 0.66 0.04 0.00 0.00 177.00 178.77 2waq n TYR 660 N 0.74 -1.52 0.18 0.56 4.02 -0.92 -4.86 117.16 115.37 2waq n TYR 660 Ca -0.01 0.53 0.05 0.00 -0.01 0.00 0.00 57.90 58.46 2waq n TYR 660 Cb 0.51 -3.23 0.49 0.00 -0.02 0.00 0.00 39.34 37.09 2waq n TYR 660 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2waq h PRO 661 N -1.99 0.12 -0.98 -0.72 0.11 -1.82 -2.67 132.00 124.04 2waq h PRO 661 Ca -0.66 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.32 2waq h PRO 661 Cb 1.39 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.41 2waq h PRO 661 CO 0.61 0.21 0.14 -0.85 -0.21 0.00 0.00 178.00 177.90 2waq n GLU 662 N -4.37 1.40 0.00 1.05 -0.00 -1.26 -2.94 120.64 114.53 2waq n GLU 662 Ca -0.02 -0.75 0.00 0.00 -0.00 0.00 0.00 57.16 56.40 2waq n GLU 662 Cb 0.20 -1.35 0.00 0.00 -0.00 0.00 0.00 31.44 30.29 2waq n GLU 662 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2waq n HIS 663 N 0.10 0.00 -3.30 -1.84 8.25 -1.01 -5.07 115.22 112.35 2waq n HIS 663 Ca 0.14 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.39 2waq n HIS 663 Cb 0.75 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.87 2waq n HIS 663 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2waq s ASN 664 N -0.29 5.17 0.44 0.41 0.01 -1.15 -3.24 114.94 116.28 2waq s ASN 664 Ca 0.00 -0.77 -0.17 0.00 -0.71 0.00 0.00 52.86 51.21 2waq s ASN 664 Cb 0.00 -0.17 -0.09 0.00 0.41 0.00 0.00 41.25 41.40 2waq s ASN 664 CO 0.00 -0.97 0.90 -1.58 -1.51 0.00 0.00 177.10 173.94 2waq s GLN 665 N -4.38 4.04 0.16 -0.60 0.74 -1.21 -4.99 119.66 113.41 2waq s GLN 665 Ca 0.52 0.90 -0.17 0.00 0.05 0.00 0.00 55.36 56.67 2waq s GLN 665 Cb -0.06 -2.23 0.07 0.00 1.10 0.00 0.00 33.01 31.89 2waq s GLN 665 CO 0.32 -0.08 1.72 1.03 -0.55 0.00 0.00 175.29 177.72 2waq h SER 666 N 1.55 -0.07 0.08 6.67 0.87 -1.95 -2.45 113.55 118.25 2waq h SER 666 Ca -0.48 0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.07 2waq h SER 666 Cb 1.18 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.24 2waq h SER 666 CO 0.62 0.00 -0.28 1.55 -0.53 0.00 0.00 176.83 178.20 2waq h PRO 667 N 0.14 0.31 -0.96 2.24 0.13 -1.99 -3.02 132.00 128.85 2waq h PRO 667 Ca 0.17 -0.11 0.01 0.00 -0.87 0.00 0.00 66.00 65.20 2waq h PRO 667 Cb 0.22 -0.02 -0.05 0.00 0.13 0.00 0.00 31.00 31.28 2waq h PRO 667 CO -0.25 0.57 0.64 0.00 -0.23 0.00 0.00 178.00 178.72 2waq h ARG 668 N 0.28 1.26 -0.07 0.86 2.47 -1.75 -1.54 114.38 115.88 2waq h ARG 668 Ca 0.04 -0.08 -0.11 0.00 -1.26 0.00 0.00 59.98 58.57 2waq h ARG 668 Cb 0.64 -0.28 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 2waq h ARG 668 CO 0.05 0.83 -0.46 -0.91 0.56 0.00 0.00 179.97 180.04 2waq h ASN 669 N 1.30 0.19 -0.59 7.04 2.35 -1.47 -3.08 115.58 121.31 2waq h ASN 669 Ca 0.35 -0.08 -0.07 0.00 -0.55 0.00 0.00 56.30 55.95 2waq h ASN 669 Cb -0.14 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2waq h ASN 669 CO -0.08 0.62 0.09 0.74 -1.65 0.00 0.00 177.43 177.15 2waq h THR 670 N 0.14 1.26 -0.61 2.81 2.02 -1.19 -1.88 112.91 115.46 2waq h THR 670 Ca 0.01 -1.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.16 2waq h THR 670 Cb 0.87 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 2waq h THR 670 CO 0.07 0.37 0.31 1.88 0.37 0.00 0.00 175.52 178.51 2waq h TYR 671 N 0.88 0.86 -0.64 3.16 0.99 -1.27 -2.24 116.97 118.71 2waq h TYR 671 Ca 0.18 -0.04 -0.04 0.00 2.00 0.00 0.00 58.73 60.83 2waq h TYR 671 Cb 0.43 -0.27 -0.03 0.00 1.00 0.00 0.00 36.73 37.86 2waq h TYR 671 CO 0.03 0.65 0.23 0.37 -0.00 0.00 0.00 178.16 179.44 2waq h GLN 672 N 0.83 0.95 0.00 4.88 5.75 -1.45 0.69 115.11 126.76 2waq h GLN 672 Ca 0.21 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 2waq h GLN 672 Cb 0.09 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.49 2waq h GLN 672 CO -0.03 0.80 0.00 0.43 -2.65 0.00 0.00 178.83 177.38 2waq n SER 673 N -4.29 0.00 -0.00 -0.69 7.64 -0.72 -0.76 113.62 114.79 2waq n SER 673 Ca 0.05 0.44 0.03 0.00 1.01 0.00 0.00 58.87 60.40 2waq n SER 673 Cb 0.19 -0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 62.89 2waq n SER 673 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2waq n ALA 674 N -1.47 2.71 -0.08 -0.43 0.00 -0.43 -4.70 120.51 116.12 2waq n ALA 674 Ca 0.03 -0.16 -0.23 0.00 0.00 0.00 0.00 53.44 53.09 2waq n ALA 674 Cb 0.12 -0.21 -0.12 0.00 0.00 0.00 0.00 19.45 19.25 2waq n ALA 674 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2waq n MET 675 N -1.17 0.65 0.24 0.00 0.00 0.23 -4.16 117.12 112.91 2waq n MET 675 Ca 0.01 0.33 0.16 0.00 0.00 0.00 0.00 57.70 58.20 2waq n MET 675 Cb 0.09 -1.64 0.85 0.00 0.00 0.00 0.00 33.22 32.52 2waq n MET 675 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2waq h ALA 676 N -0.33 1.72 0.00 -5.12 0.00 -1.19 0.59 119.26 114.93 2waq h ALA 676 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2waq h ALA 676 Cb 1.71 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2waq h ALA 676 CO -0.14 -0.18 0.00 1.63 0.00 0.00 0.00 179.25 180.56 2waq n LYS 677 N -3.86 0.12 0.00 0.00 5.02 -1.26 -2.98 118.16 115.20 2waq n LYS 677 Ca -0.00 0.21 0.09 0.00 -2.02 0.00 0.00 58.31 56.58 2waq n LYS 677 Cb 0.23 -1.67 -0.04 0.00 -0.02 0.00 0.00 35.03 33.53 2waq n LYS 677 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2waq n GLN 678 N -1.90 1.33 -1.18 1.97 6.02 0.20 -4.71 117.38 119.11 2waq n GLN 678 Ca 0.05 -0.60 -0.33 0.00 -0.01 0.00 0.00 57.00 56.11 2waq n GLN 678 Cb 0.31 -1.36 0.12 0.00 1.02 0.00 0.00 30.24 30.32 2waq n GLN 678 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2waq s ALA 679 N -2.35 1.94 -0.24 -1.58 0.00 -0.89 -2.47 121.76 116.17 2waq s ALA 679 Ca 0.13 0.69 -0.07 0.00 0.00 0.00 0.00 51.96 52.71 2waq s ALA 679 Cb 0.15 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 2waq s ALA 679 CO 0.57 -2.13 0.06 -0.51 0.00 0.00 0.00 175.76 173.75 2waq s LEU 680 N -5.72 3.44 0.00 0.00 1.43 -0.24 -4.19 118.68 113.40 2waq s LEU 680 Ca 0.70 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 2waq s LEU 680 Cb -0.25 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.05 2waq s LEU 680 CO 0.51 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.68 2waq n GLY 681 N 4.79 2.94 3.55 -3.19 0.00 -1.26 -3.97 105.19 108.05 2waq n GLY 681 Ca -0.16 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 2waq n GLY 681 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2waq s LEU 682 N 0.00 3.60 0.27 0.99 2.96 -1.22 -3.96 118.68 121.32 2waq s LEU 682 Ca 0.00 -0.22 0.17 0.00 -0.22 0.00 0.00 54.13 53.86 2waq s LEU 682 Cb 0.00 -2.88 0.08 0.00 0.50 0.00 0.00 46.19 43.88 2waq s LEU 682 CO 0.00 -1.51 1.35 0.10 -1.32 0.00 0.00 176.35 174.97 2waq h TYR 683 N 9.61 0.00 -2.14 5.38 -0.00 -1.87 -3.26 116.97 124.69 2waq h TYR 683 Ca -0.26 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.41 2waq h TYR 683 Cb 1.06 0.00 -0.20 0.00 0.00 0.00 0.00 36.73 37.59 2waq h TYR 683 CO 1.03 0.39 0.09 0.00 -0.00 0.00 0.00 178.16 179.67 2waq s ALA 684 N -3.02 -1.64 0.29 0.10 0.00 -1.26 -4.16 121.76 112.06 2waq s ALA 684 Ca 0.03 1.56 0.05 0.00 0.00 0.00 0.00 51.96 53.60 2waq s ALA 684 Cb 0.07 -0.58 0.44 0.00 0.00 0.00 0.00 23.12 23.05 2waq s ALA 684 CO 0.75 -0.33 1.71 0.00 0.00 0.00 0.00 175.76 177.88 2waq h ALA 685 N 4.18 1.10 -0.91 0.00 0.00 -1.98 -3.05 119.26 118.61 2waq h ALA 685 Ca -0.28 -0.39 -0.45 0.00 0.00 0.00 0.00 54.91 53.79 2waq h ALA 685 Cb 1.16 -0.10 -0.27 0.00 0.00 0.00 0.00 17.79 18.58 2waq h ALA 685 CO 0.23 0.57 0.58 0.27 0.00 0.00 0.00 179.25 180.89 2waq n ASN 686 N -4.07 3.83 0.30 0.00 6.94 -1.26 -4.52 115.26 116.49 2waq n ASN 686 Ca -0.01 -3.47 0.19 0.00 -0.02 0.00 0.00 54.58 51.27 2waq n ASN 686 Cb 0.45 -0.81 1.03 0.00 -2.36 0.00 0.00 39.78 38.09 2waq n ASN 686 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 2waq h TYR 687 N 1.14 0.00 -0.44 -2.53 -0.00 -1.92 -2.07 116.97 111.14 2waq h TYR 687 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.29 2waq h TYR 687 Cb 2.70 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 39.41 2waq h TYR 687 CO 1.47 0.00 0.29 0.37 -0.00 0.00 0.00 178.16 180.29 2waq h GLN 688 N 0.00 0.59 -0.01 0.10 5.75 -1.88 -2.93 115.11 116.73 2waq h GLN 688 Ca 0.02 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2waq h GLN 688 Cb 0.17 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.59 2waq h GLN 688 CO -0.00 0.39 -0.39 1.28 -2.65 0.00 0.00 178.83 177.46 2waq n LEU 689 N -4.78 1.59 -4.77 -2.39 4.32 -0.84 -4.98 117.00 105.16 2waq n LEU 689 Ca 0.01 -0.54 -0.30 0.00 -0.02 0.00 0.00 56.01 55.16 2waq n LEU 689 Cb 0.02 -0.05 0.10 0.00 -1.62 0.00 0.00 43.42 41.87 2waq n LEU 689 CO 0.35 0.30 0.69 -0.13 -1.22 0.00 0.00 177.39 177.38 2waq s ARG 690 N -2.49 1.96 -0.37 3.23 1.81 -0.85 -5.03 118.95 117.21 2waq s ARG 690 Ca 0.21 0.83 0.13 0.00 -1.72 0.00 0.00 55.73 55.19 2waq s ARG 690 Cb 0.19 -1.89 0.42 0.00 -0.45 0.00 0.00 34.95 33.22 2waq s ARG 690 CO 0.55 -1.75 0.93 -2.37 -0.68 0.00 0.00 175.30 171.98 2waq n THR 691 N -3.55 1.17 -2.67 0.02 5.66 -1.26 -5.01 114.28 108.63 2waq n THR 691 Ca 0.07 -3.94 -0.39 0.00 -3.05 0.00 0.00 64.05 56.74 2waq n THR 691 Cb 0.55 -0.06 -0.06 0.00 -1.55 0.00 0.00 70.33 69.21 2waq n THR 691 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2waq s ASP 692 N -3.08 7.45 0.19 1.09 1.01 -1.26 -4.97 116.67 117.10 2waq s ASP 692 Ca 0.36 2.02 -0.12 0.00 0.71 0.00 0.00 52.55 55.51 2waq s ASP 692 Cb 0.41 -2.61 0.17 0.00 1.01 0.00 0.00 42.92 41.90 2waq s ASP 692 CO -0.04 0.01 1.78 0.74 0.21 0.00 0.00 175.17 177.86 2waq h THR 693 N 2.99 0.92 -3.50 -1.27 2.02 -1.96 -3.42 112.91 108.68 2waq h THR 693 Ca -0.46 -0.17 -0.23 0.00 0.77 0.00 0.00 66.41 66.32 2waq h THR 693 Cb 1.20 0.39 -0.29 0.00 -1.74 0.00 0.00 68.15 67.71 2waq h THR 693 CO 0.67 0.09 -0.65 0.00 0.37 0.00 0.00 175.52 176.00 2waq s ARG 694 N -6.12 0.06 0.05 6.66 1.70 -1.25 -2.70 118.95 117.35 2waq s ARG 694 Ca -0.13 0.16 -0.12 0.00 -0.47 0.00 0.00 55.73 55.18 2waq s ARG 694 Cb 0.14 -0.05 0.01 0.00 -0.57 0.00 0.00 34.95 34.48 2waq s ARG 694 CO 0.74 -0.07 0.25 0.00 -1.08 0.00 0.00 175.30 175.14 2waq s ALA 695 N 0.43 -0.52 0.26 7.88 0.00 -0.81 -4.96 121.76 124.04 2waq s ALA 695 Ca -0.03 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 51.81 2waq s ALA 695 Cb -0.05 0.33 -0.06 0.00 0.00 0.00 0.00 23.12 23.35 2waq s ALA 695 CO -0.02 -0.41 -0.05 -1.01 0.00 0.00 0.00 175.76 174.28 2waq s HIS 696 N -2.72 1.83 -0.30 0.00 3.76 -1.26 -0.51 115.29 116.09 2waq s HIS 696 Ca -0.04 -0.76 -0.07 0.00 -0.15 0.00 0.00 55.06 54.04 2waq s HIS 696 Cb -0.00 -1.04 0.16 0.00 1.11 0.00 0.00 32.58 32.81 2waq s HIS 696 CO -0.05 0.19 0.69 -1.17 -0.85 0.00 0.00 174.74 173.55 2waq s LEU 697 N -3.40 -1.15 -0.17 0.89 1.98 -1.16 -4.56 118.68 111.12 2waq s LEU 697 Ca 0.29 1.12 -0.29 0.00 -2.89 0.00 0.00 54.13 52.36 2waq s LEU 697 Cb 0.04 2.13 -0.01 0.00 0.66 0.00 0.00 46.19 49.01 2waq s LEU 697 CO 0.11 -0.22 1.12 -0.22 -1.89 0.00 0.00 176.35 175.25 2waq s LEU 698 N 2.84 4.17 0.20 -0.68 2.96 -1.25 -1.95 118.68 124.97 2waq s LEU 698 Ca 0.06 1.55 -0.11 0.00 -0.22 0.00 0.00 54.13 55.40 2waq s LEU 698 Cb -0.13 -3.54 0.17 0.00 0.50 0.00 0.00 46.19 43.19 2waq s LEU 698 CO -0.19 -0.65 1.82 0.45 -1.32 0.00 0.00 176.35 176.46 2waq h HIS 699 N 7.61 0.69 -3.19 5.38 3.86 -1.67 -3.35 115.15 124.48 2waq h HIS 699 Ca -0.25 0.02 -0.62 0.00 -1.16 0.00 0.00 60.37 58.37 2waq h HIS 699 Cb 1.10 -0.22 -0.40 0.00 1.06 0.00 0.00 27.41 28.95 2waq h HIS 699 CO 0.76 0.37 -0.72 0.71 0.86 0.00 0.00 177.93 179.91 2waq s TYR 700 N -6.12 2.37 0.63 2.45 2.02 -1.26 -5.12 117.35 112.32 2waq s TYR 700 Ca -0.13 -2.48 -0.08 0.00 -0.37 0.00 0.00 57.07 54.01 2waq s TYR 700 Cb 0.15 -2.15 0.00 0.00 -0.40 0.00 0.00 41.96 39.56 2waq s TYR 700 CO 0.75 -0.82 0.98 -1.25 -1.57 0.00 0.00 175.55 173.64 2waq s PRO 701 N 0.60 3.00 0.09 -1.71 0.04 -1.26 -4.79 135.00 130.97 2waq s PRO 701 Ca 0.15 0.25 0.02 0.00 0.04 0.00 0.00 61.00 61.47 2waq s PRO 701 Cb -0.22 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 2waq s PRO 701 CO -0.06 -0.78 -0.08 -0.65 0.04 0.00 0.00 177.00 175.47 2waq s GLN 702 N -5.13 0.80 -0.13 4.56 -0.21 -0.78 -4.97 119.66 113.80 2waq s GLN 702 Ca 0.55 -1.21 -0.29 0.00 0.02 0.00 0.00 55.36 54.43 2waq s GLN 702 Cb -0.11 -0.31 -0.01 0.00 1.00 0.00 0.00 33.01 33.58 2waq s GLN 702 CO 0.48 0.02 0.98 0.50 -2.12 0.00 0.00 175.29 175.15 2waq s ARG 703 N -3.24 4.39 -0.45 2.91 3.52 -1.26 -4.61 118.95 120.21 2waq s ARG 703 Ca 0.07 1.33 -0.29 0.00 -0.13 0.00 0.00 55.73 56.71 2waq s ARG 703 Cb 0.01 -3.56 -0.09 0.00 -1.56 0.00 0.00 34.95 29.75 2waq s ARG 703 CO -0.03 -0.35 2.36 -0.35 -0.81 0.00 0.00 175.30 176.13 2waq n PRO 704 N 5.16 1.17 -1.93 5.12 -0.04 -1.26 -4.80 135.00 138.42 2waq n PRO 704 Ca 0.08 0.18 -0.42 0.00 -0.04 0.00 0.00 63.50 63.31 2waq n PRO 704 Cb 0.48 -3.01 -0.03 0.00 -0.04 0.00 0.00 33.50 30.91 2waq n PRO 704 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2waq s LEU 705 N 10.02 4.37 0.04 1.53 1.43 -1.26 -4.11 118.68 130.69 2waq s LEU 705 Ca 1.05 2.53 0.00 0.00 -1.03 0.00 0.00 54.13 56.68 2waq s LEU 705 Cb -0.46 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.19 2waq s LEU 705 CO 0.35 -0.87 0.00 0.52 0.23 0.00 0.00 176.35 176.58 2waq n VAL 706 N 4.51 -4.91 -2.54 -1.59 0.31 -0.91 -4.76 118.33 108.45 2waq n VAL 706 Ca 0.15 0.85 0.00 0.00 -0.01 0.00 0.00 64.34 65.33 2waq n VAL 706 Cb 0.40 -3.11 0.00 0.00 -0.91 0.00 0.00 33.84 30.22 2waq n VAL 706 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2waq n GLN 707 N 0.47 0.00 -4.16 5.55 10.64 -1.11 -4.97 117.38 123.81 2waq n GLN 707 Ca 0.00 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 55.06 2waq n GLN 707 Cb 0.00 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 29.28 2waq n GLN 707 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2waq s THR 708 N -1.33 0.72 0.19 -0.39 2.01 -1.26 0.17 115.64 115.75 2waq s THR 708 Ca 0.00 -1.79 -0.11 0.00 0.31 0.00 0.00 61.69 60.10 2waq s THR 708 Cb 0.00 -1.50 0.11 0.00 0.01 0.00 0.00 72.50 71.12 2waq s THR 708 CO 0.00 -0.76 1.78 0.03 -0.69 0.00 0.00 174.62 174.97 2waq h ARG 709 N 3.24 0.49 0.00 4.92 3.08 -1.96 -2.23 114.38 121.92 2waq h ARG 709 Ca -0.36 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.66 2waq h ARG 709 Cb 1.17 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.11 2waq h ARG 709 CO 0.60 0.32 0.00 0.00 -1.07 0.00 0.00 179.97 179.82 2waq h ALA 710 N 1.33 1.00 -0.32 0.04 0.00 -1.97 -2.87 119.26 116.47 2waq h ALA 710 Ca 0.26 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.19 2waq h ALA 710 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2waq h ALA 710 CO -0.21 0.00 0.21 1.25 0.00 0.00 0.00 179.25 180.51 2waq h LEU 711 N 0.00 0.32 0.07 0.00 7.12 -1.64 -2.13 115.31 119.04 2waq h LEU 711 Ca 0.00 -0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.00 2waq h LEU 711 Cb 0.18 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.24 2waq h LEU 711 CO 0.00 0.22 -0.03 -0.78 -0.13 0.00 0.00 178.44 177.72 2waq h ASP 712 N 0.37 -0.08 0.51 1.25 3.58 -1.67 -3.13 116.42 117.26 2waq h ASP 712 Ca 0.12 -0.39 -0.02 0.00 0.42 0.00 0.00 57.03 57.16 2waq h ASP 712 Cb 0.04 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2waq h ASP 712 CO -0.03 0.37 -0.24 0.40 -2.88 0.00 0.00 179.24 176.86 2waq h ILE 713 N -0.54 0.49 -0.84 2.25 1.08 -1.67 -3.11 117.51 115.17 2waq h ILE 713 Ca -0.01 -0.08 0.21 0.00 -0.39 0.00 0.00 64.86 64.60 2waq h ILE 713 Cb 0.47 0.53 -0.14 0.00 -3.07 0.00 0.00 36.82 34.60 2waq h ILE 713 CO 0.02 0.01 0.14 0.40 -0.69 0.00 0.00 178.15 178.03 2waq h ILE 714 N -0.73 0.31 0.00 -0.67 2.04 -1.53 -3.46 117.51 113.48 2waq h ILE 714 Ca -0.07 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2waq h ILE 714 Cb 0.55 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2waq h ILE 714 CO 0.11 0.03 0.00 0.61 0.00 0.00 0.00 178.15 178.90 2waq n GLY 715 N -1.40 0.91 0.22 5.37 0.00 -1.18 -5.00 105.19 104.12 2waq n GLY 715 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.26 2waq n GLY 715 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2waq h TYR 716 N 0.00 0.00 0.00 1.61 3.20 -1.81 -2.14 116.97 117.83 2waq h TYR 716 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2waq h TYR 716 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2waq h TYR 716 CO 0.00 0.20 0.00 1.15 -1.64 0.00 0.00 178.16 177.87 2waq h THR 717 N 0.00 0.00 0.01 1.81 2.02 -1.85 -2.74 112.91 112.15 2waq h THR 717 Ca -0.00 -0.29 -0.40 0.00 0.77 0.00 0.00 66.41 66.48 2waq h THR 717 Cb 0.35 1.15 -0.07 0.00 -1.74 0.00 0.00 68.15 67.85 2waq h THR 717 CO 0.03 0.00 -2.46 0.59 0.37 0.00 0.00 175.52 174.05 2waq n ASN 718 N -2.74 1.98 -3.84 4.18 3.02 -0.86 -4.81 115.26 112.19 2waq n ASN 718 Ca 0.00 -0.01 -0.28 0.00 -0.03 0.00 0.00 54.58 54.26 2waq n ASN 718 Cb 0.21 -0.53 -0.12 0.00 -0.61 0.00 0.00 39.78 38.74 2waq n ASN 718 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2waq n ARG 719 N -3.50 1.75 -1.55 3.52 1.74 -0.88 -5.10 116.66 112.65 2waq n ARG 719 Ca -0.47 -4.41 -0.14 0.00 -0.77 0.00 0.00 57.85 52.06 2waq n ARG 719 Cb 0.97 -2.24 0.08 0.00 -1.02 0.00 0.00 32.46 30.25 2waq n ARG 719 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2waq n PRO 720 N 1.96 -0.09 -2.70 5.56 -0.04 -1.04 -4.64 135.00 134.00 2waq n PRO 720 Ca 0.21 -1.46 -0.06 0.00 -0.04 0.00 0.00 63.50 62.15 2waq n PRO 720 Cb 0.36 -0.51 0.07 0.00 -0.04 0.00 0.00 33.50 33.38 2waq n PRO 720 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2waq n ALA 721 N -3.11 2.62 0.00 0.55 0.00 -1.26 -3.43 120.51 115.87 2waq n ALA 721 Ca -0.10 -2.34 0.00 0.00 0.00 0.00 0.00 53.44 51.00 2waq n ALA 721 Cb 0.34 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.86 2waq n ALA 721 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2waq n GLY 722 N -0.45 1.48 3.83 0.00 0.00 -1.25 -3.95 105.19 104.84 2waq n GLY 722 Ca 0.03 -0.87 -0.21 0.00 0.00 0.00 0.00 46.02 44.96 2waq n GLY 722 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2waq s ASN 723 N 0.00 5.19 -0.40 1.61 -0.87 -1.04 -1.86 114.94 117.57 2waq s ASN 723 Ca 0.00 -0.54 -0.23 0.00 -1.57 0.00 0.00 52.86 50.53 2waq s ASN 723 Cb 0.00 -0.94 0.01 0.00 -0.02 0.00 0.00 41.25 40.31 2waq s ASN 723 CO 0.00 -0.34 0.75 0.20 -2.57 0.00 0.00 177.10 175.14 2waq s ASN 724 N -3.97 6.46 0.05 -1.22 0.01 -1.26 -1.76 114.94 113.26 2waq s ASN 724 Ca 0.40 0.11 0.03 0.00 -0.71 0.00 0.00 52.86 52.69 2waq s ASN 724 Cb -0.05 -2.38 -0.04 0.00 0.41 0.00 0.00 41.25 39.19 2waq s ASN 724 CO 0.26 -0.78 0.02 0.00 -1.51 0.00 0.00 177.10 175.09 2waq s ALA 725 N 3.09 3.35 -0.26 0.60 0.00 -0.81 -4.93 121.76 122.79 2waq s ALA 725 Ca 0.29 -1.02 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 2waq s ALA 725 Cb -0.13 -1.31 -0.00 0.00 0.00 0.00 0.00 23.12 21.68 2waq s ALA 725 CO 0.19 0.69 1.31 0.42 0.00 0.00 0.00 175.76 178.37 2waq s ILE 726 N -1.23 4.15 -0.20 0.00 1.09 -1.26 -0.76 121.20 122.99 2waq s ILE 726 Ca 0.24 1.32 -0.10 0.00 -1.10 0.00 0.00 60.65 61.01 2waq s ILE 726 Cb -0.12 -4.09 -0.05 0.00 -1.06 0.00 0.00 42.46 37.14 2waq s ILE 726 CO 0.16 -0.38 0.12 -0.22 -0.10 0.00 0.00 174.94 174.51 2waq s LEU 727 N 4.21 4.12 -0.14 2.97 2.96 0.14 -1.64 118.68 131.31 2waq s LEU 727 Ca 0.57 0.19 0.02 0.00 -0.22 0.00 0.00 54.13 54.68 2waq s LEU 727 Cb -0.18 -2.07 0.01 0.00 0.50 0.00 0.00 46.19 44.46 2waq s LEU 727 CO 0.21 0.16 -0.19 0.00 -1.32 0.00 0.00 176.35 175.22 2waq s ALA 728 N 0.45 2.09 -1.22 5.97 0.00 -0.64 -0.44 121.76 127.97 2waq s ALA 728 Ca 0.07 -1.01 -0.13 0.00 0.00 0.00 0.00 51.96 50.89 2waq s ALA 728 Cb -0.12 -1.00 0.17 0.00 0.00 0.00 0.00 23.12 22.17 2waq s ALA 728 CO -0.01 -0.15 1.52 0.28 0.00 0.00 0.00 175.76 177.39 2waq n VAL 729 N 4.31 4.29 -5.15 0.00 0.31 -0.91 -2.73 118.33 118.45 2waq n VAL 729 Ca -0.20 -4.69 -0.32 0.00 -0.01 0.00 0.00 64.34 59.13 2waq n VAL 729 Cb 0.51 -2.44 -0.15 0.00 -0.91 0.00 0.00 33.84 30.84 2waq n VAL 729 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2waq s ILE 730 N 1.25 2.36 -1.25 2.52 1.01 -1.21 -4.56 121.20 121.32 2waq s ILE 730 Ca 0.42 -0.97 -0.15 0.00 0.00 0.00 0.00 60.65 59.95 2waq s ILE 730 Cb -0.01 -1.88 0.13 0.00 0.01 0.00 0.00 42.46 40.72 2waq s ILE 730 CO 0.00 0.57 1.58 -1.54 0.00 0.00 0.00 174.94 175.56 2waq n SER 731 N 2.71 5.08 -4.61 3.58 3.41 -1.26 -4.47 113.62 118.06 2waq n SER 731 Ca -0.17 -2.96 -0.23 0.00 -0.26 0.00 0.00 58.87 55.25 2waq n SER 731 Cb 0.52 -1.64 -0.08 0.00 -0.26 0.00 0.00 64.21 62.75 2waq n SER 731 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2waq s PHE 732 N 2.56 2.58 0.00 7.33 5.36 -1.26 -5.05 117.98 129.50 2waq s PHE 732 Ca 0.47 -0.29 0.00 0.00 -0.96 0.00 0.00 56.93 56.15 2waq s PHE 732 Cb 0.01 -1.22 0.00 0.00 -0.34 0.00 0.00 43.02 41.47 2waq s PHE 732 CO 0.03 0.61 0.00 -2.37 -1.46 0.00 0.00 175.22 172.03 2waq n THR 733 N -0.85 0.00 0.00 0.12 5.66 -1.26 -4.08 114.28 113.86 2waq n THR 733 Ca -0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 2waq n THR 733 Cb 0.60 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 2waq n THR 733 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2waq n GLY 734 N 0.00 -1.03 0.00 1.09 0.00 -1.26 -4.94 105.19 99.05 2waq n GLY 734 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2waq n GLY 734 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2waq n TYR 735 N 0.00 0.00 -3.77 1.61 4.01 -1.26 -4.81 117.16 112.94 2waq n TYR 735 Ca 0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.38 2waq n TYR 735 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 38.92 2waq n TYR 735 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2waq s ASN 736 N 0.00 5.24 0.00 7.72 2.20 -1.26 -4.24 114.94 124.61 2waq s ASN 736 Ca 0.00 -2.13 0.00 0.00 -0.94 0.00 0.00 52.86 49.79 2waq s ASN 736 Cb 0.00 -1.83 0.00 0.00 -2.00 0.00 0.00 41.25 37.42 2waq s ASN 736 CO 0.00 -0.52 0.00 0.23 -2.94 0.00 0.00 177.10 173.87 2waq n MET 737 N 4.45 0.00 -2.23 3.55 2.81 -1.25 -4.47 117.12 119.98 2waq n MET 737 Ca -0.01 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.56 2waq n MET 737 Cb 0.41 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.88 2waq n MET 737 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2waq s GLU 738 N 0.00 2.95 -0.13 0.03 0.41 -1.26 -4.01 118.70 116.69 2waq s GLU 738 Ca 0.00 -1.10 0.00 0.00 -0.41 0.00 0.00 54.97 53.46 2waq s GLU 738 Cb 0.00 -5.27 0.00 0.00 -1.78 0.00 0.00 34.13 27.08 2waq s GLU 738 CO 0.00 -3.25 0.00 -3.47 -0.49 0.00 0.00 175.26 168.05 2waq n ASP 739 N 12.35 -0.43 -4.83 -0.19 2.03 -1.26 -4.92 116.55 119.30 2waq n ASP 739 Ca 0.43 0.07 -0.31 0.00 0.52 0.00 0.00 54.79 55.51 2waq n ASP 739 Cb 0.47 -0.81 0.06 0.00 -0.72 0.00 0.00 41.12 40.12 2waq n ASP 739 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2waq s SER 740 N -1.20 5.19 0.07 1.67 0.15 -1.26 -4.08 113.70 114.26 2waq s SER 740 Ca 0.00 1.42 0.05 0.00 0.70 0.00 0.00 55.95 58.12 2waq s SER 740 Cb 0.00 -2.26 -0.03 0.00 -1.71 0.00 0.00 66.02 62.02 2waq s SER 740 CO 0.00 -1.54 -0.13 -0.51 1.20 0.00 0.00 173.24 172.26 2waq s ILE 741 N -3.14 1.04 -0.09 6.45 2.07 0.14 -3.89 121.20 123.77 2waq s ILE 741 Ca 0.59 -1.35 0.01 0.00 -1.41 0.00 0.00 60.65 58.49 2waq s ILE 741 Cb -0.13 -1.08 0.02 0.00 0.13 0.00 0.00 42.46 41.39 2waq s ILE 741 CO 0.54 -0.30 -0.12 -0.51 -1.91 0.00 0.00 174.94 172.64 2waq s ILE 742 N -1.49 1.20 0.03 2.00 -1.16 -1.21 0.15 121.20 120.71 2waq s ILE 742 Ca -0.01 -0.47 0.08 0.00 -0.51 0.00 0.00 60.65 59.74 2waq s ILE 742 Cb -0.09 -1.12 -0.03 0.00 0.61 0.00 0.00 42.46 41.83 2waq s ILE 742 CO 0.02 0.38 -0.25 -0.32 -2.81 0.00 0.00 174.94 171.96 2waq s MET 743 N 1.01 1.78 -0.14 3.50 1.75 -0.93 -1.76 119.30 124.51 2waq s MET 743 Ca -0.08 -1.01 -0.29 0.00 -1.25 0.00 0.00 55.69 53.06 2waq s MET 743 Cb -0.15 -1.88 -0.06 0.00 2.84 0.00 0.00 34.83 35.59 2waq s MET 743 CO -0.01 0.49 1.99 1.21 -0.65 0.00 0.00 175.02 178.05 2waq s ASN 744 N -1.04 6.01 0.22 1.11 3.84 -0.77 -2.25 114.94 122.07 2waq s ASN 744 Ca 0.10 2.07 -0.08 0.00 0.21 0.00 0.00 52.86 55.17 2waq s ASN 744 Cb -0.10 -2.52 0.27 0.00 -0.55 0.00 0.00 41.25 38.35 2waq s ASN 744 CO 0.01 -1.49 1.83 -0.09 -2.79 0.00 0.00 177.10 174.57 2waq h ARG 745 N 12.52 0.81 0.00 0.43 2.43 -1.44 -2.60 114.38 126.54 2waq h ARG 745 Ca -0.42 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 58.64 2waq h ARG 745 Cb 1.22 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 2waq h ARG 745 CO 0.97 0.54 -0.31 0.77 -1.51 0.00 0.00 179.97 180.43 2waq h SER 746 N 0.84 0.00 0.78 -3.80 0.02 -1.91 -1.63 113.55 107.85 2waq h SER 746 Ca 0.33 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.13 2waq h SER 746 Cb 0.15 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 2waq h SER 746 CO -0.16 0.31 -0.70 0.28 -1.14 0.00 0.00 176.83 175.41 2waq h SER 747 N 0.00 0.00 -0.13 3.07 0.02 -1.86 -2.35 113.55 112.30 2waq h SER 747 Ca -0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 2waq h SER 747 Cb 0.91 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.45 2waq h SER 747 CO 0.04 0.70 -0.58 0.58 -1.14 0.00 0.00 176.83 176.43 2waq h VAL 748 N 0.00 1.30 0.00 2.27 2.07 -1.09 -2.14 116.25 118.66 2waq h VAL 748 Ca -0.01 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.71 2waq h VAL 748 Cb 1.28 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 2waq h VAL 748 CO 0.09 0.57 0.00 -0.62 0.02 0.00 0.00 177.57 177.63 2waq n GLU 749 N -3.97 0.12 0.00 1.57 1.02 -0.65 -2.27 120.64 116.46 2waq n GLU 749 Ca -0.04 0.27 0.12 0.00 -0.02 0.00 0.00 57.16 57.49 2waq n GLU 749 Cb 0.64 -1.70 0.17 0.00 -0.02 0.00 0.00 31.44 30.52 2waq n GLU 749 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2waq n ARG 750 N -1.92 0.91 0.00 3.49 1.74 -0.89 -4.97 116.66 115.01 2waq n ARG 750 Ca 0.04 -0.66 0.00 0.00 -0.77 0.00 0.00 57.85 56.45 2waq n ARG 750 Cb 0.27 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 2waq n ARG 750 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2waq n GLY 751 N 1.39 1.15 3.76 -0.13 0.00 -0.96 -5.08 105.19 105.33 2waq n GLY 751 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2waq n GLY 751 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2waq s MET 752 N -0.07 4.45 -1.92 1.61 0.00 -0.82 -3.53 119.30 119.03 2waq s MET 752 Ca 0.00 2.05 0.00 0.00 0.00 0.00 0.00 55.69 57.74 2waq s MET 752 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 34.83 31.69 2waq s MET 752 CO 0.00 -0.08 0.00 0.66 0.00 0.00 0.00 175.02 175.60 2waq n TYR 753 N 1.33 -0.28 -2.82 4.11 0.53 -1.26 -4.56 117.16 114.21 2waq n TYR 753 Ca 0.01 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.49 2waq n TYR 753 Cb 0.43 -3.39 -0.06 0.00 -1.03 0.00 0.00 39.34 35.29 2waq n TYR 753 CO 0.00 0.00 0.00 1.03 -1.02 0.00 0.00 176.86 176.87 2waq s ARG 754 N -4.03 4.73 0.31 -0.72 0.52 -1.23 -4.22 118.95 114.31 2waq s ARG 754 Ca 0.00 1.37 0.03 0.00 -0.52 0.00 0.00 55.73 56.61 2waq s ARG 754 Cb 0.00 -3.30 -0.05 0.00 0.52 0.00 0.00 34.95 32.12 2waq s ARG 754 CO 0.00 0.45 0.11 -1.54 0.02 0.00 0.00 175.30 174.34 2waq s SER 755 N -0.84 1.85 -0.09 0.23 1.04 -0.82 -1.61 113.70 113.44 2waq s SER 755 Ca 0.41 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 55.37 2waq s SER 755 Cb -0.24 0.20 0.02 0.00 0.10 0.00 0.00 66.02 66.10 2waq s SER 755 CO 0.30 -0.77 -0.08 -0.89 0.98 0.00 0.00 173.24 172.78 2waq s THR 756 N -3.51 0.98 -0.07 2.02 2.01 -0.82 -1.55 115.64 114.69 2waq s THR 756 Ca 0.35 -0.30 -0.18 0.00 0.31 0.00 0.00 61.69 61.86 2waq s THR 756 Cb 0.07 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.56 2waq s THR 756 CO 0.15 0.35 0.49 0.12 -0.69 0.00 0.00 174.62 175.03 2waq s PHE 757 N 1.35 3.59 -0.23 4.92 5.36 -0.81 -2.97 117.98 129.18 2waq s PHE 757 Ca -0.02 0.97 -0.04 0.00 -0.96 0.00 0.00 56.93 56.88 2waq s PHE 757 Cb -0.14 -2.51 -0.00 0.00 -0.34 0.00 0.00 43.02 40.03 2waq s PHE 757 CO -0.04 0.30 -0.03 -0.06 -1.46 0.00 0.00 175.22 173.93 2waq s PHE 758 N 0.13 2.99 0.19 10.12 0.40 0.33 -1.52 117.98 130.63 2waq s PHE 758 Ca 0.26 -0.99 0.10 0.00 -0.60 0.00 0.00 56.93 55.70 2waq s PHE 758 Cb -0.16 -2.12 -0.04 0.00 0.51 0.00 0.00 43.02 41.21 2waq s PHE 758 CO 0.12 -0.56 -0.15 0.50 0.70 0.00 0.00 175.22 175.83 2waq s ARG 759 N 1.47 1.86 0.01 0.44 3.52 -0.66 -1.93 118.95 123.67 2waq s ARG 759 Ca 0.05 -1.39 0.06 0.00 -0.13 0.00 0.00 55.73 54.33 2waq s ARG 759 Cb -0.15 -2.03 -0.02 0.00 -1.56 0.00 0.00 34.95 31.19 2waq s ARG 759 CO -0.03 0.42 -0.20 -1.17 -0.81 0.00 0.00 175.30 173.51 2waq s LEU 760 N -2.84 2.10 -0.05 -0.88 0.20 -1.10 -0.81 118.68 115.31 2waq s LEU 760 Ca 0.24 -0.43 0.02 0.00 0.69 0.00 0.00 54.13 54.65 2waq s LEU 760 Cb -0.08 -0.96 0.02 0.00 -0.43 0.00 0.00 46.19 44.73 2waq s LEU 760 CO 0.13 0.19 -0.08 -0.31 -0.29 0.00 0.00 176.35 176.00 2waq s TYR 761 N -0.62 0.98 0.06 5.38 1.51 0.67 -4.99 117.35 120.33 2waq s TYR 761 Ca 0.07 -0.30 -0.14 0.00 -1.01 0.00 0.00 57.07 55.68 2waq s TYR 761 Cb -0.08 -0.77 0.02 0.00 -0.11 0.00 0.00 41.96 41.02 2waq s TYR 761 CO 0.00 -0.19 0.33 -1.54 -1.11 0.00 0.00 175.55 173.04 2waq s SER 762 N 0.69 -0.15 -0.10 2.29 1.04 -1.26 0.19 113.70 116.41 2waq s SER 762 Ca -0.11 -0.21 -0.10 0.00 0.48 0.00 0.00 55.95 56.01 2waq s SER 762 Cb -0.14 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.39 2waq s SER 762 CO 0.01 -0.66 0.28 -0.89 0.98 0.00 0.00 173.24 172.96 2waq s THR 763 N -2.79 0.01 0.37 2.02 2.01 -0.90 -5.02 115.64 111.33 2waq s THR 763 Ca -0.03 -0.04 -0.09 0.00 0.31 0.00 0.00 61.69 61.83 2waq s THR 763 Cb -0.00 -0.41 -0.06 0.00 0.01 0.00 0.00 72.50 72.03 2waq s THR 763 CO -0.05 -0.02 0.71 -1.61 -0.69 0.00 0.00 174.62 172.96 2waq s GLU 764 N 0.03 3.75 -0.99 4.92 2.02 -1.26 -2.31 118.70 124.86 2waq s GLU 764 Ca -0.01 0.35 -0.02 0.00 0.02 0.00 0.00 54.97 55.31 2waq s GLU 764 Cb -0.02 -2.46 0.28 0.00 0.10 0.00 0.00 34.13 32.03 2waq s GLU 764 CO 0.01 0.04 2.02 -1.91 0.02 0.00 0.00 175.26 175.43 2waq n GLU 765 N -1.16 4.47 -3.72 1.61 2.13 -0.72 -4.90 120.64 118.34 2waq n GLU 765 Ca 0.01 -4.07 -0.12 0.00 0.66 0.00 0.00 57.16 53.65 2waq n GLU 765 Cb 0.54 -2.42 -0.11 0.00 0.27 0.00 0.00 31.44 29.72 2waq n GLU 765 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2waq s VAL 766 N -3.97 -0.02 0.00 6.31 0.11 -1.26 -4.65 120.40 116.92 2waq s VAL 766 Ca 0.46 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.58 2waq s VAL 766 Cb 0.26 -0.54 0.00 0.00 -1.53 0.00 0.00 36.38 34.57 2waq s VAL 766 CO -0.20 0.03 0.00 0.29 -3.33 0.00 0.00 175.10 171.89 2waq n LYS 767 N 3.82 4.17 -3.45 1.54 4.01 -1.26 -4.95 118.16 122.04 2waq n LYS 767 Ca -0.20 0.00 -0.28 0.00 -0.51 0.00 0.00 58.31 57.32 2waq n LYS 767 Cb 0.56 -0.62 -0.11 0.00 -0.51 0.00 0.00 35.03 34.34 2waq n LYS 767 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 2waq s TYR 768 N -0.57 0.62 -0.51 2.13 1.51 -1.26 -4.91 117.35 114.36 2waq s TYR 768 Ca 0.00 -1.56 0.24 0.00 -1.01 0.00 0.00 57.07 54.74 2waq s TYR 768 Cb 0.00 -0.85 0.96 0.00 -0.11 0.00 0.00 41.96 41.96 2waq s TYR 768 CO 0.00 -0.84 1.72 -0.35 -1.11 0.00 0.00 175.55 174.96 2waq n PRO 769 N 4.02 0.20 -2.46 -1.71 -0.04 -1.26 -2.81 135.00 130.94 2waq n PRO 769 Ca 0.13 0.40 -0.12 0.00 -0.04 0.00 0.00 63.50 63.86 2waq n PRO 769 Cb 0.38 -1.86 0.03 0.00 -0.04 0.00 0.00 33.50 32.01 2waq n PRO 769 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2waq n GLY 770 N 0.14 3.98 0.00 0.55 0.00 -1.26 -4.96 105.19 103.63 2waq n GLY 770 Ca 0.02 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.19 2waq n GLY 770 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2waq n GLY 771 N -0.61 -1.27 1.10 -0.02 0.00 -1.16 -5.11 105.19 98.11 2waq n GLY 771 Ca 0.25 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.69 2waq n GLY 771 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2waq n GLN 772 N -0.74 0.00 -1.43 1.61 6.02 -1.18 -5.08 117.38 116.56 2waq n GLN 772 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2waq n GLN 772 Cb 0.00 -0.34 0.00 0.00 1.02 0.00 0.00 30.24 30.92 2waq n GLN 772 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2waq n GLU 773 N -3.22 -3.11 -4.32 -1.09 0.00 -1.12 -4.94 120.64 102.84 2waq n GLU 773 Ca 0.00 2.43 -0.24 0.00 0.00 0.00 0.00 57.16 59.35 2waq n GLU 773 Cb 0.00 -2.46 -0.08 0.00 0.00 0.00 0.00 31.44 28.90 2waq n GLU 773 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2waq s ASP 774 N -0.30 4.35 0.56 4.31 1.01 -1.26 -4.97 116.67 120.37 2waq s ASP 774 Ca 0.00 -0.68 0.08 0.00 0.71 0.00 0.00 52.55 52.67 2waq s ASP 774 Cb 0.00 -0.75 0.07 0.00 1.01 0.00 0.00 42.92 43.25 2waq s ASP 774 CO 0.00 0.03 0.66 -0.54 0.21 0.00 0.00 175.17 175.53 2waq s LYS 775 N -3.45 2.32 -0.49 8.23 1.02 -1.25 -4.42 119.74 121.70 2waq s LYS 775 Ca 0.30 -1.73 -0.17 0.00 0.02 0.00 0.00 55.97 54.39 2waq s LYS 775 Cb -0.07 -2.49 0.07 0.00 -0.52 0.00 0.00 37.83 34.83 2waq s LYS 775 CO 0.18 -0.75 0.48 0.42 -0.92 0.00 0.00 175.35 174.76 2waq s ILE 776 N -2.68 5.11 0.23 2.17 1.01 -1.26 -2.93 121.20 122.84 2waq s ILE 776 Ca 0.53 -0.90 -0.05 0.00 0.00 0.00 0.00 60.65 60.23 2waq s ILE 776 Cb -0.05 -4.20 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 2waq s ILE 776 CO 0.33 -0.68 0.26 -0.69 0.00 0.00 0.00 174.94 174.17 2waq s VAL 777 N 1.98 0.00 -0.32 2.92 1.01 -1.21 -4.77 120.40 120.01 2waq s VAL 777 Ca 0.08 -1.79 -0.29 0.00 0.00 0.00 0.00 61.98 59.98 2waq s VAL 777 Cb -0.23 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.75 2waq s VAL 777 CO 0.08 0.00 1.22 0.00 0.00 0.00 0.00 175.10 176.41 2waq s MET 778 N -4.04 3.95 0.85 2.72 0.23 -1.23 -2.40 119.30 119.38 2waq s MET 778 Ca 0.33 1.16 -0.13 0.00 -1.03 0.00 0.00 55.69 56.02 2waq s MET 778 Cb 0.04 -3.84 0.07 0.00 -1.53 0.00 0.00 34.83 29.57 2waq s MET 778 CO 0.12 -1.07 0.94 -2.30 -2.03 0.00 0.00 175.02 170.68 2waq n PRO 779 N 7.21 -0.04 -2.25 3.16 -0.02 -1.26 -4.96 135.00 136.84 2waq n PRO 779 Ca 0.14 0.06 -0.42 0.00 -2.02 0.00 0.00 63.50 61.25 2waq n PRO 779 Cb 0.47 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 2waq n PRO 779 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2waq s GLU 780 N -3.94 4.36 0.33 -0.52 2.56 -1.26 -4.90 118.70 115.33 2waq s GLU 780 Ca 0.68 1.97 0.02 0.00 0.00 0.00 0.00 54.97 57.64 2waq s GLU 780 Cb -0.27 -3.28 0.11 0.00 2.00 0.00 0.00 34.13 32.69 2waq s GLU 780 CO 0.57 -0.38 0.84 -1.35 -0.56 0.00 0.00 175.26 174.38 2waq h PRO 781 N 6.79 0.00 0.00 4.30 0.11 -2.03 -3.42 132.00 137.75 2waq h PRO 781 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2waq h PRO 781 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2waq h PRO 781 CO 0.85 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.05 2waq n GLY 782 N -1.26 5.32 2.98 -0.55 0.00 -1.26 -4.97 105.19 105.45 2waq n GLY 782 Ca -0.00 -1.43 -0.53 0.00 0.00 0.00 0.00 46.02 44.06 2waq n GLY 782 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2waq n VAL 783 N 0.00 0.00 -3.80 1.61 0.31 -1.26 -4.34 118.33 110.85 2waq n VAL 783 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2waq n VAL 783 Cb 0.00 -0.25 -0.12 0.00 -0.91 0.00 0.00 33.84 32.56 2waq n VAL 783 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2waq s ARG 784 N 1.53 0.29 0.00 5.55 6.06 -1.02 -4.76 118.95 126.61 2waq s ARG 784 Ca 0.81 0.20 0.00 0.00 -2.50 0.00 0.00 55.73 54.25 2waq s ARG 784 Cb -1.15 0.14 0.00 0.00 0.06 0.00 0.00 34.95 34.00 2waq s ARG 784 CO 0.59 -0.04 0.00 0.41 -2.50 0.00 0.00 175.30 173.76 2waq n GLY 785 N 2.74 0.84 3.72 8.12 0.00 -1.26 -4.27 105.19 115.07 2waq n GLY 785 Ca -0.14 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 2waq n GLY 785 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2waq s TYR 786 N -2.00 3.14 0.11 1.61 5.04 -1.26 -4.78 117.35 119.22 2waq s TYR 786 Ca 0.00 0.78 -0.10 0.00 -2.44 0.00 0.00 57.07 55.31 2waq s TYR 786 Cb 0.00 -3.81 -0.12 0.00 0.35 0.00 0.00 41.96 38.38 2waq s TYR 786 CO 0.00 -2.93 1.31 0.87 -1.34 0.00 0.00 175.55 173.46 2waq h LYS 787 N 6.81 0.68 0.00 4.97 1.57 -1.96 -3.50 116.57 125.15 2waq h LYS 787 Ca -0.42 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 57.76 2waq h LYS 787 Cb 1.21 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.65 2waq h LYS 787 CO 0.89 1.21 0.00 0.41 -0.57 0.00 0.00 179.45 181.39 2waq n GLY 788 N 0.75 -0.09 7.00 3.86 0.00 -1.26 -4.98 105.19 110.48 2waq n GLY 788 Ca -0.07 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.24 2waq n GLY 788 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2waq n LYS 789 N 0.06 0.00 -0.05 1.61 4.76 -1.26 -3.08 118.16 120.20 2waq n LYS 789 Ca 0.00 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.45 2waq n LYS 789 Cb 0.00 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.22 2waq n LYS 789 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2waq n GLU 790 N 14.00 1.24 0.25 1.97 4.71 -1.26 -3.59 120.64 137.97 2waq n GLU 790 Ca 0.00 -0.25 0.14 0.00 -0.01 0.00 0.00 57.16 57.04 2waq n GLU 790 Cb 0.00 -1.30 0.52 0.00 -1.01 0.00 0.00 31.44 29.65 2waq n GLU 790 CO 0.00 0.00 0.00 1.88 0.09 0.00 0.00 177.13 179.10 2waq h TYR 791 N 0.36 0.00 -0.49 -0.32 0.05 -1.91 -3.08 116.97 111.58 2waq h TYR 791 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2waq h TYR 791 Cb 0.35 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.09 2waq h TYR 791 CO 0.07 0.06 0.00 0.66 -1.05 0.00 0.00 178.16 177.90 2waq n TYR 792 N -3.16 0.66 -0.02 4.88 4.02 -1.24 -1.87 117.16 120.44 2waq n TYR 792 Ca 0.01 -0.47 0.01 0.00 -0.01 0.00 0.00 57.90 57.44 2waq n TYR 792 Cb 0.39 -0.01 0.33 0.00 -0.02 0.00 0.00 39.34 40.02 2waq n TYR 792 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2waq h ARG 793 N 3.07 0.56 -0.00 -0.72 9.65 -1.78 -3.00 114.38 122.16 2waq h ARG 793 Ca 0.00 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 2waq h ARG 793 Cb 0.84 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.32 2waq h ARG 793 CO 0.00 0.51 -0.23 1.28 2.80 0.00 0.00 179.97 184.33 2waq n LEU 794 N -4.34 0.36 -4.77 3.80 4.77 -1.26 -4.88 117.00 110.68 2waq n LEU 794 Ca 0.02 0.15 -0.38 0.00 -0.03 0.00 0.00 56.01 55.77 2waq n LEU 794 Cb 0.18 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 2waq n LEU 794 CO 0.38 0.08 0.79 -0.76 -1.33 0.00 0.00 177.39 176.54 2waq s LEU 795 N -2.83 4.27 -0.21 2.23 1.43 -1.14 -3.86 118.68 118.57 2waq s LEU 795 Ca 0.17 2.20 0.01 0.00 -1.03 0.00 0.00 54.13 55.49 2waq s LEU 795 Cb 0.19 -3.98 0.03 0.00 0.03 0.00 0.00 46.19 42.46 2waq s LEU 795 CO 0.58 -0.46 -0.15 -1.61 0.23 0.00 0.00 176.35 174.94 2waq s GLU 796 N -2.14 2.75 0.37 1.70 0.41 -0.78 -4.91 118.70 116.09 2waq s GLU 796 Ca 0.54 -1.00 0.00 0.00 -0.41 0.00 0.00 54.97 54.10 2waq s GLU 796 Cb -0.28 -2.73 0.00 0.00 -1.78 0.00 0.00 34.13 29.34 2waq s GLU 796 CO 0.35 -0.34 0.00 -0.25 -0.49 0.00 0.00 175.26 174.53 2waq n ASP 797 N 4.57 0.00 -0.30 -0.19 9.92 -1.26 -2.46 116.55 126.83 2waq n ASP 797 Ca -0.18 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.03 2waq n ASP 797 Cb 0.47 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 41.02 2waq n ASP 797 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2waq h ASN 798 N 0.00 0.98 0.00 -2.24 7.08 -1.96 -3.44 115.58 115.99 2waq h ASN 798 Ca 0.00 -0.07 0.00 0.00 -3.08 0.00 0.00 56.30 53.15 2waq h ASN 798 Cb 0.00 -0.25 0.00 0.00 -2.08 0.00 0.00 38.32 35.99 2waq h ASN 798 CO 0.00 0.76 0.00 0.61 -2.08 0.00 0.00 177.43 176.72 2waq n GLY 799 N -1.19 0.56 3.04 9.14 0.00 -1.03 -3.51 105.19 112.19 2waq n GLY 799 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 2waq n GLY 799 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2waq s VAL 800 N -0.56 0.77 0.76 1.61 1.01 -1.25 -0.92 120.40 121.83 2waq s VAL 800 Ca 0.00 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 2waq s VAL 800 Cb 0.00 -0.66 0.05 0.00 0.00 0.00 0.00 36.38 35.77 2waq s VAL 800 CO 0.00 0.14 1.21 1.33 0.00 0.00 0.00 175.10 177.77 2waq n VAL 801 N 2.63 2.87 -2.82 2.92 0.24 -0.96 -1.87 118.33 121.33 2waq n VAL 801 Ca -0.15 -0.30 -0.35 0.00 -2.04 0.00 0.00 64.34 61.50 2waq n VAL 801 Cb 0.56 -1.27 -0.07 0.00 -1.47 0.00 0.00 33.84 31.60 2waq n VAL 801 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2waq s SER 802 N -1.88 7.15 -0.08 -1.34 1.04 -1.25 -4.83 113.70 112.51 2waq s SER 802 Ca 0.76 1.74 0.02 0.00 0.48 0.00 0.00 55.95 58.95 2waq s SER 802 Cb -0.32 -2.55 0.18 0.00 0.10 0.00 0.00 66.02 63.43 2waq s SER 802 CO 0.48 -0.18 0.98 -0.81 0.98 0.00 0.00 173.24 174.70 2waq n PRO 803 N 0.08 1.63 -2.70 4.02 -0.04 -1.26 -3.36 135.00 133.38 2waq n PRO 803 Ca 0.04 -0.72 -0.07 0.00 -0.04 0.00 0.00 63.50 62.71 2waq n PRO 803 Cb 0.52 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.54 2waq n PRO 803 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2waq n GLU 804 N 0.13 1.26 -4.93 0.54 -0.58 -1.25 -4.07 120.64 111.74 2waq n GLU 804 Ca 0.10 -2.88 -0.33 0.00 -0.42 0.00 0.00 57.16 53.64 2waq n GLU 804 Cb 0.61 -0.95 -0.13 0.00 -0.57 0.00 0.00 31.44 30.39 2waq n GLU 804 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2waq s VAL 805 N -2.35 2.98 0.04 2.62 1.01 -1.21 -4.89 120.40 118.59 2waq s VAL 805 Ca 0.25 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 61.17 2waq s VAL 805 Cb 0.42 -2.16 -0.06 0.00 0.00 0.00 0.00 36.38 34.59 2waq s VAL 805 CO -0.01 0.59 1.37 -1.61 0.00 0.00 0.00 175.10 175.44 2waq s GLU 806 N -0.71 4.31 -0.05 2.72 2.02 -1.26 -2.17 118.70 123.56 2waq s GLU 806 Ca 0.11 1.97 0.01 0.00 0.02 0.00 0.00 54.97 57.09 2waq s GLU 806 Cb -0.11 -3.45 0.02 0.00 0.10 0.00 0.00 34.13 30.69 2waq s GLU 806 CO 0.00 -0.50 -0.07 0.08 0.02 0.00 0.00 175.26 174.79 2waq s VAL 807 N 1.87 0.75 0.09 2.63 1.01 0.07 -5.00 120.40 121.82 2waq s VAL 807 Ca 0.63 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.38 2waq s VAL 807 Cb -0.33 -0.74 -0.00 0.00 0.00 0.00 0.00 36.38 35.31 2waq s VAL 807 CO 0.28 0.27 0.04 0.29 0.00 0.00 0.00 175.10 175.99 2waq n LYS 808 N 4.01 0.65 0.00 2.72 4.01 -1.26 -1.34 118.16 126.95 2waq n LYS 808 Ca -0.24 -0.82 0.00 0.00 -0.51 0.00 0.00 58.31 56.74 2waq n LYS 808 Cb 0.51 0.51 0.00 0.00 -0.51 0.00 0.00 35.03 35.54 2waq n LYS 808 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2waq n GLY 809 N 1.12 0.19 1.97 0.72 0.00 -1.18 -2.60 105.19 105.42 2waq n GLY 809 Ca -0.01 0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 2waq n GLY 809 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2waq n GLY 810 N 0.00 5.32 3.72 -0.02 0.00 -1.26 -4.18 105.19 108.77 2waq n GLY 810 Ca 0.00 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 2waq n GLY 810 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2waq s ASP 811 N -2.10 7.02 0.01 1.61 1.11 -1.07 -4.67 116.67 118.57 2waq s ASP 811 Ca 0.56 2.16 -0.30 0.00 0.18 0.00 0.00 52.55 55.14 2waq s ASP 811 Cb 0.46 -2.59 -0.05 0.00 1.07 0.00 0.00 42.92 41.81 2waq s ASP 811 CO 0.03 -0.48 1.37 -0.69 1.18 0.00 0.00 175.17 176.59 2waq s VAL 812 N 0.68 3.75 -0.26 -1.27 1.01 -0.78 -1.76 120.40 121.78 2waq s VAL 812 Ca 0.58 1.15 -0.17 0.00 0.00 0.00 0.00 61.98 63.54 2waq s VAL 812 Cb -0.32 -3.74 -0.14 0.00 0.00 0.00 0.00 36.38 32.18 2waq s VAL 812 CO 0.32 0.01 -0.17 0.18 0.00 0.00 0.00 175.10 175.44 2waq n LEU 813 N 5.18 1.93 -4.04 3.92 4.77 -0.39 -4.62 117.00 123.74 2waq n LEU 813 Ca 0.13 0.37 -0.32 0.00 -0.03 0.00 0.00 56.01 56.16 2waq n LEU 813 Cb 0.44 -0.87 -0.15 0.00 -2.33 0.00 0.00 43.42 40.51 2waq n LEU 813 CO 0.58 0.47 -0.40 -0.63 -1.33 0.00 0.00 177.39 176.08 2waq s ILE 814 N -2.46 2.20 0.39 -0.08 1.01 -1.11 -2.27 121.20 118.87 2waq s ILE 814 Ca -0.36 -1.93 -0.26 0.00 0.00 0.00 0.00 60.65 58.10 2waq s ILE 814 Cb 0.12 -2.44 -0.09 0.00 0.01 0.00 0.00 42.46 40.06 2waq s ILE 814 CO 0.52 -0.28 1.24 -0.83 0.00 0.00 0.00 174.94 175.60 2waq s GLY 815 N 1.02 2.91 -0.24 6.18 0.00 -0.09 -0.51 107.32 116.60 2waq s GLY 815 Ca -0.00 1.11 -0.26 0.00 0.00 0.00 0.00 44.72 45.57 2waq s GLY 815 CO -0.06 1.67 0.82 1.25 0.00 0.00 0.00 173.10 176.78 2waq s LYS 816 N -2.20 0.75 0.11 2.90 2.20 -1.01 -3.30 119.74 119.19 2waq s LYS 816 Ca 0.56 0.75 0.10 0.00 -0.36 0.00 0.00 55.97 57.01 2waq s LYS 816 Cb -0.35 0.36 -0.04 0.00 -1.51 0.00 0.00 37.83 36.30 2waq s LYS 816 CO 0.45 -0.12 -0.25 0.08 -0.36 0.00 0.00 175.35 175.14 2waq s VAL 817 N 0.07 2.09 0.12 4.02 1.01 -1.15 -3.92 120.40 122.63 2waq s VAL 817 Ca -0.00 -1.63 0.04 0.00 0.00 0.00 0.00 61.98 60.39 2waq s VAL 817 Cb -0.04 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2waq s VAL 817 CO -0.00 0.10 -0.11 -0.44 0.00 0.00 0.00 175.10 174.66 2waq s SER 818 N -1.86 1.64 0.40 3.32 0.01 -1.26 -3.90 113.70 112.05 2waq s SER 818 Ca 0.12 -0.87 -0.25 0.00 1.31 0.00 0.00 55.95 56.25 2waq s SER 818 Cb -0.10 -0.01 -0.08 0.00 0.21 0.00 0.00 66.02 66.04 2waq s SER 818 CO 0.05 -0.27 1.19 -2.84 0.41 0.00 0.00 173.24 171.78 2waq s PRO 819 N -3.07 4.06 0.00 12.44 0.02 -1.26 -0.40 135.00 146.80 2waq s PRO 819 Ca 0.09 1.88 0.00 0.00 0.02 0.00 0.00 61.00 63.00 2waq s PRO 819 Cb -0.01 -2.70 0.00 0.00 0.02 0.00 0.00 34.50 31.80 2waq s PRO 819 CO 0.01 -0.32 0.00 -0.35 -0.33 0.00 0.00 177.00 176.00 2waq n PRO 820 N 0.12 0.00 0.00 5.54 -0.04 -1.26 -4.49 135.00 134.87 2waq n PRO 820 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2waq n PRO 820 Cb 0.46 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 2waq n PRO 820 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2waq n ALA 834 N -3.00 0.00 -0.71 0.55 0.00 -1.26 -4.99 120.51 111.11 2waq n ALA 834 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2waq n ALA 834 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2waq n ALA 834 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2waq n LYS 835 N 0.00 -1.82 0.00 0.00 5.02 -1.26 -2.43 118.16 117.67 2waq n LYS 835 Ca 0.00 1.43 0.00 0.00 -2.02 0.00 0.00 58.31 57.72 2waq n LYS 835 Cb 0.00 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.20 2waq n LYS 835 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2waq n ARG 836 N -2.16 1.82 0.00 1.97 1.74 0.47 -3.20 116.66 117.29 2waq n ARG 836 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 2waq n ARG 836 Cb 0.23 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.67 2waq n ARG 836 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2waq n ASP 837 N 0.00 0.00 -4.05 0.55 2.03 -1.26 -4.03 116.55 109.79 2waq n ASP 837 Ca 0.00 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.04 2waq n ASP 837 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 2waq n ASP 837 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2waq n THR 838 N -0.34 -2.48 -1.76 5.18 -1.04 -1.26 -4.07 114.28 108.50 2waq n THR 838 Ca 0.00 -0.49 -0.31 0.00 -2.04 0.00 0.00 64.05 61.22 2waq n THR 838 Cb 0.00 -2.20 0.04 0.00 -1.82 0.00 0.00 70.33 66.35 2waq n THR 838 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2waq s SER 839 N -4.36 5.52 0.13 8.00 1.04 -1.25 -4.91 113.70 117.88 2waq s SER 839 Ca 0.02 1.35 -0.30 0.00 0.48 0.00 0.00 55.95 57.49 2waq s SER 839 Cb -0.01 -2.23 -0.07 0.00 0.10 0.00 0.00 66.02 63.81 2waq s SER 839 CO 0.92 -1.32 1.16 -0.63 0.98 0.00 0.00 173.24 174.35 2waq s ILE 840 N -3.21 3.87 0.03 -1.02 1.09 0.34 -4.94 121.20 117.36 2waq s ILE 840 Ca 0.58 1.49 0.02 0.00 -1.10 0.00 0.00 60.65 61.64 2waq s ILE 840 Cb -0.12 -3.95 -0.02 0.00 -1.06 0.00 0.00 42.46 37.31 2waq s ILE 840 CO 0.53 0.20 -0.07 -0.69 -0.10 0.00 0.00 174.94 174.81 2waq s VAL 841 N 0.30 0.49 0.43 2.92 1.01 -1.26 -1.26 120.40 123.03 2waq s VAL 841 Ca 0.54 -0.82 -0.25 0.00 0.00 0.00 0.00 61.98 61.45 2waq s VAL 841 Cb -0.30 -0.52 -0.08 0.00 0.00 0.00 0.00 36.38 35.47 2waq s VAL 841 CO 0.33 -0.23 1.34 -0.89 0.00 0.00 0.00 175.10 175.65 2waq s THR 842 N -1.00 2.43 0.50 3.92 2.01 -0.72 -4.89 115.64 117.88 2waq s THR 842 Ca -0.06 0.38 -0.23 0.00 0.31 0.00 0.00 61.69 62.08 2waq s THR 842 Cb -0.08 -3.22 -0.07 0.00 0.01 0.00 0.00 72.50 69.14 2waq s THR 842 CO 0.00 0.05 1.22 0.54 -0.69 0.00 0.00 174.62 175.74 2waq n ARG 843 N -0.06 1.61 -0.13 4.92 5.12 -1.26 -4.40 116.66 122.45 2waq n ARG 843 Ca 0.05 0.58 -0.04 0.00 -1.93 0.00 0.00 57.85 56.51 2waq n ARG 843 Cb 0.43 -2.38 0.04 0.00 -1.16 0.00 0.00 32.46 29.40 2waq n ARG 843 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2waq h HIS 844 N 1.52 0.10 -0.84 -1.55 -0.00 -1.82 -2.55 115.15 110.00 2waq h HIS 844 Ca -0.49 0.03 -0.49 0.00 -0.00 0.00 0.00 60.37 59.42 2waq h HIS 844 Cb 1.31 0.02 -0.27 0.00 -0.00 0.00 0.00 27.41 28.48 2waq h HIS 844 CO 0.45 -0.02 0.45 0.41 -0.00 0.00 0.00 177.93 179.22 2waq n GLY 845 N -1.27 5.09 3.29 5.26 0.00 -1.26 -4.52 105.19 111.77 2waq n GLY 845 Ca 0.04 -1.55 -0.24 0.00 0.00 0.00 0.00 46.02 44.27 2waq n GLY 845 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2waq s GLU 846 N -3.45 1.12 0.33 1.61 2.02 -0.96 -4.98 118.70 114.40 2waq s GLU 846 Ca 0.56 -1.17 0.07 0.00 0.02 0.00 0.00 54.97 54.45 2waq s GLU 846 Cb 0.47 -1.36 -0.03 0.00 0.10 0.00 0.00 34.13 33.31 2waq s GLU 846 CO 0.05 0.31 0.30 0.00 0.02 0.00 0.00 175.26 175.94 2waq n MET 847 N 1.03 0.43 0.00 1.61 0.00 -1.26 -3.08 117.12 115.86 2waq n MET 847 Ca -0.19 -3.31 0.00 0.00 0.00 0.00 0.00 57.70 54.20 2waq n MET 847 Cb 0.54 2.74 0.00 0.00 0.00 0.00 0.00 33.22 36.50 2waq n MET 847 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2waq n GLY 848 N -0.63 0.94 3.55 3.17 0.00 -0.45 -4.65 105.19 107.12 2waq n GLY 848 Ca 0.07 -2.10 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 2waq n GLY 848 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2waq s ILE 849 N -1.02 3.39 0.28 -0.61 1.01 0.15 -0.75 121.20 123.65 2waq s ILE 849 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 60.65 59.56 2waq s ILE 849 Cb 0.00 -2.43 -0.10 0.00 0.01 0.00 0.00 42.46 39.94 2waq s ILE 849 CO 0.00 0.45 1.46 -0.69 0.00 0.00 0.00 174.94 176.16 2waq s VAL 850 N -0.91 2.49 -0.07 2.92 1.01 -0.92 0.16 120.40 125.09 2waq s VAL 850 Ca 0.15 0.43 0.03 0.00 0.00 0.00 0.00 61.98 62.58 2waq s VAL 850 Cb -0.11 -3.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.94 2waq s VAL 850 CO 0.05 0.08 -0.03 -0.67 0.00 0.00 0.00 175.10 174.53 2waq n ASP 851 N 1.91 3.46 -3.68 3.32 4.64 -0.44 -3.92 116.55 121.85 2waq n ASP 851 Ca 0.06 -0.02 -0.09 0.00 -1.38 0.00 0.00 54.79 53.35 2waq n ASP 851 Cb 0.40 0.23 -0.10 0.00 -1.04 0.00 0.00 41.12 40.61 2waq n ASP 851 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 2waq s LEU 852 N -4.99 -0.38 -0.17 -2.67 2.96 -1.17 -4.96 118.68 107.30 2waq s LEU 852 Ca -0.07 1.00 -0.00 0.00 -0.22 0.00 0.00 54.13 54.84 2waq s LEU 852 Cb 0.02 1.47 0.00 0.00 0.50 0.00 0.00 46.19 48.19 2waq s LEU 852 CO 0.21 -0.21 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.19 2waq s VAL 853 N 1.86 2.57 -0.07 1.68 1.01 -1.26 -1.05 120.40 125.14 2waq s VAL 853 Ca -0.07 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.18 2waq s VAL 853 Cb -0.09 -2.10 -0.00 0.00 0.00 0.00 0.00 36.38 34.18 2waq s VAL 853 CO -0.14 0.51 -0.22 -0.22 0.00 0.00 0.00 175.10 175.03 2waq s LEU 854 N 1.10 2.01 -0.07 3.92 0.20 0.26 -4.99 118.68 121.11 2waq s LEU 854 Ca 0.00 -0.48 0.01 0.00 0.69 0.00 0.00 54.13 54.35 2waq s LEU 854 Cb -0.14 -1.26 0.02 0.00 -0.43 0.00 0.00 46.19 44.37 2waq s LEU 854 CO -0.05 0.18 -0.08 -0.63 -0.29 0.00 0.00 176.35 175.48 2waq s ILE 855 N 0.10 0.86 0.00 6.68 1.09 -1.26 -0.04 121.20 128.63 2waq s ILE 855 Ca -0.09 -0.28 0.00 0.00 -1.10 0.00 0.00 60.65 59.18 2waq s ILE 855 Cb -0.15 -0.84 0.00 0.00 -1.06 0.00 0.00 42.46 40.41 2waq s ILE 855 CO 0.05 0.31 0.00 0.41 -0.10 0.00 0.00 174.94 175.61 2waq n THR 856 N 4.19 0.00 -3.72 2.92 -1.04 0.09 -5.00 114.28 111.72 2waq n THR 856 Ca -0.21 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.67 2waq n THR 856 Cb 0.51 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.93 2waq n THR 856 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2waq s GLU 857 N 2.72 0.58 0.67 -2.82 2.02 -1.26 -2.51 118.70 118.09 2waq s GLU 857 Ca 0.00 0.47 -0.11 0.00 0.02 0.00 0.00 54.97 55.34 2waq s GLU 857 Cb 0.00 0.28 -0.01 0.00 0.10 0.00 0.00 34.13 34.49 2waq s GLU 857 CO 0.00 -0.10 1.06 0.95 0.02 0.00 0.00 175.26 177.20 2waq s THR 858 N -0.10 4.09 0.46 3.63 -4.23 -0.61 -4.87 115.64 114.01 2waq s THR 858 Ca -0.03 0.68 0.32 0.00 -1.18 0.00 0.00 61.69 61.48 2waq s THR 858 Cb -0.03 -3.65 0.52 0.00 1.34 0.00 0.00 72.50 70.67 2waq s THR 858 CO 0.02 -0.89 1.64 0.00 -0.54 0.00 0.00 174.62 174.86 2waq h ALA 859 N -0.51 2.88 0.07 3.99 0.00 -1.89 0.28 119.26 124.08 2waq h ALA 859 Ca -0.44 0.07 -0.25 0.00 0.00 0.00 0.00 54.91 54.29 2waq h ALA 859 Cb 1.22 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2waq h ALA 859 CO 0.63 -1.45 -1.11 0.93 0.00 0.00 0.00 179.25 178.24 2waq h GLU 860 N 0.10 0.31 0.00 0.00 5.08 -1.92 -3.31 114.58 114.83 2waq h GLU 860 Ca 0.80 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2waq h GLU 860 Cb 2.62 0.15 0.00 0.00 0.50 0.00 0.00 28.75 32.01 2waq h GLU 860 CO -0.32 1.16 0.00 0.41 -1.00 0.00 0.00 179.01 179.26 2waq n GLY 861 N 1.28 1.54 3.78 -3.84 0.00 0.97 -4.76 105.19 104.15 2waq n GLY 861 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 2waq n GLY 861 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2waq s ASN 862 N -1.54 7.04 -0.17 1.61 0.01 -1.26 -4.83 114.94 115.80 2waq s ASN 862 Ca 0.00 1.24 -0.29 0.00 -0.71 0.00 0.00 52.86 53.10 2waq s ASN 862 Cb 0.00 -2.38 -0.04 0.00 0.41 0.00 0.00 41.25 39.24 2waq s ASN 862 CO 0.00 0.16 1.79 -0.75 -1.51 0.00 0.00 177.10 176.79 2waq s LYS 863 N -0.53 3.74 -0.20 -0.60 2.20 -1.26 -1.58 119.74 121.51 2waq s LYS 863 Ca 0.31 1.92 -0.07 0.00 -0.36 0.00 0.00 55.97 57.77 2waq s LYS 863 Cb -0.19 -4.12 -0.04 0.00 -1.51 0.00 0.00 37.83 31.97 2waq s LYS 863 CO 0.19 -1.37 0.05 -1.17 -0.36 0.00 0.00 175.35 172.68 2waq s LEU 864 N 5.62 3.61 -0.20 5.43 2.96 -1.05 -1.75 118.68 133.30 2waq s LEU 864 Ca 0.80 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.68 2waq s LEU 864 Cb -0.30 -1.92 0.04 0.00 0.50 0.00 0.00 46.19 44.50 2waq s LEU 864 CO 0.33 0.11 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.63 2waq s VAL 865 N 0.76 1.87 -0.21 1.68 1.01 -0.98 -0.73 120.40 123.81 2waq s VAL 865 Ca 0.03 -1.05 -0.05 0.00 0.00 0.00 0.00 61.98 60.91 2waq s VAL 865 Cb -0.14 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 2waq s VAL 865 CO 0.02 0.30 -0.02 -0.54 0.00 0.00 0.00 175.10 174.86 2waq s LYS 866 N 1.32 3.52 -0.18 2.72 1.02 0.95 -2.11 119.74 126.97 2waq s LYS 866 Ca 0.00 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 55.44 2waq s LYS 866 Cb -0.15 -3.05 0.03 0.00 -0.52 0.00 0.00 37.83 34.13 2waq s LYS 866 CO -0.10 -0.07 -0.16 0.08 -0.92 0.00 0.00 175.35 174.18 2waq s VAL 867 N 1.19 1.86 -0.00 3.17 1.01 0.13 0.90 120.40 128.66 2waq s VAL 867 Ca 0.03 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.12 2waq s VAL 867 Cb -0.15 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 2waq s VAL 867 CO 0.00 0.41 -0.06 0.00 0.00 0.00 0.00 175.10 175.45 2waq s ARG 868 N 1.35 2.59 -0.09 2.72 1.70 -0.22 -0.24 118.95 126.77 2waq s ARG 868 Ca 0.03 -0.70 0.04 0.00 -0.47 0.00 0.00 55.73 54.64 2waq s ARG 868 Cb -0.14 -2.52 -0.00 0.00 -0.57 0.00 0.00 34.95 31.71 2waq s ARG 868 CO -0.11 0.61 -0.23 0.08 -1.08 0.00 0.00 175.30 174.57 2waq s VAL 869 N -0.98 1.98 0.12 4.99 1.01 0.01 -1.33 120.40 126.20 2waq s VAL 869 Ca 0.17 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.18 2waq s VAL 869 Cb -0.11 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 2waq s VAL 869 CO 0.07 0.55 0.22 0.00 0.00 0.00 0.00 175.10 175.94 2waq s ARG 870 N 0.23 3.31 -0.05 2.72 1.70 0.12 -1.65 118.95 125.34 2waq s ARG 870 Ca -0.14 -0.60 0.00 0.00 -0.47 0.00 0.00 55.73 54.51 2waq s ARG 870 Cb -0.17 -2.92 0.02 0.00 -0.57 0.00 0.00 34.95 31.32 2waq s ARG 870 CO 0.07 0.54 -0.03 0.34 -1.08 0.00 0.00 175.30 175.15 2waq s ASP 871 N -2.95 1.06 0.06 -2.89 2.15 -0.57 0.30 116.67 113.83 2waq s ASP 871 Ca 0.34 -0.11 -0.31 0.00 0.43 0.00 0.00 52.55 52.90 2waq s ASP 871 Cb -0.12 -0.43 -0.06 0.00 -0.30 0.00 0.00 42.92 42.01 2waq s ASP 871 CO 0.27 -0.09 1.27 -0.22 -0.17 0.00 0.00 175.17 176.23 2waq s LEU 872 N 1.18 4.36 -0.40 -1.34 0.20 -1.26 -1.93 118.68 119.49 2waq s LEU 872 Ca -0.07 2.10 0.01 0.00 0.69 0.00 0.00 54.13 56.86 2waq s LEU 872 Cb -0.14 -3.58 0.13 0.00 -0.43 0.00 0.00 46.19 42.17 2waq s LEU 872 CO -0.01 -0.56 0.20 -0.13 -0.29 0.00 0.00 176.35 175.56 2waq s ARG 873 N 1.28 1.04 -0.04 1.98 1.81 -0.60 -4.97 118.95 119.45 2waq s ARG 873 Ca 0.61 -1.69 -0.23 0.00 -1.72 0.00 0.00 55.73 52.70 2waq s ARG 873 Cb -0.31 -2.09 -0.04 0.00 -0.45 0.00 0.00 34.95 32.05 2waq s ARG 873 CO 0.29 -1.13 0.70 0.42 -0.68 0.00 0.00 175.30 174.90 2waq s ILE 874 N 0.75 4.98 0.05 1.52 1.09 -1.26 -1.95 121.20 126.38 2waq s ILE 874 Ca 0.16 1.46 -0.31 0.00 -1.10 0.00 0.00 60.65 60.86 2waq s ILE 874 Cb -0.23 -4.04 -0.08 0.00 -1.06 0.00 0.00 42.46 37.05 2waq s ILE 874 CO -0.05 0.29 1.61 -2.16 -0.10 0.00 0.00 174.94 174.53 2waq s PRO 875 N 0.56 4.21 0.18 2.79 0.04 -1.26 -4.99 135.00 136.53 2waq s PRO 875 Ca 0.37 2.26 -0.06 0.00 0.04 0.00 0.00 61.00 63.62 2waq s PRO 875 Cb -0.18 -3.62 -0.02 0.00 0.04 0.00 0.00 34.50 30.71 2waq s PRO 875 CO 0.19 -0.72 0.23 -1.54 0.04 0.00 0.00 177.00 175.20 2waq s SER 876 N 2.39 0.10 -0.54 6.66 1.04 -1.26 -5.04 113.70 117.06 2waq s SER 876 Ca 0.72 -1.11 -0.29 0.00 0.48 0.00 0.00 55.95 55.75 2waq s SER 876 Cb -0.38 0.42 -0.15 0.00 0.10 0.00 0.00 66.02 66.01 2waq s SER 876 CO 0.31 -0.89 1.79 -0.38 0.98 0.00 0.00 173.24 175.06 2waq n ILE 877 N -0.24 0.00 0.00 -1.02 -0.00 -1.26 -1.36 119.36 115.48 2waq n ILE 877 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.72 2waq n ILE 877 Cb 0.64 -0.38 0.00 0.00 -0.00 0.00 0.00 39.64 39.90 2waq n ILE 877 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2waq n GLY 878 N 5.32 1.83 3.58 7.39 0.00 -0.80 -4.96 105.19 117.55 2waq n GLY 878 Ca 0.45 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2waq n GLY 878 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2waq n ASP 879 N 0.00 -0.26 -4.42 1.61 9.92 -0.47 -4.47 116.55 118.47 2waq n ASP 879 Ca 0.00 0.48 -0.33 0.00 -0.53 0.00 0.00 54.79 54.41 2waq n ASP 879 Cb 0.00 -1.38 -0.13 0.00 -0.64 0.00 0.00 41.12 38.96 2waq n ASP 879 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2waq s LYS 880 N -3.93 3.50 0.10 -1.24 2.20 -1.21 -1.86 119.74 117.29 2waq s LYS 880 Ca 0.66 -0.62 0.04 0.00 -0.36 0.00 0.00 55.97 55.69 2waq s LYS 880 Cb -0.26 -2.74 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 2waq s LYS 880 CO 0.58 0.22 -0.10 -0.06 -0.36 0.00 0.00 175.35 175.63 2waq s PHE 881 N 0.36 1.08 -0.01 4.03 0.40 0.18 -0.87 117.98 123.14 2waq s PHE 881 Ca -0.08 -0.66 -0.08 0.00 -0.60 0.00 0.00 56.93 55.51 2waq s PHE 881 Cb -0.15 -0.59 0.01 0.00 0.51 0.00 0.00 43.02 42.80 2waq s PHE 881 CO 0.05 0.01 0.17 0.00 0.70 0.00 0.00 175.22 176.14 2waq s ALA 882 N -2.47 -0.40 0.68 5.36 0.00 -0.37 0.28 121.76 124.83 2waq s ALA 882 Ca 0.06 0.06 -0.07 0.00 0.00 0.00 0.00 51.96 52.00 2waq s ALA 882 Cb -0.03 0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.15 2waq s ALA 882 CO 0.00 -0.19 1.00 -1.54 0.00 0.00 0.00 175.76 175.03 2waq s SER 883 N -1.05 5.10 0.00 0.00 1.04 -1.15 -1.06 113.70 116.58 2waq s SER 883 Ca -0.11 0.64 0.00 0.00 0.48 0.00 0.00 55.95 56.96 2waq s SER 883 Cb -0.06 -1.40 0.00 0.00 0.10 0.00 0.00 66.02 64.66 2waq s SER 883 CO 0.02 -1.43 0.61 -1.14 0.98 0.00 0.00 173.24 172.28 2waq n ARG 884 N -2.86 0.71 -0.33 4.02 0.63 -1.25 -3.26 116.66 114.31 2waq n ARG 884 Ca 0.07 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 57.05 2waq n ARG 884 Cb 0.59 -1.11 0.07 0.00 0.45 0.00 0.00 32.46 32.47 2waq n ARG 884 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2waq n HIS 885 N -0.31 0.00 -2.79 -0.14 8.25 -1.26 -4.70 115.22 114.27 2waq n HIS 885 Ca 0.00 -0.53 -0.10 0.00 -0.26 0.00 0.00 57.72 56.83 2waq n HIS 885 Cb 0.05 -0.11 0.05 0.00 1.12 0.00 0.00 29.99 31.11 2waq n HIS 885 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2waq n GLY 886 N -0.70 -0.03 2.96 -1.41 0.00 -1.20 -4.50 105.19 100.31 2waq n GLY 886 Ca 0.08 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 2waq n GLY 886 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2waq n GLN 887 N -2.75 2.18 -1.71 1.61 -0.06 -1.26 -4.90 117.38 110.49 2waq n GLN 887 Ca -0.16 -4.50 -0.37 0.00 -2.00 0.00 0.00 57.00 49.98 2waq n GLN 887 Cb 0.59 -2.33 0.07 0.00 -4.06 0.00 0.00 30.24 24.51 2waq n GLN 887 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 2waq s LYS 888 N -1.51 2.50 -0.28 3.69 1.02 -1.26 -2.94 119.74 120.95 2waq s LYS 888 Ca 0.27 2.05 -0.18 0.00 0.02 0.00 0.00 55.97 58.13 2waq s LYS 888 Cb -0.04 -1.84 0.10 0.00 -0.52 0.00 0.00 37.83 35.53 2waq s LYS 888 CO -0.15 -1.64 0.80 0.20 -0.92 0.00 0.00 175.35 173.64 2waq s GLY 889 N -1.43 -0.42 -0.15 -3.33 0.00 0.14 -4.73 107.32 97.41 2waq s GLY 889 Ca 0.82 2.60 -0.12 0.00 0.00 0.00 0.00 44.72 48.02 2waq s GLY 889 CO 0.40 2.34 0.25 0.14 0.00 0.00 0.00 173.10 176.23 2waq s VAL 890 N 1.30 5.33 -0.31 1.40 1.01 -1.26 0.52 120.40 128.39 2waq s VAL 890 Ca -0.08 0.45 -0.28 0.00 0.00 0.00 0.00 61.98 62.08 2waq s VAL 890 Cb -0.05 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2waq s VAL 890 CO -0.15 0.46 2.15 -0.63 0.00 0.00 0.00 175.10 176.92 2waq s ILE 891 N 0.05 3.13 -0.07 2.22 1.01 -0.78 -0.69 121.20 126.07 2waq s ILE 891 Ca 0.15 0.12 -0.26 0.00 0.00 0.00 0.00 60.65 60.66 2waq s ILE 891 Cb -0.13 -3.20 -0.23 0.00 0.01 0.00 0.00 42.46 38.91 2waq s ILE 891 CO 0.04 -0.14 1.02 1.23 0.00 0.00 0.00 174.94 177.08 2waq h GLY 892 N 15.69 0.09 -4.12 6.18 0.00 0.13 -2.14 103.07 118.90 2waq h GLY 892 Ca -0.36 -0.15 -0.12 0.00 0.00 0.00 0.00 47.33 46.70 2waq h GLY 892 CO 1.03 0.13 -0.48 -0.29 0.00 0.00 0.00 176.54 176.93 2waq s MET 893 N -3.17 0.60 -0.43 4.80 -2.45 -1.25 -4.88 119.30 112.52 2waq s MET 893 Ca -0.17 -0.66 -0.02 0.00 -1.25 0.00 0.00 55.69 53.60 2waq s MET 893 Cb -0.00 0.24 0.12 0.00 1.25 0.00 0.00 34.83 36.44 2waq s MET 893 CO 0.71 -0.16 0.22 -1.17 1.05 0.00 0.00 175.02 175.67 2waq s LEU 894 N -1.99 5.19 -0.24 4.11 2.96 -1.26 -2.20 118.68 125.24 2waq s LEU 894 Ca -0.07 -2.17 -0.11 0.00 -0.22 0.00 0.00 54.13 51.56 2waq s LEU 894 Cb -0.02 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 2waq s LEU 894 CO -0.03 -0.50 0.20 -0.63 -1.32 0.00 0.00 176.35 174.07 2waq s ILE 895 N 0.93 5.32 0.82 6.68 1.01 -0.95 -4.56 121.20 130.45 2waq s ILE 895 Ca 0.10 0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.88 2waq s ILE 895 Cb -0.22 -3.54 0.08 0.00 0.01 0.00 0.00 42.46 38.79 2waq s ILE 895 CO -0.04 0.31 1.14 -2.65 0.00 0.00 0.00 174.94 173.70 2waq n PRO 896 N 4.51 0.09 -0.29 2.79 -0.02 -1.26 -1.31 135.00 139.51 2waq n PRO 896 Ca -0.14 0.11 0.04 0.00 -2.02 0.00 0.00 63.50 61.49 2waq n PRO 896 Cb 0.52 -2.39 0.18 0.00 -0.02 0.00 0.00 33.50 31.79 2waq n PRO 896 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2waq h GLN 897 N -1.03 0.70 -0.76 -0.52 4.15 -1.94 -2.21 115.11 113.50 2waq h GLN 897 Ca -0.46 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 58.86 2waq h GLN 897 Cb 1.30 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.80 2waq h GLN 897 CO 0.45 0.47 0.25 0.28 -1.93 0.00 0.00 178.83 178.34 2waq h VAL 898 N 0.73 1.26 0.00 2.39 2.07 -1.92 -2.41 116.25 118.37 2waq h VAL 898 Ca 0.41 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2waq h VAL 898 Cb 0.45 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2waq h VAL 898 CO -0.28 0.36 0.00 0.44 0.02 0.00 0.00 177.57 178.10 2waq h ASP 899 N 1.12 0.00 -3.68 0.57 3.45 -1.66 -3.32 116.42 112.90 2waq h ASP 899 Ca 0.25 0.00 -0.52 0.00 0.43 0.00 0.00 57.03 57.19 2waq h ASP 899 Cb 0.29 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 39.09 2waq h ASP 899 CO -0.01 0.00 0.56 -0.04 -1.57 0.00 0.00 179.24 178.18 2waq s MET 900 N -3.35 4.50 0.12 3.56 -1.94 -0.91 -4.33 119.30 116.95 2waq s MET 900 Ca 0.05 1.95 -0.31 0.00 -1.71 0.00 0.00 55.69 55.67 2waq s MET 900 Cb 0.09 -3.18 -0.10 0.00 2.01 0.00 0.00 34.83 33.66 2waq s MET 900 CO 0.49 -0.02 1.71 -1.25 -0.01 0.00 0.00 175.02 175.95 2waq s PRO 901 N -1.03 4.17 0.21 2.03 0.04 -1.26 -3.31 135.00 135.84 2waq s PRO 901 Ca 0.49 2.47 0.09 0.00 0.04 0.00 0.00 61.00 64.09 2waq s PRO 901 Cb -0.35 -3.46 -0.04 0.00 0.04 0.00 0.00 34.50 30.70 2waq s PRO 901 CO 0.42 -0.76 -0.03 1.52 0.04 0.00 0.00 177.00 178.19 2waq s TYR 902 N 2.24 2.72 0.54 0.56 1.13 0.60 -4.39 117.35 120.75 2waq s TYR 902 Ca 0.76 -0.20 -0.02 0.00 -1.41 0.00 0.00 57.07 56.21 2waq s TYR 902 Cb -0.44 -1.28 0.02 0.00 -1.10 0.00 0.00 41.96 39.16 2waq s TYR 902 CO 0.34 0.56 0.79 0.99 -2.51 0.00 0.00 175.55 175.71 2waq s THR 903 N -1.95 3.37 0.14 -3.49 2.01 -0.95 -0.41 115.64 114.35 2waq s THR 903 Ca 0.28 -0.39 -0.24 0.00 0.31 0.00 0.00 61.69 61.64 2waq s THR 903 Cb -0.08 -3.29 -0.00 0.00 0.01 0.00 0.00 72.50 69.13 2waq s THR 903 CO 0.18 -0.24 1.62 0.58 -0.69 0.00 0.00 174.62 176.07 2waq h VAL 904 N 0.06 0.34 -2.96 3.82 2.07 -1.91 -3.21 116.25 114.46 2waq h VAL 904 Ca -0.45 0.00 -0.74 0.00 0.82 0.00 0.00 66.70 66.34 2waq h VAL 904 Cb 1.27 0.34 -0.33 0.00 -1.52 0.00 0.00 31.29 31.05 2waq h VAL 904 CO 0.57 0.00 0.21 2.29 0.02 0.00 0.00 177.57 180.66 2waq n LYS 905 N -5.39 3.44 0.00 1.57 0.00 -1.26 -5.03 118.16 111.49 2waq n LYS 905 Ca -0.02 -4.55 0.00 0.00 -0.00 0.00 0.00 58.31 53.74 2waq n LYS 905 Cb 0.31 -2.44 0.00 0.00 -0.00 0.00 0.00 35.03 32.90 2waq n LYS 905 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2waq n GLY 906 N 1.67 1.31 2.71 2.58 0.00 -1.21 -5.02 105.19 107.23 2waq n GLY 906 Ca 0.25 -0.69 -0.00 0.00 0.00 0.00 0.00 46.02 45.58 2waq n GLY 906 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2waq n VAL 907 N 0.00-12.07 -3.44 1.61 0.31 -1.26 -2.23 118.33 101.25 2waq n VAL 907 Ca 0.00 1.86 -0.25 0.00 -0.01 0.00 0.00 64.34 65.94 2waq n VAL 907 Cb 0.00 -6.94 -0.02 0.00 -0.91 0.00 0.00 33.84 25.97 2waq n VAL 907 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2waq s VAL 908 N -1.63 5.11 0.43 2.52 -7.23 -1.26 -2.57 120.40 115.77 2waq s VAL 908 Ca 0.00 -0.42 -0.13 0.00 -1.81 0.00 0.00 61.98 59.62 2waq s VAL 908 Cb -0.00 -3.83 -0.07 0.00 0.56 0.00 0.00 36.38 33.03 2waq s VAL 908 CO 0.79 -0.48 0.83 -2.16 -0.31 0.00 0.00 175.10 173.77 2waq s PRO 909 N -4.10 3.86 -0.25 4.82 0.05 -1.26 -4.92 135.00 133.20 2waq s PRO 909 Ca 0.40 0.65 -0.12 0.00 0.05 0.00 0.00 61.00 61.98 2waq s PRO 909 Cb -0.10 -2.32 -0.16 0.00 0.05 0.00 0.00 34.50 31.98 2waq s PRO 909 CO 0.34 -0.08 -0.15 -0.25 0.05 0.00 0.00 177.00 176.91 2waq n ASP 910 N -1.26 1.96 -4.40 6.66 8.00 -0.65 -4.47 116.55 122.38 2waq n ASP 910 Ca 0.04 0.25 -0.33 0.00 0.71 0.00 0.00 54.79 55.46 2waq n ASP 910 Cb 0.54 -0.78 -0.14 0.00 -0.02 0.00 0.00 41.12 40.72 2waq n ASP 910 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2waq s VAL 911 N -2.48 3.01 -0.30 2.53 1.01 -0.73 -1.85 120.40 121.58 2waq s VAL 911 Ca -0.35 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 60.96 2waq s VAL 911 Cb 0.11 -2.23 0.08 0.00 0.00 0.00 0.00 36.38 34.35 2waq s VAL 911 CO 0.56 0.55 -0.00 -0.63 0.00 0.00 0.00 175.10 175.57 2waq s ILE 912 N -0.04 1.99 0.91 2.22 1.09 -0.72 -1.62 121.20 125.03 2waq s ILE 912 Ca -0.03 -1.89 -0.15 0.00 -1.10 0.00 0.00 60.65 57.48 2waq s ILE 912 Cb -0.14 -2.34 0.16 0.00 -1.06 0.00 0.00 42.46 39.08 2waq s ILE 912 CO 0.04 -0.38 1.27 -0.22 -0.10 0.00 0.00 174.94 175.55 2waq s LEU 913 N 1.10 2.62 -0.18 2.97 0.20 -1.10 -3.34 118.68 120.95 2waq s LEU 913 Ca 0.03 0.46 -0.04 0.00 0.69 0.00 0.00 54.13 55.27 2waq s LEU 913 Cb -0.19 -2.66 -0.02 0.00 -0.43 0.00 0.00 46.19 42.89 2waq s LEU 913 CO -0.09 -2.45 -0.04 0.21 -0.29 0.00 0.00 176.35 173.70 2waq s ASN 914 N -4.77 4.60 0.58 3.68 3.84 -1.26 -3.28 114.94 118.33 2waq s ASN 914 Ca 0.70 -0.23 0.31 0.00 0.21 0.00 0.00 52.86 53.85 2waq s ASN 914 Cb -0.06 -1.76 1.35 0.00 -0.55 0.00 0.00 41.25 40.22 2waq s ASN 914 CO 0.52 0.10 1.68 1.55 -2.79 0.00 0.00 177.10 178.15 2waq h PRO 915 N 7.23 0.00 0.00 0.43 0.13 -1.83 0.67 132.00 138.64 2waq h PRO 915 Ca -0.34 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.64 2waq h PRO 915 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2waq h PRO 915 CO 0.61 0.00 -0.71 0.45 -0.23 0.00 0.00 178.00 178.11 2waq h HIS 916 N 0.00 0.00 -0.10 1.56 3.86 -1.94 -3.29 115.15 115.24 2waq h HIS 916 Ca 0.42 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.54 2waq h HIS 916 Cb 2.12 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 30.55 2waq h HIS 916 CO 0.00 0.71 -0.01 0.00 0.86 0.00 0.00 177.93 179.49 2waq n ALA 917 N -2.38 4.69 0.08 2.45 0.00 0.23 -4.09 120.51 121.48 2waq n ALA 917 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.77 2waq n ALA 917 Cb 0.71 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2waq n ALA 917 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2waq n LEU 918 N 1.52 -0.05 0.18 0.00 4.77 -1.24 -4.77 117.00 117.41 2waq n LEU 918 Ca 0.14 0.25 0.14 0.00 -0.03 0.00 0.00 56.01 56.51 2waq n LEU 918 Cb 0.59 0.20 0.45 0.00 -2.33 0.00 0.00 43.42 42.33 2waq n LEU 918 CO 0.08 -0.64 0.89 1.55 -1.33 0.00 0.00 177.39 177.94 2waq h PRO 919 N 0.00 0.00 0.18 3.23 0.13 -1.76 0.23 132.00 134.01 2waq h PRO 919 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.84 2waq h PRO 919 Cb 0.03 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.18 2waq h PRO 919 CO 0.00 0.00 -1.38 0.66 -0.23 0.00 0.00 178.00 177.05 2waq h SER 920 N 0.00 0.59 0.16 1.44 4.64 -1.91 -3.35 113.55 115.12 2waq h SER 920 Ca 0.00 -0.92 -0.25 0.00 -0.47 0.00 0.00 61.79 60.15 2waq h SER 920 Cb 0.63 -0.19 0.01 0.00 -0.31 0.00 0.00 62.40 62.55 2waq h SER 920 CO 0.00 1.64 -1.02 0.03 -0.87 0.00 0.00 176.83 176.60 2waq h ARG 921 N -0.10 0.57 -3.53 4.77 2.47 -1.85 -3.49 114.38 113.23 2waq h ARG 921 Ca -0.26 -0.63 -0.15 0.00 -1.26 0.00 0.00 59.98 57.68 2waq h ARG 921 Cb 1.93 0.18 0.07 0.00 -1.65 0.00 0.00 29.97 30.50 2waq h ARG 921 CO 0.17 1.24 -0.33 -1.33 0.56 0.00 0.00 179.97 180.27 2waq n MET 922 N -3.80 -3.05 -3.02 0.04 2.81 0.79 -4.59 117.12 106.31 2waq n MET 922 Ca -0.09 0.37 -0.44 0.00 -1.81 0.00 0.00 57.70 55.73 2waq n MET 922 Cb 0.87 -3.99 0.00 0.00 -0.71 0.00 0.00 33.22 29.39 2waq n MET 922 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2waq n THR 923 N -2.61 4.58 -0.26 2.03 -2.24 -1.23 -3.36 114.28 111.19 2waq n THR 923 Ca -0.10 -5.15 0.04 0.00 -2.27 0.00 0.00 64.05 56.57 2waq n THR 923 Cb 0.57 -2.43 0.27 0.00 -2.10 0.00 0.00 70.33 66.64 2waq n THR 923 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2waq h LEU 924 N 7.55 0.83 -1.97 3.22 -0.00 -1.88 -2.49 115.31 120.56 2waq h LEU 924 Ca 0.26 0.00 0.11 0.00 -0.00 0.00 0.00 57.88 58.25 2waq h LEU 924 Cb 0.79 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.26 2waq h LEU 924 CO 1.23 0.54 0.28 1.23 -0.00 0.00 0.00 178.44 181.72 2waq h GLY 925 N 0.95 0.05 0.88 0.83 0.00 -1.82 0.74 103.07 104.69 2waq h GLY 925 Ca 0.36 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.65 2waq h GLY 925 CO -0.12 0.01 0.06 -1.61 0.00 0.00 0.00 176.54 174.88 2waq h GLN 926 N 0.03 0.40 -0.21 4.80 5.75 -1.81 -0.30 115.11 123.78 2waq h GLN 926 Ca 0.19 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 58.57 2waq h GLN 926 Cb 0.71 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.20 2waq h GLN 926 CO -0.01 0.50 0.05 0.82 -2.65 0.00 0.00 178.83 177.54 2waq h ILE 927 N 0.23 1.21 -0.92 2.39 1.08 -1.33 -3.05 117.51 117.11 2waq h ILE 927 Ca 0.08 -0.66 -0.00 0.00 -0.39 0.00 0.00 64.86 63.89 2waq h ILE 927 Cb 0.28 1.25 -0.04 0.00 -3.07 0.00 0.00 36.82 35.23 2waq h ILE 927 CO 0.00 0.21 0.57 0.24 -0.69 0.00 0.00 178.15 178.48 2waq h MET 928 N 0.15 1.23 -0.43 2.37 2.86 -0.85 -2.89 114.93 117.36 2waq h MET 928 Ca 0.06 -0.10 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 2waq h MET 928 Cb 0.27 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 2waq h MET 928 CO 0.00 0.85 -0.14 1.49 1.06 0.00 0.00 176.91 180.17 2waq h GLU 929 N 1.26 0.80 -0.67 1.72 4.81 -1.02 -1.84 114.58 119.64 2waq h GLU 929 Ca 0.33 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 2waq h GLU 929 Cb -0.09 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 2waq h GLU 929 CO -0.07 0.89 0.24 0.78 -0.73 0.00 0.00 179.01 180.13 2waq h GLY 930 N 0.97 1.09 1.08 1.92 0.00 -1.40 0.38 103.07 107.11 2waq h GLY 930 Ca 0.11 -0.62 -0.14 0.00 0.00 0.00 0.00 47.33 46.68 2waq h GLY 930 CO 0.04 0.58 -0.33 -2.22 0.00 0.00 0.00 176.54 174.61 2waq h ILE 931 N 0.96 1.28 -0.54 2.60 2.04 -1.45 0.38 117.51 122.77 2waq h ILE 931 Ca 0.22 -1.50 -0.11 0.00 1.00 0.00 0.00 64.86 64.47 2waq h ILE 931 Cb 0.25 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 2waq h ILE 931 CO -0.01 0.50 -0.10 0.00 0.00 0.00 0.00 178.15 178.54 2waq h ALA 932 N 0.76 0.79 0.00 1.87 0.00 -1.15 -1.91 119.26 119.63 2waq h ALA 932 Ca 0.06 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 2waq h ALA 932 Cb 0.92 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2waq h ALA 932 CO 0.08 0.67 -0.35 0.78 0.00 0.00 0.00 179.25 180.44 2waq h GLY 933 N 0.95 0.00 0.84 0.00 0.00 -0.14 0.83 103.07 105.54 2waq h GLY 933 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 2waq h GLY 933 CO 0.05 0.00 0.04 1.70 0.00 0.00 0.00 176.54 178.32 2waq h LYS 934 N 0.00 0.18 -0.77 4.80 1.63 -0.60 -1.54 116.57 120.26 2waq h LYS 934 Ca -0.00 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 2waq h LYS 934 Cb 0.63 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.20 2waq h LYS 934 CO 0.05 0.31 0.43 -0.92 -3.45 0.00 0.00 179.45 175.87 2waq h TYR 935 N 0.00 1.04 -1.01 1.91 3.20 -0.98 -2.31 116.97 118.82 2waq h TYR 935 Ca 0.04 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.91 2waq h TYR 935 Cb 0.21 -0.34 -0.05 0.00 1.54 0.00 0.00 36.73 38.09 2waq h TYR 935 CO -0.01 0.72 0.67 0.00 -1.64 0.00 0.00 178.16 177.90 2waq h ALA 936 N 1.23 1.31 -0.03 1.82 0.00 -0.73 0.01 119.26 122.86 2waq h ALA 936 Ca 0.27 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 2waq h ALA 936 Cb 0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 2waq h ALA 936 CO -0.05 0.61 -0.74 0.00 0.00 0.00 0.00 179.25 179.08 2waq h ALA 937 N 1.39 0.69 0.05 0.00 0.00 -1.03 -2.29 119.26 118.07 2waq h ALA 937 Ca 0.39 -0.63 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 2waq h ALA 937 Cb -0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2waq h ALA 937 CO -0.10 0.82 -0.70 -0.07 0.00 0.00 0.00 179.25 179.20 2waq h LEU 938 N 0.15 0.18 -0.00 0.00 3.38 -1.07 -3.38 115.31 114.56 2waq h LEU 938 Ca -0.02 -0.87 -0.22 0.00 0.09 0.00 0.00 57.88 56.86 2waq h LEU 938 Cb 1.30 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 2waq h LEU 938 CO 0.11 1.30 -1.03 0.77 0.09 0.00 0.00 178.44 179.69 2waq h SER 939 N -0.73 0.07 0.00 -0.43 4.64 -1.13 -3.48 113.55 112.49 2waq h SER 939 Ca -0.16 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2waq h SER 939 Cb 1.35 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2waq h SER 939 CO 0.00 1.04 0.00 0.61 -0.87 0.00 0.00 176.83 177.62 2waq n GLY 940 N 1.35 3.29 3.71 -0.77 0.00 -0.86 -5.05 105.19 106.86 2waq n GLY 940 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2waq n GLY 940 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2waq s ASN 941 N -1.06 7.16 0.12 1.61 0.02 -1.25 -4.96 114.94 116.58 2waq s ASN 941 Ca 0.00 1.89 -0.13 0.00 -1.02 0.00 0.00 52.86 53.60 2waq s ASN 941 Cb 0.00 -2.57 -0.07 0.00 0.02 0.00 0.00 41.25 38.62 2waq s ASN 941 CO 0.00 -0.41 1.44 0.16 0.02 0.00 0.00 177.10 178.30 2waq h ILE 942 N 4.63 1.29 -2.78 0.60 3.07 -1.95 -3.35 117.51 119.02 2waq h ILE 942 Ca -0.41 -1.53 0.00 0.00 1.55 0.00 0.00 64.86 64.47 2waq h ILE 942 Cb 1.21 1.52 0.00 0.00 -0.27 0.00 0.00 36.82 39.28 2waq h ILE 942 CO 0.80 0.50 -0.54 0.52 -1.05 0.00 0.00 178.15 178.38 2waq n VAL 943 N -4.16 -7.64 -2.94 0.16 0.31 -1.26 -2.13 118.33 100.66 2waq n VAL 943 Ca -0.03 1.87 -0.34 0.00 -0.01 0.00 0.00 64.34 65.82 2waq n VAL 943 Cb 0.52 -3.70 -0.06 0.00 -0.91 0.00 0.00 33.84 29.68 2waq n VAL 943 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 2waq s ASP 944 N -0.54 7.02 -0.21 4.52 -4.77 -1.26 -2.74 116.67 118.68 2waq s ASP 944 Ca 0.00 1.57 0.11 0.00 -3.30 0.00 0.00 52.55 50.93 2waq s ASP 944 Cb 0.00 -2.48 0.43 0.00 -1.09 0.00 0.00 42.92 39.77 2waq s ASP 944 CO 0.00 -0.18 1.21 0.00 0.70 0.00 0.00 175.17 176.91 2waq n ALA 945 N -0.03 3.75 -1.65 2.11 0.00 0.13 -4.78 120.51 120.04 2waq n ALA 945 Ca 0.03 -3.31 -0.43 0.00 0.00 0.00 0.00 53.44 49.72 2waq n ALA 945 Cb 0.52 -0.37 -0.03 0.00 0.00 0.00 0.00 19.45 19.57 2waq n ALA 945 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2waq n THR 946 N -0.99 0.69 -1.50 0.00 -1.04 -1.26 -2.17 114.28 108.02 2waq n THR 946 Ca 0.21 -0.18 -0.47 0.00 -2.04 0.00 0.00 64.05 61.57 2waq n THR 946 Cb 0.75 -2.28 -0.03 0.00 -1.82 0.00 0.00 70.33 66.95 2waq n THR 946 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2waq n PRO 947 N 7.58 0.66 -1.46 -2.82 -0.04 -1.26 -3.28 135.00 134.37 2waq n PRO 947 Ca 0.22 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 2waq n PRO 947 Cb 0.39 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 2waq n PRO 947 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2waq n PHE 948 N 0.37 -2.37 0.00 0.54 3.72 -1.26 -4.65 117.46 113.81 2waq n PHE 948 Ca 0.15 1.42 0.00 0.00 -0.05 0.00 0.00 57.45 58.96 2waq n PHE 948 Cb 0.27 -2.86 0.00 0.00 -0.94 0.00 0.00 39.48 35.95 2waq n PHE 948 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2waq n TYR 949 N 0.90 0.00 -0.08 1.38 4.19 -1.26 -4.90 117.16 117.39 2waq n TYR 949 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 2waq n TYR 949 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 2waq n TYR 949 CO 0.00 0.00 0.00 0.36 0.91 0.00 0.00 176.86 178.13 2waq n LYS 950 N 0.00 -0.33 -1.55 2.98 -0.00 -1.21 -3.84 118.16 114.21 2waq n LYS 950 Ca 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 58.31 58.32 2waq n LYS 950 Cb 0.00 -1.70 -0.00 0.00 -0.00 0.00 0.00 35.03 33.33 2waq n LYS 950 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2waq n THR 951 N 0.45 -6.26 -1.53 0.58 -1.04 -1.26 -4.66 114.28 100.56 2waq n THR 951 Ca 0.00 1.14 -0.48 0.00 -2.04 0.00 0.00 64.05 62.67 2waq n THR 951 Cb 0.01 -4.21 -0.03 0.00 -1.82 0.00 0.00 70.33 64.28 2waq n THR 951 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2waq n PRO 952 N 0.66 0.87 -0.27 -2.82 -0.02 -1.25 -4.89 135.00 127.27 2waq n PRO 952 Ca -0.02 0.31 0.03 0.00 -2.02 0.00 0.00 63.50 61.80 2waq n PRO 952 Cb 0.03 -1.64 0.25 0.00 -0.02 0.00 0.00 33.50 32.13 2waq n PRO 952 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 2waq h ILE 953 N 2.04 1.10 0.00 4.25 -2.65 -1.93 -2.20 117.51 118.13 2waq h ILE 953 Ca -0.39 -0.35 -0.03 0.00 1.03 0.00 0.00 64.86 65.13 2waq h ILE 953 Cb 1.37 0.00 -0.00 0.00 -2.05 0.00 0.00 36.82 36.14 2waq h ILE 953 CO 0.63 0.18 -0.15 1.05 0.03 0.00 0.00 178.15 179.90 2waq h GLU 954 N 1.01 0.00 -0.13 0.16 4.11 -1.96 0.49 114.58 118.26 2waq h GLU 954 Ca 0.35 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.70 2waq h GLU 954 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2waq h GLU 954 CO -0.12 0.15 -0.30 0.37 0.07 0.00 0.00 179.01 179.18 2waq h GLN 955 N 0.00 0.25 0.12 1.06 4.15 -1.75 -1.98 115.11 116.95 2waq h GLN 955 Ca -0.00 -0.09 -0.29 0.00 0.77 0.00 0.00 58.65 59.04 2waq h GLN 955 Cb 0.37 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 2waq h GLN 955 CO 0.02 0.54 -1.38 -0.07 -1.93 0.00 0.00 178.83 176.00 2waq h LEU 956 N 0.22 0.39 -1.91 -2.39 3.38 -1.26 -3.29 115.31 110.45 2waq h LEU 956 Ca 0.03 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2waq h LEU 956 Cb 0.65 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2waq h LEU 956 CO 0.05 1.39 0.00 1.56 0.09 0.00 0.00 178.44 181.53 2waq h GLN 957 N 0.07 0.00 0.02 1.13 4.20 0.24 -0.31 115.11 120.46 2waq h GLN 957 Ca -0.19 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.23 2waq h GLN 957 Cb 1.99 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.73 2waq h GLN 957 CO 0.18 0.00 -1.65 -0.91 -0.67 0.00 0.00 178.83 175.78 2waq h ASN 958 N 0.00 0.07 0.77 1.46 2.35 -1.49 -3.38 115.58 115.35 2waq h ASN 958 Ca 0.00 -0.14 -0.10 0.00 -0.55 0.00 0.00 56.30 55.51 2waq h ASN 958 Cb 0.20 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 2waq h ASN 958 CO 0.00 1.13 -0.47 -0.33 -1.65 0.00 0.00 177.43 176.11 2waq h GLU 959 N 0.01 0.00 0.00 0.81 4.39 -1.15 -3.18 114.58 115.46 2waq h GLU 959 Ca -0.27 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.32 2waq h GLU 959 Cb 1.99 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.62 2waq h GLU 959 CO 0.09 0.47 -0.55 -0.84 -1.16 0.00 0.00 179.01 177.02 2waq h ILE 960 N 0.00 1.35 -0.45 3.13 3.07 -1.52 -2.68 117.51 120.40 2waq h ILE 960 Ca -0.00 -1.93 -0.08 0.00 1.55 0.00 0.00 64.86 64.39 2waq h ILE 960 Cb 0.98 2.06 -0.02 0.00 -0.27 0.00 0.00 36.82 39.57 2waq h ILE 960 CO 0.06 0.54 -0.04 0.25 -1.05 0.00 0.00 178.15 177.92 2waq h LEU 961 N 0.00 0.74 -1.40 0.16 6.46 -1.52 -2.87 115.31 116.88 2waq h LEU 961 Ca -0.01 -0.19 -0.05 0.00 -0.12 0.00 0.00 57.88 57.52 2waq h LEU 961 Cb 1.01 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.73 2waq h LEU 961 CO 0.07 0.83 -0.09 0.11 -0.62 0.00 0.00 178.44 178.75 2waq h LYS 962 N 0.71 0.29 -0.09 1.25 1.57 -1.55 -2.04 116.57 116.71 2waq h LYS 962 Ca 0.13 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2waq h LYS 962 Cb 0.49 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2waq h LYS 962 CO 0.02 0.39 0.00 0.66 -0.57 0.00 0.00 179.45 179.96 2waq n TYR 963 N -4.29 0.12 -0.26 -1.35 4.02 -1.11 -4.90 117.16 109.39 2waq n TYR 963 Ca -0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 2waq n TYR 963 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 2waq n TYR 963 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2waq n GLY 964 N 0.85 0.85 3.37 2.72 0.00 -0.76 -5.08 105.19 107.15 2waq n GLY 964 Ca 0.11 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 2waq n GLY 964 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2waq s TYR 965 N -2.00 1.85 0.30 1.61 1.51 -1.10 -5.05 117.35 114.47 2waq s TYR 965 Ca 0.00 -0.51 -0.30 0.00 -1.01 0.00 0.00 57.07 55.25 2waq s TYR 965 Cb 0.00 -0.84 -0.12 0.00 -0.11 0.00 0.00 41.96 40.89 2waq s TYR 965 CO 0.00 0.44 1.58 1.28 -1.11 0.00 0.00 175.55 177.74 2waq n LEU 966 N -0.43 4.37 0.25 -1.29 4.77 -1.26 -3.08 117.00 120.32 2waq n LEU 966 Ca -0.07 1.16 0.17 0.00 -0.03 0.00 0.00 56.01 57.23 2waq n LEU 966 Cb 0.60 -1.59 0.71 0.00 -2.33 0.00 0.00 43.42 40.81 2waq n LEU 966 CO 0.35 0.13 0.99 1.55 -1.33 0.00 0.00 177.39 179.08 2waq h PRO 967 N 4.55 0.00 0.00 3.23 0.13 -1.86 -1.86 132.00 136.18 2waq h PRO 967 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2waq h PRO 967 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2waq h PRO 967 CO 0.77 0.00 0.00 0.22 -0.23 0.00 0.00 178.00 178.76 2waq h ASP 968 N 0.00 0.00 -2.16 1.44 -0.00 -1.90 -3.46 116.42 110.33 2waq h ASP 968 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.03 56.68 2waq h ASP 968 Cb 0.41 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 39.70 2waq h ASP 968 CO 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 179.24 178.81 2waq n ALA 969 N -1.99 -0.47 -3.67 -0.78 0.00 -0.70 -4.96 120.51 107.94 2waq n ALA 969 Ca 0.03 0.17 -0.27 0.00 0.00 0.00 0.00 53.44 53.37 2waq n ALA 969 Cb 0.38 -1.91 -0.10 0.00 0.00 0.00 0.00 19.45 17.81 2waq n ALA 969 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2waq n THR 970 N -3.69 1.64 -1.96 0.00 -2.24 -1.26 -1.51 114.28 105.27 2waq n THR 970 Ca -0.20 -4.88 -0.40 0.00 -2.27 0.00 0.00 64.05 56.30 2waq n THR 970 Cb 0.64 -2.12 0.00 0.00 -2.10 0.00 0.00 70.33 66.76 2waq n THR 970 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2waq s GLU 971 N -1.74 3.90 0.19 -0.78 2.02 -0.97 -4.30 118.70 117.02 2waq s GLU 971 Ca 0.31 2.27 -0.30 0.00 0.02 0.00 0.00 54.97 57.27 2waq s GLU 971 Cb 0.04 -2.75 -0.08 0.00 0.10 0.00 0.00 34.13 31.44 2waq s GLU 971 CO -0.11 -0.59 1.19 0.54 0.02 0.00 0.00 175.26 176.31 2waq s VAL 972 N -1.23 3.56 0.15 2.63 0.11 -1.26 -2.27 120.40 122.10 2waq s VAL 972 Ca 0.58 1.33 0.07 0.00 -2.93 0.00 0.00 61.98 61.02 2waq s VAL 972 Cb -0.40 -3.85 -0.04 0.00 -1.53 0.00 0.00 36.38 30.56 2waq s VAL 972 CO 0.52 0.22 -0.16 0.42 -3.33 0.00 0.00 175.10 172.78 2waq s THR 973 N -0.11 1.58 -0.02 5.04 -4.23 -1.26 -3.71 115.64 112.93 2waq s THR 973 Ca 0.52 -1.90 0.07 0.00 -1.18 0.00 0.00 61.69 59.21 2waq s THR 973 Cb -0.33 -1.76 -0.02 0.00 1.34 0.00 0.00 72.50 71.73 2waq s THR 973 CO 0.37 -0.43 -0.23 -0.31 -0.54 0.00 0.00 174.62 173.48 2waq s TYR 974 N -2.31 2.41 -0.51 3.99 1.51 0.45 -1.67 117.35 121.21 2waq s TYR 974 Ca 0.14 -0.38 -0.28 0.00 -1.01 0.00 0.00 57.07 55.54 2waq s TYR 974 Cb -0.04 -1.51 0.02 0.00 -0.11 0.00 0.00 41.96 40.32 2waq s TYR 974 CO 0.05 0.03 1.29 0.34 -1.11 0.00 0.00 175.55 176.15 2waq s ASP 975 N -0.73 6.37 0.00 2.29 3.68 0.42 -0.29 116.67 128.42 2waq s ASP 975 Ca 0.11 0.41 0.08 0.00 2.13 0.00 0.00 52.55 55.28 2waq s ASP 975 Cb -0.10 -2.55 0.34 0.00 -1.45 0.00 0.00 42.92 39.16 2waq s ASP 975 CO -0.00 -1.48 1.23 0.61 0.13 0.00 0.00 175.17 175.66 2waq n GLY 976 N 5.07 -0.73 0.09 2.66 0.00 -1.21 -0.07 105.19 111.00 2waq n GLY 976 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2waq n GLY 976 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2waq n ARG 977 N -1.47 0.63 -0.03 1.61 1.85 -1.25 -4.56 116.66 113.44 2waq n ARG 977 Ca 0.02 0.17 -0.04 0.00 -1.00 0.00 0.00 57.85 57.00 2waq n ARG 977 Cb 0.09 -1.76 -0.04 0.00 -1.05 0.00 0.00 32.46 29.69 2waq n ARG 977 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 2waq n THR 978 N -2.82 0.44 0.00 8.89 5.66 -0.85 -5.05 114.28 120.55 2waq n THR 978 Ca -0.11 -0.22 0.00 0.00 -3.05 0.00 0.00 64.05 60.66 2waq n THR 978 Cb 0.84 -0.81 0.00 0.00 -1.55 0.00 0.00 70.33 68.81 2waq n THR 978 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2waq n GLY 979 N 2.84 3.09 3.83 1.09 0.00 0.89 -5.07 105.19 111.87 2waq n GLY 979 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 2waq n GLY 979 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2waq s GLN 980 N -0.63 3.50 0.28 1.61 -2.07 -1.26 -4.71 119.66 116.38 2waq s GLN 980 Ca 0.00 1.01 -0.17 0.00 -1.82 0.00 0.00 55.36 54.39 2waq s GLN 980 Cb 0.00 -2.07 -0.09 0.00 -1.09 0.00 0.00 33.01 29.77 2waq s GLN 980 CO 0.00 -0.65 0.73 -1.59 -1.32 0.00 0.00 175.29 172.46 2waq s LYS 981 N -4.40 4.09 0.55 9.60 -2.85 -1.26 -0.44 119.74 125.03 2waq s LYS 981 Ca 0.60 0.74 -0.19 0.00 -1.00 0.00 0.00 55.97 56.11 2waq s LYS 981 Cb -0.13 -2.60 -0.06 0.00 -2.06 0.00 0.00 37.83 32.98 2waq s LYS 981 CO 0.41 0.25 1.13 0.96 0.10 0.00 0.00 175.35 178.20 2waq s ILE 982 N -1.81 3.14 -0.08 3.79 -5.25 -0.67 -4.83 121.20 115.50 2waq s ILE 982 Ca 0.50 0.71 0.23 0.00 -0.99 0.00 0.00 60.65 61.10 2waq s ILE 982 Cb -0.13 -3.29 0.25 0.00 2.95 0.00 0.00 42.46 42.25 2waq s ILE 982 CO 0.19 -0.15 1.71 0.50 -1.79 0.00 0.00 174.94 175.40 2waq h LYS 983 N 1.18 0.00 0.00 0.37 3.64 -1.97 -3.40 116.57 116.39 2waq h LYS 983 Ca -0.50 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 58.48 2waq h LYS 983 Cb 1.26 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.01 2waq h LYS 983 CO 0.57 0.19 -2.48 0.45 -2.27 0.00 0.00 179.45 175.91 2waq n SER 984 N -3.23 1.99 -0.04 4.20 2.88 -1.26 -5.12 113.62 113.04 2waq n SER 984 Ca 0.02 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 2waq n SER 984 Cb 0.50 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 2waq n SER 984 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2waq n ARG 985 N -3.39 0.00 -4.90 -1.46 1.74 -1.26 -5.07 116.66 102.32 2waq n ARG 985 Ca -0.47 0.04 -0.33 0.00 -0.77 0.00 0.00 57.85 56.33 2waq n ARG 985 Cb 0.97 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 32.26 2waq n ARG 985 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2waq s ILE 986 N -0.09 2.81 -0.20 0.55 -1.09 -0.96 -4.95 121.20 117.27 2waq s ILE 986 Ca 0.00 -0.76 -0.32 0.00 -2.23 0.00 0.00 60.65 57.35 2waq s ILE 986 Cb 0.00 -2.15 -0.09 0.00 -1.58 0.00 0.00 42.46 38.64 2waq s ILE 986 CO 0.00 0.54 2.11 0.00 -1.23 0.00 0.00 174.94 176.36 2waq n TYR 987 N 3.35 2.01 -4.23 3.97 4.19 -1.26 -2.29 117.16 122.90 2waq n TYR 987 Ca -0.18 -0.02 -0.34 0.00 3.31 0.00 0.00 57.90 60.67 2waq n TYR 987 Cb 0.53 -2.67 -0.15 0.00 0.49 0.00 0.00 39.34 37.54 2waq n TYR 987 CO 0.00 0.00 0.00 -0.06 0.91 0.00 0.00 176.86 177.71 2waq s PHE 988 N 6.72 2.83 0.32 2.98 0.40 -0.57 -2.13 117.98 128.53 2waq s PHE 988 Ca 1.00 -1.18 0.04 0.00 -0.60 0.00 0.00 56.93 56.20 2waq s PHE 988 Cb -0.57 -1.96 -0.02 0.00 0.51 0.00 0.00 43.02 40.98 2waq s PHE 988 CO 0.43 -0.59 0.30 0.20 0.70 0.00 0.00 175.22 176.27 2waq s GLY 989 N 1.14 2.05 -0.25 4.36 0.00 0.42 -4.67 107.32 110.37 2waq s GLY 989 Ca 0.01 -1.91 -0.00 0.00 0.00 0.00 0.00 44.72 42.81 2waq s GLY 989 CO -0.05 -1.36 -0.08 0.14 0.00 0.00 0.00 173.10 171.75 2waq s VAL 990 N -3.45 2.63 -0.09 1.40 1.01 -0.85 0.28 120.40 121.34 2waq s VAL 990 Ca 0.38 -1.17 0.02 0.00 0.00 0.00 0.00 61.98 61.21 2waq s VAL 990 Cb 0.02 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 34.05 2waq s VAL 990 CO 0.24 0.17 -0.15 -0.69 0.00 0.00 0.00 175.10 174.68 2waq s VAL 991 N 1.27 1.37 -0.19 2.92 1.01 0.07 -3.79 120.40 123.06 2waq s VAL 991 Ca -0.02 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 2waq s VAL 991 Cb -0.17 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 2waq s VAL 991 CO -0.05 0.41 1.78 -0.47 0.00 0.00 0.00 175.10 176.76 2waq s TYR 992 N 0.76 1.81 0.27 5.22 5.04 -1.26 -1.93 117.35 127.26 2waq s TYR 992 Ca -0.12 0.40 0.09 0.00 -2.44 0.00 0.00 57.07 55.00 2waq s TYR 992 Cb -0.16 -4.02 -0.04 0.00 0.35 0.00 0.00 41.96 38.09 2waq s TYR 992 CO 0.02 -3.51 0.04 0.71 -1.34 0.00 0.00 175.55 171.48 2waq s TYR 993 N 5.70 2.78 -0.02 4.97 2.02 -0.72 -3.90 117.35 128.18 2waq s TYR 993 Ca 0.79 -0.21 0.00 0.00 -0.37 0.00 0.00 57.07 57.28 2waq s TYR 993 Cb -0.29 -1.26 0.03 0.00 -0.40 0.00 0.00 41.96 40.04 2waq s TYR 993 CO 0.32 0.59 0.02 1.14 -1.57 0.00 0.00 175.55 176.05 2waq s GLN 994 N -3.72 -0.02 0.05 -0.62 -2.07 -0.22 -2.51 119.66 110.56 2waq s GLN 994 Ca 0.32 0.16 -0.28 0.00 -1.82 0.00 0.00 55.36 53.74 2waq s GLN 994 Cb -0.06 -0.23 -0.05 0.00 -1.09 0.00 0.00 33.01 31.58 2waq s GLN 994 CO 0.21 -0.14 0.87 0.21 -1.32 0.00 0.00 175.29 175.12 2waq s LYS 995 N 0.92 4.58 0.24 9.60 2.20 -1.26 -1.24 119.74 134.77 2waq s LYS 995 Ca -0.08 1.26 0.03 0.00 -0.36 0.00 0.00 55.97 56.81 2waq s LYS 995 Cb -0.11 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.78 2waq s LYS 995 CO -0.02 0.18 0.39 -0.51 -0.36 0.00 0.00 175.35 175.03 2waq s LEU 996 N 0.21 4.24 0.00 5.43 1.02 -0.05 -1.07 118.68 128.46 2waq s LEU 996 Ca 0.44 0.23 0.25 0.00 0.02 0.00 0.00 54.13 55.06 2waq s LEU 996 Cb -0.21 -3.02 1.25 0.00 0.02 0.00 0.00 46.19 44.22 2waq s LEU 996 CO 0.26 -0.09 1.82 0.00 0.02 0.00 0.00 176.35 178.36 2waq n HIS 997 N -1.19 0.00 -2.58 0.29 1.44 -1.03 -4.55 115.22 107.59 2waq n HIS 997 Ca -0.07 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.23 2waq n HIS 997 Cb 0.56 -0.28 -0.03 0.00 0.12 0.00 0.00 29.99 30.35 2waq n HIS 997 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2waq s HIS 998 N -2.56 2.42 0.07 -1.40 3.76 -1.26 -4.99 115.29 111.31 2waq s HIS 998 Ca 0.23 -0.40 0.04 0.00 -0.15 0.00 0.00 55.06 54.78 2waq s HIS 998 Cb 0.17 -4.63 -0.04 0.00 1.11 0.00 0.00 32.58 29.19 2waq s HIS 998 CO 0.37 -1.99 0.01 -1.64 -0.85 0.00 0.00 174.74 170.65 2waq s MET 999 N 5.28 2.66 0.35 1.40 1.00 -1.26 -3.36 119.30 125.37 2waq s MET 999 Ca 0.38 -0.76 0.09 0.00 0.00 0.00 0.00 55.69 55.40 2waq s MET 999 Cb -0.05 -2.60 0.64 0.00 0.00 0.00 0.00 34.83 32.81 2waq s MET 999 CO 0.05 0.56 1.81 -0.24 0.00 0.00 0.00 175.02 177.21 2waq h VAL 1000N 2.99 1.25 0.00 -6.03 3.04 -1.93 -1.56 116.25 114.01 2waq h VAL 1000Ca -0.48 -1.17 0.00 0.00 -1.01 0.00 0.00 66.70 64.05 2waq h VAL 1000Cb 1.17 1.48 0.00 0.00 -2.01 0.00 0.00 31.29 31.93 2waq h VAL 1000CO 0.60 0.35 0.00 0.00 -1.01 0.00 0.00 177.57 177.51 2waq n ALA 1001N -2.48 2.46 0.37 3.17 0.00 -1.26 -1.23 120.51 121.54 2waq n ALA 1001Ca -0.01 -0.15 0.10 0.00 0.00 0.00 0.00 53.44 53.38 2waq n ALA 1001Cb 0.38 -1.38 -0.14 0.00 0.00 0.00 0.00 19.45 18.30 2waq n ALA 1001CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2waq n ASP 1002N -0.95 0.57 -0.08 0.00 10.43 -0.59 -4.62 116.55 121.31 2waq n ASP 1002Ca 0.18 -0.38 -0.08 0.00 2.57 0.00 0.00 54.79 57.07 2waq n ASP 1002Cb 0.08 1.56 -0.11 0.00 1.84 0.00 0.00 41.12 44.49 2waq n ASP 1002CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2waq n LYS 1003N -1.91 1.37 -1.62 -1.24 4.76 -0.73 -5.00 118.16 113.79 2waq n LYS 1003Ca -0.01 0.01 -0.52 0.00 -2.87 0.00 0.00 58.31 54.93 2waq n LYS 1003Cb 0.44 -1.38 -0.06 0.00 -1.84 0.00 0.00 35.03 32.19 2waq n LYS 1003CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 2waq n ILE 1004N -2.64 0.07 -2.76 -0.18 3.06 -0.36 -4.92 119.36 111.63 2waq n ILE 1004Ca -0.26 -0.01 -0.05 0.00 -2.50 0.00 0.00 62.75 59.93 2waq n ILE 1004Cb 0.97 -1.02 0.02 0.00 0.54 0.00 0.00 39.64 40.15 2waq n ILE 1004CO 0.00 0.00 0.00 1.57 -2.50 0.00 0.00 176.55 175.62 2waq n HIS 1005N 3.21 -3.67 -2.83 9.51 -0.00 -1.26 -4.98 115.22 115.20 2waq n HIS 1005Ca 0.19 -1.44 -0.37 0.00 0.46 0.00 0.00 57.72 56.56 2waq n HIS 1005Cb 0.20 1.50 -0.06 0.00 -0.12 0.00 0.00 29.99 31.51 2waq n HIS 1005CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2waq s ALA 1006N 0.83 3.25 -0.27 1.57 0.00 -1.26 -5.03 121.76 120.84 2waq s ALA 1006Ca 0.30 0.47 -0.01 0.00 0.00 0.00 0.00 51.96 52.72 2waq s ALA 1006Cb 0.06 -3.13 0.13 0.00 0.00 0.00 0.00 23.12 20.18 2waq s ALA 1006CO -0.10 0.20 0.29 1.03 0.00 0.00 0.00 175.76 177.18 2waq s ARG 1007N -2.00 0.30 -0.18 0.00 0.52 -1.26 -4.88 118.95 111.45 2waq s ARG 1007Ca 0.49 -0.02 -0.16 0.00 -0.52 0.00 0.00 55.73 55.51 2waq s ARG 1007Cb -0.19 -0.73 -0.12 0.00 0.52 0.00 0.00 34.95 34.43 2waq s ARG 1007CO 0.24 -0.94 0.04 0.00 0.02 0.00 0.00 175.30 174.66 2waq n ALA 1008N 5.32 0.64 -3.64 2.13 0.00 -1.26 -4.81 120.51 118.89 2waq n ALA 1008Ca -0.03 -0.46 -0.10 0.00 0.00 0.00 0.00 53.44 52.86 2waq n ALA 1008Cb 0.47 -0.31 -0.07 0.00 0.00 0.00 0.00 19.45 19.54 2waq n ALA 1008CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2waq s ARG 1009N -2.31 0.75 0.12 0.00 3.52 -1.26 -5.04 118.95 114.74 2waq s ARG 1009Ca -0.23 1.12 -0.01 0.00 -0.13 0.00 0.00 55.73 56.48 2waq s ARG 1009Cb 0.04 0.24 0.01 0.00 -1.56 0.00 0.00 34.95 33.68 2waq s ARG 1009CO 0.43 -0.13 0.19 0.41 -0.81 0.00 0.00 175.30 175.39 2waq n GLY 1010N 3.65 2.62 3.73 8.12 0.00 -1.26 -4.79 105.19 117.26 2waq n GLY 1010Ca -0.18 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 2waq n GLY 1010CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2waq s PRO 1011N -2.24 4.41 0.12 1.61 0.04 -1.26 -4.90 135.00 132.77 2waq s PRO 1011Ca 0.09 1.96 0.03 0.00 0.04 0.00 0.00 61.00 63.13 2waq s PRO 1011Cb -0.01 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 2waq s PRO 1011CO 0.07 -0.25 0.17 0.14 0.04 0.00 0.00 177.00 177.16 2waq s VAL 1012N 0.47 4.84 0.23 -0.36 -7.23 -1.26 -4.06 120.40 113.03 2waq s VAL 1012Ca 0.58 -0.79 -0.32 0.00 -1.81 0.00 0.00 61.98 59.64 2waq s VAL 1012Cb -0.34 -3.42 -0.13 0.00 0.56 0.00 0.00 36.38 33.05 2waq s VAL 1012CO 0.34 0.00 1.49 0.00 -0.31 0.00 0.00 175.10 176.63 2waq n GLN 1013N -0.07 2.23 0.16 4.82 6.02 -0.96 -4.85 117.38 124.73 2waq n GLN 1013Ca -0.08 0.80 0.13 0.00 -0.01 0.00 0.00 57.00 57.84 2waq n GLN 1013Cb 0.53 -2.51 0.66 0.00 1.02 0.00 0.00 30.24 29.95 2waq n GLN 1013CO 0.00 0.00 0.00 -0.84 -1.01 0.00 0.00 177.06 175.21 2waq h ILE 1014N 3.26 0.89 0.00 5.09 3.07 -1.98 -0.29 117.51 127.56 2waq h ILE 1014Ca -0.45 0.00 -0.04 0.00 1.55 0.00 0.00 64.86 65.91 2waq h ILE 1014Cb 1.26 0.90 -0.01 0.00 -0.27 0.00 0.00 36.82 38.70 2waq h ILE 1014CO 0.80 0.00 -0.41 0.25 -1.05 0.00 0.00 178.15 177.74 2waq h LEU 1015N 0.00 0.00 0.00 0.16 7.12 -1.98 -3.39 115.31 117.22 2waq h LEU 1015Ca 0.09 -0.27 0.00 0.00 0.13 0.00 0.00 57.88 57.83 2waq h LEU 1015Cb 0.38 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 2waq h LEU 1015CO -0.00 0.86 -0.59 0.71 -0.13 0.00 0.00 178.44 179.29 2waq h THR 1016N -1.00 0.00 -6.55 1.05 1.35 -1.97 -3.48 112.91 102.31 2waq h THR 1016Ca -0.07 -0.59 -0.52 0.00 -0.55 0.00 0.00 66.41 64.69 2waq h THR 1016Cb 0.59 1.22 -0.12 0.00 -1.73 0.00 0.00 68.15 68.11 2waq h THR 1016CO -0.04 0.00 -0.83 0.54 -0.25 0.00 0.00 175.52 174.94 2waq n ARG 1017N -2.26 -3.88 -4.31 4.72 3.00 -0.12 -4.39 116.66 109.43 2waq n ARG 1017Ca 0.03 0.45 -0.23 0.00 -0.01 0.00 0.00 57.85 58.09 2waq n ARG 1017Cb 0.46 -5.07 -0.12 0.00 0.00 0.00 0.00 32.46 27.73 2waq n ARG 1017CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2waq s GLN 1018N -6.73 1.19 0.57 5.56 -0.21 -1.26 -4.44 119.66 114.34 2waq s GLN 1018Ca 0.52 -1.27 -0.18 0.00 0.02 0.00 0.00 55.36 54.45 2waq s GLN 1018Cb -0.28 -1.35 -0.11 0.00 1.00 0.00 0.00 33.01 32.27 2waq s GLN 1018CO 0.89 0.30 0.21 -2.30 -2.12 0.00 0.00 175.29 172.26 2waq n PRO 1019N 0.73 0.26 -3.00 2.91 -0.02 -1.26 -2.27 135.00 132.34 2waq n PRO 1019Ca -0.17 0.10 -0.24 0.00 -2.02 0.00 0.00 63.50 61.18 2waq n PRO 1019Cb 0.55 -1.39 0.01 0.00 -0.02 0.00 0.00 33.50 32.64 2waq n PRO 1019CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2waq s THR 1020N -1.86 4.28 0.16 3.45 -4.23 -1.26 -4.77 115.64 111.41 2waq s THR 1020Ca 0.62 -0.39 -0.02 0.00 -1.18 0.00 0.00 61.69 60.72 2waq s THR 1020Cb -0.45 -3.59 -0.05 0.00 1.34 0.00 0.00 72.50 69.75 2waq s THR 1020CO 0.61 -0.44 0.36 -0.70 -0.54 0.00 0.00 174.62 173.91 2waq s GLU 1021N -4.55 3.54 0.00 3.99 -6.30 -1.26 -3.45 118.70 110.67 2waq s GLU 1021Ca 0.47 -0.27 0.00 0.00 -2.50 0.00 0.00 54.97 52.66 2waq s GLU 1021Cb -0.10 -2.87 0.00 0.00 0.00 0.00 0.00 34.13 31.16 2waq s GLU 1021CO 0.39 0.45 0.00 0.41 0.02 0.00 0.00 175.26 176.53 2waq n GLY 1022N -0.28 -2.02 0.20 -1.50 0.00 -1.26 -4.45 105.19 95.88 2waq n GLY 1022Ca -0.04 -1.41 -0.07 0.00 0.00 0.00 0.00 46.02 44.50 2waq n GLY 1022CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2waq h ARG 1023N 0.00 0.44 -0.24 1.61 2.43 -1.95 -3.12 114.38 113.56 2waq h ARG 1023Ca 0.00 -0.25 0.07 0.00 -0.81 0.00 0.00 59.98 58.99 2waq h ARG 1023Cb 0.00 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2waq h ARG 1023CO 0.00 0.84 0.24 0.00 -1.51 0.00 0.00 179.97 179.54 2waq h ALA 1024N 1.12 1.93 -0.01 2.80 0.00 -2.00 -2.45 119.26 120.65 2waq h ALA 1024Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2waq h ALA 1024Cb 0.99 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2waq h ALA 1024CO 0.09 -0.37 0.00 0.54 0.00 0.00 0.00 179.25 179.51 2waq n ARG 1025N -3.89 -0.01 0.00 0.00 1.74 -1.21 -4.63 116.66 108.67 2waq n ARG 1025Ca 0.03 -0.91 0.00 0.00 -0.77 0.00 0.00 57.85 56.20 2waq n ARG 1025Cb 0.38 -1.12 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 2waq n ARG 1025CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2waq n GLU 1026N 0.35 0.00 0.00 5.56 0.00 -0.92 -4.73 120.64 120.90 2waq n GLU 1026Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.20 2waq n GLU 1026Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.61 2waq n GLU 1026CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2waq n GLY 1027N 0.00 2.33 3.61 -1.84 0.00 -1.26 -4.07 105.19 103.95 2waq n GLY 1027Ca 0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 46.02 45.30 2waq n GLY 1027CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2waq s GLY 1028N 0.00 -0.24 0.00 -0.02 0.00 -1.22 -4.09 107.32 101.74 2waq s GLY 1028Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 44.72 46.49 2waq s GLY 1028CO 0.00 0.61 0.00 1.04 0.00 0.00 0.00 173.10 174.75 2waq n LEU 1029N -0.01 0.00 -3.88 0.66 4.77 -1.26 -4.51 117.00 112.78 2waq n LEU 1029Ca 0.01 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.83 2waq n LEU 1029Cb 0.58 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.51 2waq n LEU 1029CO 0.09 -0.00 -0.39 -0.60 -1.33 0.00 0.00 177.39 175.16 2waq s ARG 1030N 0.00 0.39 -0.42 3.23 3.52 -1.26 -4.96 118.95 119.45 2waq s ARG 1030Ca 0.00 -0.04 0.02 0.00 -0.13 0.00 0.00 55.73 55.59 2waq s ARG 1030Cb 0.00 -0.46 0.11 0.00 -1.56 0.00 0.00 34.95 33.04 2waq s ARG 1030CO 0.00 -0.04 0.16 0.12 -0.81 0.00 0.00 175.30 174.73 2waq s PHE 1031N 0.57 3.56 0.50 5.12 5.36 -1.26 -5.10 117.98 126.73 2waq s PHE 1031Ca -0.06 -2.93 -0.06 0.00 -0.96 0.00 0.00 56.93 52.92 2waq s PHE 1031Cb -0.09 -2.98 0.11 0.00 -0.34 0.00 0.00 43.02 39.72 2waq s PHE 1031CO -0.01 -0.89 0.68 0.41 -1.46 0.00 0.00 175.22 173.95 2waq n GLY 1032N 3.96 -0.62 0.30 13.12 0.00 -1.26 -4.82 105.19 115.87 2waq n GLY 1032Ca 0.04 -1.80 -0.05 0.00 0.00 0.00 0.00 46.02 44.20 2waq n GLY 1032CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2waq h GLU 1033N 0.00 1.02 0.00 1.61 3.07 -1.99 -1.49 114.58 116.80 2waq h GLU 1033Ca -0.22 -0.10 -0.02 0.00 -0.50 0.00 0.00 59.36 58.52 2waq h GLU 1033Cb 0.67 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.37 2waq h GLU 1033CO 0.18 0.73 -0.09 0.52 -1.40 0.00 0.00 179.01 178.95 2waq h MET 1034N 1.02 0.00 0.22 2.33 2.86 -1.98 0.54 114.93 119.92 2waq h MET 1034Ca 0.27 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.60 2waq h MET 1034Cb -0.02 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.67 2waq h MET 1034CO -0.05 0.09 -1.36 0.93 1.06 0.00 0.00 176.91 177.58 2waq h GLU 1035N 0.00 0.46 0.00 1.72 3.07 -1.64 -2.98 114.58 115.20 2waq h GLU 1035Ca -0.00 -0.78 0.00 0.00 -0.50 0.00 0.00 59.36 58.08 2waq h GLU 1035Cb 0.29 0.29 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 2waq h GLU 1035CO 0.01 1.37 0.00 2.89 -1.40 0.00 0.00 179.01 181.88 2waq n ARG 1036N -3.81 0.09 0.03 2.33 1.85 -0.81 -2.12 116.66 114.22 2waq n ARG 1036Ca -0.18 0.18 -0.06 0.00 -1.00 0.00 0.00 57.85 56.79 2waq n ARG 1036Cb 1.03 -1.63 0.13 0.00 -1.05 0.00 0.00 32.46 30.94 2waq n ARG 1036CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2waq h ASP 1037N 0.00 0.49 -0.23 2.89 3.45 -0.86 -2.97 116.42 119.18 2waq h ASP 1037Ca 0.00 -0.22 -0.07 0.00 0.43 0.00 0.00 57.03 57.17 2waq h ASP 1037Cb 0.47 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.10 2waq h ASP 1037CO 0.00 0.86 -0.11 0.00 -1.57 0.00 0.00 179.24 178.42 2waq h LEU 1039N 0.21 0.00 -0.12 0.00 3.38 -1.60 -2.37 115.31 114.81 2waq h LEU 1039Ca 0.05 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.81 2waq h LEU 1039Cb 0.61 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.37 2waq h LEU 1039CO 0.03 0.20 -0.75 0.40 0.09 0.00 0.00 178.44 178.41 2waq h ILE 1040N 0.00 1.30 -0.81 1.22 2.04 -1.53 -2.89 117.51 116.84 2waq h ILE 1040Ca -0.00 -1.98 0.13 0.00 1.00 0.00 0.00 64.86 64.01 2waq h ILE 1040Cb 0.81 2.09 -0.09 0.00 -0.74 0.00 0.00 36.82 38.89 2waq h ILE 1040CO 0.03 0.62 0.42 1.23 0.00 0.00 0.00 178.15 180.44 2waq h GLY 1041N 0.42 1.29 2.00 5.37 0.00 -0.91 0.17 103.07 111.41 2waq h GLY 1041Ca -0.06 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2waq h GLY 1041CO 0.15 0.01 0.00 0.69 0.00 0.00 0.00 176.54 177.39 2waq n PHE 1042N -4.85 0.55 0.00 5.60 3.01 -1.03 -4.91 117.46 115.83 2waq n PHE 1042Ca 0.15 0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.79 2waq n PHE 1042Cb 0.37 -0.79 0.00 0.00 -0.01 0.00 0.00 39.48 39.05 2waq n PHE 1042CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2waq n GLY 1043N 0.90 2.10 3.55 1.37 0.00 0.60 -4.93 105.19 108.78 2waq n GLY 1043Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 2waq n GLY 1043CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2waq n THR 1044N -1.98 -0.03 0.01 2.61 5.66 -1.17 -4.84 114.28 114.53 2waq n THR 1044Ca 0.00 -0.71 -0.19 0.00 -3.05 0.00 0.00 64.05 60.09 2waq n THR 1044Cb 0.00 -2.63 -0.14 0.00 -1.55 0.00 0.00 70.33 66.01 2waq n THR 1044CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2waq h ALA 1045N 18.61 0.01 -0.37 1.79 0.00 -1.92 -3.26 119.26 134.11 2waq h ALA 1045Ca -0.25 -0.78 -0.11 0.00 0.00 0.00 0.00 54.91 53.77 2waq h ALA 1045Cb 1.27 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 2waq h ALA 1045CO 1.15 0.43 -0.23 0.52 0.00 0.00 0.00 179.25 181.12 2waq h MET 1046N -0.50 0.73 -0.65 0.00 2.86 -1.99 -2.87 114.93 112.51 2waq h MET 1046Ca -0.17 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.18 2waq h MET 1046Cb 1.54 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 33.13 2waq h MET 1046CO 0.08 0.90 0.40 1.25 1.06 0.00 0.00 176.91 180.60 2waq h LEU 1047N 0.64 0.77 0.20 1.22 5.85 -1.98 -2.01 115.31 120.00 2waq h LEU 1047Ca 0.09 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.77 2waq h LEU 1047Cb 0.73 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 2waq h LEU 1047CO 0.06 0.60 -0.26 0.25 -0.34 0.00 0.00 178.44 178.74 2waq h LEU 1048N 0.88 -0.72 -0.45 2.25 6.46 -1.57 -1.53 115.31 120.62 2waq h LEU 1048Ca 0.23 0.07 0.06 0.00 -0.12 0.00 0.00 57.88 58.12 2waq h LEU 1048Cb -0.04 0.26 -0.05 0.00 -0.73 0.00 0.00 40.66 40.09 2waq h LEU 1048CO -0.05 -0.37 0.17 0.50 -0.62 0.00 0.00 178.44 178.07 2waq h LYS 1049N -0.52 0.34 0.00 1.25 3.64 -1.37 -0.33 116.57 119.58 2waq h LYS 1049Ca 0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2waq h LYS 1049Cb 0.51 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2waq h LYS 1049CO -0.10 0.22 0.00 -3.47 -2.27 0.00 0.00 179.45 173.84 2waq n ASP 1050N -4.99 0.59 -0.00 4.20 -0.08 -0.77 -0.50 116.55 115.00 2waq n ASP 1050Ca 0.04 0.65 0.09 0.00 -1.51 0.00 0.00 54.79 54.05 2waq n ASP 1050Cb 0.17 -0.77 -0.12 0.00 2.34 0.00 0.00 41.12 42.74 2waq n ASP 1050CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2waq n ARG 1051N -2.16 0.92 -0.74 -0.67 3.00 -0.59 -3.81 116.66 112.60 2waq n ARG 1051Ca 0.02 -0.06 0.01 0.00 -0.00 0.00 0.00 57.85 57.82 2waq n ARG 1051Cb 0.22 -1.37 0.01 0.00 0.00 0.00 0.00 32.46 31.31 2waq n ARG 1051CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2waq n LEU 1052N -1.69 0.31 0.14 6.15 7.94 -0.22 -4.81 117.00 124.81 2waq n LEU 1052Ca 0.01 -1.30 0.00 0.00 -1.11 0.00 0.00 56.01 53.60 2waq n LEU 1052Cb 0.35 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.29 2waq n LEU 1052CO 0.37 0.33 0.00 -0.11 -1.11 0.00 0.00 177.39 176.87 2waq n LEU 1053N 0.09 -2.32 0.00 -1.96 0.00 0.34 -4.92 117.00 108.23 2waq n LEU 1053Ca 0.02 0.53 0.08 0.00 0.00 0.00 0.00 56.01 56.64 2waq n LEU 1053Cb 0.81 2.34 0.45 0.00 0.00 0.00 0.00 43.42 47.02 2waq n LEU 1053CO -0.01 -0.08 0.73 0.47 0.00 0.00 0.00 177.39 178.49 2waq n ASP 1054N -3.08 0.00 -2.83 1.96 10.43 -0.91 -3.00 116.55 119.12 2waq n ASP 1054Ca 0.00 -0.15 -0.00 0.00 2.57 0.00 0.00 54.79 57.20 2waq n ASP 1054Cb 0.00 -0.19 0.05 0.00 1.84 0.00 0.00 41.12 42.82 2waq n ASP 1054CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 2waq n ASN 1055N -1.19 1.58 0.09 -2.24 3.02 -1.25 -4.92 115.26 110.36 2waq n ASN 1055Ca 0.10 -2.05 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 2waq n ASN 1055Cb 0.11 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 2waq n ASN 1055CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2waq n SER 1056N -0.58 -0.39 -2.70 6.41 7.64 -1.16 -4.90 113.62 117.93 2waq n SER 1056Ca 0.07 0.32 -0.07 0.00 1.01 0.00 0.00 58.87 60.20 2waq n SER 1056Cb 0.80 0.52 0.11 0.00 -1.01 0.00 0.00 64.21 64.63 2waq n SER 1056CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2waq n ASP 1057N -3.08 -1.59 -4.69 6.43 3.85 -1.24 -4.55 116.55 111.69 2waq n ASP 1057Ca 0.00 -2.60 -0.42 0.00 -0.71 0.00 0.00 54.79 51.06 2waq n ASP 1057Cb 0.00 0.93 -0.03 0.00 -1.35 0.00 0.00 41.12 40.67 2waq n ASP 1057CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2waq n ARG 1058N -0.45 2.80 -3.97 0.11 1.74 -1.24 -0.99 116.66 114.66 2waq n ARG 1058Ca -0.01 1.02 -0.08 0.00 -0.77 0.00 0.00 57.85 58.01 2waq n ARG 1058Cb 0.83 -2.93 -0.09 0.00 -1.02 0.00 0.00 32.46 29.26 2waq n ARG 1058CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2waq s THR 1059N 3.04 0.18 -0.15 0.55 2.01 -0.62 -4.88 115.64 115.78 2waq s THR 1059Ca 0.83 -1.45 -0.06 0.00 0.31 0.00 0.00 61.69 61.32 2waq s THR 1059Cb -0.48 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 2waq s THR 1059CO 0.38 -0.80 0.06 0.42 -0.69 0.00 0.00 174.62 173.99 2waq s THR 1060N -3.80 4.79 -0.22 -0.82 -4.23 -1.26 -1.16 115.64 108.94 2waq s THR 1060Ca 0.05 -0.05 0.02 0.00 -1.18 0.00 0.00 61.69 60.53 2waq s THR 1060Cb 0.06 -3.11 0.04 0.00 1.34 0.00 0.00 72.50 70.83 2waq s THR 1060CO -0.10 0.53 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.72 2waq s ILE 1061N -0.21 2.10 -1.20 2.99 1.09 -0.56 -4.88 121.20 120.53 2waq s ILE 1061Ca 0.08 -1.25 -0.18 0.00 -1.10 0.00 0.00 60.65 58.19 2waq s ILE 1061Cb -0.12 -2.05 0.09 0.00 -1.06 0.00 0.00 42.46 39.32 2waq s ILE 1061CO 0.01 0.28 1.59 -0.31 -0.10 0.00 0.00 174.94 176.41 2waq s TYR 1062N 1.21 2.87 0.00 3.97 4.12 -1.26 -1.79 117.35 126.47 2waq s TYR 1062Ca -0.01 -1.53 -0.30 0.00 0.02 0.00 0.00 57.07 55.24 2waq s TYR 1062Cb -0.16 -4.64 -0.05 0.00 -1.52 0.00 0.00 41.96 35.59 2waq s TYR 1062CO -0.09 -1.75 1.29 0.08 0.02 0.00 0.00 175.55 175.10 2waq s VAL 1063N 3.85 3.93 0.36 0.71 1.01 -0.41 -4.22 120.40 125.64 2waq s VAL 1063Ca 0.49 1.32 -0.27 0.00 0.00 0.00 0.00 61.98 63.53 2waq s VAL 1063Cb 0.01 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 2waq s VAL 1063CO 0.02 0.03 1.18 0.00 0.00 0.00 0.00 175.10 176.33 2waq h ASP 1065N 3.01 0.54 0.01 0.00 3.58 -1.78 -2.78 116.42 119.00 2waq h ASP 1065Ca -0.48 -0.51 -0.00 0.00 0.42 0.00 0.00 57.03 56.46 2waq h ASP 1065Cb 1.23 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.11 2waq h ASP 1065CO 0.64 1.35 -0.01 1.56 -2.88 0.00 0.00 179.24 179.90 2waq h GLN 1066N 0.16 -0.02 0.00 0.28 4.20 -1.94 -3.43 115.11 114.36 2waq h GLN 1066Ca -0.13 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 58.19 2waq h GLN 1066Cb 1.82 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.55 2waq h GLN 1066CO 0.20 0.76 -2.36 0.00 -0.67 0.00 0.00 178.83 176.76 2waq n GLY 1068N 1.74 1.78 3.68 0.00 0.00 -1.05 -4.30 105.19 107.04 2waq n GLY 1068Ca -0.46 -0.54 -0.45 0.00 0.00 0.00 0.00 46.02 44.57 2waq n GLY 1068CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2waq n TYR 1069N 0.00 2.36 0.00 1.61 0.18 -1.26 0.06 117.16 120.10 2waq n TYR 1069Ca 0.00 0.30 0.00 0.00 1.88 0.00 0.00 57.90 60.08 2waq n TYR 1069Cb 0.00 -2.53 0.00 0.00 -0.38 0.00 0.00 39.34 36.43 2waq n TYR 1069CO 0.00 0.00 0.00 1.51 -2.08 0.00 0.00 176.86 176.29 2waq n ILE 1070N 2.80 0.00 -2.00 -3.48 0.00 -1.26 -4.60 119.36 110.82 2waq n ILE 1070Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 62.75 62.51 2waq n ILE 1070Cb 0.31 0.00 0.02 0.00 0.00 0.00 0.00 39.64 39.97 2waq n ILE 1070CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2waq s GLY 1071N 0.00 2.85 0.00 4.50 0.00 -1.26 -4.11 107.32 109.30 2waq s GLY 1071Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 44.72 45.88 2waq s GLY 1071CO 0.00 1.66 0.00 0.79 0.00 0.00 0.00 173.10 175.55 2waq n TRP 1072N -0.68 0.00 -2.06 1.90 7.02 -1.26 -4.61 117.44 117.74 2waq n TRP 1072Ca 0.08 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.54 2waq n TRP 1072Cb 0.46 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.33 2waq n TRP 1072CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 2waq n TYR 1073N 0.00 -2.86 -3.90 -5.99 4.01 -1.26 -4.13 117.16 103.02 2waq n TYR 1073Ca 0.00 1.68 -0.10 0.00 -0.16 0.00 0.00 57.90 59.32 2waq n TYR 1073Cb 0.00 -3.05 -0.00 0.00 -0.31 0.00 0.00 39.34 35.97 2waq n TYR 1073CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2waq s ASP 1074N -0.40 0.26 0.09 7.72 1.11 -1.26 -3.94 116.67 120.26 2waq s ASP 1074Ca -0.12 -1.21 0.00 0.00 0.18 0.00 0.00 52.55 51.40 2waq s ASP 1074Cb 0.01 0.78 0.00 0.00 1.07 0.00 0.00 42.92 44.78 2waq s ASP 1074CO 0.33 -1.53 0.00 2.29 1.18 0.00 0.00 175.17 177.44 2waq n LYS 1075N -0.53 0.00 -3.47 8.23 2.85 -1.26 -4.94 118.16 119.04 2waq n LYS 1075Ca -0.05 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.84 2waq n LYS 1075Cb 0.60 -0.29 -0.07 0.00 -0.65 0.00 0.00 35.03 34.63 2waq n LYS 1075CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2waq s ASN 1076N -5.27 6.51 -0.41 -5.58 -0.87 -1.26 -4.06 114.94 104.00 2waq s ASN 1076Ca 0.00 0.60 -0.15 0.00 -1.57 0.00 0.00 52.86 51.75 2waq s ASN 1076Cb 0.00 -2.21 0.02 0.00 -0.02 0.00 0.00 41.25 39.03 2waq s ASN 1076CO 0.00 0.07 0.56 1.17 -2.57 0.00 0.00 177.10 176.33 2waq n LYS 1077N 3.61 -2.20 0.00 -0.60 4.81 -1.26 -4.92 118.16 117.59 2waq n LYS 1077Ca -0.10 2.01 0.00 0.00 -0.87 0.00 0.00 58.31 59.34 2waq n LYS 1077Cb 0.52 -5.42 0.00 0.00 0.02 0.00 0.00 35.03 30.15 2waq n LYS 1077CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2waq n ASN 1078N -0.36 0.00 0.00 3.14 5.15 -1.26 -5.05 115.26 116.88 2waq n ASN 1078Ca 0.11 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 2waq n ASN 1078Cb 0.43 -0.10 0.00 0.00 -0.53 0.00 0.00 39.78 39.58 2waq n ASN 1078CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 2waq n LYS 1079N -2.11 0.00 -2.68 1.20 -0.00 -1.26 -4.86 118.16 108.45 2waq n LYS 1079Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.90 2waq n LYS 1079Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 34.98 2waq n LYS 1079CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2waq s TYR 1080N 1.16 3.83 0.03 5.58 2.02 -1.26 -4.20 117.35 124.50 2waq s TYR 1080Ca 0.00 1.81 -0.20 0.00 -0.37 0.00 0.00 57.07 58.30 2waq s TYR 1080Cb 0.00 -3.08 0.04 0.00 -0.40 0.00 0.00 41.96 38.52 2waq s TYR 1080CO 0.00 0.10 0.46 0.54 -1.57 0.00 0.00 175.55 175.08 2waq s VAL 1081N -0.64 0.04 0.43 0.71 0.11 -1.25 -4.91 120.40 114.89 2waq s VAL 1081Ca 0.45 -0.35 0.07 0.00 -2.93 0.00 0.00 61.98 59.21 2waq s VAL 1081Cb -0.26 -0.92 -0.05 0.00 -1.53 0.00 0.00 36.38 33.62 2waq s VAL 1081CO 0.33 -0.19 0.14 0.00 -3.33 0.00 0.00 175.10 172.04 2waq n PRO 1083N -1.21 0.08 0.00 0.00 -0.02 -1.26 0.72 135.00 133.32 2waq n PRO 1083Ca -0.03 0.57 0.11 0.00 -2.02 0.00 0.00 63.50 62.13 2waq n PRO 1083Cb 0.65 -1.80 0.04 0.00 -0.02 0.00 0.00 33.50 32.37 2waq n PRO 1083CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2waq n ILE 1084N -1.94 0.03 -0.83 4.25 2.08 -1.26 -5.08 119.36 116.60 2waq n ILE 1084Ca -0.01 -0.05 0.11 0.00 0.56 0.00 0.00 62.75 63.36 2waq n ILE 1084Cb 0.05 0.57 -0.03 0.00 -0.75 0.00 0.00 39.64 39.48 2waq n ILE 1084CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 2waq n HIS 1085N -1.59 -2.08 0.00 1.39 8.25 0.22 -5.07 115.22 116.34 2waq n HIS 1085Ca 0.04 1.03 0.00 0.00 -0.26 0.00 0.00 57.72 58.53 2waq n HIS 1085Cb 0.35 -1.89 0.00 0.00 1.12 0.00 0.00 29.99 29.58 2waq n HIS 1085CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2waq n GLY 1086N -2.87 -0.66 0.03 -1.41 0.00 -1.26 -4.57 105.19 94.45 2waq n GLY 1086Ca 0.01 -1.74 0.12 0.00 0.00 0.00 0.00 46.02 44.40 2waq n GLY 1086CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2waq n ASP 1087N -0.76 0.53 -4.68 1.61 8.00 -1.26 -4.68 116.55 115.31 2waq n ASP 1087Ca 0.00 -0.03 -0.38 0.00 0.71 0.00 0.00 54.79 55.08 2waq n ASP 1087Cb 0.00 0.14 0.04 0.00 -0.02 0.00 0.00 41.12 41.28 2waq n ASP 1087CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2waq n LYS 1088N -1.74 1.34 -3.95 -1.24 5.02 -1.26 -3.90 118.16 112.44 2waq n LYS 1088Ca 0.05 0.50 -0.41 0.00 -2.02 0.00 0.00 58.31 56.43 2waq n LYS 1088Cb 0.38 -2.37 0.02 0.00 -0.02 0.00 0.00 35.03 33.04 2waq n LYS 1088CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2waq n SER 1089N -0.82 -4.33 -4.52 4.39 3.41 -1.26 -4.79 113.62 105.69 2waq n SER 1089Ca 0.12 -1.20 -0.48 0.00 -0.26 0.00 0.00 58.87 57.05 2waq n SER 1089Cb 0.45 -2.29 -0.03 0.00 -0.26 0.00 0.00 64.21 62.08 2waq n SER 1089CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2waq n ASN 1090N -2.37 0.43 -4.74 4.04 3.02 -1.25 -3.38 115.26 111.01 2waq n ASN 1090Ca -0.11 1.15 -0.41 0.00 -0.03 0.00 0.00 54.58 55.18 2waq n ASN 1090Cb 0.58 -1.13 -0.04 0.00 -0.61 0.00 0.00 39.78 38.58 2waq n ASN 1090CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2waq s LEU 1091N 1.23 4.49 -0.18 3.41 1.43 -1.26 -4.48 118.68 123.32 2waq s LEU 1091Ca 0.68 2.15 -0.08 0.00 -1.03 0.00 0.00 54.13 55.84 2waq s LEU 1091Cb -0.87 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 41.69 2waq s LEU 1091CO 0.56 -0.24 0.10 -0.36 0.23 0.00 0.00 176.35 176.64 2waq s PHE 1092N -0.34 3.37 0.18 0.29 0.40 -0.86 -4.89 117.98 116.14 2waq s PHE 1092Ca 0.49 0.26 -0.30 0.00 -0.60 0.00 0.00 56.93 56.79 2waq s PHE 1092Cb -0.30 -2.09 -0.08 0.00 0.51 0.00 0.00 43.02 41.05 2waq s PHE 1092CO 0.36 0.31 1.24 -2.14 0.70 0.00 0.00 175.22 175.69 2waq s PRO 1093N 0.15 4.45 -0.09 0.24 0.02 -1.26 -1.28 135.00 137.21 2waq s PRO 1093Ca 0.07 1.94 0.01 0.00 0.02 0.00 0.00 61.00 63.04 2waq s PRO 1093Cb -0.12 -3.23 0.02 0.00 0.02 0.00 0.00 34.50 31.20 2waq s PRO 1093CO -0.00 -0.16 -0.09 0.08 -0.33 0.00 0.00 177.00 176.49 2waq s VAL 1094N 0.08 1.02 -0.46 3.83 1.01 -0.74 -4.91 120.40 120.24 2waq s VAL 1094Ca 0.55 -0.34 -0.28 0.00 0.00 0.00 0.00 61.98 61.91 2waq s VAL 1094Cb -0.34 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.04 2waq s VAL 1094CO 0.37 0.35 1.45 -0.89 0.00 0.00 0.00 175.10 176.38 2waq s THR 1095N 1.32 3.83 0.02 3.92 2.01 -1.26 -1.50 115.64 123.98 2waq s THR 1095Ca -0.02 0.80 -0.06 0.00 0.31 0.00 0.00 61.69 62.72 2waq s THR 1095Cb -0.14 -4.24 -0.01 0.00 0.01 0.00 0.00 72.50 68.13 2waq s THR 1095CO -0.04 -0.87 0.12 -0.69 -0.69 0.00 0.00 174.62 172.45 2waq s VAL 1096N 5.81 0.11 0.23 3.82 1.01 -0.31 -4.98 120.40 126.09 2waq s VAL 1096Ca 0.60 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 2waq s VAL 1096Cb -0.13 -0.69 -0.09 0.00 0.00 0.00 0.00 36.38 35.47 2waq s VAL 1096CO 0.30 -0.50 1.32 -0.94 0.00 0.00 0.00 175.10 175.28 2waq s SER 1097N -1.80 6.85 0.57 3.32 1.04 -1.26 -1.58 113.70 120.84 2waq s SER 1097Ca -0.09 2.48 0.26 0.00 0.48 0.00 0.00 55.95 59.08 2waq s SER 1097Cb -0.04 -2.62 1.69 0.00 0.10 0.00 0.00 66.02 65.15 2waq s SER 1097CO -0.02 -0.54 2.23 0.22 0.98 0.00 0.00 173.24 176.11 2waq h TYR 1098N 4.96 0.00 0.00 5.02 3.20 -1.39 -0.85 116.97 127.91 2waq h TYR 1098Ca -0.46 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.36 2waq h TYR 1098Cb 1.22 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 2waq h TYR 1098CO 0.61 0.00 -0.27 0.00 -1.64 0.00 0.00 178.16 176.86 2waq h ALA 1099N 2.00 1.56 0.07 1.82 0.00 -1.84 -1.69 119.26 121.17 2waq h ALA 1099Ca 0.00 -0.24 -0.25 0.00 0.00 0.00 0.00 54.91 54.42 2waq h ALA 1099Cb 0.01 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.76 2waq h ALA 1099CO -0.00 0.33 -1.09 0.35 0.00 0.00 0.00 179.25 178.84 2waq h PHE 1100N 0.00 0.63 -0.75 0.00 3.57 -1.55 -3.01 116.94 115.83 2waq h PHE 1100Ca -0.00 -0.39 0.03 0.00 3.53 0.00 0.00 57.97 61.14 2waq h PHE 1100Cb 0.47 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 2waq h PHE 1100CO 0.00 1.24 0.47 -0.22 -2.23 0.00 0.00 178.31 177.58 2waq h LYS 1101N 0.18 0.90 0.29 1.11 3.64 -1.13 -2.22 116.57 119.35 2waq h LYS 1101Ca -0.12 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 2waq h LYS 1101Cb 1.77 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 33.38 2waq h LYS 1101CO 0.19 0.59 -0.16 -0.07 -2.27 0.00 0.00 179.45 177.73 2waq h LEU 1102N 0.92 -0.40 -0.81 5.20 3.38 -1.41 -2.71 115.31 119.47 2waq h LEU 1102Ca 0.30 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.43 2waq h LEU 1102Cb 0.02 0.11 -0.15 0.00 0.09 0.00 0.00 40.66 40.73 2waq h LEU 1102CO -0.11 -0.27 -0.31 0.25 0.09 0.00 0.00 178.44 178.09 2waq h LEU 1103N -0.43 -1.11 -0.47 1.67 5.85 -1.29 0.45 115.31 119.98 2waq h LEU 1103Ca -0.03 0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 2waq h LEU 1103Cb 0.34 0.62 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 2waq h LEU 1103CO 0.05 -0.29 0.23 0.40 -0.34 0.00 0.00 178.44 178.48 2waq h ILE 1104N -0.05 1.18 0.00 4.05 2.04 -1.35 -0.99 117.51 122.39 2waq h ILE 1104Ca 0.33 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.69 2waq h ILE 1104Cb 0.59 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2waq h ILE 1104CO -0.85 0.20 0.00 1.56 0.00 0.00 0.00 178.15 179.06 2waq h GLN 1105N 0.61 0.00 0.00 2.37 4.20 -0.91 -0.75 115.11 120.62 2waq h GLN 1105Ca 0.16 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.70 2waq h GLN 1105Cb 0.11 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 2waq h GLN 1105CO -0.02 0.00 -0.82 0.93 -0.67 0.00 0.00 178.83 178.25 2waq h GLU 1106N 0.00 0.00 -0.11 1.46 5.08 0.22 -2.71 114.58 118.53 2waq h GLU 1106Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 2waq h GLU 1106Cb 0.74 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.01 2waq h GLU 1106CO 0.00 0.82 -0.80 -0.07 -1.00 0.00 0.00 179.01 177.96 2waq h LEU 1107N 0.00 0.88 -1.01 1.33 3.38 -0.71 -3.10 115.31 116.09 2waq h LEU 1107Ca -0.01 -0.66 -0.03 0.00 0.09 0.00 0.00 57.88 57.27 2waq h LEU 1107Cb 1.58 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 42.03 2waq h LEU 1107CO 0.11 1.41 0.36 0.24 0.09 0.00 0.00 178.44 180.64 2waq h MET 1108N 0.43 1.06 0.00 1.13 2.86 -1.18 -1.02 114.93 118.20 2waq h MET 1108Ca -0.07 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.41 2waq h MET 1108Cb 1.44 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.90 2waq h MET 1108CO 0.16 0.82 -0.05 0.66 1.06 0.00 0.00 176.91 179.56 2waq h SER 1109N 1.06 0.00 -0.57 1.22 4.64 -1.56 -2.42 113.55 115.92 2waq h SER 1109Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2waq h SER 1109Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2waq h SER 1109CO -0.03 0.05 0.00 0.80 -0.87 0.00 0.00 176.83 176.78 2waq n MET 1110N -3.17 3.16 -3.15 4.77 0.00 -0.64 -4.96 117.12 113.14 2waq n MET 1110Ca 0.01 -2.39 -0.12 0.00 0.00 0.00 0.00 57.70 55.19 2waq n MET 1110Cb 0.34 -1.74 0.06 0.00 0.00 0.00 0.00 33.22 31.87 2waq n MET 1110CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 2waq n ILE 1111N 1.01 -9.07 -4.15 1.12 -0.00 -0.91 -5.04 119.36 102.31 2waq n ILE 1111Ca 0.22 -1.11 -0.17 0.00 -0.00 0.00 0.00 62.75 61.69 2waq n ILE 1111Cb 0.73 -6.48 -0.15 0.00 -0.00 0.00 0.00 39.64 33.74 2waq n ILE 1111CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 2waq s ILE 1112N -3.31 0.42 -0.48 1.39 1.01 -0.48 -5.00 121.20 114.75 2waq s ILE 1112Ca 0.36 -0.19 -0.16 0.00 0.00 0.00 0.00 60.65 60.67 2waq s ILE 1112Cb -0.05 -0.39 0.08 0.00 0.01 0.00 0.00 42.46 42.11 2waq s ILE 1112CO 0.71 0.14 0.44 -0.94 0.00 0.00 0.00 174.94 175.29 2waq s SER 1113N 0.13 6.16 -0.96 3.58 1.04 -1.26 -3.56 113.70 118.83 2waq s SER 1113Ca -0.01 -1.33 -0.14 0.00 0.48 0.00 0.00 55.95 54.95 2waq s SER 1113Cb -0.05 -2.20 0.21 0.00 0.10 0.00 0.00 66.02 64.08 2waq s SER 1113CO -0.00 -0.70 0.99 -2.16 0.98 0.00 0.00 173.24 172.35 2waq s PRO 1114N 1.76 3.81 -0.12 4.02 0.05 -1.26 -5.04 135.00 138.22 2waq s PRO 1114Ca 0.05 -2.54 -0.29 0.00 0.05 0.00 0.00 61.00 58.27 2waq s PRO 1114Cb -0.24 -4.62 -0.01 0.00 0.05 0.00 0.00 34.50 29.68 2waq s PRO 1114CO 0.07 -1.42 1.02 1.03 0.05 0.00 0.00 177.00 177.75 2waq s ARG 1115N 0.42 4.40 -0.34 4.56 1.81 -1.26 -4.38 118.95 124.16 2waq s ARG 1115Ca 0.27 1.40 -0.17 0.00 -1.72 0.00 0.00 55.73 55.51 2waq s ARG 1115Cb -0.08 -3.56 -0.01 0.00 -0.45 0.00 0.00 34.95 30.85 2waq s ARG 1115CO -0.08 -0.36 0.44 -0.51 -0.68 0.00 0.00 175.30 174.10 2waq s LEU 1116N 2.19 4.37 0.10 2.53 1.02 -1.26 -4.98 118.68 122.65 2waq s LEU 1116Ca 0.48 -0.09 -0.30 0.00 0.02 0.00 0.00 54.13 54.24 2waq s LEU 1116Cb -0.18 -2.47 -0.06 0.00 0.02 0.00 0.00 46.19 43.51 2waq s LEU 1116CO 0.16 -0.39 1.05 -0.63 0.02 0.00 0.00 176.35 176.56 2waq s ILE 1117N 2.20 4.29 0.49 -0.59 -1.09 -1.26 -4.56 121.20 120.68 2waq s ILE 1117Ca 0.15 1.82 -0.22 0.00 -2.23 0.00 0.00 60.65 60.18 2waq s ILE 1117Cb -0.16 -4.16 -0.07 0.00 -1.58 0.00 0.00 42.46 36.49 2waq s ILE 1117CO 0.12 0.24 1.19 -1.48 -1.23 0.00 0.00 174.94 173.78 2waq s LEU 1118N 0.24 3.93 -0.21 2.97 2.34 -1.26 -5.06 118.68 121.63 2waq s LEU 1118Ca 0.51 2.35 -0.20 0.00 0.06 0.00 0.00 54.13 56.85 2waq s LEU 1118Cb -0.26 -4.32 0.05 0.00 -0.56 0.00 0.00 46.19 41.11 2waq s LEU 1118CO 0.31 -1.10 0.56 -0.70 -1.06 0.00 0.00 176.35 174.37 2waq s GLU 1119N -2.85 0.67 0.73 1.48 2.12 -1.26 -5.16 118.70 114.43 2waq s GLU 1119Ca 0.67 0.76 -0.16 0.00 0.36 0.00 0.00 54.97 56.60 2waq s GLU 1119Cb -0.30 0.33 -0.04 0.00 0.26 0.00 0.00 34.13 34.38 2waq s GLU 1119CO 0.35 -0.09 0.49 -0.25 -0.54 0.00 0.00 175.26 175.22 2waq n ASP 1120N 2.71 -1.37 -0.15 -1.70 10.43 -1.26 -4.88 116.55 120.34 2waq n ASP 1120Ca -0.14 0.57 0.13 0.00 2.57 0.00 0.00 54.79 57.92 2waq n ASP 1120Cb 0.56 -1.20 0.48 0.00 1.84 0.00 0.00 41.12 42.80 2waq n ASP 1120CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 2waq h ARG 1121N -0.44 0.46 -0.00 -1.24 2.43 -2.03 -3.56 114.38 109.99 2waq h ARG 1121Ca -0.45 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2waq h ARG 1121Cb 1.35 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2waq h ARG 1121CO 0.42 0.30 0.00 0.28 -1.51 0.00 0.00 179.97 179.46