#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g1o n ASP 23 N 0.00 2.87 -0.04 1.61 -0.08 -1.26 -4.16 116.55 115.48 3g1o n ASP 23 Ca 0.00 -0.01 -0.03 0.00 -1.51 0.00 0.00 54.79 53.24 3g1o n ASP 23 Cb 0.00 0.63 0.20 0.00 2.34 0.00 0.00 41.12 44.29 3g1o n ASP 23 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 3g1o h ASP 24 N 0.00 0.61 -0.59 1.67 5.19 -2.04 -1.95 116.42 119.32 3g1o h ASP 24 Ca -0.24 -0.16 0.10 0.00 -0.62 0.00 0.00 57.03 56.11 3g1o h ASP 24 Cb 1.52 -0.16 -0.08 0.00 0.18 0.00 0.00 39.33 40.79 3g1o h ASP 24 CO 0.01 0.75 0.17 0.03 -3.12 0.00 0.00 179.24 177.07 3g1o h ARG 25 N 0.59 0.31 -0.38 3.56 3.08 -1.94 1.17 114.38 120.76 3g1o h ARG 25 Ca 0.11 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 3g1o h ARG 25 Cb 0.50 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 3g1o h ARG 25 CO 0.03 0.20 0.10 1.49 -1.07 0.00 0.00 179.97 180.72 3g1o h GLU 26 N 0.31 0.61 -0.15 0.04 4.81 -1.65 -1.49 114.58 117.07 3g1o h GLU 26 Ca 0.31 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 3g1o h GLU 26 Cb 0.43 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3g1o h GLU 26 CO -0.36 0.64 -0.24 -0.07 -0.73 0.00 0.00 179.01 178.25 3g1o h LEU 27 N 0.47 0.26 -0.37 1.64 3.38 -0.49 -0.68 115.31 119.52 3g1o h LEU 27 Ca 0.12 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 3g1o h LEU 27 Cb 0.29 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3g1o h LEU 27 CO -0.00 0.51 -0.28 0.00 0.09 0.00 0.00 178.44 178.76 3g1o h ALA 28 N 1.52 0.53 -0.25 1.53 0.00 0.15 -0.34 119.26 122.40 3g1o h ALA 28 Ca 0.04 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.58 3g1o h ALA 28 Cb 0.56 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3g1o h ALA 28 CO 0.04 0.55 0.05 0.82 0.00 0.00 0.00 179.25 180.71 3g1o h ILE 29 N 0.64 0.89 -0.43 0.00 2.04 -0.86 -1.38 117.51 118.41 3g1o h ILE 29 Ca 0.07 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 3g1o h ILE 29 Cb 0.85 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3g1o h ILE 29 CO 0.07 0.03 0.25 -0.07 0.00 0.00 0.00 178.15 178.43 3g1o h LEU 30 N 0.15 0.52 -0.42 1.44 3.38 -0.99 -0.42 115.31 118.96 3g1o h LEU 30 Ca 0.11 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3g1o h LEU 30 Cb 0.11 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3g1o h LEU 30 CO -0.15 0.43 0.17 0.00 0.09 0.00 0.00 178.44 178.98 3g1o h ALA 31 N 1.11 0.54 -0.75 1.53 0.00 -0.99 -1.02 119.26 119.68 3g1o h ALA 31 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3g1o h ALA 31 Cb 0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3g1o h ALA 31 CO -0.03 0.14 0.47 1.15 0.00 0.00 0.00 179.25 180.99 3g1o h THR 32 N 0.53 1.21 0.01 0.00 2.02 -1.10 0.28 112.91 115.87 3g1o h THR 32 Ca 0.14 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 3g1o h THR 32 Cb 0.18 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 3g1o h THR 32 CO -0.01 0.21 -0.01 0.00 0.37 0.00 0.00 175.52 176.08 3g1o h ALA 33 N 1.26 -0.02 -0.23 6.16 0.00 -0.86 -0.51 119.26 125.06 3g1o h ALA 33 Ca 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3g1o h ALA 33 Cb -0.07 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3g1o h ALA 33 CO -0.05 -0.50 0.10 1.49 0.00 0.00 0.00 179.25 180.28 3g1o h GLU 34 N -0.05 0.34 -0.49 0.00 4.81 -0.83 -0.41 114.58 117.97 3g1o h GLU 34 Ca -0.00 -0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.26 3g1o h GLU 34 Cb 0.04 -0.06 -0.10 0.00 0.63 0.00 0.00 28.75 29.26 3g1o h GLU 34 CO 0.00 0.39 -0.30 -0.91 -0.73 0.00 0.00 179.01 177.46 3g1o h ASN 35 N 0.23 -1.03 0.94 1.04 -0.26 -0.37 -2.51 115.58 113.61 3g1o h ASN 35 Ca 0.08 0.20 -0.09 0.00 -0.56 0.00 0.00 56.30 55.93 3g1o h ASN 35 Cb 0.17 0.51 -0.01 0.00 -1.06 0.00 0.00 38.32 37.93 3g1o h ASN 35 CO -0.01 -0.30 -0.43 -0.07 -1.06 0.00 0.00 177.43 175.57 3g1o h LEU 36 N -0.19 0.00 -1.75 1.61 3.38 -0.94 -2.39 115.31 115.03 3g1o h LEU 36 Ca 0.21 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 3g1o h LEU 36 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3g1o h LEU 36 CO -0.60 0.43 -0.17 -0.07 0.09 0.00 0.00 178.44 178.12 3g1o h LEU 37 N 0.00 0.00 -0.63 1.67 3.38 -0.62 -2.69 115.31 116.42 3g1o h LEU 37 Ca -0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 3g1o h LEU 37 Cb 1.01 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.66 3g1o h LEU 37 CO 0.06 0.17 0.05 -0.33 0.09 0.00 0.00 178.44 178.47 3g1o h GLU 38 N 0.00 0.16 0.00 1.13 4.39 -1.25 -3.28 114.58 115.73 3g1o h GLU 38 Ca -0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3g1o h GLU 38 Cb 0.35 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 3g1o h GLU 38 CO 0.02 0.11 -1.53 -0.25 -1.16 0.00 0.00 179.01 176.20 3g1o n ASP 39 N -5.23 0.40 -3.56 1.42 9.92 -1.03 -5.00 116.55 113.46 3g1o n ASP 39 Ca 0.10 0.12 -0.11 0.00 -0.53 0.00 0.00 54.79 54.37 3g1o n ASP 39 Cb 0.36 1.28 -0.03 0.00 -0.64 0.00 0.00 41.12 42.09 3g1o n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3g1o s ARG 40 N -3.44 1.24 1.03 -1.24 1.70 -1.11 -5.17 118.95 111.96 3g1o s ARG 40 Ca -0.04 -0.63 -0.17 0.00 -0.47 0.00 0.00 55.73 54.41 3g1o s ARG 40 Cb 0.12 0.54 0.26 0.00 -0.57 0.00 0.00 34.95 35.30 3g1o s ARG 40 CO 0.85 -0.53 0.94 -0.35 -1.08 0.00 0.00 175.30 175.14 3g1o n PRO 41 N -0.32 -2.71 -0.01 3.89 -0.04 -1.26 -4.31 135.00 130.24 3g1o n PRO 41 Ca -0.15 -1.50 -0.02 0.00 -0.04 0.00 0.00 63.50 61.79 3g1o n PRO 41 Cb 0.64 -1.38 0.25 0.00 -0.04 0.00 0.00 33.50 32.97 3g1o n PRO 41 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3g1o h LEU 42 N 0.00 0.52 -0.20 1.53 5.85 -1.94 -2.95 115.31 118.11 3g1o h LEU 42 Ca -0.35 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3g1o h LEU 42 Cb 1.06 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.96 3g1o h LEU 42 CO 0.23 0.64 0.00 0.00 -0.34 0.00 0.00 178.44 178.98 3g1o n ALA 43 N -2.48 1.42 0.03 1.25 0.00 -1.26 -2.11 120.51 117.36 3g1o n ALA 43 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.48 3g1o n ALA 43 Cb 0.30 -1.19 0.05 0.00 0.00 0.00 0.00 19.45 18.61 3g1o n ALA 43 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3g1o n ASP 44 N -1.66 2.06 -4.35 0.00 10.43 -1.12 -4.94 116.55 116.98 3g1o n ASP 44 Ca 0.02 -1.70 -0.32 0.00 2.57 0.00 0.00 54.79 55.35 3g1o n ASP 44 Cb 0.12 -0.07 -0.15 0.00 1.84 0.00 0.00 41.12 42.86 3g1o n ASP 44 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3g1o s ILE 45 N -0.79 2.65 0.30 0.53 1.01 -0.89 -4.96 121.20 119.05 3g1o s ILE 45 Ca 0.09 -0.83 0.08 0.00 0.00 0.00 0.00 60.65 59.99 3g1o s ILE 45 Cb 0.05 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 3g1o s ILE 45 CO 0.07 0.56 0.11 -0.94 0.00 0.00 0.00 174.94 174.73 3g1o s SER 46 N -0.07 4.79 0.27 3.58 1.04 -1.26 -4.96 113.70 117.10 3g1o s SER 46 Ca -0.04 -0.63 -0.00 0.00 0.48 0.00 0.00 55.95 55.75 3g1o s SER 46 Cb -0.14 -0.88 0.52 0.00 0.10 0.00 0.00 66.02 65.61 3g1o s SER 46 CO 0.04 -0.15 1.82 0.58 0.98 0.00 0.00 173.24 176.51 3g1o h VAL 47 N 1.65 0.90 -0.96 5.02 2.07 -1.99 0.15 116.25 123.09 3g1o h VAL 47 Ca -0.45 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 66.79 3g1o h VAL 47 Cb 1.25 -0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 3g1o h VAL 47 CO 0.62 0.17 0.63 0.44 0.02 0.00 0.00 177.57 179.44 3g1o h ASP 48 N 0.92 1.05 -0.93 0.57 3.45 -1.97 0.26 116.42 119.77 3g1o h ASP 48 Ca 0.48 -0.01 0.03 0.00 0.43 0.00 0.00 57.03 57.95 3g1o h ASP 48 Cb 0.48 -0.25 -0.05 0.00 -0.56 0.00 0.00 39.33 38.96 3g1o h ASP 48 CO -0.27 0.73 0.61 0.44 -1.57 0.00 0.00 179.24 179.18 3g1o h ASP 49 N 1.22 1.03 0.31 6.45 3.45 -1.14 0.27 116.42 128.01 3g1o h ASP 49 Ca 0.38 -0.01 -0.33 0.00 0.43 0.00 0.00 57.03 57.49 3g1o h ASP 49 Cb -0.02 -0.24 0.02 0.00 -0.56 0.00 0.00 39.33 38.53 3g1o h ASP 49 CO -0.11 0.72 -1.56 -0.07 -1.57 0.00 0.00 179.24 176.65 3g1o h LEU 50 N 1.20 0.65 -0.25 1.55 3.38 -0.52 -2.12 115.31 119.20 3g1o h LEU 50 Ca 0.36 -0.81 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 3g1o h LEU 50 Cb -0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3g1o h LEU 50 CO -0.11 1.66 0.01 0.00 0.09 0.00 0.00 178.44 180.09 3g1o h ALA 51 N 0.24 0.34 -0.10 1.53 0.00 -0.45 -1.87 119.26 118.95 3g1o h ALA 51 Ca -0.27 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.47 3g1o h ALA 51 Cb 2.10 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.75 3g1o h ALA 51 CO 0.22 0.06 -0.17 -0.22 0.00 0.00 0.00 179.25 179.13 3g1o h LYS 52 N 0.23 -0.22 -0.27 0.00 1.63 -1.00 0.05 116.57 116.98 3g1o h LYS 52 Ca 0.07 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.88 3g1o h LYS 52 Cb 0.39 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 3g1o h LYS 52 CO 0.01 -0.15 0.15 0.78 -3.45 0.00 0.00 179.45 176.79 3g1o h GLY 53 N -0.23 0.39 1.19 5.01 0.00 -1.37 -3.00 103.07 105.07 3g1o h GLY 53 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3g1o h GLY 53 CO -0.24 0.15 -0.44 0.00 0.00 0.00 0.00 176.54 176.02 3g1o n ALA 54 N -2.49 3.25 -1.94 3.60 0.00 -0.57 -4.93 120.51 117.42 3g1o n ALA 54 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3g1o n ALA 54 Cb 0.09 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.36 3g1o n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g1o n GLY 55 N 1.47 0.79 3.15 0.00 0.00 -0.15 -4.83 105.19 105.63 3g1o n GLY 55 Ca 0.05 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 3g1o n GLY 55 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3g1o s ILE 56 N -2.45 0.22 0.66 -0.61 -4.36 -0.33 -5.04 121.20 109.29 3g1o s ILE 56 Ca 0.00 -1.91 -0.09 0.00 -0.26 0.00 0.00 60.65 58.39 3g1o s ILE 56 Cb 0.00 -1.97 0.02 0.00 1.25 0.00 0.00 42.46 41.76 3g1o s ILE 56 CO 0.00 -0.56 1.02 -0.94 0.24 0.00 0.00 174.94 174.70 3g1o s SER 57 N -3.05 5.44 0.09 4.36 1.04 -1.26 -3.82 113.70 116.50 3g1o s SER 57 Ca 0.21 0.92 -0.29 0.00 0.48 0.00 0.00 55.95 57.27 3g1o s SER 57 Cb 0.07 -1.78 -0.15 0.00 0.10 0.00 0.00 66.02 64.27 3g1o s SER 57 CO 0.00 -1.26 1.66 -0.09 0.98 0.00 0.00 173.24 174.53 3g1o h ARG 58 N -0.47 -0.53 -0.04 4.02 2.43 -1.93 -1.71 114.38 116.15 3g1o h ARG 58 Ca -0.45 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 58.77 3g1o h ARG 58 Cb 1.26 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.93 3g1o h ARG 58 CO 0.62 -0.36 0.03 -1.00 -1.51 0.00 0.00 179.97 177.76 3g1o h PRO 59 N -0.55 0.00 -0.40 0.20 0.13 -1.99 -1.93 132.00 127.45 3g1o h PRO 59 Ca -0.03 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.03 3g1o h PRO 59 Cb 0.46 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 3g1o h PRO 59 CO 0.03 0.00 -0.02 1.15 -0.23 0.00 0.00 178.00 178.93 3g1o h THR 60 N 0.00 1.26 -0.75 1.56 2.02 -1.90 -2.25 112.91 112.86 3g1o h THR 60 Ca 0.02 -1.05 0.15 0.00 0.77 0.00 0.00 66.41 66.29 3g1o h THR 60 Cb 0.08 1.15 -0.14 0.00 -1.74 0.00 0.00 68.15 67.49 3g1o h THR 60 CO -0.00 0.35 -0.22 0.15 0.37 0.00 0.00 175.52 176.18 3g1o h PHE 61 N 0.54 -0.49 0.00 3.16 3.04 -0.56 -1.20 116.94 121.42 3g1o h PHE 61 Ca 0.11 0.07 0.00 0.00 3.98 0.00 0.00 57.97 62.13 3g1o h PHE 61 Cb 0.51 0.33 0.00 0.00 2.56 0.00 0.00 35.95 39.35 3g1o h PHE 61 CO 0.04 -0.34 0.00 0.66 -2.02 0.00 0.00 178.31 176.65 3g1o n TYR 62 N -5.49 0.00 0.05 0.41 4.01 -0.87 -0.40 117.16 114.87 3g1o n TYR 62 Ca 0.10 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.63 3g1o n TYR 62 Cb 0.38 -0.45 -0.11 0.00 -0.31 0.00 0.00 39.34 38.85 3g1o n TYR 62 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3g1o h PHE 63 N 0.00 0.94 0.15 -0.72 3.04 -0.97 -3.37 116.94 116.01 3g1o h PHE 63 Ca 0.00 -0.54 -0.31 0.00 3.98 0.00 0.00 57.97 61.11 3g1o h PHE 63 Cb 0.19 -0.10 0.01 0.00 2.56 0.00 0.00 35.95 38.61 3g1o h PHE 63 CO 0.00 1.38 -1.46 1.88 -2.02 0.00 0.00 178.31 178.09 3g1o h TYR 64 N 0.24 0.58 -3.70 0.41 -1.99 -0.73 -3.47 116.97 108.30 3g1o h TYR 64 Ca -0.14 -0.42 -0.24 0.00 2.00 0.00 0.00 58.73 59.94 3g1o h TYR 64 Cb 1.68 -0.02 -0.29 0.00 2.00 0.00 0.00 36.73 40.10 3g1o h TYR 64 CO 0.12 1.41 -0.72 -0.06 -0.00 0.00 0.00 178.16 178.91 3g1o s PHE 65 N -2.62 -0.00 -0.61 4.88 0.40 -0.42 -5.04 117.98 114.57 3g1o s PHE 65 Ca -0.08 0.02 0.24 0.00 -0.60 0.00 0.00 56.93 56.51 3g1o s PHE 65 Cb 0.06 -0.02 0.92 0.00 0.51 0.00 0.00 43.02 44.49 3g1o s PHE 65 CO 0.88 -0.01 1.73 -0.35 0.70 0.00 0.00 175.22 178.17 3g1o n PRO 66 N 3.19 0.21 -3.59 0.24 -0.04 -1.26 -4.11 135.00 129.63 3g1o n PRO 66 Ca -0.14 0.33 -0.05 0.00 -0.04 0.00 0.00 63.50 63.60 3g1o n PRO 66 Cb 0.59 -1.82 -0.02 0.00 -0.04 0.00 0.00 33.50 32.21 3g1o n PRO 66 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3g1o s SER 67 N -4.26 -0.22 0.44 3.54 1.04 -1.26 -4.99 113.70 107.98 3g1o s SER 67 Ca 0.07 -0.10 0.18 0.00 0.48 0.00 0.00 55.95 56.57 3g1o s SER 67 Cb 0.11 0.31 1.04 0.00 0.10 0.00 0.00 66.02 67.57 3g1o s SER 67 CO 0.47 -0.53 1.96 0.07 0.98 0.00 0.00 173.24 176.18 3g1o h LYS 68 N 2.00 0.00 -0.19 4.02 2.10 -1.97 -2.66 116.57 119.88 3g1o h LYS 68 Ca -0.20 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.34 3g1o h LYS 68 Cb 1.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.53 3g1o h LYS 68 CO 0.27 0.22 -0.35 0.93 -2.00 0.00 0.00 179.45 178.52 3g1o h GLU 69 N 0.00 0.41 -0.07 0.07 3.07 -1.98 -2.22 114.58 113.87 3g1o h GLU 69 Ca -0.00 -0.18 -0.09 0.00 -0.50 0.00 0.00 59.36 58.59 3g1o h GLU 69 Cb 0.44 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 3g1o h GLU 69 CO 0.03 0.71 -0.36 0.00 -1.40 0.00 0.00 179.01 177.99 3g1o h ALA 70 N 1.28 1.27 -0.30 3.43 0.00 -1.86 -1.48 119.26 121.60 3g1o h ALA 70 Ca 0.04 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 3g1o h ALA 70 Cb 0.79 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3g1o h ALA 70 CO 0.06 0.51 -0.01 0.28 0.00 0.00 0.00 179.25 180.10 3g1o h VAL 71 N 0.12 1.26 0.30 0.00 2.07 -1.26 -2.51 116.25 116.22 3g1o h VAL 71 Ca 0.01 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 3g1o h VAL 71 Cb 0.70 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 3g1o h VAL 71 CO 0.05 0.31 -0.22 0.25 0.02 0.00 0.00 177.57 177.98 3g1o h LEU 72 N 0.32 -0.55 -0.80 2.57 5.85 -1.24 -1.63 115.31 119.83 3g1o h LEU 72 Ca 0.08 0.04 0.18 0.00 0.84 0.00 0.00 57.88 59.03 3g1o h LEU 72 Cb 0.45 0.18 -0.15 0.00 0.37 0.00 0.00 40.66 41.51 3g1o h LEU 72 CO 0.02 -0.34 -0.05 0.25 -0.34 0.00 0.00 178.44 177.98 3g1o h LEU 73 N -0.51 -0.49 -0.45 2.25 5.85 -1.29 0.25 115.31 120.92 3g1o h LEU 73 Ca -0.02 0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 3g1o h LEU 73 Cb 0.44 0.41 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 3g1o h LEU 73 CO 0.00 -0.23 0.11 0.74 -0.34 0.00 0.00 178.44 178.72 3g1o h THR 74 N 0.06 1.23 -0.32 1.05 2.02 -1.05 -0.16 112.91 115.74 3g1o h THR 74 Ca 0.43 -0.82 0.04 0.00 0.77 0.00 0.00 66.41 66.84 3g1o h THR 74 Cb 0.75 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 3g1o h THR 74 CO -0.75 0.29 0.07 -0.07 0.37 0.00 0.00 175.52 175.43 3g1o h LEU 75 N 0.60 0.04 -0.61 2.58 3.38 -0.13 -1.46 115.31 119.71 3g1o h LEU 75 Ca 0.14 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3g1o h LEU 75 Cb 0.32 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3g1o h LEU 75 CO 0.00 0.06 0.31 0.25 0.09 0.00 0.00 178.44 179.15 3g1o h LEU 76 N 0.19 0.79 -0.30 1.67 6.46 -0.90 -1.95 115.31 121.28 3g1o h LEU 76 Ca 0.15 -0.12 0.06 0.00 -0.12 0.00 0.00 57.88 57.85 3g1o h LEU 76 Cb 0.15 -0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 39.82 3g1o h LEU 76 CO -0.18 0.69 -0.09 -0.78 -0.62 0.00 0.00 178.44 177.46 3g1o h ASP 77 N 0.84 -0.32 -0.62 1.25 1.82 -0.78 -0.11 116.42 118.50 3g1o h ASP 77 Ca 0.21 0.10 0.02 0.00 -0.39 0.00 0.00 57.03 56.97 3g1o h ASP 77 Cb 0.10 0.20 -0.04 0.00 0.68 0.00 0.00 39.33 40.28 3g1o h ASP 77 CO -0.03 -0.12 0.39 0.03 -1.61 0.00 0.00 179.24 177.91 3g1o h ARG 78 N -0.02 0.76 -0.28 0.28 2.47 -0.97 -0.87 114.38 115.76 3g1o h ARG 78 Ca 0.15 -0.05 -0.06 0.00 -1.26 0.00 0.00 59.98 58.76 3g1o h ARG 78 Cb 0.25 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 3g1o h ARG 78 CO -0.32 0.51 -0.07 0.28 0.56 0.00 0.00 179.97 180.92 3g1o h VAL 79 N 0.79 1.28 -0.36 2.04 2.07 -0.97 -0.90 116.25 120.20 3g1o h VAL 79 Ca 0.24 -1.09 0.01 0.00 0.82 0.00 0.00 66.70 66.68 3g1o h VAL 79 Cb -0.02 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3g1o h VAL 79 CO -0.08 0.35 0.23 0.58 0.02 0.00 0.00 177.57 178.66 3g1o h VAL 80 N 0.29 1.06 -0.54 2.57 2.07 -0.98 -0.95 116.25 119.77 3g1o h VAL 80 Ca 0.07 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 3g1o h VAL 80 Cb 0.55 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3g1o h VAL 80 CO 0.03 0.08 0.05 0.78 0.02 0.00 0.00 177.57 178.53 3g1o h ASN 81 N 0.46 0.83 -0.42 0.57 2.35 -1.10 -0.33 115.58 117.94 3g1o h ASN 81 Ca 0.14 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 3g1o h ASN 81 Cb -0.02 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 3g1o h ASN 81 CO -0.05 0.87 0.11 -0.61 -1.65 0.00 0.00 177.43 176.10 3g1o h GLN 82 N 0.82 0.66 -0.67 0.81 4.15 -1.00 0.12 115.11 120.01 3g1o h GLN 82 Ca 0.16 -0.15 -0.06 0.00 0.77 0.00 0.00 58.65 59.37 3g1o h GLN 82 Cb 0.42 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.99 3g1o h GLN 82 CO 0.01 0.67 0.18 0.00 -1.93 0.00 0.00 178.83 177.76 3g1o h ALA 83 N 0.96 1.06 -0.26 3.38 0.00 -1.01 -2.38 119.26 121.00 3g1o h ALA 83 Ca 0.13 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3g1o h ALA 83 Cb 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3g1o h ALA 83 CO -0.00 0.63 0.02 0.22 0.00 0.00 0.00 179.25 180.12 3g1o h ASP 84 N 0.99 0.44 -0.36 0.00 -0.00 -0.63 -1.70 116.42 115.16 3g1o h ASP 84 Ca 0.21 -0.28 -0.01 0.00 -0.00 0.00 0.00 57.03 56.95 3g1o h ASP 84 Cb 0.32 -0.12 -0.02 0.00 -0.00 0.00 0.00 39.33 39.52 3g1o h ASP 84 CO -0.00 0.61 0.17 0.24 -0.00 0.00 0.00 179.24 180.26 3g1o h MET 85 N 0.25 0.52 -0.39 0.28 2.86 -0.77 -0.91 114.93 116.77 3g1o h MET 85 Ca 0.08 -0.08 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 3g1o h MET 85 Cb 0.37 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.88 3g1o h MET 85 CO 0.01 0.47 0.03 0.00 1.06 0.00 0.00 176.91 178.48 3g1o h ALA 86 N 1.02 0.38 -0.99 6.32 0.00 -1.42 -0.95 119.26 123.63 3g1o h ALA 86 Ca 0.12 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.19 3g1o h ALA 86 Cb 0.12 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3g1o h ALA 86 CO -0.02 -0.37 0.64 1.25 0.00 0.00 0.00 179.25 180.76 3g1o h LEU 87 N 0.15 1.03 -1.32 0.00 5.85 -0.99 -2.50 115.31 117.53 3g1o h LEU 87 Ca 0.19 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 3g1o h LEU 87 Cb 0.25 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3g1o h LEU 87 CO -0.29 0.67 -0.34 1.56 -0.34 0.00 0.00 178.44 179.71 3g1o h GLN 88 N 1.18 0.00 -0.17 1.25 4.20 -0.43 -1.61 115.11 119.54 3g1o h GLN 88 Ca 0.42 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.12 3g1o h GLN 88 Cb 0.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3g1o h GLN 88 CO -0.16 0.34 0.10 1.15 -0.67 0.00 0.00 178.83 179.59 3g1o h THR 89 N 0.00 1.09 -0.28 -0.54 2.02 -0.74 -2.21 112.91 112.25 3g1o h THR 89 Ca -0.00 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 3g1o h THR 89 Cb 0.60 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 3g1o h THR 89 CO 0.04 0.09 0.08 -0.07 0.37 0.00 0.00 175.52 176.03 3g1o h LEU 90 N 0.19 0.35 -1.10 2.58 3.38 -1.42 -2.91 115.31 116.38 3g1o h LEU 90 Ca 0.06 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3g1o h LEU 90 Cb 0.05 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3g1o h LEU 90 CO -0.01 0.35 -0.31 0.00 0.09 0.00 0.00 178.44 178.56 3g1o h ALA 91 N 1.71 1.06 0.00 1.53 0.00 -0.74 -2.72 119.26 120.09 3g1o h ALA 91 Ca 0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3g1o h ALA 91 Cb 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3g1o h ALA 91 CO -0.01 0.39 -0.98 0.93 0.00 0.00 0.00 179.25 179.58 3g1o h GLU 92 N 0.00 0.00 -5.07 0.00 5.08 -1.36 -3.46 114.58 109.77 3g1o h GLU 92 Ca -0.00 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.72 3g1o h GLU 92 Cb 0.79 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.84 3g1o h GLU 92 CO 0.04 0.03 -0.60 -0.80 -1.00 0.00 0.00 179.01 176.69 3g1o s ASN 93 N -5.47 5.35 -0.25 1.42 0.02 -1.03 -5.02 114.94 109.97 3g1o s ASN 93 Ca -0.00 -0.09 -0.00 0.00 -1.02 0.00 0.00 52.86 51.74 3g1o s ASN 93 Cb 0.09 -1.95 0.20 0.00 0.02 0.00 0.00 41.25 39.61 3g1o s ASN 93 CO 0.78 0.04 1.88 -0.81 0.02 0.00 0.00 177.10 179.02 3g1o n PRO 94 N 4.42 1.64 -0.60 -0.60 -0.04 -1.26 -4.85 135.00 133.71 3g1o n PRO 94 Ca -0.16 -1.29 -0.28 0.00 -0.04 0.00 0.00 63.50 61.73 3g1o n PRO 94 Cb 0.52 -1.51 -0.05 0.00 -0.04 0.00 0.00 33.50 32.42 3g1o n PRO 94 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3g1o n ALA 95 N 0.38 -0.01 -1.95 0.55 0.00 -1.26 -4.81 120.51 113.41 3g1o n ALA 95 Ca 0.25 0.11 -0.43 0.00 0.00 0.00 0.00 53.44 53.37 3g1o n ALA 95 Cb 0.65 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 3g1o n ALA 95 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3g1o s ASP 96 N 2.51 5.93 0.03 0.00 -4.77 -1.26 -4.88 116.67 114.23 3g1o s ASP 96 Ca 0.53 1.47 -0.28 0.00 -3.30 0.00 0.00 52.55 50.97 3g1o s ASP 96 Cb -0.68 -2.52 0.10 0.00 -1.09 0.00 0.00 42.92 38.73 3g1o s ASP 96 CO 0.31 -1.65 1.20 0.28 0.70 0.00 0.00 175.17 176.01 3g1o s THR 97 N 6.74 0.00 0.69 2.11 -1.32 -1.26 -5.15 115.64 117.45 3g1o s THR 97 Ca 0.82 -0.34 -0.11 0.00 -1.21 0.00 0.00 61.69 60.84 3g1o s THR 97 Cb -0.25 -2.15 0.01 0.00 -1.51 0.00 0.00 72.50 68.60 3g1o s THR 97 CO 0.34 0.00 1.08 1.51 -2.21 0.00 0.00 174.62 175.34 3g1o s ASP 98 N -3.08 5.56 0.28 8.08 1.47 -1.26 -4.92 116.67 122.81 3g1o s ASP 98 Ca 0.16 1.16 0.02 0.00 1.18 0.00 0.00 52.55 55.07 3g1o s ASP 98 Cb 0.03 -2.00 0.66 0.00 -0.34 0.00 0.00 42.92 41.26 3g1o s ASP 98 CO -0.02 -1.27 1.72 0.08 0.68 0.00 0.00 175.17 176.37 3g1o h ARG 99 N -0.60 0.46 -0.46 2.11 0.11 -2.00 -2.11 114.38 111.90 3g1o h ARG 99 Ca -0.45 -0.03 -0.06 0.00 0.10 0.00 0.00 59.98 59.55 3g1o h ARG 99 Cb 1.24 -0.10 -0.02 0.00 1.11 0.00 0.00 29.97 32.20 3g1o h ARG 99 CO 0.64 0.31 0.06 1.49 0.10 0.00 0.00 179.97 182.56 3g1o h GLU 100 N 0.48 0.77 -0.49 0.08 4.81 -1.99 -2.71 114.58 115.53 3g1o h GLU 100 Ca 0.52 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 59.49 3g1o h GLU 100 Cb 0.91 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 3g1o h GLU 100 CO -0.47 0.79 0.10 -0.97 -0.73 0.00 0.00 179.01 177.74 3g1o h ASN 101 N 0.63 0.70 -0.07 1.04 -1.24 -1.80 -2.19 115.58 112.64 3g1o h ASN 101 Ca 0.14 -0.12 0.01 0.00 0.71 0.00 0.00 56.30 57.03 3g1o h ASN 101 Cb 0.41 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 3g1o h ASN 101 CO 0.01 0.70 0.01 -0.03 -1.29 0.00 0.00 177.43 176.83 3g1o h MET 102 N 0.72 0.03 -0.36 6.67 4.05 -1.09 -1.12 114.93 123.83 3g1o h MET 102 Ca 0.16 -0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.42 3g1o h MET 102 Cb 0.30 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.08 3g1o h MET 102 CO 0.00 0.02 -0.40 -1.49 0.23 0.00 0.00 176.91 175.27 3g1o h TRP 103 N 0.03 1.08 -0.29 1.39 4.06 -1.43 -2.97 115.95 117.82 3g1o h TRP 103 Ca 0.03 -0.33 0.05 0.00 2.06 0.00 0.00 58.89 60.70 3g1o h TRP 103 Cb 0.03 -0.23 -0.05 0.00 -1.00 0.00 0.00 29.16 27.92 3g1o h TRP 103 CO -0.11 1.14 -0.02 -0.09 -3.56 0.00 0.00 178.44 175.81 3g1o h ARG 104 N 0.73 0.06 -0.18 0.49 2.43 -1.21 0.16 114.38 116.86 3g1o h ARG 104 Ca 0.06 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 3g1o h ARG 104 Cb 0.99 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 3g1o h ARG 104 CO 0.10 0.04 -0.15 1.79 -1.51 0.00 0.00 179.97 180.23 3g1o h THR 105 N 0.06 1.20 0.07 0.20 1.35 -1.20 0.16 112.91 114.76 3g1o h THR 105 Ca 0.14 -0.91 -0.00 0.00 -0.55 0.00 0.00 66.41 65.08 3g1o h THR 105 Cb 0.19 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 3g1o h THR 105 CO -0.25 0.29 -0.03 1.23 -0.25 0.00 0.00 175.52 176.50 3g1o h GLY 106 N 0.84 -0.10 0.30 5.82 0.00 -1.25 -2.59 103.07 106.09 3g1o h GLY 106 Ca 0.05 0.04 0.13 0.00 0.00 0.00 0.00 47.33 47.55 3g1o h GLY 106 CO 0.03 -0.04 0.41 -2.22 0.00 0.00 0.00 176.54 174.72 3g1o h ILE 107 N -0.64 0.76 -0.82 2.60 2.04 -0.59 -2.33 117.51 118.52 3g1o h ILE 107 Ca -0.01 -0.21 0.17 0.00 1.00 0.00 0.00 64.86 65.81 3g1o h ILE 107 Cb 0.53 0.10 -0.06 0.00 -0.74 0.00 0.00 36.82 36.65 3g1o h ILE 107 CO 0.02 0.11 0.55 -1.13 0.00 0.00 0.00 178.15 177.69 3g1o h ASN 108 N 0.61 0.42 -0.76 1.72 -0.00 -0.52 -0.41 115.58 116.64 3g1o h ASN 108 Ca 0.43 0.03 0.13 0.00 -0.00 0.00 0.00 56.30 56.89 3g1o h ASN 108 Cb 0.56 -0.05 -0.09 0.00 -0.00 0.00 0.00 38.32 38.74 3g1o h ASN 108 CO -0.34 0.20 0.34 0.58 -0.00 0.00 0.00 177.43 178.22 3g1o h VAL 109 N 0.44 0.72 0.11 2.57 2.07 -1.02 0.26 116.25 121.39 3g1o h VAL 109 Ca 0.41 -0.18 -0.17 0.00 0.82 0.00 0.00 66.70 67.59 3g1o h VAL 109 Cb 0.96 0.16 0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3g1o h VAL 109 CO -0.15 0.09 -0.73 -0.26 0.02 0.00 0.00 177.57 176.55 3g1o h PHE 110 N 0.52 0.53 -0.70 1.57 -1.00 -1.19 -1.66 116.94 115.01 3g1o h PHE 110 Ca 0.41 -0.37 0.15 0.00 2.81 0.00 0.00 57.97 60.97 3g1o h PHE 110 Cb 0.57 -0.03 -0.12 0.00 3.61 0.00 0.00 35.95 39.97 3g1o h PHE 110 CO -0.14 1.26 -0.01 0.35 -1.61 0.00 0.00 178.31 178.16 3g1o h PHE 111 N -0.34 -0.08 0.02 -0.55 3.04 -1.28 -1.69 116.94 116.06 3g1o h PHE 111 Ca -0.12 0.05 -0.08 0.00 3.98 0.00 0.00 57.97 61.80 3g1o h PHE 111 Cb 1.54 0.14 0.01 0.00 2.56 0.00 0.00 35.95 40.20 3g1o h PHE 111 CO 0.19 -0.22 -0.31 0.93 -2.02 0.00 0.00 178.31 176.88 3g1o h GLU 112 N 0.10 0.18 0.79 1.11 4.39 -0.95 -1.37 114.58 118.83 3g1o h GLU 112 Ca 0.37 -0.22 -0.04 0.00 0.34 0.00 0.00 59.36 59.82 3g1o h GLU 112 Cb 0.63 0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.36 3g1o h GLU 112 CO -0.62 0.98 -0.38 1.15 -1.16 0.00 0.00 179.01 178.99 3g1o h THR 113 N -0.53 0.00 -0.68 1.13 2.02 -1.25 -0.45 112.91 113.15 3g1o h THR 113 Ca -0.04 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 3g1o h THR 113 Cb 1.11 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 3g1o h THR 113 CO 0.06 0.00 0.24 -0.26 0.37 0.00 0.00 175.52 175.93 3g1o h PHE 114 N -1.07 1.04 0.00 3.16 -1.00 -1.48 -2.43 116.94 115.16 3g1o h PHE 114 Ca -0.11 -0.08 -0.01 0.00 2.81 0.00 0.00 57.97 60.58 3g1o h PHE 114 Cb 0.81 -0.31 -0.00 0.00 3.61 0.00 0.00 35.95 40.06 3g1o h PHE 114 CO 0.05 0.81 -0.05 0.78 -1.61 0.00 0.00 178.31 178.29 3g1o h GLY 115 N 1.07 0.00 -0.22 -1.45 0.00 -1.25 -1.54 103.07 99.67 3g1o h GLY 115 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3g1o h GLY 115 CO -0.01 0.00 -0.02 1.44 0.00 0.00 0.00 176.54 177.95 3g1o n SER 116 N -3.40 1.27 -2.89 0.19 7.64 -0.18 -4.22 113.62 112.03 3g1o n SER 116 Ca -0.02 -1.39 -0.12 0.00 1.01 0.00 0.00 58.87 58.35 3g1o n SER 116 Cb 0.18 0.01 0.03 0.00 -1.01 0.00 0.00 64.21 63.41 3g1o n SER 116 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3g1o n HIS 117 N -0.03 -0.40 -0.07 1.43 8.25 -0.60 -4.99 115.22 118.81 3g1o n HIS 117 Ca 0.19 -2.98 -0.05 0.00 -0.26 0.00 0.00 57.72 54.62 3g1o n HIS 117 Cb 0.32 0.20 0.16 0.00 1.12 0.00 0.00 29.99 31.79 3g1o n HIS 117 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3g1o h LYS 118 N 2.87 0.70 -0.04 -0.41 1.57 -1.68 -2.08 116.57 117.51 3g1o h LYS 118 Ca -0.04 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 3g1o h LYS 118 Cb 1.10 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 3g1o h LYS 118 CO 0.36 0.80 -0.01 0.00 -0.57 0.00 0.00 179.45 180.03 3g1o h ALA 119 N 1.23 0.05 -0.85 3.86 0.00 -1.90 0.10 119.26 121.76 3g1o h ALA 119 Ca 0.11 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3g1o h ALA 119 Cb 0.58 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3g1o h ALA 119 CO 0.04 -0.24 0.56 0.28 0.00 0.00 0.00 179.25 179.89 3g1o h VAL 120 N -0.30 1.20 -0.13 0.00 2.07 -1.90 0.14 116.25 117.34 3g1o h VAL 120 Ca 0.01 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 3g1o h VAL 120 Cb 0.42 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3g1o h VAL 120 CO 0.00 0.21 -0.03 0.74 0.02 0.00 0.00 177.57 178.51 3g1o h THR 121 N 1.13 1.28 0.42 2.57 2.02 -1.22 0.60 112.91 119.72 3g1o h THR 121 Ca 0.31 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 3g1o h THR 121 Cb -0.11 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 3g1o h THR 121 CO -0.07 0.27 -0.26 -0.09 0.37 0.00 0.00 175.52 175.74 3g1o h ARG 122 N -0.07 -0.63 -0.40 6.66 2.43 -0.35 -0.56 114.38 121.46 3g1o h ARG 122 Ca 0.03 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3g1o h ARG 122 Cb 0.44 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 3g1o h ARG 122 CO 0.01 -0.42 0.24 0.00 -1.51 0.00 0.00 179.97 178.29 3g1o h ALA 123 N -0.12 0.50 -0.92 2.80 0.00 -0.65 -1.86 119.26 119.01 3g1o h ALA 123 Ca -0.05 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3g1o h ALA 123 Cb 0.54 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3g1o h ALA 123 CO 0.04 -0.08 0.61 0.78 0.00 0.00 0.00 179.25 180.60 3g1o h GLY 124 N 0.50 1.30 0.85 0.00 0.00 0.26 0.31 103.07 106.27 3g1o h GLY 124 Ca 0.15 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 3g1o h GLY 124 CO -0.06 0.47 -0.00 1.46 0.00 0.00 0.00 176.54 178.41 3g1o h GLN 125 N 1.25 0.44 -0.55 4.80 1.08 -0.71 -2.99 115.11 118.43 3g1o h GLN 125 Ca 0.34 -0.14 -0.05 0.00 -1.45 0.00 0.00 58.65 57.35 3g1o h GLN 125 Cb -0.14 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.22 3g1o h GLN 125 CO -0.07 0.61 0.15 0.00 -0.95 0.00 0.00 178.83 178.57 3g1o h ALA 126 N 0.81 1.24 0.00 3.87 0.00 -1.12 -2.57 119.26 121.48 3g1o h ALA 126 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3g1o h ALA 126 Cb 0.42 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3g1o h ALA 126 CO 0.01 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.80 3g1o n ALA 127 N -2.46 1.38 0.21 0.00 0.00 0.08 -2.56 120.51 117.15 3g1o n ALA 127 Ca 0.04 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.51 3g1o n ALA 127 Cb 0.21 -1.12 0.51 0.00 0.00 0.00 0.00 19.45 19.05 3g1o n ALA 127 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3g1o h ARG 128 N 0.00 0.05 0.00 0.00 1.12 -1.38 -2.42 114.38 111.75 3g1o h ARG 128 Ca 0.00 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 3g1o h ARG 128 Cb 0.12 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.08 3g1o h ARG 128 CO 0.00 0.18 -0.25 0.00 -3.11 0.00 0.00 179.97 176.79 3g1o n ALA 129 N -2.51 2.83 -0.28 2.80 0.00 -1.06 -3.97 120.51 118.32 3g1o n ALA 129 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3g1o n ALA 129 Cb 0.21 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3g1o n ALA 129 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3g1o n THR 130 N -1.65 0.00 -3.63 0.00 -2.24 -1.15 -5.01 114.28 100.60 3g1o n THR 130 Ca 0.06 -0.23 -0.26 0.00 -2.27 0.00 0.00 64.05 61.35 3g1o n THR 130 Cb 0.36 1.28 -0.17 0.00 -2.10 0.00 0.00 70.33 69.70 3g1o n THR 130 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3g1o s SER 131 N -0.22 2.42 0.49 3.42 0.15 -0.92 -5.01 113.70 114.02 3g1o s SER 131 Ca 0.00 -0.64 0.25 0.00 0.70 0.00 0.00 55.95 56.26 3g1o s SER 131 Cb 0.00 -0.30 1.27 0.00 -1.71 0.00 0.00 66.02 65.28 3g1o s SER 131 CO 0.00 -0.34 2.01 -0.37 1.20 0.00 0.00 173.24 175.74 3g1o h VAL 132 N 6.44 0.67 -0.35 4.45 -1.51 -1.86 -0.50 116.25 123.58 3g1o h VAL 132 Ca -0.15 -0.70 -0.13 0.00 -1.23 0.00 0.00 66.70 64.49 3g1o h VAL 132 Cb 1.14 1.44 -0.01 0.00 -2.13 0.00 0.00 31.29 31.73 3g1o h VAL 132 CO 0.30 0.16 -0.29 -0.33 -1.23 0.00 0.00 177.57 176.17 3g1o h GLU 133 N 0.00 0.82 -0.34 5.19 3.07 -1.95 0.31 114.58 121.68 3g1o h GLU 133 Ca -0.00 -0.41 -0.07 0.00 -0.50 0.00 0.00 59.36 58.38 3g1o h GLU 133 Cb 0.42 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 3g1o h GLU 133 CO 0.02 1.05 -0.05 0.28 -1.40 0.00 0.00 179.01 178.91 3g1o h VAL 134 N 0.61 1.27 -0.72 3.13 2.07 -1.79 -0.95 116.25 119.86 3g1o h VAL 134 Ca 0.06 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 3g1o h VAL 134 Cb 0.87 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 3g1o h VAL 134 CO 0.08 0.35 0.45 0.00 0.02 0.00 0.00 177.57 178.46 3g1o h ALA 135 N 0.83 0.92 -0.09 1.67 0.00 -1.05 -1.91 119.26 119.63 3g1o h ALA 135 Ca 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3g1o h ALA 135 Cb 0.53 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3g1o h ALA 135 CO 0.03 0.38 0.03 1.49 0.00 0.00 0.00 179.25 181.18 3g1o h GLU 136 N 0.99 0.13 -0.20 0.00 4.81 -0.87 -1.70 114.58 117.74 3g1o h GLU 136 Ca 0.26 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.51 3g1o h GLU 136 Cb -0.05 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.26 3g1o h GLU 136 CO -0.05 0.29 -0.14 1.25 -0.73 0.00 0.00 179.01 179.62 3g1o h LEU 137 N -0.04 -0.46 -0.17 1.64 5.85 -0.96 0.13 115.31 121.29 3g1o h LEU 137 Ca 0.03 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 3g1o h LEU 137 Cb 0.21 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3g1o h LEU 137 CO -0.00 -0.18 0.09 -0.25 -0.34 0.00 0.00 178.44 177.76 3g1o h TRP 138 N -0.14 0.23 -0.55 1.25 2.91 -1.34 -2.61 115.95 115.69 3g1o h TRP 138 Ca 0.12 -0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.24 3g1o h TRP 138 Cb 0.32 -0.07 -0.08 0.00 -0.51 0.00 0.00 29.16 28.81 3g1o h TRP 138 CO -0.30 0.22 0.09 1.03 -1.03 0.00 0.00 178.44 178.45 3g1o h SER 139 N 0.17 -0.06 0.31 2.65 0.87 -0.96 0.14 113.55 116.68 3g1o h SER 139 Ca 0.06 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 3g1o h SER 139 Cb 0.06 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 3g1o h SER 139 CO -0.01 -0.01 -0.26 0.74 -0.53 0.00 0.00 176.83 176.76 3g1o h THR 140 N 0.22 0.44 -0.42 2.23 2.02 -0.49 -0.34 112.91 116.57 3g1o h THR 140 Ca 0.29 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.34 3g1o h THR 140 Cb 0.42 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3g1o h THR 140 CO -0.39 0.00 -0.25 -0.26 0.37 0.00 0.00 175.52 174.99 3g1o h PHE 141 N -0.59 1.01 -0.80 3.16 -1.00 -1.37 -1.92 116.94 115.43 3g1o h PHE 141 Ca -0.02 -0.25 0.07 0.00 2.81 0.00 0.00 57.97 60.59 3g1o h PHE 141 Cb 0.53 -0.23 -0.06 0.00 3.61 0.00 0.00 35.95 39.79 3g1o h PHE 141 CO -0.15 1.03 0.47 0.52 -1.61 0.00 0.00 178.31 178.57 3g1o h MET 142 N 0.75 0.82 -0.45 1.51 2.86 -0.59 -0.16 114.93 119.67 3g1o h MET 142 Ca 0.10 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 3g1o h MET 142 Cb 0.80 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 3g1o h MET 142 CO 0.07 0.54 0.27 1.96 1.06 0.00 0.00 176.91 180.81 3g1o h GLN 143 N 0.85 0.52 -0.16 1.72 4.20 -0.61 -1.44 115.11 120.19 3g1o h GLN 143 Ca 0.36 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 59.06 3g1o h GLN 143 Cb 0.24 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3g1o h GLN 143 CO -0.20 0.35 0.06 -0.22 -0.67 0.00 0.00 178.83 178.15 3g1o h LYS 144 N 0.54 0.14 -0.52 1.46 3.64 -0.86 -1.74 116.57 119.23 3g1o h LYS 144 Ca 0.18 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.43 3g1o h LYS 144 Cb 0.01 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3g1o h LYS 144 CO -0.08 0.09 -0.13 -1.49 -2.27 0.00 0.00 179.45 175.58 3g1o h TRP 145 N 0.15 1.12 -0.31 1.91 6.55 -0.81 -1.71 115.95 122.84 3g1o h TRP 145 Ca 0.07 -0.23 -0.00 0.00 0.95 0.00 0.00 58.89 59.67 3g1o h TRP 145 Cb 0.03 -0.27 -0.01 0.00 -0.86 0.00 0.00 29.16 28.04 3g1o h TRP 145 CO -0.10 1.04 0.18 0.82 -1.05 0.00 0.00 178.44 179.34 3g1o h ILE 146 N 0.88 1.11 -0.40 1.49 2.04 -1.20 -1.64 117.51 119.80 3g1o h ILE 146 Ca 0.13 -0.27 0.05 0.00 1.00 0.00 0.00 64.86 65.77 3g1o h ILE 146 Cb 0.69 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 3g1o h ILE 146 CO 0.05 0.11 0.14 0.00 0.00 0.00 0.00 178.15 178.45 3g1o h ALA 147 N 1.07 0.47 -0.78 1.87 0.00 -1.06 0.12 119.26 120.94 3g1o h ALA 147 Ca 0.11 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3g1o h ALA 147 Cb 0.02 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3g1o h ALA 147 CO -0.02 -0.25 0.37 -0.92 0.00 0.00 0.00 179.25 178.43 3g1o h TYR 148 N 0.30 1.12 -0.33 0.00 3.20 -1.26 0.71 116.97 120.71 3g1o h TYR 148 Ca 0.18 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 3g1o h TYR 148 Cb 0.16 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 3g1o h TYR 148 CO -0.15 0.82 0.07 1.15 -1.64 0.00 0.00 178.16 178.41 3g1o h THR 149 N 1.11 1.23 -0.59 1.81 2.02 -0.70 -1.84 112.91 115.95 3g1o h THR 149 Ca 0.27 -0.77 -0.08 0.00 0.77 0.00 0.00 66.41 66.60 3g1o h THR 149 Cb 0.12 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 3g1o h THR 149 CO -0.03 0.26 0.05 0.00 0.37 0.00 0.00 175.52 176.16 3g1o h ALA 150 N 0.91 0.97 -1.00 6.16 0.00 -0.52 -0.97 119.26 124.81 3g1o h ALA 150 Ca 0.10 -0.28 0.10 0.00 0.00 0.00 0.00 54.91 54.83 3g1o h ALA 150 Cb 0.31 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 3g1o h ALA 150 CO 0.00 0.64 0.64 0.00 0.00 0.00 0.00 179.25 180.52 3g1o h ALA 151 N 1.12 1.49 -0.03 0.00 0.00 -0.68 0.25 119.26 121.41 3g1o h ALA 151 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3g1o h ALA 151 Cb 0.47 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.02 3g1o h ALA 151 CO 0.02 0.30 -0.44 0.28 0.00 0.00 0.00 179.25 179.41 3g1o h VAL 152 N 1.06 1.45 -0.76 0.00 2.07 -1.00 -1.98 116.25 117.08 3g1o h VAL 152 Ca 0.47 -1.94 0.07 0.00 0.82 0.00 0.00 66.70 66.12 3g1o h VAL 152 Cb 0.37 2.52 -0.06 0.00 -1.52 0.00 0.00 31.29 32.60 3g1o h VAL 152 CO -0.23 0.56 0.44 0.40 0.02 0.00 0.00 177.57 178.76 3g1o h ILE 153 N -0.18 0.97 -0.40 4.57 2.04 -1.07 -0.81 117.51 122.63 3g1o h ILE 153 Ca -0.05 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.57 3g1o h ILE 153 Cb 1.14 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3g1o h ILE 153 CO 0.09 0.14 0.23 0.44 0.00 0.00 0.00 178.15 179.05 3g1o h ASP 154 N 0.78 0.35 -0.21 1.72 3.45 -0.91 -0.86 116.42 120.75 3g1o h ASP 154 Ca 0.35 0.01 0.05 0.00 0.43 0.00 0.00 57.03 57.86 3g1o h ASP 154 Cb 0.24 -0.06 -0.05 0.00 -0.56 0.00 0.00 39.33 38.90 3g1o h ASP 154 CO -0.20 0.26 -0.09 0.00 -1.57 0.00 0.00 179.24 177.64 3g1o h ALA 155 N 1.19 0.09 -0.81 3.45 0.00 -0.78 0.31 119.26 122.70 3g1o h ALA 155 Ca 0.16 0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.29 3g1o h ALA 155 Cb 0.03 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 17.95 3g1o h ALA 155 CO -0.09 -0.51 0.40 0.93 0.00 0.00 0.00 179.25 179.98 3g1o h GLU 156 N -0.06 0.57 -0.19 0.00 4.39 -0.96 -1.65 114.58 116.68 3g1o h GLU 156 Ca 0.11 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 3g1o h GLU 156 Cb 0.22 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3g1o h GLU 156 CO -0.25 0.37 -0.01 0.00 -1.16 0.00 0.00 179.01 177.97 3g1o h ARG 157 N 0.58 0.35 -0.76 2.33 3.08 -0.50 0.69 114.38 120.15 3g1o h ARG 157 Ca 0.44 -0.11 0.16 0.00 0.07 0.00 0.00 59.98 60.54 3g1o h ARG 157 Cb 0.62 -0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.53 3g1o h ARG 157 CO -0.36 0.56 0.21 -0.44 -1.07 0.00 0.00 179.97 178.87 3g1o h ASP 158 N 0.10 0.08 -0.12 7.04 3.45 -0.49 -1.21 116.42 125.26 3g1o h ASP 158 Ca 0.05 0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.66 3g1o h ASP 158 Cb 0.41 0.18 0.00 0.00 -0.56 0.00 0.00 39.33 39.36 3g1o h ASP 158 CO 0.01 -0.02 0.00 -2.11 -1.57 0.00 0.00 179.24 175.55 3g1o n ARG 159 N -5.13 1.39 -1.26 3.56 1.85 -0.66 -4.88 116.66 111.53 3g1o n ARG 159 Ca 0.15 -0.59 -0.08 0.00 -1.00 0.00 0.00 57.85 56.33 3g1o n ARG 159 Cb 0.48 -1.27 -0.03 0.00 -1.05 0.00 0.00 32.46 30.58 3g1o n ARG 159 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3g1o n GLY 160 N 0.90 0.97 0.11 2.89 0.00 -0.46 -4.92 105.19 104.69 3g1o n GLY 160 Ca 0.12 -0.68 0.01 0.00 0.00 0.00 0.00 46.02 45.47 3g1o n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1o h ALA 161 N 0.01 0.65 -3.92 4.61 0.00 -1.06 -3.47 119.26 116.07 3g1o h ALA 161 Ca -0.16 -0.69 -0.35 0.00 0.00 0.00 0.00 54.91 53.70 3g1o h ALA 161 Cb 0.54 0.15 -0.29 0.00 0.00 0.00 0.00 17.79 18.19 3g1o h ALA 161 CO 0.24 0.79 -0.76 0.00 0.00 0.00 0.00 179.25 179.52 3g1o s ALA 162 N -2.95 0.56 0.53 0.00 0.00 -1.02 -4.94 121.76 113.93 3g1o s ALA 162 Ca -0.01 -0.27 -0.17 0.00 0.00 0.00 0.00 51.96 51.51 3g1o s ALA 162 Cb 0.08 -0.16 -0.07 0.00 0.00 0.00 0.00 23.12 22.98 3g1o s ALA 162 CO 0.79 0.13 1.00 -1.25 0.00 0.00 0.00 175.76 176.43 3g1o s PRO 163 N -0.09 3.80 -1.14 0.00 0.04 -1.26 -4.24 135.00 132.10 3g1o s PRO 163 Ca 0.02 1.06 -0.20 0.00 0.04 0.00 0.00 61.00 61.92 3g1o s PRO 163 Cb -0.03 -2.11 0.07 0.00 0.04 0.00 0.00 34.50 32.47 3g1o s PRO 163 CO -0.00 -0.40 1.55 1.03 0.04 0.00 0.00 177.00 179.22 3g1o s ARG 164 N -3.93 3.79 0.00 4.56 0.52 -1.26 -4.82 118.95 117.80 3g1o s ARG 164 Ca 0.61 -1.62 0.00 0.00 -0.52 0.00 0.00 55.73 54.20 3g1o s ARG 164 Cb -0.12 -5.39 0.00 0.00 0.52 0.00 0.00 34.95 29.96 3g1o s ARG 164 CO 0.30 -2.18 0.00 0.25 0.02 0.00 0.00 175.30 173.69 3g1o n THR 165 N 6.47 0.00 -1.57 0.02 -2.24 -1.26 -5.05 114.28 110.65 3g1o n THR 165 Ca 0.39 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.83 3g1o n THR 165 Cb 0.48 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.79 3g1o n THR 165 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3g1o s LEU 166 N 0.00 3.39 0.07 3.22 1.43 -1.26 -4.93 118.68 120.60 3g1o s LEU 166 Ca 0.00 2.33 -0.37 0.00 -1.03 0.00 0.00 54.13 55.07 3g1o s LEU 166 Cb 0.00 -4.59 -0.17 0.00 0.03 0.00 0.00 46.19 41.47 3g1o s LEU 166 CO 0.00 -2.08 1.36 -2.65 0.23 0.00 0.00 176.35 173.21 3g1o n PRO 167 N -2.48 1.17 -0.10 1.29 -0.02 -1.26 -4.84 135.00 128.77 3g1o n PRO 167 Ca 0.13 0.42 -0.03 0.00 -2.02 0.00 0.00 63.50 62.01 3g1o n PRO 167 Cb 0.50 -2.07 0.20 0.00 -0.02 0.00 0.00 33.50 32.11 3g1o n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g1o h ALA 168 N 4.71 1.19 -0.09 3.55 0.00 -1.93 -1.29 119.26 125.39 3g1o h ALA 168 Ca -0.48 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.05 3g1o h ALA 168 Cb 1.33 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3g1o h ALA 168 CO 0.79 0.54 -0.60 1.25 0.00 0.00 0.00 179.25 181.22 3g1o h HIS 169 N 0.72 0.40 -0.24 0.00 -0.00 -1.89 0.13 115.15 114.27 3g1o h HIS 169 Ca 0.15 -0.15 -0.08 0.00 -0.00 0.00 0.00 60.37 60.28 3g1o h HIS 169 Cb 0.37 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.70 3g1o h HIS 169 CO 0.02 0.84 -0.17 0.93 -0.00 0.00 0.00 177.93 179.54 3g1o h GLU 170 N 0.23 0.54 -0.41 5.26 5.08 -1.86 -1.13 114.58 122.29 3g1o h GLU 170 Ca -0.01 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3g1o h GLU 170 Cb 1.12 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 3g1o h GLU 170 CO 0.10 0.84 0.25 1.25 -1.00 0.00 0.00 179.01 180.45 3g1o h LEU 171 N 0.25 0.49 -1.05 1.33 5.85 -1.17 -2.51 115.31 118.51 3g1o h LEU 171 Ca 0.05 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 3g1o h LEU 171 Cb 0.70 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3g1o h LEU 171 CO 0.05 0.40 -0.06 0.00 -0.34 0.00 0.00 178.44 178.48 3g1o h ALA 172 N 1.12 1.21 0.28 1.25 0.00 -0.70 -1.91 119.26 120.51 3g1o h ALA 172 Ca 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3g1o h ALA 172 Cb -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3g1o h ALA 172 CO -0.03 0.52 -0.14 1.15 0.00 0.00 0.00 179.25 180.75 3g1o h THR 173 N 0.57 0.75 -0.55 0.00 2.02 -0.85 -1.84 112.91 113.01 3g1o h THR 173 Ca 0.11 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 3g1o h THR 173 Cb 0.45 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 3g1o h THR 173 CO 0.02 0.05 0.17 0.00 0.37 0.00 0.00 175.52 176.14 3g1o h ALA 174 N 0.17 1.28 -0.41 6.16 0.00 -1.34 -0.27 119.26 124.84 3g1o h ALA 174 Ca -0.04 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 3g1o h ALA 174 Cb 0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3g1o h ALA 174 CO 0.06 0.52 -0.26 -0.07 0.00 0.00 0.00 179.25 179.51 3g1o h LEU 175 N 0.80 0.93 -0.43 0.00 3.38 -1.19 0.09 115.31 118.89 3g1o h LEU 175 Ca 0.18 -0.42 -0.15 0.00 0.09 0.00 0.00 57.88 57.57 3g1o h LEU 175 Cb 0.23 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3g1o h LEU 175 CO -0.01 1.15 -0.35 0.78 0.09 0.00 0.00 178.44 180.10 3g1o h ASN 176 N 0.71 0.99 -0.82 -0.43 2.35 -1.05 -1.67 115.58 115.66 3g1o h ASN 176 Ca 0.08 -0.44 0.06 0.00 -0.55 0.00 0.00 56.30 55.45 3g1o h ASN 176 Cb 0.83 -0.28 -0.06 0.00 0.05 0.00 0.00 38.32 38.86 3g1o h ASN 176 CO 0.07 1.23 0.50 -0.07 -1.65 0.00 0.00 177.43 177.52 3g1o h LEU 177 N 0.77 0.78 -0.52 1.61 3.38 -1.03 -0.82 115.31 119.49 3g1o h LEU 177 Ca 0.07 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.14 3g1o h LEU 177 Cb 0.94 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 3g1o h LEU 177 CO 0.09 0.50 0.17 -0.03 0.09 0.00 0.00 178.44 179.27 3g1o h MET 178 N 0.92 0.33 -0.45 1.13 4.05 -0.71 -2.10 114.93 118.10 3g1o h MET 178 Ca 0.36 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.70 3g1o h MET 178 Cb 0.17 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 3g1o h MET 178 CO -0.17 0.22 0.06 -0.91 0.23 0.00 0.00 176.91 176.34 3g1o h ASN 179 N 0.34 0.73 0.28 1.39 4.21 -0.90 0.16 115.58 121.80 3g1o h ASN 179 Ca 0.26 -0.27 -0.01 0.00 1.21 0.00 0.00 56.30 57.49 3g1o h ASN 179 Cb 0.30 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.30 3g1o h ASN 179 CO -0.28 0.82 -0.24 -0.08 -1.29 0.00 0.00 177.43 176.36 3g1o h GLU 180 N 0.62 -0.49 -0.53 0.81 4.81 -0.92 0.46 114.58 119.33 3g1o h GLU 180 Ca 0.14 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.48 3g1o h GLU 180 Cb 0.41 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.83 3g1o h GLU 180 CO 0.01 -0.33 0.14 -0.09 -0.73 0.00 0.00 179.01 178.01 3g1o h ARG 181 N -0.51 0.28 -0.04 1.92 9.65 -1.35 -1.61 114.38 122.71 3g1o h ARG 181 Ca -0.04 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.78 3g1o h ARG 181 Cb 0.43 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 3g1o h ARG 181 CO -0.01 0.18 -0.14 1.15 2.80 0.00 0.00 179.97 183.96 3g1o h THR 182 N 0.29 1.46 -0.21 0.20 2.02 -0.63 -0.34 112.91 115.69 3g1o h THR 182 Ca 0.26 -1.55 -0.00 0.00 0.77 0.00 0.00 66.41 65.89 3g1o h THR 182 Cb 0.34 2.37 -0.01 0.00 -1.74 0.00 0.00 68.15 69.11 3g1o h THR 182 CO -0.32 0.43 0.13 -0.07 0.37 0.00 0.00 175.52 176.06 3g1o h LEU 183 N -0.38 0.26 -0.52 2.58 3.38 -0.91 -1.86 115.31 117.86 3g1o h LEU 183 Ca -0.00 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 3g1o h LEU 183 Cb 0.76 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3g1o h LEU 183 CO 0.03 0.24 -0.03 -0.26 0.09 0.00 0.00 178.44 178.51 3g1o h PHE 184 N 0.25 1.04 -0.87 1.13 0.04 -1.30 -1.37 116.94 115.86 3g1o h PHE 184 Ca 0.08 -0.19 0.11 0.00 2.80 0.00 0.00 57.97 60.76 3g1o h PHE 184 Cb 0.04 -0.27 -0.08 0.00 2.20 0.00 0.00 35.95 37.84 3g1o h PHE 184 CO -0.04 0.96 0.51 0.00 -0.60 0.00 0.00 178.31 179.14 3g1o h ALA 185 N 0.93 1.28 -0.35 2.45 0.00 -1.03 -2.48 119.26 120.06 3g1o h ALA 185 Ca 0.14 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3g1o h ALA 185 Cb 0.57 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3g1o h ALA 185 CO 0.03 0.11 0.06 0.77 0.00 0.00 0.00 179.25 180.22 3g1o h SER 186 N 0.83 0.56 -0.59 0.00 0.02 -0.82 -0.33 113.55 113.22 3g1o h SER 186 Ca 0.43 -0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 3g1o h SER 186 Cb 0.43 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 3g1o h SER 186 CO -0.27 0.67 0.24 -0.26 -1.14 0.00 0.00 176.83 176.08 3g1o h PHE 187 N 0.42 0.92 -0.00 3.45 0.05 -1.00 -1.36 116.94 119.42 3g1o h PHE 187 Ca 0.11 -0.06 0.00 0.00 3.82 0.00 0.00 57.97 61.84 3g1o h PHE 187 Cb 0.35 -0.28 0.00 0.00 2.00 0.00 0.00 35.95 38.02 3g1o h PHE 187 CO 0.02 0.71 -0.05 0.00 -0.18 0.00 0.00 178.31 178.82 3g1o n ALA 188 N -2.45 2.67 -3.92 2.45 0.00 -0.96 -4.94 120.51 113.37 3g1o n ALA 188 Ca 0.05 -0.25 -0.26 0.00 0.00 0.00 0.00 53.44 52.99 3g1o n ALA 188 Cb 0.18 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 3g1o n ALA 188 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g1o n GLY 189 N 1.18 -0.26 3.75 0.00 0.00 -0.51 -4.97 105.19 104.38 3g1o n GLY 189 Ca 0.18 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 46.01 3g1o n GLY 189 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g1o s GLU 190 N -6.47 2.45 -0.32 1.61 2.02 -0.17 -4.95 118.70 112.86 3g1o s GLU 190 Ca 0.09 1.50 -0.07 0.00 0.02 0.00 0.00 54.97 56.51 3g1o s GLU 190 Cb -0.05 -1.90 0.02 0.00 0.10 0.00 0.00 34.13 32.31 3g1o s GLU 190 CO 0.87 -1.54 0.10 -1.14 0.02 0.00 0.00 175.26 173.57 3g1o s GLN 191 N -4.12 2.90 0.35 1.61 2.00 -1.26 -2.43 119.66 118.71 3g1o s GLN 191 Ca 0.69 -0.99 -0.16 0.00 -2.00 0.00 0.00 55.36 52.90 3g1o s GLN 191 Cb -0.23 -3.43 -0.09 0.00 0.80 0.00 0.00 33.01 30.05 3g1o s GLN 191 CO 0.45 -0.54 0.78 -1.25 -0.50 0.00 0.00 175.29 174.23 3g1o s PRO 192 N 1.47 4.06 0.17 1.67 0.04 -1.26 -5.21 135.00 135.93 3g1o s PRO 192 Ca 0.01 0.77 -0.18 0.00 0.04 0.00 0.00 61.00 61.64 3g1o s PRO 192 Cb -0.18 -2.38 0.04 0.00 0.04 0.00 0.00 34.50 32.02 3g1o s PRO 192 CO 0.03 0.11 0.50 -1.54 0.04 0.00 0.00 177.00 176.14 3g1o s SER 193 N -2.25 -0.30 -0.02 6.66 1.04 -1.02 -4.94 113.70 112.88 3g1o s SER 193 Ca 0.56 -0.36 -0.25 0.00 0.48 0.00 0.00 55.95 56.38 3g1o s SER 193 Cb -0.10 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 3g1o s SER 193 CO 0.16 -0.98 0.75 -0.69 0.98 0.00 0.00 173.24 173.46 3g1o s VAL 194 N -3.83 4.91 0.39 5.02 1.01 -1.26 -5.02 120.40 121.62 3g1o s VAL 194 Ca 0.06 1.57 -0.27 0.00 0.00 0.00 0.00 61.98 63.35 3g1o s VAL 194 Cb -0.00 -4.09 -0.11 0.00 0.00 0.00 0.00 36.38 32.18 3g1o s VAL 194 CO -0.07 0.29 1.32 -2.65 0.00 0.00 0.00 175.10 173.99 3g1o n PRO 195 N 3.41 2.12 -0.29 2.72 -0.02 -1.26 -4.51 135.00 137.17 3g1o n PRO 195 Ca -0.01 0.75 0.10 0.00 -2.02 0.00 0.00 63.50 62.32 3g1o n PRO 195 Cb 0.51 -2.43 0.33 0.00 -0.02 0.00 0.00 33.50 31.90 3g1o n PRO 195 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3g1o h GLU 196 N 2.36 0.77 0.00 -0.52 4.81 -1.96 0.39 114.58 120.42 3g1o h GLU 196 Ca -0.48 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3g1o h GLU 196 Cb 1.28 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3g1o h GLU 196 CO 0.61 0.51 0.00 0.00 -0.73 0.00 0.00 179.01 179.40 3g1o n ALA 197 N -2.41 1.73 0.07 2.92 0.00 -1.26 -3.16 120.51 118.41 3g1o n ALA 197 Ca 0.17 -0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.57 3g1o n ALA 197 Cb 0.41 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 3g1o n ALA 197 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3g1o n ARG 198 N -1.33 3.06 -0.14 0.00 5.12 0.13 -4.80 116.66 118.70 3g1o n ARG 198 Ca 0.06 -0.01 -0.03 0.00 -1.93 0.00 0.00 57.85 55.94 3g1o n ARG 198 Cb 0.11 -0.86 0.20 0.00 -1.16 0.00 0.00 32.46 30.75 3g1o n ARG 198 CO 0.00 0.00 0.00 -0.24 -1.93 0.00 0.00 177.63 175.46 3g1o h VAL 199 N 0.00 1.22 0.10 1.55 3.04 -1.27 -1.92 116.25 118.97 3g1o h VAL 199 Ca 0.00 -0.77 -0.01 0.00 -1.01 0.00 0.00 66.70 64.92 3g1o h VAL 199 Cb 0.11 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 30.01 3g1o h VAL 199 CO 0.00 0.29 -0.05 0.25 -1.01 0.00 0.00 177.57 177.05 3g1o h LEU 200 N 0.82 -0.12 -0.96 3.16 6.46 -1.87 -1.41 115.31 121.39 3g1o h LEU 200 Ca 0.18 -0.18 0.07 0.00 -0.12 0.00 0.00 57.88 57.84 3g1o h LEU 200 Cb 0.25 0.03 -0.07 0.00 -0.73 0.00 0.00 40.66 40.15 3g1o h LEU 200 CO -0.01 0.12 0.61 0.44 -0.62 0.00 0.00 178.44 178.98 3g1o h ASP 201 N -0.35 0.95 0.50 1.25 3.45 -1.88 -0.66 116.42 119.67 3g1o h ASP 201 Ca -0.01 0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 3g1o h ASP 201 Cb 0.29 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 38.88 3g1o h ASP 201 CO 0.02 0.59 -0.24 0.74 -1.57 0.00 0.00 179.24 178.79 3g1o h THR 202 N 1.08 0.47 -0.67 0.35 2.02 -1.14 -1.95 112.91 113.07 3g1o h THR 202 Ca 0.42 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 67.36 3g1o h THR 202 Cb 0.22 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 3g1o h THR 202 CO -0.19 0.04 0.44 -0.07 0.37 0.00 0.00 175.52 176.11 3g1o h LEU 203 N -0.83 0.78 -0.55 2.58 3.38 -1.15 -2.68 115.31 116.84 3g1o h LEU 203 Ca -0.07 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3g1o h LEU 203 Cb 0.58 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3g1o h LEU 203 CO 0.11 0.57 0.18 0.58 0.09 0.00 0.00 178.44 179.97 3g1o h VAL 204 N 0.91 1.24 -0.20 1.22 2.07 -1.13 -0.96 116.25 119.39 3g1o h VAL 204 Ca 0.25 -0.79 0.06 0.00 0.82 0.00 0.00 66.70 67.03 3g1o h VAL 204 Cb -0.09 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 3g1o h VAL 204 CO -0.05 0.30 -0.25 -0.74 0.02 0.00 0.00 177.57 176.84 3g1o h HIS 205 N 0.77 -0.67 -0.40 1.57 -0.00 -1.16 -0.55 115.15 114.71 3g1o h HIS 205 Ca 0.18 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.56 3g1o h HIS 205 Cb 0.27 0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 27.99 3g1o h HIS 205 CO 0.02 -0.33 0.17 0.82 -0.00 0.00 0.00 177.93 178.61 3g1o h ILE 206 N -0.28 1.19 0.12 6.26 2.04 -1.29 -0.46 117.51 125.09 3g1o h ILE 206 Ca 0.12 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.41 3g1o h ILE 206 Cb 0.47 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 3g1o h ILE 206 CO -0.36 0.21 -0.25 -0.50 0.00 0.00 0.00 178.15 177.25 3g1o h TRP 207 N 0.51 -0.68 -0.44 1.37 4.06 -1.02 -1.52 115.95 118.22 3g1o h TRP 207 Ca 0.13 0.01 -0.03 0.00 2.06 0.00 0.00 58.89 61.07 3g1o h TRP 207 Cb 0.18 0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 28.60 3g1o h TRP 207 CO -0.00 -0.36 0.17 0.28 -3.56 0.00 0.00 178.44 174.97 3g1o h VAL 208 N -0.46 1.20 -0.51 1.49 2.07 -0.90 0.66 116.25 119.81 3g1o h VAL 208 Ca 0.03 -0.64 -0.13 0.00 0.82 0.00 0.00 66.70 66.79 3g1o h VAL 208 Cb 0.49 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3g1o h VAL 208 CO -0.15 0.23 -0.17 0.71 0.02 0.00 0.00 177.57 178.22 3g1o h THR 209 N 0.57 1.27 -0.05 2.57 1.35 -1.11 0.16 112.91 117.67 3g1o h THR 209 Ca 0.15 -1.34 -0.17 0.00 -0.55 0.00 0.00 66.41 64.50 3g1o h THR 209 Cb 0.20 1.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.67 3g1o h THR 209 CO -0.01 0.47 -0.72 0.77 -0.25 0.00 0.00 175.52 175.77 3g1o h SER 210 N 0.88 0.31 -0.07 5.36 4.64 -1.21 -0.03 113.55 123.43 3g1o h SER 210 Ca 0.12 -0.21 -0.15 0.00 -0.47 0.00 0.00 61.79 61.08 3g1o h SER 210 Cb 0.75 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.75 3g1o h SER 210 CO 0.06 0.93 -0.54 0.40 -0.87 0.00 0.00 176.83 176.81 3g1o h ILE 211 N 0.18 1.38 0.00 0.95 2.04 -0.81 -3.38 117.51 117.87 3g1o h ILE 211 Ca -0.02 -1.90 0.00 0.00 1.00 0.00 0.00 64.86 63.94 3g1o h ILE 211 Cb 1.28 2.30 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 3g1o h ILE 211 CO 0.11 0.57 -1.29 -1.22 0.00 0.00 0.00 178.15 176.32 3g1o n TYR 212 N -4.22 0.18 -2.56 1.37 4.02 0.04 -4.36 117.16 111.62 3g1o n TYR 212 Ca -0.09 0.05 -0.42 0.00 -0.01 0.00 0.00 57.90 57.44 3g1o n TYR 212 Cb 0.62 -0.40 -0.03 0.00 -0.02 0.00 0.00 39.34 39.51 3g1o n TYR 212 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3g1o s GLY 213 N -3.80 2.73 -0.09 2.72 0.00 -0.03 -4.54 107.32 104.31 3g1o s GLY 213 Ca 0.01 0.72 -0.20 0.00 0.00 0.00 0.00 44.72 45.25 3g1o s GLY 213 CO 0.84 1.78 0.71 -2.09 0.00 0.00 0.00 173.10 174.34 3g1o h GLU 214 N 6.23 -0.08 0.00 2.90 4.57 -1.93 -3.46 114.58 122.81 3g1o h GLU 214 Ca -0.42 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 3g1o h GLU 214 Cb 1.21 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 3g1o h GLU 214 CO 0.76 0.48 0.00 -1.71 -1.18 0.00 0.00 179.01 177.36