#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2weq s SER 3 N 0.00 7.24 0.02 0.00 0.01 -1.26 -4.70 113.70 115.01 2weq s SER 3 Ca 0.00 1.78 -0.03 0.00 1.31 0.00 0.00 55.95 59.01 2weq s SER 3 Cb 0.00 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 2weq s SER 3 CO 0.00 -0.13 0.22 -1.61 0.41 0.00 0.00 173.24 172.13 2weq s GLU 4 N -2.30 3.48 -0.07 12.44 2.02 -0.70 -4.96 118.70 128.61 2weq s GLU 4 Ca 0.52 -0.27 0.01 0.00 0.02 0.00 0.00 54.97 55.25 2weq s GLU 4 Cb -0.16 -3.06 -0.03 0.00 0.10 0.00 0.00 34.13 30.98 2weq s GLU 4 CO 0.21 0.64 -0.10 0.99 0.02 0.00 0.00 175.26 177.03 2weq s THR 5 N -1.38 3.44 0.13 3.63 2.01 -1.26 -1.20 115.64 121.01 2weq s THR 5 Ca 0.30 -0.57 0.08 0.00 0.31 0.00 0.00 61.69 61.81 2weq s THR 5 Cb -0.13 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 2weq s THR 5 CO 0.20 0.58 -0.19 -0.36 -0.69 0.00 0.00 174.62 174.16 2weq s PHE 6 N -0.62 1.78 -0.10 4.92 0.40 0.19 -5.01 117.98 119.54 2weq s PHE 6 Ca 0.09 -0.45 -0.10 0.00 -0.60 0.00 0.00 56.93 55.88 2weq s PHE 6 Cb -0.11 -0.94 -0.05 0.00 0.51 0.00 0.00 43.02 42.43 2weq s PHE 6 CO 0.02 0.26 0.21 -1.21 0.70 0.00 0.00 175.22 175.19 2weq s GLU 7 N -2.32 3.68 0.30 0.44 0.41 -1.26 -1.20 118.70 118.76 2weq s GLU 7 Ca 0.10 0.00 -0.29 0.00 -0.41 0.00 0.00 54.97 54.37 2weq s GLU 7 Cb -0.08 -3.24 -0.10 0.00 -1.78 0.00 0.00 34.13 28.93 2weq s GLU 7 CO 0.05 0.67 1.19 -0.06 -0.49 0.00 0.00 175.26 176.62 2weq s PHE 8 N -0.79 3.35 0.50 1.61 0.40 -0.37 -4.39 117.98 118.29 2weq s PHE 8 Ca 0.16 1.58 -0.21 0.00 -0.60 0.00 0.00 56.93 57.86 2weq s PHE 8 Cb -0.13 -3.46 -0.10 0.00 0.51 0.00 0.00 43.02 39.85 2weq s PHE 8 CO 0.05 -1.12 0.71 0.94 0.70 0.00 0.00 175.22 176.51 2weq n GLN 9 N 1.02 0.79 0.13 0.44 0.00 0.15 -4.76 117.38 115.15 2weq n GLN 9 Ca -0.01 0.29 -0.02 0.00 -0.00 0.00 0.00 57.00 57.27 2weq n GLN 9 Cb 0.43 -1.80 0.20 0.00 0.00 0.00 0.00 30.24 29.07 2weq n GLN 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2weq h ALA 10 N 0.75 1.04 0.00 1.69 0.00 -1.93 -2.22 119.26 118.58 2weq h ALA 10 Ca -0.44 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 53.91 2weq h ALA 10 Cb 1.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2weq h ALA 10 CO 0.51 0.69 -0.28 0.93 0.00 0.00 0.00 179.25 181.10 2weq h GLU 11 N 0.06 0.00 -0.11 0.00 3.07 -1.98 -2.63 114.58 112.99 2weq h GLU 11 Ca -0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 2weq h GLU 11 Cb 0.99 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.90 2weq h GLU 11 CO 0.08 0.28 -0.07 0.82 -1.40 0.00 0.00 179.01 178.72 2weq h ILE 12 N 0.00 1.33 -0.56 3.13 2.04 -1.76 0.21 117.51 121.90 2weq h ILE 12 Ca -0.00 -1.12 0.09 0.00 1.00 0.00 0.00 64.86 64.83 2weq h ILE 12 Cb 0.98 1.84 -0.07 0.00 -0.74 0.00 0.00 36.82 38.82 2weq h ILE 12 CO 0.04 0.32 0.15 0.74 0.00 0.00 0.00 178.15 179.40 2weq h THR 13 N -0.12 0.72 -0.51 -0.27 2.02 -1.52 0.12 112.91 113.34 2weq h THR 13 Ca 0.02 -0.10 -0.06 0.00 0.77 0.00 0.00 66.41 67.04 2weq h THR 13 Cb 0.54 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 2weq h THR 13 CO 0.02 0.05 0.09 1.56 0.37 0.00 0.00 175.52 177.61 2weq h GLN 14 N 0.30 0.85 -0.51 6.66 4.20 -1.24 -1.70 115.11 123.67 2weq h GLN 14 Ca 0.28 -0.22 0.06 0.00 0.06 0.00 0.00 58.65 58.83 2weq h GLN 14 Cb 0.38 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 2weq h GLN 14 CO -0.34 0.83 0.21 1.25 -0.67 0.00 0.00 178.83 180.12 2weq h LEU 15 N 0.73 0.26 -0.66 1.46 5.85 -0.03 0.16 115.31 123.07 2weq h LEU 15 Ca 0.16 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.83 2weq h LEU 15 Cb 0.39 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2weq h LEU 15 CO 0.01 0.18 -0.01 0.24 -0.34 0.00 0.00 178.44 178.52 2weq h MET 16 N 0.41 1.03 -0.00 1.25 2.86 -0.60 -0.21 114.93 119.67 2weq h MET 16 Ca 0.24 -0.32 -0.19 0.00 -2.06 0.00 0.00 59.70 57.37 2weq h MET 16 Cb 0.22 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 2weq h MET 16 CO -0.22 1.01 -0.85 0.66 1.06 0.00 0.00 176.91 178.58 2weq h SER 17 N 0.94 0.22 -0.23 1.22 4.64 -0.80 -1.16 113.55 118.39 2weq h SER 17 Ca 0.17 -0.18 0.06 0.00 -0.47 0.00 0.00 61.79 61.37 2weq h SER 17 Cb 0.55 -0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 62.50 2weq h SER 17 CO 0.03 0.97 -0.31 -0.07 -0.87 0.00 0.00 176.83 176.58 2weq h LEU 18 N 0.10 -0.98 -0.53 5.97 3.38 -0.16 -0.81 115.31 122.27 2weq h LEU 18 Ca -0.04 0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.11 2weq h LEU 18 Cb 1.46 0.44 -0.03 0.00 0.09 0.00 0.00 40.66 42.62 2weq h LEU 18 CO 0.13 -0.33 0.33 0.40 0.09 0.00 0.00 178.44 179.05 2weq h ILE 19 N -0.32 1.08 -0.66 1.22 2.04 -0.86 0.37 117.51 120.38 2weq h ILE 19 Ca 0.13 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 2weq h ILE 19 Cb 0.53 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2weq h ILE 19 CO -0.42 0.12 0.30 0.40 0.00 0.00 0.00 178.15 178.56 2weq h ILE 20 N 0.66 1.23 0.00 -0.67 2.04 -1.09 -3.35 117.51 116.33 2weq h ILE 20 Ca 0.21 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 2weq h ILE 20 Cb -0.01 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 2weq h ILE 20 CO -0.08 0.27 -1.68 0.59 0.00 0.00 0.00 178.15 177.25 2weq n ASN 21 N -4.45 1.77 -0.05 1.72 3.02 -0.32 -4.68 115.26 112.27 2weq n ASN 21 Ca 0.05 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.60 2weq n ASN 21 Cb 0.14 1.52 -0.16 0.00 -0.61 0.00 0.00 39.78 40.67 2weq n ASN 21 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2weq n THR 22 N -2.07 0.70 0.00 3.41 -2.24 0.13 -4.93 114.28 109.28 2weq n THR 22 Ca -0.05 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 2weq n THR 22 Cb 0.45 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 2weq n THR 22 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2weq n VAL 23 N -2.51 0.00 0.00 2.28 3.14 -1.24 -4.92 118.33 115.07 2weq n VAL 23 Ca -0.18 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 2weq n VAL 23 Cb 0.86 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.64 2weq n VAL 23 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 2weq n TYR 24 N 14.00 0.00 -4.29 1.45 4.01 -1.26 -4.90 117.16 126.16 2weq n TYR 24 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.45 2weq n TYR 24 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 38.92 2weq n TYR 24 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2weq s SER 25 N -2.67 3.97 -0.81 7.72 0.15 -1.26 -4.68 113.70 116.12 2weq s SER 25 Ca 0.00 -0.55 -0.02 0.00 0.70 0.00 0.00 55.95 56.08 2weq s SER 25 Cb 0.00 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.72 2weq s SER 25 CO 0.00 0.17 0.68 -3.20 1.20 0.00 0.00 173.24 172.10 2weq n ASN 26 N 0.71 -2.91 0.26 5.45 5.15 -1.26 -4.88 115.26 117.78 2weq n ASN 26 Ca -0.15 -0.38 0.17 0.00 -0.60 0.00 0.00 54.58 53.62 2weq n ASN 26 Cb 0.53 -3.47 0.70 0.00 -0.53 0.00 0.00 39.78 37.01 2weq n ASN 26 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 2weq h LYS 27 N -1.39 0.00 0.00 1.20 1.57 -1.96 -3.25 116.57 112.73 2weq h LYS 27 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2weq h LYS 27 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2weq h LYS 27 CO 0.34 0.00 0.00 1.05 -0.57 0.00 0.00 179.45 180.27 2weq h GLU 28 N 0.00 0.00 0.00 3.15 4.11 -1.99 -2.13 114.58 117.72 2weq h GLU 28 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2weq h GLU 28 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2weq h GLU 28 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 179.01 179.52 2weq n ILE 29 N -2.53 0.89 -0.19 -1.06 -6.64 -1.23 -2.07 119.36 106.53 2weq n ILE 29 Ca -0.01 0.26 0.18 0.00 -1.77 0.00 0.00 62.75 61.42 2weq n ILE 29 Cb 0.12 -1.17 0.54 0.00 -1.44 0.00 0.00 39.64 37.69 2weq n ILE 29 CO 0.00 0.00 0.00 2.19 -1.77 0.00 0.00 176.55 176.97 2weq h PHE 30 N 0.00 0.44 0.13 4.28 -5.15 -1.66 -2.41 116.94 112.57 2weq h PHE 30 Ca 0.00 0.01 -0.28 0.00 -0.20 0.00 0.00 57.97 57.50 2weq h PHE 30 Cb 0.32 -0.14 0.01 0.00 0.22 0.00 0.00 35.95 36.36 2weq h PHE 30 CO 0.00 0.14 -1.27 1.25 -2.00 0.00 0.00 178.31 176.43 2weq h LEU 31 N 0.35 0.44 -1.00 2.10 5.85 -1.69 -2.34 115.31 119.03 2weq h LEU 31 Ca 0.41 -0.48 0.01 0.00 0.84 0.00 0.00 57.88 58.67 2weq h LEU 31 Cb 1.06 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.90 2weq h LEU 31 CO -0.13 1.37 0.66 -0.09 -0.34 0.00 0.00 178.44 179.92 2weq h ARG 32 N 0.08 1.30 -0.26 1.25 1.12 -1.60 -0.23 114.38 116.03 2weq h ARG 32 Ca -0.14 -0.08 -0.05 0.00 -1.11 0.00 0.00 59.98 58.60 2weq h ARG 32 Cb 1.98 -0.29 -0.01 0.00 -0.01 0.00 0.00 29.97 31.64 2weq h ARG 32 CO 0.20 0.86 -0.03 0.93 -3.11 0.00 0.00 179.97 178.83 2weq h GLU 33 N 1.33 0.48 -0.32 0.20 4.39 -1.41 -0.59 114.58 118.66 2weq h GLU 33 Ca 0.37 -0.17 0.05 0.00 0.34 0.00 0.00 59.36 59.95 2weq h GLU 33 Cb -0.13 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.44 2weq h GLU 33 CO -0.09 0.67 0.06 0.82 -1.16 0.00 0.00 179.01 179.31 2weq h ILE 34 N 0.25 0.84 -0.33 3.13 2.04 -1.24 -1.12 117.51 121.07 2weq h ILE 34 Ca 0.07 -0.06 -0.10 0.00 1.00 0.00 0.00 64.86 65.77 2weq h ILE 34 Cb 0.47 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2weq h ILE 34 CO 0.02 0.03 -0.22 0.58 0.00 0.00 0.00 178.15 178.56 2weq h VAL 35 N 0.17 1.27 -0.43 1.67 2.07 -1.00 -1.02 116.25 118.98 2weq h VAL 35 Ca 0.15 -1.28 -0.13 0.00 0.82 0.00 0.00 66.70 66.26 2weq h VAL 35 Cb 0.17 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2weq h VAL 35 CO -0.20 0.42 -0.25 -1.28 0.02 0.00 0.00 177.57 176.27 2weq h SER 36 N 0.57 0.92 -0.58 0.57 0.87 -0.94 0.48 113.55 115.44 2weq h SER 36 Ca 0.08 -0.36 -0.06 0.00 -1.23 0.00 0.00 61.79 60.23 2weq h SER 36 Cb 0.68 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2weq h SER 36 CO 0.05 1.12 0.14 0.78 -0.53 0.00 0.00 176.83 178.39 2weq h ASN 37 N 0.77 0.88 -0.44 6.23 -0.26 -1.04 -0.92 115.58 120.79 2weq h ASN 37 Ca 0.09 -0.23 0.02 0.00 -0.56 0.00 0.00 56.30 55.62 2weq h ASN 37 Cb 0.81 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 37.81 2weq h ASN 37 CO 0.07 0.88 0.26 0.00 -1.06 0.00 0.00 177.43 177.58 2weq h ALA 38 N 1.03 0.56 -0.52 -0.83 0.00 -1.03 -1.30 119.26 117.15 2weq h ALA 38 Ca 0.18 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2weq h ALA 38 Cb 0.35 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2weq h ALA 38 CO 0.00 -0.06 0.06 1.03 0.00 0.00 0.00 179.25 180.28 2weq h SER 39 N 0.52 0.79 -0.67 0.00 0.87 -0.75 -0.70 113.55 113.61 2weq h SER 39 Ca 0.18 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2weq h SER 39 Cb 0.02 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.74 2weq h SER 39 CO -0.08 0.82 0.29 -0.78 -0.53 0.00 0.00 176.83 176.54 2weq h ASP 40 N 0.79 0.90 -0.43 6.23 3.58 -0.82 -0.90 116.42 125.77 2weq h ASP 40 Ca 0.16 -0.16 -0.07 0.00 0.42 0.00 0.00 57.03 57.39 2weq h ASP 40 Cb 0.39 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 2weq h ASP 40 CO 0.01 0.81 0.03 0.00 -2.88 0.00 0.00 179.24 177.21 2weq h ALA 41 N 1.13 1.11 -0.22 -0.78 0.00 -0.85 -1.50 119.26 118.15 2weq h ALA 41 Ca 0.22 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 2weq h ALA 41 Cb 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2weq h ALA 41 CO -0.02 0.57 -0.48 -0.07 0.00 0.00 0.00 179.25 179.25 2weq h LEU 42 N 0.76 0.80 -0.76 0.00 3.38 -0.99 0.23 115.31 118.73 2weq h LEU 42 Ca 0.15 -0.56 0.10 0.00 0.09 0.00 0.00 57.88 57.66 2weq h LEU 42 Cb 0.43 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 2weq h LEU 42 CO 0.02 1.21 0.40 0.44 0.09 0.00 0.00 178.44 180.60 2weq h ASP 43 N 0.42 0.54 -0.37 -0.43 3.45 -1.05 -2.08 116.42 116.91 2weq h ASP 43 Ca 0.00 0.06 -0.08 0.00 0.43 0.00 0.00 57.03 57.44 2weq h ASP 43 Cb 1.09 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.81 2weq h ASP 43 CO 0.11 0.30 -0.07 0.11 -1.57 0.00 0.00 179.24 178.12 2weq h LYS 44 N 0.67 0.69 -0.59 3.56 1.57 -1.21 -0.67 116.57 120.59 2weq h LYS 44 Ca 0.37 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 2weq h LYS 44 Cb 0.38 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2weq h LYS 44 CO -0.27 0.83 0.12 0.97 -0.57 0.00 0.00 179.45 180.54 2weq h ILE 45 N 0.49 1.25 -0.51 1.86 6.09 -1.43 -0.64 117.51 124.63 2weq h ILE 45 Ca 0.10 -0.94 -0.06 0.00 -1.37 0.00 0.00 64.86 62.58 2weq h ILE 45 Cb 0.57 0.72 -0.02 0.00 0.47 0.00 0.00 36.82 38.56 2weq h ILE 45 CO 0.03 0.35 0.09 -0.09 -3.07 0.00 0.00 178.15 175.46 2weq h ARG 46 N 0.87 0.83 0.01 2.19 2.43 -1.26 -0.09 114.38 119.36 2weq h ARG 46 Ca 0.18 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2weq h ARG 46 Cb 0.38 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2weq h ARG 46 CO 0.01 0.82 -0.00 -0.92 -1.51 0.00 0.00 179.97 178.36 2weq h TYR 47 N 0.71 -0.01 -0.62 2.20 3.20 -1.04 -2.86 116.97 118.55 2weq h TYR 47 Ca 0.16 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.14 2weq h TYR 47 Cb 0.38 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 38.54 2weq h TYR 47 CO 0.03 0.27 -0.28 -0.22 -1.64 0.00 0.00 178.16 176.31 2weq h LYS 48 N -0.29 -0.11 0.00 1.82 1.63 -1.10 -1.92 116.57 116.59 2weq h LYS 48 Ca -0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2weq h LYS 48 Cb 0.29 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 2weq h LYS 48 CO 0.00 -0.07 0.00 -1.13 -3.45 0.00 0.00 179.45 174.80 2weq n SER 49 N -5.44 0.13 0.14 4.20 3.41 -0.05 -2.72 113.62 113.28 2weq n SER 49 Ca 0.06 0.54 0.12 0.00 -0.26 0.00 0.00 58.87 59.33 2weq n SER 49 Cb 0.36 -0.56 0.64 0.00 -0.26 0.00 0.00 64.21 64.38 2weq n SER 49 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2weq h LEU 50 N 0.00 0.04 -2.32 1.04 3.38 -1.13 -2.66 115.31 113.66 2weq h LEU 50 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2weq h LEU 50 Cb 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2weq h LEU 50 CO 0.00 0.03 -0.19 -1.54 0.09 0.00 0.00 178.44 176.83 2weq n SER 51 N -4.48 1.06 -2.73 -0.43 3.41 -1.10 -4.77 113.62 104.57 2weq n SER 51 Ca 0.02 -2.21 -0.07 0.00 -0.26 0.00 0.00 58.87 56.35 2weq n SER 51 Cb 0.28 -0.22 0.05 0.00 -0.26 0.00 0.00 64.21 64.07 2weq n SER 51 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2weq n ASP 52 N -0.55 -2.58 0.28 4.04 -0.08 -1.19 -5.04 116.55 111.43 2weq n ASP 52 Ca 0.05 -2.96 0.18 0.00 -1.51 0.00 0.00 54.79 50.55 2weq n ASP 52 Cb 0.59 1.60 0.92 0.00 2.34 0.00 0.00 41.12 46.56 2weq n ASP 52 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2weq h PRO 53 N 3.86 0.00 0.00 -0.67 0.11 -1.76 -2.48 132.00 131.06 2weq h PRO 53 Ca -0.16 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.91 2weq h PRO 53 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2weq h PRO 53 CO 0.21 0.00 -0.20 0.87 -0.21 0.00 0.00 178.00 178.67 2weq h LYS 54 N 0.00 0.00 -0.72 1.05 1.57 -1.96 -3.05 116.57 113.46 2weq h LYS 54 Ca 0.04 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.93 2weq h LYS 54 Cb 0.49 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.76 2weq h LYS 54 CO -0.00 0.20 0.48 1.96 -0.57 0.00 0.00 179.45 181.51 2weq h GLN 55 N 0.00 0.51 0.00 3.15 1.08 -1.81 -1.00 115.11 117.04 2weq h GLN 55 Ca -0.00 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2weq h GLN 55 Cb 0.62 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 2weq h GLN 55 CO 0.03 0.34 0.00 -0.07 -0.95 0.00 0.00 178.83 178.17 2weq h LEU 56 N 0.52 0.00 -0.09 1.46 3.38 -1.76 -3.36 115.31 115.47 2weq h LEU 56 Ca 0.34 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.24 2weq h LEU 56 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2weq h LEU 56 CO -0.11 0.00 -0.32 -0.33 0.09 0.00 0.00 178.44 177.77 2weq h GLU 57 N 0.00 0.00 0.00 1.13 5.08 -1.36 -2.66 114.58 116.78 2weq h GLU 57 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2weq h GLU 57 Cb 0.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2weq h GLU 57 CO 0.00 0.32 -0.00 1.79 -1.00 0.00 0.00 179.01 180.11 2weq h THR 58 N 0.00 0.05 -0.57 1.13 1.35 -1.76 -3.38 112.91 109.73 2weq h THR 58 Ca -0.00 -0.06 0.02 0.00 -0.55 0.00 0.00 66.41 65.81 2weq h THR 58 Cb 1.21 1.06 -0.17 0.00 -1.73 0.00 0.00 68.15 68.51 2weq h THR 58 CO 0.04 0.00 -0.27 -0.70 -0.25 0.00 0.00 175.52 174.34 2weq s GLU 59 N -4.13 0.50 0.49 4.72 2.56 -1.10 -4.22 118.70 117.52 2weq s GLU 59 Ca -0.04 -0.27 0.19 0.00 0.00 0.00 0.00 54.97 54.85 2weq s GLU 59 Cb 0.13 0.03 1.24 0.00 2.00 0.00 0.00 34.13 37.53 2weq s GLU 59 CO 0.44 -0.69 2.07 -1.35 -0.56 0.00 0.00 175.26 175.16 2weq h PRO 60 N 5.72 0.00 -6.07 4.30 0.11 -1.67 -3.44 132.00 130.95 2weq h PRO 60 Ca 0.01 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.56 2weq h PRO 60 Cb 1.19 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 2weq h PRO 60 CO -0.01 0.12 0.06 -0.51 -0.21 0.00 0.00 178.00 177.45 2weq s ASP 61 N -6.72 7.01 -0.36 -2.05 1.01 -1.26 -5.03 116.67 109.26 2weq s ASP 61 Ca -0.04 1.21 -0.11 0.00 0.71 0.00 0.00 52.55 54.32 2weq s ASP 61 Cb 0.15 -2.40 0.02 0.00 1.01 0.00 0.00 42.92 41.70 2weq s ASP 61 CO 0.65 -0.03 0.20 -0.76 0.21 0.00 0.00 175.17 175.44 2weq s LEU 62 N 0.41 4.58 0.23 1.23 1.43 -1.26 -4.73 118.68 120.56 2weq s LEU 62 Ca 0.35 -0.85 -0.17 0.00 -1.03 0.00 0.00 54.13 52.44 2weq s LEU 62 Cb -0.18 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.02 2weq s LEU 62 CO 0.18 -0.34 0.56 0.72 0.23 0.00 0.00 176.35 177.71 2weq s PHE 63 N 1.58 -0.02 -0.09 0.29 -0.12 -1.26 -4.39 117.98 113.97 2weq s PHE 63 Ca 0.03 -0.36 0.02 0.00 -0.05 0.00 0.00 56.93 56.57 2weq s PHE 63 Cb -0.19 0.42 0.01 0.00 -0.63 0.00 0.00 43.02 42.64 2weq s PHE 63 CO 0.07 -1.01 -0.13 0.42 -0.05 0.00 0.00 175.22 174.52 2weq s ILE 64 N -3.92 1.28 -0.06 -4.49 1.01 -0.64 -2.37 121.20 112.01 2weq s ILE 64 Ca 0.13 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.28 2weq s ILE 64 Cb -0.02 -1.19 0.01 0.00 0.01 0.00 0.00 42.46 41.27 2weq s ILE 64 CO 0.02 0.40 -0.15 -0.60 0.00 0.00 0.00 174.94 174.60 2weq s ARG 65 N 0.92 1.90 -0.16 2.79 3.52 0.53 -0.18 118.95 128.28 2weq s ARG 65 Ca -0.09 -0.54 -0.02 0.00 -0.13 0.00 0.00 55.73 54.95 2weq s ARG 65 Cb -0.15 -1.57 -0.01 0.00 -1.56 0.00 0.00 34.95 31.66 2weq s ARG 65 CO 0.00 0.12 -0.09 0.42 -0.81 0.00 0.00 175.30 174.94 2weq s ILE 66 N 0.40 3.28 -0.29 4.11 1.01 0.49 -0.96 121.20 129.23 2weq s ILE 66 Ca -0.11 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 59.98 2weq s ILE 66 Cb -0.14 -2.42 0.09 0.00 0.01 0.00 0.00 42.46 39.99 2weq s ILE 66 CO 0.04 0.49 0.04 -0.89 0.00 0.00 0.00 174.94 174.62 2weq s THR 67 N 0.67 1.29 0.27 2.92 2.01 0.24 -0.88 115.64 122.16 2weq s THR 67 Ca -0.05 -1.46 -0.30 0.00 0.31 0.00 0.00 61.69 60.20 2weq s THR 67 Cb -0.15 -1.84 -0.10 0.00 0.01 0.00 0.00 72.50 70.42 2weq s THR 67 CO 0.02 -0.47 1.36 -2.16 -0.69 0.00 0.00 174.62 172.69 2weq s PRO 68 N 1.44 4.33 -0.62 4.92 0.04 -1.26 -1.36 135.00 142.48 2weq s PRO 68 Ca 0.05 2.22 0.05 0.00 0.04 0.00 0.00 61.00 63.35 2weq s PRO 68 Cb -0.18 -3.11 0.18 0.00 0.04 0.00 0.00 34.50 31.42 2weq s PRO 68 CO -0.15 -0.30 0.48 1.63 0.04 0.00 0.00 177.00 178.70 2weq n LYS 69 N 1.82 1.44 0.28 4.56 5.02 0.43 -4.96 118.16 126.74 2weq n LYS 69 Ca 0.04 -4.14 0.13 0.00 -2.02 0.00 0.00 58.31 52.32 2weq n LYS 69 Cb 0.41 -2.10 0.80 0.00 -0.02 0.00 0.00 35.03 34.12 2weq n LYS 69 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2weq h PRO 70 N 5.32 0.00 -0.02 1.97 0.13 -1.92 -1.91 132.00 135.57 2weq h PRO 70 Ca 0.18 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.21 2weq h PRO 70 Cb 0.79 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 2weq h PRO 70 CO 0.63 0.06 -0.47 1.05 -0.23 0.00 0.00 178.00 179.04 2weq h GLU 71 N 0.00 0.06 -0.02 0.86 9.09 -1.94 -2.64 114.58 119.98 2weq h GLU 71 Ca -0.00 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.38 2weq h GLU 71 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 2weq h GLU 71 CO 0.01 0.52 -0.06 1.04 0.05 0.00 0.00 179.01 180.57 2weq n GLN 72 N -3.97 1.98 -3.43 1.06 6.02 -0.77 -4.97 117.38 113.30 2weq n GLN 72 Ca -0.02 -1.53 -0.20 0.00 -0.01 0.00 0.00 57.00 55.24 2weq n GLN 72 Cb 0.50 -1.47 0.07 0.00 1.02 0.00 0.00 30.24 30.36 2weq n GLN 72 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2weq n LYS 73 N 0.83 -6.81 -5.25 -1.09 5.02 -0.92 -4.88 118.16 105.06 2weq n LYS 73 Ca 0.15 0.72 -0.32 0.00 -2.02 0.00 0.00 58.31 56.84 2weq n LYS 73 Cb 0.52 -5.43 -0.16 0.00 -0.02 0.00 0.00 35.03 29.93 2weq n LYS 73 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2weq s VAL 74 N -3.28 2.09 -0.21 -0.18 1.01 -1.03 -0.96 120.40 117.85 2weq s VAL 74 Ca 0.46 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 2weq s VAL 74 Cb -0.20 -1.75 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 2weq s VAL 74 CO 0.63 0.57 -0.08 -0.22 0.00 0.00 0.00 175.10 176.00 2weq s LEU 75 N -0.16 2.71 -0.13 3.92 2.96 -0.39 -0.43 118.68 127.16 2weq s LEU 75 Ca -0.04 -0.45 -0.06 0.00 -0.22 0.00 0.00 54.13 53.36 2weq s LEU 75 Cb -0.14 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 2weq s LEU 75 CO 0.04 -0.01 0.09 -1.61 -1.32 0.00 0.00 176.35 173.53 2weq s GLU 76 N 1.42 3.46 -0.20 1.98 2.02 -0.47 -0.85 118.70 126.08 2weq s GLU 76 Ca 0.05 -0.25 0.00 0.00 0.02 0.00 0.00 54.97 54.80 2weq s GLU 76 Cb -0.14 -3.10 0.05 0.00 0.10 0.00 0.00 34.13 31.03 2weq s GLU 76 CO -0.06 0.64 -0.08 0.42 0.02 0.00 0.00 175.26 176.21 2weq s ILE 77 N -0.65 1.46 -0.07 -1.63 1.09 0.08 -0.59 121.20 120.87 2weq s ILE 77 Ca 0.12 -0.93 -0.03 0.00 -1.10 0.00 0.00 60.65 58.71 2weq s ILE 77 Cb -0.12 -1.60 -0.04 0.00 -1.06 0.00 0.00 42.46 39.65 2weq s ILE 77 CO 0.02 0.11 0.07 -0.60 -0.10 0.00 0.00 174.94 174.44 2weq s ARG 78 N 1.47 3.15 0.12 2.79 3.52 -0.14 -0.51 118.95 129.35 2weq s ARG 78 Ca -0.01 -0.34 0.06 0.00 -0.13 0.00 0.00 55.73 55.30 2weq s ARG 78 Cb -0.16 -2.94 -0.04 0.00 -1.56 0.00 0.00 34.95 30.25 2weq s ARG 78 CO -0.08 0.71 -0.14 0.16 -0.81 0.00 0.00 175.30 175.15 2weq s ASP 79 N -1.16 1.97 -0.60 -2.12 -4.77 -0.37 -0.34 116.67 109.28 2weq s ASP 79 Ca 0.16 -0.80 -0.02 0.00 -3.30 0.00 0.00 52.55 48.59 2weq s ASP 79 Cb -0.12 -0.06 0.41 0.00 -1.09 0.00 0.00 42.92 42.06 2weq s ASP 79 CO 0.06 -0.15 2.03 -1.54 0.70 0.00 0.00 175.17 176.27 2weq n SER 80 N 0.56 7.33 -2.47 2.11 3.41 -1.00 -2.27 113.62 121.29 2weq n SER 80 Ca -0.16 -3.65 0.00 0.00 -0.26 0.00 0.00 58.87 54.81 2weq n SER 80 Cb 0.57 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 2weq n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2weq n GLY 81 N -0.70 -1.34 0.40 5.00 0.00 -1.26 -4.73 105.19 102.57 2weq n GLY 81 Ca 0.57 -1.60 0.22 0.00 0.00 0.00 0.00 46.02 45.21 2weq n GLY 81 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2weq h ILE 82 N -0.78 0.69 -1.12 -0.61 2.10 -1.28 -3.24 117.51 113.26 2weq h ILE 82 Ca 0.00 -0.01 0.13 0.00 1.08 0.00 0.00 64.86 66.06 2weq h ILE 82 Cb 0.00 0.65 -0.04 0.00 -1.09 0.00 0.00 36.82 36.34 2weq h ILE 82 CO 0.00 0.01 -0.21 0.61 -1.08 0.00 0.00 178.15 177.48 2weq n GLY 83 N -1.65 -1.62 3.03 8.18 0.00 -1.26 -4.22 105.19 107.64 2weq n GLY 83 Ca 0.13 -1.40 -0.16 0.00 0.00 0.00 0.00 46.02 44.59 2weq n GLY 83 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2weq s MET 84 N -1.62 0.57 0.67 1.61 1.00 -1.26 -4.71 119.30 115.56 2weq s MET 84 Ca 0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 55.69 55.10 2weq s MET 84 Cb 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 34.83 34.37 2weq s MET 84 CO 0.00 0.12 1.02 0.95 0.00 0.00 0.00 175.02 177.11 2weq s THR 85 N -0.70 3.28 0.23 2.05 -4.23 -1.26 -3.84 115.64 111.17 2weq s THR 85 Ca -0.02 0.17 -0.12 0.00 -1.18 0.00 0.00 61.69 60.54 2weq s THR 85 Cb -0.06 -3.37 0.30 0.00 1.34 0.00 0.00 72.50 70.71 2weq s THR 85 CO 0.00 -0.44 1.60 0.50 -0.54 0.00 0.00 174.62 175.74 2weq h LYS 86 N -0.50 -0.01 -0.55 3.99 3.64 -1.94 0.28 116.57 121.49 2weq h LYS 86 Ca -0.45 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.84 2weq h LYS 86 Cb 1.27 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 2weq h LYS 86 CO 0.62 -0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.80 2weq h ALA 87 N 1.72 0.98 -0.78 5.00 0.00 -1.99 -0.55 119.26 123.63 2weq h ALA 87 Ca 0.36 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2weq h ALA 87 Cb 0.55 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2weq h ALA 87 CO -0.78 0.62 0.41 0.93 0.00 0.00 0.00 179.25 180.44 2weq h GLU 88 N 0.86 1.10 0.25 0.00 5.08 -1.76 -0.11 114.58 120.00 2weq h GLU 88 Ca 0.16 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2weq h GLU 88 Cb 0.50 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2weq h GLU 88 CO 0.02 0.83 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.67 2weq h LEU 89 N 1.09 -0.29 -0.36 1.33 3.38 -0.42 -0.81 115.31 119.23 2weq h LEU 89 Ca 0.27 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.30 2weq h LEU 89 Cb 0.06 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 2weq h LEU 89 CO -0.04 -0.18 -0.04 0.40 0.09 0.00 0.00 178.44 178.67 2weq h ILE 90 N -0.37 0.69 -0.03 1.22 2.04 -1.08 -1.36 117.51 118.63 2weq h ILE 90 Ca -0.03 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 2weq h ILE 90 Cb 0.28 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2weq h ILE 90 CO 0.06 0.01 -0.04 0.78 0.00 0.00 0.00 178.15 178.95 2weq h ASN 91 N 0.06 0.09 0.90 1.72 2.35 -0.93 -3.06 115.58 116.71 2weq h ASN 91 Ca 0.18 -0.54 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 2weq h ASN 91 Cb 0.26 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2weq h ASN 91 CO -0.33 0.61 -0.82 0.78 -1.65 0.00 0.00 177.43 176.02 2weq h ASN 92 N -0.43 0.00 -0.74 5.81 4.21 -1.20 -3.02 115.58 120.21 2weq h ASN 92 Ca 0.00 -0.13 -0.48 0.00 1.21 0.00 0.00 56.30 56.90 2weq h ASN 92 Cb 0.59 0.00 -0.28 0.00 -1.12 0.00 0.00 38.32 37.51 2weq h ASN 92 CO 0.01 0.07 0.06 0.18 -1.29 0.00 0.00 177.43 176.46 2weq n LEU 93 N -2.36 5.75 0.00 1.61 4.77 -0.51 -4.92 117.00 121.34 2weq n LEU 93 Ca 0.02 -4.23 0.00 0.00 -0.03 0.00 0.00 56.01 51.77 2weq n LEU 93 Cb 0.49 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2weq n LEU 93 CO 0.38 1.57 0.00 0.61 -1.33 0.00 0.00 177.39 178.63 2weq n GLY 94 N -0.94 1.13 0.08 -0.72 0.00 -1.25 -4.95 105.19 98.55 2weq n GLY 94 Ca 0.48 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.42 2weq n GLY 94 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2weq h THR 95 N 0.00 1.62 -2.74 2.61 1.35 -1.61 0.44 112.91 114.58 2weq h THR 95 Ca 0.00 -3.15 -0.67 0.00 -0.55 0.00 0.00 66.41 62.04 2weq h THR 95 Cb 0.00 2.77 -0.08 0.00 -1.73 0.00 0.00 68.15 69.11 2weq h THR 95 CO 0.00 0.91 -0.50 -0.63 -0.25 0.00 0.00 175.52 175.05 2weq s ILE 96 N -2.82 5.36 0.37 6.82 1.01 -1.14 -4.12 121.20 126.67 2weq s ILE 96 Ca -0.01 0.15 -0.27 0.00 0.00 0.00 0.00 60.65 60.53 2weq s ILE 96 Cb 0.09 -3.33 -0.12 0.00 0.01 0.00 0.00 42.46 39.12 2weq s ILE 96 CO 0.83 0.61 1.24 0.00 0.00 0.00 0.00 174.94 177.63 2weq n ALA 97 N 2.04 1.10 -2.76 9.38 0.00 -1.26 -4.86 120.51 124.15 2weq n ALA 97 Ca -0.20 0.32 -0.35 0.00 0.00 0.00 0.00 53.44 53.21 2weq n ALA 97 Cb 0.55 -2.23 -0.09 0.00 0.00 0.00 0.00 19.45 17.68 2weq n ALA 97 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2weq s LYS 98 N -1.96 3.24 0.30 0.00 -0.14 -1.26 -5.03 119.74 114.89 2weq s LYS 98 Ca 0.58 -0.33 0.04 0.00 -1.36 0.00 0.00 55.97 54.90 2weq s LYS 98 Cb -0.56 -2.95 0.64 0.00 -1.68 0.00 0.00 37.83 33.28 2weq s LYS 98 CO 0.60 0.66 1.83 1.03 -0.76 0.00 0.00 175.35 178.71 2weq h SER 99 N 5.34 0.85 -0.48 2.83 0.87 -1.95 -2.82 113.55 118.19 2weq h SER 99 Ca -0.50 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2weq h SER 99 Cb 1.20 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2weq h SER 99 CO 0.57 0.41 0.00 0.61 -0.53 0.00 0.00 176.83 177.90 2weq n GLY 100 N -1.36 1.63 0.13 5.77 0.00 -1.24 -4.58 105.19 105.53 2weq n GLY 100 Ca 0.20 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 2weq n GLY 100 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2weq h THR 101 N 3.75 0.83 -0.30 2.61 2.02 -1.75 0.21 112.91 120.28 2weq h THR 101 Ca 0.00 -0.01 -0.13 0.00 0.77 0.00 0.00 66.41 67.04 2weq h THR 101 Cb 0.84 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 68.08 2weq h THR 101 CO 0.00 0.00 -0.33 0.50 0.37 0.00 0.00 175.52 176.07 2weq h LYS 102 N -0.25 0.75 -0.92 6.66 3.64 -1.82 -2.14 116.57 122.49 2weq h LYS 102 Ca -0.02 -0.41 0.02 0.00 -1.27 0.00 0.00 60.65 58.96 2weq h LYS 102 Cb 0.19 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 2weq h LYS 102 CO 0.04 1.03 0.61 0.00 -2.27 0.00 0.00 179.45 178.86 2weq h ALA 103 N 0.71 1.18 -0.30 5.00 0.00 -1.79 -0.35 119.26 123.71 2weq h ALA 103 Ca 0.04 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2weq h ALA 103 Cb 0.91 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2weq h ALA 103 CO 0.08 0.54 -0.09 0.35 0.00 0.00 0.00 179.25 180.13 2weq h PHE 104 N 1.23 0.67 -0.66 0.00 3.57 -0.87 0.87 116.94 121.76 2weq h PHE 104 Ca 0.35 -0.15 0.08 0.00 3.53 0.00 0.00 57.97 61.77 2weq h PHE 104 Cb -0.11 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.41 2weq h PHE 104 CO -0.01 0.79 0.33 0.52 -2.23 0.00 0.00 178.31 177.72 2weq h MET 105 N 0.36 0.57 -0.62 1.11 2.86 -1.04 0.26 114.93 118.43 2weq h MET 105 Ca 0.07 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.59 2weq h MET 105 Cb 0.59 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 2weq h MET 105 CO 0.03 0.38 0.06 0.93 1.06 0.00 0.00 176.91 179.37 2weq h GLU 106 N 0.59 1.06 -0.26 1.72 5.08 -0.85 -2.00 114.58 119.93 2weq h GLU 106 Ca 0.31 -0.31 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2weq h GLU 106 Cb 0.28 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2weq h GLU 106 CO -0.23 1.01 0.16 0.00 -1.00 0.00 0.00 179.01 178.95 2weq h ALA 107 N 1.01 0.32 -0.29 3.43 0.00 -0.02 -1.61 119.26 122.10 2weq h ALA 107 Ca 0.18 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.13 2weq h ALA 107 Cb 0.49 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2weq h ALA 107 CO 0.02 -0.22 0.05 -0.07 0.00 0.00 0.00 179.25 179.03 2weq h LEU 108 N 0.33 -0.02 -1.57 0.00 3.38 -0.37 -1.07 115.31 115.99 2weq h LEU 108 Ca 0.10 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2weq h LEU 108 Cb -0.02 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2weq h LEU 108 CO -0.03 0.03 0.05 0.28 0.09 0.00 0.00 178.44 178.85 2weq h SER 109 N 0.15 0.29 0.24 -0.43 0.02 -1.09 -1.90 113.55 110.83 2weq h SER 109 Ca 0.14 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2weq h SER 109 Cb 0.15 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2weq h SER 109 CO -0.19 0.31 0.00 0.00 -1.14 0.00 0.00 176.83 175.80 2weq n ALA 110 N -2.49 2.43 0.00 3.77 0.00 -0.63 -4.90 120.51 118.69 2weq n ALA 110 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2weq n ALA 110 Cb 0.16 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.17 2weq n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2weq n GLY 111 N 0.85 0.82 3.62 0.00 0.00 -0.71 -5.08 105.19 104.67 2weq n GLY 111 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2weq n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2weq n ALA 112 N -0.82 0.30 -1.88 4.61 0.00 -0.45 -4.96 120.51 117.32 2weq n ALA 112 Ca 0.00 0.21 -0.41 0.00 0.00 0.00 0.00 53.44 53.24 2weq n ALA 112 Cb 0.00 -2.10 -0.02 0.00 0.00 0.00 0.00 19.45 17.32 2weq n ALA 112 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2weq s ASP 113 N -0.76 6.63 0.58 0.00 -1.08 -1.26 -4.64 116.67 116.13 2weq s ASP 113 Ca 0.64 2.68 0.28 0.00 -0.52 0.00 0.00 52.55 55.63 2weq s ASP 113 Cb -0.54 -2.62 1.52 0.00 -1.46 0.00 0.00 42.92 39.82 2weq s ASP 113 CO 0.56 -0.72 1.98 0.58 0.52 0.00 0.00 175.17 178.09 2weq h VAL 114 N 3.56 0.48 -0.04 1.11 2.07 -1.93 -0.73 116.25 120.79 2weq h VAL 114 Ca -0.46 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.07 2weq h VAL 114 Cb 1.22 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2weq h VAL 114 CO 0.79 0.00 0.16 -1.28 0.02 0.00 0.00 177.57 177.26 2weq h SER 115 N 0.00 0.00 0.33 0.57 0.87 -1.91 -0.14 113.55 113.27 2weq h SER 115 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2weq h SER 115 Cb 0.94 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 2weq h SER 115 CO -0.00 0.00 0.00 0.23 -0.53 0.00 0.00 176.83 176.53 2weq n MET 116 N -3.16 0.47 -0.23 2.24 2.81 -0.28 -4.27 117.12 114.70 2weq n MET 116 Ca -0.02 0.04 0.14 0.00 -1.81 0.00 0.00 57.70 56.06 2weq n MET 116 Cb 0.23 -1.50 0.44 0.00 -0.71 0.00 0.00 33.22 31.68 2weq n MET 116 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 2weq h ILE 117 N 0.00 0.79 0.00 2.02 2.10 -1.22 -1.38 117.51 119.83 2weq h ILE 117 Ca 0.00 -0.19 -0.14 0.00 1.08 0.00 0.00 64.86 65.61 2weq h ILE 117 Cb 0.17 0.19 -0.02 0.00 -1.09 0.00 0.00 36.82 36.06 2weq h ILE 117 CO 0.00 0.10 -0.66 1.23 -1.08 0.00 0.00 178.15 177.74 2weq h GLY 118 N 0.56 0.00 2.00 8.18 0.00 -1.84 -2.18 103.07 109.78 2weq h GLY 118 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 2weq h GLY 118 CO -0.18 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.30 2weq n GLN 119 N -3.59 0.12 0.00 4.80 6.02 -0.52 -1.41 117.38 122.81 2weq n GLN 119 Ca -0.00 0.49 0.12 0.00 -0.01 0.00 0.00 57.00 57.59 2weq n GLN 119 Cb 0.69 -1.80 0.10 0.00 1.02 0.00 0.00 30.24 30.24 2weq n GLN 119 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2weq n PHE 120 N -2.05 0.00 -1.09 1.08 3.01 -0.84 -4.97 117.46 112.60 2weq n PHE 120 Ca 0.01 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.44 2weq n PHE 120 Cb 0.12 -0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.58 2weq n PHE 120 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2weq n GLY 121 N 1.35 0.61 0.45 1.37 0.00 -0.50 -3.68 105.19 104.79 2weq n GLY 121 Ca 0.14 -0.75 0.06 0.00 0.00 0.00 0.00 46.02 45.47 2weq n GLY 121 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2weq n VAL 122 N -2.88 1.36 0.31 1.61 0.24 -1.08 -4.84 118.33 113.05 2weq n VAL 122 Ca -0.03 -1.89 0.20 0.00 -2.04 0.00 0.00 64.34 60.58 2weq n VAL 122 Cb 0.11 0.05 1.00 0.00 -1.47 0.00 0.00 33.84 33.54 2weq n VAL 122 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2weq h GLY 123 N 0.35 0.00 0.33 7.63 0.00 -1.85 -2.47 103.07 107.06 2weq h GLY 123 Ca -0.03 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.49 2weq h GLY 123 CO 0.01 0.00 0.59 -2.75 0.00 0.00 0.00 176.54 174.39 2weq h PHE 124 N 0.00 0.66 0.00 5.60 3.57 -1.91 -1.82 116.94 123.04 2weq h PHE 124 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2weq h PHE 124 Cb 0.18 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.72 2weq h PHE 124 CO 0.00 0.19 0.00 0.66 -2.23 0.00 0.00 178.31 176.93 2weq n TYR 125 N -4.55 0.50 0.16 0.41 4.02 -0.93 -2.71 117.16 114.06 2weq n TYR 125 Ca 0.19 0.18 0.09 0.00 -0.01 0.00 0.00 57.90 58.36 2weq n TYR 125 Cb 0.63 -0.79 0.49 0.00 -0.02 0.00 0.00 39.34 39.66 2weq n TYR 125 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2weq n SER 126 N -1.94 0.48 0.01 7.72 3.41 -0.68 -2.28 113.62 120.33 2weq n SER 126 Ca 0.04 0.71 0.04 0.00 -0.26 0.00 0.00 58.87 59.40 2weq n SER 126 Cb 0.27 -0.78 0.42 0.00 -0.26 0.00 0.00 64.21 63.85 2weq n SER 126 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2weq h LEU 127 N 0.00 0.46 0.00 1.04 3.38 -1.72 -1.64 115.31 116.84 2weq h LEU 127 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2weq h LEU 127 Cb 0.03 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2weq h LEU 127 CO 0.00 0.36 0.00 0.49 0.09 0.00 0.00 178.44 179.38 2weq n PHE 128 N -4.46 0.00 -0.17 1.13 3.01 -0.97 -1.89 117.46 114.12 2weq n PHE 128 Ca 0.03 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.53 2weq n PHE 128 Cb 0.08 -0.41 0.33 0.00 -0.01 0.00 0.00 39.48 39.47 2weq n PHE 128 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2weq h LEU 129 N 0.00 0.71 -0.01 4.37 3.38 -1.50 -3.35 115.31 118.91 2weq h LEU 129 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2weq h LEU 129 Cb 0.22 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2weq h LEU 129 CO 0.00 0.48 -0.02 1.33 0.09 0.00 0.00 178.44 180.32 2weq n VAL 130 N -4.46 0.00 -4.78 1.22 0.24 -0.84 -5.02 118.33 104.70 2weq n VAL 130 Ca 0.09 -0.49 -0.24 0.00 -2.04 0.00 0.00 64.34 61.66 2weq n VAL 130 Cb 0.14 1.00 -0.15 0.00 -1.47 0.00 0.00 33.84 33.35 2weq n VAL 130 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2weq s ALA 131 N -1.03 1.38 -2.09 2.33 0.00 -0.79 -0.63 121.76 120.92 2weq s ALA 131 Ca 0.00 -0.69 0.24 0.00 0.00 0.00 0.00 51.96 51.52 2weq s ALA 131 Cb 0.00 -0.38 0.32 0.00 0.00 0.00 0.00 23.12 23.06 2weq s ALA 131 CO 0.02 0.31 1.30 -0.40 0.00 0.00 0.00 175.76 176.99 2weq n ASP 132 N 2.82 1.80 -3.72 0.00 3.85 -1.03 -4.36 116.55 115.90 2weq n ASP 132 Ca -0.16 -1.38 -0.13 0.00 -0.71 0.00 0.00 54.79 52.41 2weq n ASP 132 Cb 0.54 0.29 -0.09 0.00 -1.35 0.00 0.00 41.12 40.50 2weq n ASP 132 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 2weq s ARG 133 N -2.40 0.55 -0.02 0.11 3.52 -1.25 -4.45 118.95 115.01 2weq s ARG 133 Ca 0.23 0.44 -0.01 0.00 -0.13 0.00 0.00 55.73 56.25 2weq s ARG 133 Cb 0.19 0.26 0.01 0.00 -1.56 0.00 0.00 34.95 33.85 2weq s ARG 133 CO 0.51 -0.09 0.05 0.08 -0.81 0.00 0.00 175.30 175.03 2weq s VAL 134 N -0.12 -0.02 -0.06 7.11 1.01 -0.34 -1.67 120.40 126.32 2weq s VAL 134 Ca -0.03 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.04 2weq s VAL 134 Cb -0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.24 2weq s VAL 134 CO 0.02 0.03 -0.10 -1.10 0.00 0.00 0.00 175.10 173.95 2weq s GLN 135 N 0.37 2.64 -0.25 2.72 -0.21 -0.63 -1.23 119.66 123.07 2weq s GLN 135 Ca -0.03 -0.61 -0.00 0.00 0.02 0.00 0.00 55.36 54.74 2weq s GLN 135 Cb -0.04 -2.50 0.04 0.00 1.00 0.00 0.00 33.01 31.50 2weq s GLN 135 CO -0.01 0.65 -0.08 0.08 -2.12 0.00 0.00 175.29 173.80 2weq s VAL 136 N -0.78 2.61 -0.23 1.09 1.01 0.18 -0.97 120.40 123.31 2weq s VAL 136 Ca 0.12 -1.22 -0.07 0.00 0.00 0.00 0.00 61.98 60.82 2weq s VAL 136 Cb -0.11 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2weq s VAL 136 CO 0.01 0.14 0.05 -0.63 0.00 0.00 0.00 175.10 174.68 2weq s ILE 137 N 1.25 4.31 0.02 2.22 1.01 0.50 -0.62 121.20 129.89 2weq s ILE 137 Ca -0.02 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.46 2weq s ILE 137 Cb -0.17 -2.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.29 2weq s ILE 137 CO -0.05 0.38 -0.05 -0.55 0.00 0.00 0.00 174.94 174.67 2weq s SER 138 N 1.24 0.50 -0.23 3.58 0.15 -0.13 0.57 113.70 119.39 2weq s SER 138 Ca 0.04 -0.33 -0.02 0.00 0.70 0.00 0.00 55.95 56.34 2weq s SER 138 Cb -0.15 0.02 0.07 0.00 -1.71 0.00 0.00 66.02 64.26 2weq s SER 138 CO 0.03 -0.12 0.05 -0.75 1.20 0.00 0.00 173.24 173.65 2weq s LYS 139 N -0.91 0.67 0.12 5.44 2.47 0.30 -1.79 119.74 126.05 2weq s LYS 139 Ca -0.07 -0.61 -0.08 0.00 -1.56 0.00 0.00 55.97 53.65 2weq s LYS 139 Cb -0.06 -2.03 -0.06 0.00 -1.46 0.00 0.00 37.83 34.22 2weq s LYS 139 CO -0.00 -0.75 0.41 0.45 0.16 0.00 0.00 175.35 175.62 2weq s SER 140 N 1.80 6.59 0.62 1.43 0.15 -1.25 -1.00 113.70 122.04 2weq s SER 140 Ca 0.02 0.75 0.27 0.00 0.70 0.00 0.00 55.95 57.69 2weq s SER 140 Cb -0.17 -2.16 1.34 0.00 -1.71 0.00 0.00 66.02 63.33 2weq s SER 140 CO -0.14 0.10 1.76 0.78 1.20 0.00 0.00 173.24 176.94 2weq h ASN 141 N 3.26 0.00 -0.72 5.45 2.35 -1.90 -2.06 115.58 121.97 2weq h ASN 141 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 2weq h ASN 141 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 2weq h ASN 141 CO 0.69 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.94 2weq n ASP 142 N -3.34 4.16 -3.05 5.81 8.00 -1.26 -4.97 116.55 121.91 2weq n ASP 142 Ca 0.07 -2.11 -0.10 0.00 0.71 0.00 0.00 54.79 53.36 2weq n ASP 142 Cb 0.72 -0.51 0.01 0.00 -0.02 0.00 0.00 41.12 41.32 2weq n ASP 142 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2weq s ASP 143 N -0.98 0.16 0.79 -2.24 -1.08 -0.77 -5.04 116.67 107.51 2weq s ASP 143 Ca 0.50 -1.18 -0.12 0.00 -0.52 0.00 0.00 52.55 51.23 2weq s ASP 143 Cb 0.27 0.81 0.07 0.00 -1.46 0.00 0.00 42.92 42.61 2weq s ASP 143 CO 0.31 -1.59 1.14 -1.61 0.52 0.00 0.00 175.17 173.94 2weq s GLU 144 N -2.55 2.15 0.11 4.34 0.41 -1.26 -4.43 118.70 117.47 2weq s GLU 144 Ca 0.18 0.28 -0.31 0.00 -0.41 0.00 0.00 54.97 54.71 2weq s GLU 144 Cb -0.04 -1.96 -0.08 0.00 -1.78 0.00 0.00 34.13 30.27 2weq s GLU 144 CO 0.13 -1.49 1.36 -1.14 -0.49 0.00 0.00 175.26 173.62 2weq s GLN 145 N -5.45 4.34 0.09 1.61 0.74 -1.26 -4.49 119.66 115.24 2weq s GLN 145 Ca 0.61 2.03 0.04 0.00 0.05 0.00 0.00 55.36 58.09 2weq s GLN 145 Cb -0.12 -3.26 -0.03 0.00 1.10 0.00 0.00 33.01 30.70 2weq s GLN 145 CO 0.51 -0.40 -0.11 0.71 -0.55 0.00 0.00 175.29 175.45 2weq s TYR 146 N 1.04 1.10 -0.17 1.67 1.51 -0.74 -0.81 117.35 120.94 2weq s TYR 146 Ca 0.63 -0.62 -0.01 0.00 -1.01 0.00 0.00 57.07 56.07 2weq s TYR 146 Cb -0.36 -0.60 -0.00 0.00 -0.11 0.00 0.00 41.96 40.89 2weq s TYR 146 CO 0.31 0.02 -0.13 0.42 -1.11 0.00 0.00 175.55 175.05 2weq s ILE 147 N -2.24 2.76 -0.12 2.71 1.01 0.03 -0.95 121.20 124.40 2weq s ILE 147 Ca 0.04 -0.72 -0.08 0.00 0.00 0.00 0.00 60.65 59.89 2weq s ILE 147 Cb -0.04 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 2weq s ILE 147 CO 0.01 0.50 0.16 0.86 0.00 0.00 0.00 174.94 176.46 2weq s TRP 148 N 1.04 3.58 -0.01 3.97 -0.00 0.21 -1.04 118.94 126.69 2weq s TRP 148 Ca -0.01 0.54 -0.01 0.00 -0.00 0.00 0.00 56.10 56.62 2weq s TRP 148 Cb -0.15 -1.99 0.00 0.00 -0.00 0.00 0.00 33.47 31.33 2weq s TRP 148 CO -0.03 0.67 0.02 -2.00 -0.00 0.00 0.00 176.95 175.62 2weq s GLU 149 N -0.85 0.02 -0.05 5.86 2.12 -0.47 -0.64 118.70 124.68 2weq s GLU 149 Ca 0.15 0.04 -0.08 0.00 0.36 0.00 0.00 54.97 55.43 2weq s GLU 149 Cb -0.12 0.00 0.02 0.00 0.26 0.00 0.00 34.13 34.28 2weq s GLU 149 CO 0.04 -0.01 0.20 0.45 -0.54 0.00 0.00 175.26 175.40 2weq s SER 150 N 0.06 -0.15 0.00 -1.70 0.15 -0.37 -1.55 113.70 110.14 2weq s SER 150 Ca -0.00 0.24 0.17 0.00 0.70 0.00 0.00 55.95 57.06 2weq s SER 150 Cb -0.01 0.36 0.46 0.00 -1.71 0.00 0.00 66.02 65.13 2weq s SER 150 CO -0.00 -0.18 1.38 0.59 1.20 0.00 0.00 173.24 176.23 2weq n ASN 151 N 2.44 3.40 -2.18 5.45 3.02 -1.26 -1.19 115.26 124.94 2weq n ASN 151 Ca -0.16 -1.98 -0.16 0.00 -0.03 0.00 0.00 54.58 52.26 2weq n ASN 151 Cb 0.58 -0.34 0.03 0.00 -0.61 0.00 0.00 39.78 39.43 2weq n ASN 151 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2weq n ALA 152 N 1.14 -0.68 -0.46 5.41 0.00 -1.26 -4.80 120.51 119.86 2weq n ALA 152 Ca 0.18 0.21 0.08 0.00 0.00 0.00 0.00 53.44 53.91 2weq n ALA 152 Cb 0.53 -2.90 0.25 0.00 0.00 0.00 0.00 19.45 17.33 2weq n ALA 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2weq n GLY 153 N -1.30 2.93 0.00 0.00 0.00 -1.26 -4.84 105.19 100.72 2weq n GLY 153 Ca -0.08 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2weq n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2weq n GLY 154 N 0.69 2.79 3.14 -0.02 0.00 -1.26 -5.07 105.19 105.46 2weq n GLY 154 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 2weq n GLY 154 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2weq s SER 155 N -1.14 0.59 0.12 1.61 1.04 -1.26 -1.23 113.70 113.43 2weq s SER 155 Ca 0.00 -1.11 0.01 0.00 0.48 0.00 0.00 55.95 55.33 2weq s SER 155 Cb 0.00 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 2weq s SER 155 CO 0.00 -0.63 -0.04 0.72 0.98 0.00 0.00 173.24 174.27 2weq s PHE 156 N -3.90 0.95 0.10 5.02 -0.12 -0.34 -4.53 117.98 115.16 2weq s PHE 156 Ca 0.17 -0.97 0.08 0.00 -0.05 0.00 0.00 56.93 56.16 2weq s PHE 156 Cb 0.07 -0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 41.87 2weq s PHE 156 CO -0.03 -0.20 -0.17 0.95 -0.05 0.00 0.00 175.22 175.73 2weq s THR 157 N -3.67 2.93 -0.06 -4.49 -4.23 -0.59 -0.64 115.64 104.88 2weq s THR 157 Ca 0.15 -1.41 0.04 0.00 -1.18 0.00 0.00 61.69 59.30 2weq s THR 157 Cb 0.06 -2.33 -0.00 0.00 1.34 0.00 0.00 72.50 71.57 2weq s THR 157 CO -0.02 0.14 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.31 2weq s VAL 158 N -1.12 1.65 -0.09 2.29 1.01 -0.34 -1.37 120.40 122.43 2weq s VAL 158 Ca 0.18 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 2weq s VAL 158 Cb -0.11 -1.43 0.05 0.00 0.00 0.00 0.00 36.38 34.89 2weq s VAL 158 CO 0.10 0.47 0.21 -0.89 0.00 0.00 0.00 175.10 174.98 2weq s THR 159 N 0.20 -0.14 0.20 3.92 2.01 -0.21 -1.72 115.64 119.89 2weq s THR 159 Ca -0.10 0.21 -0.32 0.00 0.31 0.00 0.00 61.69 61.79 2weq s THR 159 Cb -0.14 -0.34 -0.15 0.00 0.01 0.00 0.00 72.50 71.88 2weq s THR 159 CO 0.05 0.09 1.31 -0.11 -0.69 0.00 0.00 174.62 175.26 2weq n LEU 160 N 4.59 2.35 -4.54 4.42 7.94 -1.26 -0.79 117.00 129.70 2weq n LEU 160 Ca -0.19 1.14 -0.43 0.00 -1.11 0.00 0.00 56.01 55.42 2weq n LEU 160 Cb 0.52 -1.32 -0.06 0.00 0.53 0.00 0.00 43.42 43.08 2weq n LEU 160 CO 0.12 -0.86 0.47 -0.62 -1.11 0.00 0.00 177.39 175.39 2weq s ASP 161 N 0.21 6.40 -0.04 1.96 -1.08 0.01 -4.81 116.67 119.32 2weq s ASP 161 Ca 0.72 -0.10 0.06 0.00 -0.52 0.00 0.00 52.55 52.70 2weq s ASP 161 Cb -0.75 -2.35 0.08 0.00 -1.46 0.00 0.00 42.92 38.44 2weq s ASP 161 CO 0.50 -0.80 1.04 -0.62 0.52 0.00 0.00 175.17 175.81 2weq n GLU 162 N 6.43 2.43 -0.00 4.34 1.02 -1.26 -4.79 120.64 128.81 2weq n GLU 162 Ca 0.00 -1.79 0.00 0.00 -0.02 0.00 0.00 57.16 55.35 2weq n GLU 162 Cb 0.48 -1.13 -0.01 0.00 -0.02 0.00 0.00 31.44 30.76 2weq n GLU 162 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2weq n VAL 163 N -0.76 0.00 -4.19 2.62 0.24 -1.26 -5.07 118.33 109.90 2weq n VAL 163 Ca 0.05 -0.40 -0.23 0.00 -2.04 0.00 0.00 64.34 61.71 2weq n VAL 163 Cb 0.37 0.91 -0.07 0.00 -1.47 0.00 0.00 33.84 33.58 2weq n VAL 163 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2weq s ASN 164 N -1.25 4.61 0.67 -1.34 0.01 -1.26 -5.09 114.94 111.29 2weq s ASN 164 Ca 0.00 -0.74 -0.17 0.00 -0.71 0.00 0.00 52.86 51.25 2weq s ASN 164 Cb 0.01 -0.77 -0.01 0.00 0.41 0.00 0.00 41.25 40.89 2weq s ASN 164 CO 0.04 -0.18 1.12 -1.84 -1.51 0.00 0.00 177.10 174.73 2weq n GLU 165 N -1.04 0.82 -2.27 -0.60 0.28 -1.26 -4.92 120.64 111.65 2weq n GLU 165 Ca -0.04 0.34 -0.42 0.00 -0.16 0.00 0.00 57.16 56.87 2weq n GLU 165 Cb 0.60 -2.36 -0.03 0.00 1.43 0.00 0.00 31.44 31.09 2weq n GLU 165 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2weq s ARG 166 N -3.28 4.34 0.03 3.44 1.81 -1.26 -5.04 118.95 118.99 2weq s ARG 166 Ca 0.78 1.93 -0.03 0.00 -1.72 0.00 0.00 55.73 56.69 2weq s ARG 166 Cb -0.37 -3.41 -0.04 0.00 -0.45 0.00 0.00 34.95 30.67 2weq s ARG 166 CO 0.45 -0.44 0.23 0.96 -0.68 0.00 0.00 175.30 175.82 2weq s ILE 167 N 1.64 5.36 0.11 1.52 -4.36 -1.26 -4.98 121.20 119.23 2weq s ILE 167 Ca 0.62 -0.13 -0.15 0.00 -0.26 0.00 0.00 60.65 60.73 2weq s ILE 167 Cb -0.32 -3.58 -0.06 0.00 1.25 0.00 0.00 42.46 39.74 2weq s ILE 167 CO 0.28 0.24 1.47 1.23 0.24 0.00 0.00 174.94 178.40 2weq h GLY 168 N 3.52 0.75 -5.39 6.27 0.00 -1.96 -3.46 103.07 102.79 2weq h GLY 168 Ca -0.48 -0.69 0.05 0.00 0.00 0.00 0.00 47.33 46.22 2weq h GLY 168 CO 0.71 0.62 0.40 -1.60 0.00 0.00 0.00 176.54 176.68 2weq s ARG 169 N -4.57 0.53 0.00 4.80 3.52 -1.26 -4.74 118.95 117.23 2weq s ARG 169 Ca -0.13 0.66 0.00 0.00 -0.13 0.00 0.00 55.73 56.13 2weq s ARG 169 Cb 0.09 0.25 0.00 0.00 -1.56 0.00 0.00 34.95 33.73 2weq s ARG 169 CO 0.81 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 175.65 2weq n GLY 170 N 2.44 0.42 3.11 8.12 0.00 -0.17 -4.40 105.19 114.71 2weq n GLY 170 Ca -0.13 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 43.96 2weq n GLY 170 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2weq s THR 171 N -1.76 0.04 -0.15 2.61 2.01 -0.96 -0.54 115.64 116.88 2weq s THR 171 Ca 0.00 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 61.70 2weq s THR 171 Cb 0.00 -0.38 0.01 0.00 0.01 0.00 0.00 72.50 72.13 2weq s THR 171 CO 0.00 -0.17 -0.18 -0.63 -0.69 0.00 0.00 174.62 172.95 2weq s ILE 172 N -0.61 2.38 -0.29 1.82 1.01 0.19 -1.23 121.20 124.46 2weq s ILE 172 Ca -0.07 -0.87 -0.15 0.00 0.00 0.00 0.00 60.65 59.56 2weq s ILE 172 Cb -0.04 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 2weq s ILE 172 CO 0.01 0.53 0.39 -0.22 0.00 0.00 0.00 174.94 175.65 2weq s LEU 173 N 0.88 4.16 -0.36 2.97 2.96 0.33 -0.37 118.68 129.25 2weq s LEU 173 Ca -0.05 0.15 -0.03 0.00 -0.22 0.00 0.00 54.13 53.97 2weq s LEU 173 Cb -0.15 -2.44 0.08 0.00 0.50 0.00 0.00 46.19 44.18 2weq s LEU 173 CO -0.02 -0.26 0.13 -0.60 -1.32 0.00 0.00 176.35 174.28 2weq s ARG 174 N 2.11 2.27 -0.26 1.98 3.52 -0.15 -0.74 118.95 127.67 2weq s ARG 174 Ca 0.15 -1.53 -0.15 0.00 -0.13 0.00 0.00 55.73 54.07 2weq s ARG 174 Cb -0.16 -3.45 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 2weq s ARG 174 CO 0.11 -0.86 0.39 -0.51 -0.81 0.00 0.00 175.30 173.62 2weq s LEU 175 N 1.23 4.05 -0.77 -0.88 1.43 -0.03 -1.60 118.68 122.11 2weq s LEU 175 Ca 0.02 0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 53.25 2weq s LEU 175 Cb -0.21 -2.46 0.10 0.00 0.03 0.00 0.00 46.19 43.65 2weq s LEU 175 CO -0.02 -0.19 1.02 -0.36 0.23 0.00 0.00 176.35 177.04 2weq s PHE 176 N 2.04 2.87 0.54 0.29 0.40 -0.67 -1.26 117.98 122.18 2weq s PHE 176 Ca 0.16 -0.93 -0.20 0.00 -0.60 0.00 0.00 56.93 55.36 2weq s PHE 176 Cb -0.16 -4.28 -0.05 0.00 0.51 0.00 0.00 43.02 39.04 2weq s PHE 176 CO 0.10 -1.57 1.17 -0.51 0.70 0.00 0.00 175.22 175.11 2weq s LEU 177 N 3.43 3.79 0.46 -0.37 1.43 -0.13 -2.45 118.68 124.83 2weq s LEU 177 Ca 0.26 2.30 -0.23 0.00 -1.03 0.00 0.00 54.13 55.43 2weq s LEU 177 Cb -0.12 -4.50 -0.07 0.00 0.03 0.00 0.00 46.19 41.53 2weq s LEU 177 CO 0.02 -1.28 1.24 -0.54 0.23 0.00 0.00 176.35 176.01 2weq s LYS 178 N -3.15 3.68 0.56 1.70 1.02 0.19 -4.75 119.74 118.99 2weq s LYS 178 Ca 0.72 1.96 0.30 0.00 0.02 0.00 0.00 55.97 58.97 2weq s LYS 178 Cb -0.28 -2.46 1.46 0.00 -0.52 0.00 0.00 37.83 36.03 2weq s LYS 178 CO 0.31 -0.66 1.88 -0.44 -0.92 0.00 0.00 175.35 175.52 2weq h ASP 179 N 2.09 0.00 0.46 2.83 3.32 -1.94 0.15 116.42 123.33 2weq h ASP 179 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2weq h ASP 179 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2weq h ASP 179 CO 0.60 0.00 -0.14 -0.90 -1.72 0.00 0.00 179.24 177.08 2weq n ASP 180 N -4.02 0.42 -0.91 6.45 5.75 -1.26 -4.05 116.55 118.93 2weq n ASP 180 Ca 0.14 -0.39 0.02 0.00 -0.01 0.00 0.00 54.79 54.55 2weq n ASP 180 Cb 0.84 -0.09 0.21 0.00 -1.03 0.00 0.00 41.12 41.05 2weq n ASP 180 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2weq n GLN 181 N -1.09 2.07 0.00 0.11 1.13 0.54 -4.68 117.38 115.46 2weq n GLN 181 Ca 0.12 -3.02 0.07 0.00 -1.94 0.00 0.00 57.00 52.24 2weq n GLN 181 Cb 0.29 -1.77 0.35 0.00 0.11 0.00 0.00 30.24 29.22 2weq n GLN 181 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2weq n LEU 182 N -0.98 0.00 0.20 1.08 4.77 -1.24 -2.82 117.00 118.00 2weq n LEU 182 Ca 0.27 0.44 0.15 0.00 -0.03 0.00 0.00 56.01 56.84 2weq n LEU 182 Cb 0.92 -0.44 0.77 0.00 -2.33 0.00 0.00 43.42 42.34 2weq n LEU 182 CO 0.14 -0.21 1.13 1.05 -1.33 0.00 0.00 177.39 178.17 2weq h GLU 183 N 0.00 0.00 0.00 3.23 4.11 -1.92 -1.46 114.58 118.53 2weq h GLU 183 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2weq h GLU 183 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2weq h GLU 183 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 179.01 179.74 2weq n TYR 184 N -4.11 0.00 1.18 2.06 4.02 -1.13 -2.17 117.16 117.02 2weq n TYR 184 Ca 0.01 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.04 2weq n TYR 184 Cb 0.27 -0.22 0.67 0.00 -0.02 0.00 0.00 39.34 40.04 2weq n TYR 184 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2weq n LEU 185 N -1.22 0.00 -4.73 7.72 4.77 -0.55 -4.79 117.00 118.19 2weq n LEU 185 Ca 0.12 0.38 -0.35 0.00 -0.03 0.00 0.00 56.01 56.13 2weq n LEU 185 Cb 0.15 -0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 40.78 2weq n LEU 185 CO 0.16 -0.02 -0.20 -1.61 -1.33 0.00 0.00 177.39 174.39 2weq s GLU 186 N -2.76 3.97 0.22 3.23 2.02 -0.92 -4.81 118.70 119.65 2weq s GLU 186 Ca 0.21 -0.24 -0.09 0.00 0.02 0.00 0.00 54.97 54.87 2weq s GLU 186 Cb 0.19 -3.31 0.33 0.00 0.10 0.00 0.00 34.13 31.44 2weq s GLU 186 CO 0.47 0.39 1.70 1.49 0.02 0.00 0.00 175.26 179.32 2weq h GLU 187 N 6.33 0.24 -0.44 1.61 4.81 -1.90 -1.79 114.58 123.44 2weq h GLU 187 Ca -0.43 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 58.67 2weq h GLU 187 Cb 1.17 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 2weq h GLU 187 CO 0.71 0.16 -0.17 -0.22 -0.73 0.00 0.00 179.01 178.76 2weq h LYS 188 N 0.25 0.89 -0.10 1.92 3.64 -1.94 -2.49 116.57 118.74 2weq h LYS 188 Ca 0.34 -0.37 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2weq h LYS 188 Cb 0.53 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2weq h LYS 188 CO -0.44 1.02 0.05 -0.09 -2.27 0.00 0.00 179.45 177.71 2weq h ARG 189 N 0.72 0.14 -0.52 1.90 9.65 -1.73 -2.19 114.38 122.36 2weq h ARG 189 Ca 0.10 -0.02 0.10 0.00 -1.10 0.00 0.00 59.98 59.07 2weq h ARG 189 Cb 0.73 -0.02 -0.09 0.00 -1.39 0.00 0.00 29.97 29.20 2weq h ARG 189 CO 0.06 0.22 -0.04 0.82 2.80 0.00 0.00 179.97 183.83 2weq h ILE 190 N 0.03 0.56 -0.44 1.20 2.04 -1.35 0.18 117.51 119.71 2weq h ILE 190 Ca 0.03 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 2weq h ILE 190 Cb 0.13 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 2weq h ILE 190 CO -0.00 0.01 0.10 0.11 0.00 0.00 0.00 178.15 178.37 2weq h LYS 191 N 0.08 0.72 -0.08 2.37 1.57 -1.36 -0.40 116.57 119.46 2weq h LYS 191 Ca 0.26 -0.18 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 2weq h LYS 191 Cb 0.40 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 2weq h LYS 191 CO -0.47 0.73 -0.11 0.93 -0.57 0.00 0.00 179.45 179.97 2weq h GLU 192 N 0.59 -0.14 -0.83 3.15 5.08 -0.98 -0.58 114.58 120.87 2weq h GLU 192 Ca 0.14 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 2weq h GLU 192 Cb 0.34 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 2weq h GLU 192 CO 0.00 -0.09 0.38 0.28 -1.00 0.00 0.00 179.01 178.58 2weq h VAL 193 N -0.14 1.26 -0.08 3.13 2.07 -0.69 -0.74 116.25 121.05 2weq h VAL 193 Ca 0.07 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 2weq h VAL 193 Cb 0.24 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2weq h VAL 193 CO -0.17 0.32 0.02 0.40 0.02 0.00 0.00 177.57 178.16 2weq h ILE 194 N 1.18 1.18 -0.57 4.57 1.08 -0.94 -2.80 117.51 121.21 2weq h ILE 194 Ca 0.28 -0.53 -0.01 0.00 -0.39 0.00 0.00 64.86 64.21 2weq h ILE 194 Cb 0.14 1.38 -0.03 0.00 -3.07 0.00 0.00 36.82 35.25 2weq h ILE 194 CO -0.03 0.15 0.32 0.50 -0.69 0.00 0.00 178.15 178.40 2weq h LYS 195 N -0.06 0.78 -0.31 2.37 3.11 -0.98 0.36 116.57 121.85 2weq h LYS 195 Ca 0.03 -0.07 -0.11 0.00 -2.81 0.00 0.00 60.65 57.68 2weq h LYS 195 Cb 0.22 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.28 2weq h LYS 195 CO -0.00 0.57 -0.25 -0.09 -2.81 0.00 0.00 179.45 176.86 2weq h ARG 196 N 0.79 0.72 0.00 1.90 2.43 -1.03 -3.39 114.38 115.80 2weq h ARG 196 Ca 0.20 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2weq h ARG 196 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2weq h ARG 196 CO -0.04 0.97 0.00 0.72 -1.51 0.00 0.00 179.97 180.12 2weq n HIS 197 N -4.27 0.00 -2.49 2.20 8.25 -1.06 -4.74 115.22 113.11 2weq n HIS 197 Ca -0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.30 2weq n HIS 197 Cb 0.45 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.59 2weq n HIS 197 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2weq n SER 198 N -0.40 3.10 -0.08 0.41 7.64 0.11 -4.89 113.62 119.51 2weq n SER 198 Ca 0.00 -2.91 -0.04 0.00 1.01 0.00 0.00 58.87 56.94 2weq n SER 198 Cb 0.03 -0.43 0.19 0.00 -1.01 0.00 0.00 64.21 62.98 2weq n SER 198 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2weq h GLU 199 N 2.50 0.72 -3.27 1.43 4.81 -1.75 -3.38 114.58 115.64 2weq h GLU 199 Ca 0.09 -0.19 -0.70 0.00 -0.13 0.00 0.00 59.36 58.43 2weq h GLU 199 Cb 1.32 -0.08 -0.36 0.00 0.63 0.00 0.00 28.75 30.26 2weq h GLU 199 CO 0.50 0.75 -0.11 1.19 -0.73 0.00 0.00 179.01 180.61 2weq n PHE 200 N -4.22 4.15 -5.11 0.92 3.01 -1.26 -5.01 117.46 109.94 2weq n PHE 200 Ca 0.02 -4.12 -0.29 0.00 1.01 0.00 0.00 57.45 54.06 2weq n PHE 200 Cb 0.30 -1.10 -0.16 0.00 -0.01 0.00 0.00 39.48 38.50 2weq n PHE 200 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2weq s VAL 201 N -1.44 1.82 -1.09 -4.37 1.01 -1.26 -5.02 120.40 110.05 2weq s VAL 201 Ca 0.28 -0.94 0.29 0.00 0.00 0.00 0.00 61.98 61.61 2weq s VAL 201 Cb -0.06 -1.55 0.27 0.00 0.00 0.00 0.00 36.38 35.04 2weq s VAL 201 CO -0.13 0.51 1.89 0.00 0.00 0.00 0.00 175.10 177.38 2weq n ALA 202 N 3.01 2.50 -2.60 5.51 0.00 -1.26 -4.86 120.51 122.81 2weq n ALA 202 Ca -0.18 -0.14 -0.28 0.00 0.00 0.00 0.00 53.44 52.85 2weq n ALA 202 Cb 0.52 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.45 2weq n ALA 202 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2weq s TYR 203 N -2.91 2.73 0.31 0.00 1.51 -1.26 -5.10 117.35 112.62 2weq s TYR 203 Ca 0.16 -0.17 -0.29 0.00 -1.01 0.00 0.00 57.07 55.76 2weq s TYR 203 Cb 0.19 -1.37 -0.10 0.00 -0.11 0.00 0.00 41.96 40.57 2weq s TYR 203 CO 0.53 0.48 1.25 -1.25 -1.11 0.00 0.00 175.55 175.45 2weq s PRO 204 N -2.60 4.44 -0.28 -1.71 0.04 -1.26 -4.89 135.00 128.73 2weq s PRO 204 Ca 0.24 2.09 -0.05 0.00 0.04 0.00 0.00 61.00 63.31 2weq s PRO 204 Cb -0.10 -3.11 0.01 0.00 0.04 0.00 0.00 34.50 31.34 2weq s PRO 204 CO 0.15 -0.08 0.04 0.42 0.04 0.00 0.00 177.00 177.58 2weq s ILE 205 N -1.05 3.69 -0.00 0.56 1.01 -1.26 -1.61 121.20 122.54 2weq s ILE 205 Ca 0.48 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 60.37 2weq s ILE 205 Cb -0.37 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 2weq s ILE 205 CO 0.48 0.12 0.09 -1.10 0.00 0.00 0.00 174.94 174.54 2weq s GLN 206 N 1.46 3.10 -0.09 2.79 -0.21 0.75 -5.01 119.66 122.46 2weq s GLN 206 Ca 0.02 -0.47 0.03 0.00 0.02 0.00 0.00 55.36 54.96 2weq s GLN 206 Cb -0.17 -2.88 0.01 0.00 1.00 0.00 0.00 33.01 30.97 2weq s GLN 206 CO 0.01 0.65 -0.19 -1.17 -2.12 0.00 0.00 175.29 172.46 2weq s LEU 207 N -1.77 1.90 -0.29 2.90 2.96 -1.26 -0.38 118.68 122.74 2weq s LEU 207 Ca 0.23 -0.45 -0.11 0.00 -0.22 0.00 0.00 54.13 53.59 2weq s LEU 207 Cb -0.12 -1.17 -0.03 0.00 0.50 0.00 0.00 46.19 45.37 2weq s LEU 207 CO 0.14 0.11 0.18 -0.69 -1.32 0.00 0.00 176.35 174.77 2weq s VAL 208 N 0.49 5.06 -0.05 1.68 1.01 -0.06 -4.95 120.40 123.57 2weq s VAL 208 Ca -0.17 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 61.80 2weq s VAL 208 Cb -0.17 -3.47 -0.00 0.00 0.00 0.00 0.00 36.38 32.74 2weq s VAL 208 CO 0.07 0.18 -0.19 -0.69 0.00 0.00 0.00 175.10 174.46 2weq s VAL 209 N 1.71 1.59 -0.25 2.92 1.01 -1.26 -4.23 120.40 121.88 2weq s VAL 209 Ca 0.06 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 2weq s VAL 209 Cb -0.16 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 2weq s VAL 209 CO 0.09 0.45 0.09 -0.89 0.00 0.00 0.00 175.10 174.84 2weq s THR 210 N 0.09 4.48 0.08 3.92 2.01 -1.26 -5.11 115.64 119.84 2weq s THR 210 Ca -0.06 -0.12 0.06 0.00 0.31 0.00 0.00 61.69 61.88 2weq s THR 210 Cb -0.13 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 2weq s THR 210 CO 0.03 0.33 -0.17 -1.59 -0.69 0.00 0.00 174.62 172.53 2weq s LYS 211 N 1.59 0.99 0.20 4.92 -2.85 -1.26 -5.13 119.74 118.19 2weq s LYS 211 Ca 0.06 -1.01 -0.30 0.00 -1.00 0.00 0.00 55.97 53.72 2weq s LYS 211 Cb -0.15 -1.10 -0.08 0.00 -2.06 0.00 0.00 37.83 34.44 2weq s LYS 211 CO 0.05 0.26 1.13 -2.00 0.10 0.00 0.00 175.35 174.89 2weq s GLU 212 N -1.70 4.56 -0.22 1.78 2.12 -1.26 -4.98 118.70 119.01 2weq s GLU 212 Ca 0.02 1.79 -0.27 0.00 0.36 0.00 0.00 54.97 56.87 2weq s GLU 212 Cb -0.10 -3.25 -0.00 0.00 0.26 0.00 0.00 34.13 31.04 2weq s GLU 212 CO 0.03 0.04 0.92 0.08 -0.54 0.00 0.00 175.26 175.79 2weq s VAL 213 N -0.32 4.78 -1.90 3.70 1.01 -1.26 -5.35 120.40 121.05 2weq s VAL 213 Ca 0.50 1.78 0.15 0.00 0.00 0.00 0.00 61.98 64.41 2weq s VAL 213 Cb -0.31 -4.21 0.12 0.00 0.00 0.00 0.00 36.38 31.99 2weq s VAL 213 CO 0.37 -0.10 0.98 1.21 0.00 0.00 0.00 175.10 177.56