#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1why s SER 75 N 0.00 3.93 0.67 1.61 0.01 -1.26 -5.11 113.70 113.55 1why s SER 75 Ca 0.00 -2.87 -0.16 0.00 1.31 0.00 0.00 55.95 54.23 1why s SER 75 Cb 0.00 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 64.94 1why s SER 75 CO 0.00 -0.24 1.17 -0.44 0.41 0.00 0.00 173.24 174.15 1why s SER 76 N -0.03 4.80 0.64 2.44 0.01 -1.26 -5.01 113.70 115.29 1why s SER 76 Ca 0.18 2.25 -0.11 0.00 1.31 0.00 0.00 55.95 59.58 1why s SER 76 Cb -0.23 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.39 1why s SER 76 CO -0.01 -1.85 1.04 -0.83 0.41 0.00 0.00 173.24 172.00 1why s GLY 77 N -2.07 1.65 0.10 3.44 0.00 -1.26 -5.09 107.32 104.09 1why s GLY 77 Ca 0.73 -0.15 0.08 0.00 0.00 0.00 0.00 44.72 45.37 1why s GLY 77 CO 0.40 0.14 -0.20 -0.56 0.00 0.00 0.00 173.10 172.88 1why s SER 78 N -4.22 2.48 0.89 1.64 0.01 -1.26 -5.13 113.70 108.11 1why s SER 78 Ca 0.56 -0.67 -0.11 0.00 1.31 0.00 0.00 55.95 57.04 1why s SER 78 Cb -0.11 -0.14 0.11 0.00 0.21 0.00 0.00 66.02 66.09 1why s SER 78 CO 0.53 0.06 1.02 -0.24 0.41 0.00 0.00 173.24 175.02 1why n SER 79 N 1.16 0.04 -4.43 2.44 2.88 -1.26 -4.95 113.62 109.51 1why n SER 79 Ca -0.19 0.45 -0.44 0.00 -1.33 0.00 0.00 58.87 57.36 1why n SER 79 Cb 0.54 -1.43 -0.07 0.00 -0.75 0.00 0.00 64.21 62.49 1why n SER 79 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1why s GLY 80 N -2.38 1.88 -0.04 0.46 0.00 -1.26 -4.93 107.32 101.05 1why s GLY 80 Ca 0.67 -1.85 -0.25 0.00 0.00 0.00 0.00 44.72 43.28 1why s GLY 80 CO 0.58 1.31 1.17 0.50 0.00 0.00 0.00 173.10 176.66 1why h LYS 81 N 8.89 0.07 -6.24 2.90 1.57 -2.08 -3.45 116.57 118.23 1why h LYS 81 Ca -0.28 -0.05 -0.46 0.00 -1.87 0.00 0.00 60.65 57.99 1why h LYS 81 Cb 1.10 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 1why h LYS 81 CO 0.92 0.66 -0.39 0.96 -0.57 0.00 0.00 179.45 181.03 1why s ILE 82 N -3.79 5.14 0.00 1.86 -4.36 -1.26 -5.10 121.20 113.69 1why s ILE 82 Ca -0.16 -0.92 0.00 0.00 -0.26 0.00 0.00 60.65 59.31 1why s ILE 82 Cb 0.01 -3.82 0.00 0.00 1.25 0.00 0.00 42.46 39.90 1why s ILE 82 CO 0.70 -0.35 0.00 0.61 0.24 0.00 0.00 174.94 176.14 1why n GLY 83 N -1.48 3.10 3.60 6.27 0.00 -1.26 -5.18 105.19 110.24 1why n GLY 83 Ca -0.08 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.25 1why n GLY 83 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1why s TYR 84 N -2.00 -0.30 -0.55 1.61 1.13 -1.26 -5.09 117.35 110.89 1why s TYR 84 Ca 0.00 0.58 0.06 0.00 -1.41 0.00 0.00 57.07 56.30 1why s TYR 84 Cb 0.00 0.45 0.32 0.00 -1.10 0.00 0.00 41.96 41.63 1why s TYR 84 CO 0.00 -0.25 0.87 0.41 -2.51 0.00 0.00 175.55 174.07 1why n GLY 85 N 0.99 5.07 1.66 5.49 0.00 -1.26 -4.82 105.19 112.32 1why n GLY 85 Ca -0.09 -2.57 0.03 0.00 0.00 0.00 0.00 46.02 43.38 1why n GLY 85 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1why n LYS 86 N 0.08 3.90 -3.33 1.61 2.85 -1.26 -4.93 118.16 117.08 1why n LYS 86 Ca 0.30 -3.07 -0.39 0.00 -1.05 0.00 0.00 58.31 54.09 1why n LYS 86 Cb 0.44 -2.13 -0.09 0.00 -0.65 0.00 0.00 35.03 32.60 1why n LYS 86 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1why s ALA 87 N -2.89 3.57 0.45 0.58 0.00 -1.26 -5.06 121.76 117.16 1why s ALA 87 Ca 0.52 -0.76 -0.24 0.00 0.00 0.00 0.00 51.96 51.48 1why s ALA 87 Cb 0.41 -2.78 -0.07 0.00 0.00 0.00 0.00 23.12 20.67 1why s ALA 87 CO 0.13 -0.71 1.27 0.54 0.00 0.00 0.00 175.76 176.99 1why s ASN 88 N 1.61 6.03 -0.13 0.00 2.20 -1.26 -4.94 114.94 118.45 1why s ASN 88 Ca 0.17 2.57 -0.29 0.00 -0.94 0.00 0.00 52.86 54.37 1why s ASN 88 Cb -0.16 -2.63 -0.04 0.00 -2.00 0.00 0.00 41.25 36.43 1why s ASN 88 CO 0.10 -1.04 1.55 -2.16 -2.94 0.00 0.00 177.10 172.61 1why s PRO 89 N -2.53 4.08 0.02 3.55 0.04 -1.26 -4.88 135.00 134.02 1why s PRO 89 Ca 0.62 1.91 0.05 0.00 0.04 0.00 0.00 61.00 63.62 1why s PRO 89 Cb -0.36 -3.95 -0.02 0.00 0.04 0.00 0.00 34.50 30.22 1why s PRO 89 CO 0.44 -0.95 -0.14 -0.08 0.04 0.00 0.00 177.00 176.31 1why s THR 90 N 4.26 1.14 0.48 1.26 -1.32 -1.26 -5.01 115.64 115.18 1why s THR 90 Ca 0.68 -0.88 0.34 0.00 -1.21 0.00 0.00 61.69 60.62 1why s THR 90 Cb -0.28 -1.01 0.54 0.00 -1.51 0.00 0.00 72.50 70.24 1why s THR 90 CO 0.26 0.11 1.67 0.71 -2.21 0.00 0.00 174.62 175.16 1why h THR 91 N 4.59 0.21 -3.62 5.08 1.35 -1.84 -3.39 112.91 115.29 1why h THR 91 Ca -0.37 -0.03 -0.51 0.00 -0.55 0.00 0.00 66.41 64.95 1why h THR 91 Cb 1.17 0.11 -0.02 0.00 -1.73 0.00 0.00 68.15 67.68 1why h THR 91 CO 0.45 0.02 0.32 -0.60 -0.25 0.00 0.00 175.52 175.47 1why s ARG 92 N -5.17 4.73 0.09 4.72 3.52 -1.26 -2.79 118.95 122.80 1why s ARG 92 Ca -0.07 1.41 0.07 0.00 -0.13 0.00 0.00 55.73 57.02 1why s ARG 92 Cb 0.27 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 30.30 1why s ARG 92 CO 0.83 0.37 -0.19 -0.51 -0.81 0.00 0.00 175.30 174.99 1why s LEU 93 N -0.57 2.28 -0.30 -0.88 1.43 -0.04 -3.55 118.68 117.05 1why s LEU 93 Ca 0.43 -0.65 -0.06 0.00 -1.03 0.00 0.00 54.13 52.82 1why s LEU 93 Cb -0.24 -0.80 0.02 0.00 0.03 0.00 0.00 46.19 45.20 1why s LEU 93 CO 0.30 0.03 0.07 0.86 0.23 0.00 0.00 176.35 177.84 1why s TRP 94 N -1.15 3.17 -0.13 0.29 -0.00 0.11 -1.67 118.94 119.55 1why s TRP 94 Ca 0.04 -1.17 -0.07 0.00 -0.00 0.00 0.00 56.10 54.90 1why s TRP 94 Cb -0.10 -2.23 -0.04 0.00 -0.00 0.00 0.00 33.47 31.10 1why s TRP 94 CO 0.04 -0.64 0.11 0.08 -0.00 0.00 0.00 176.95 176.54 1why s VAL 95 N 1.45 5.28 0.09 5.86 1.01 -0.33 -1.26 120.40 132.49 1why s VAL 95 Ca 0.01 0.12 -0.09 0.00 0.00 0.00 0.00 61.98 62.03 1why s VAL 95 Cb -0.18 -3.30 -0.00 0.00 0.00 0.00 0.00 36.38 32.90 1why s VAL 95 CO 0.02 0.59 0.19 -0.83 0.00 0.00 0.00 175.10 175.07 1why s GLY 96 N -0.80 0.08 0.00 4.51 0.00 0.22 -2.12 107.32 109.22 1why s GLY 96 Ca 0.13 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.26 1why s GLY 96 CO 0.03 -0.78 0.00 0.61 0.00 0.00 0.00 173.10 172.96 1why n GLY 97 N -0.02 1.27 3.92 0.20 0.00 -1.26 -1.80 105.19 107.50 1why n GLY 97 Ca -0.15 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 1why n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1why s LEU 98 N -0.13 2.63 0.00 0.99 1.43 -1.26 -4.85 118.68 117.49 1why s LEU 98 Ca 0.00 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 1why s LEU 98 Cb 0.00 -2.88 0.00 0.00 0.03 0.00 0.00 46.19 43.34 1why s LEU 98 CO 0.00 -2.14 0.00 0.61 0.23 0.00 0.00 176.35 175.05 1why n GLY 99 N -3.40 2.55 0.06 -3.19 0.00 -1.26 -5.03 105.19 94.92 1why n GLY 99 Ca 0.11 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 1why n GLY 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1why h PRO 100 N 0.00 -0.02 0.42 1.61 0.13 -2.04 -3.32 132.00 128.78 1why h PRO 100 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1why h PRO 100 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1why h PRO 100 CO 0.00 0.46 -0.29 -2.95 -0.23 0.00 0.00 178.00 174.99 1why h ASN 101 N -0.51 -0.75 -1.82 1.44 7.08 -2.02 -3.43 115.58 115.57 1why h ASN 101 Ca -0.00 0.05 -0.65 0.00 -3.08 0.00 0.00 56.30 52.62 1why h ASN 101 Cb 0.49 0.23 0.09 0.00 -2.08 0.00 0.00 38.32 37.05 1why h ASN 101 CO 0.00 -0.45 0.05 0.41 -2.08 0.00 0.00 177.43 175.36 1why n THR 102 N -5.42 1.37 -4.10 6.14 -1.04 -1.25 -4.98 114.28 104.99 1why n THR 102 Ca -0.11 -0.34 -0.14 0.00 -2.04 0.00 0.00 64.05 61.42 1why n THR 102 Cb 0.32 -0.65 -0.12 0.00 -1.82 0.00 0.00 70.33 68.06 1why n THR 102 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1why s SER 103 N -0.37 0.78 0.15 8.00 0.15 -1.26 -4.74 113.70 116.41 1why s SER 103 Ca 0.68 -0.39 -0.29 0.00 0.70 0.00 0.00 55.95 56.66 1why s SER 103 Cb -0.86 -0.00 -0.04 0.00 -1.71 0.00 0.00 66.02 63.41 1why s SER 103 CO 0.56 -0.11 1.56 0.25 1.20 0.00 0.00 173.24 176.70 1why h LEU 104 N 5.05 -1.60 -0.40 3.45 6.46 -1.99 -1.13 115.31 125.14 1why h LEU 104 Ca -0.33 0.23 0.08 0.00 -0.12 0.00 0.00 57.88 57.74 1why h LEU 104 Cb 1.20 0.68 -0.08 0.00 -0.73 0.00 0.00 40.66 41.73 1why h LEU 104 CO 0.44 -0.38 -0.15 0.00 -0.62 0.00 0.00 178.44 177.73 1why h ALA 105 N 0.25 0.19 -0.37 1.25 0.00 -1.98 0.46 119.26 119.07 1why h ALA 105 Ca 0.12 0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1why h ALA 105 Cb 0.59 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 1why h ALA 105 CO -0.59 -0.50 -0.44 0.00 0.00 0.00 0.00 179.25 177.72 1why h ALA 106 N 1.28 -0.65 0.66 0.00 0.00 -1.64 0.88 119.26 119.79 1why h ALA 106 Ca 0.20 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1why h ALA 106 Cb 0.36 1.06 0.01 0.00 0.00 0.00 0.00 17.79 19.22 1why h ALA 106 CO -0.45 -0.87 -0.33 -0.07 0.00 0.00 0.00 179.25 177.53 1why h LEU 107 N -0.28 -0.78 -0.81 0.00 3.38 -1.03 -2.57 115.31 113.21 1why h LEU 107 Ca 0.06 0.03 0.26 0.00 0.09 0.00 0.00 57.88 58.33 1why h LEU 107 Cb 0.45 0.21 -0.15 0.00 0.09 0.00 0.00 40.66 41.25 1why h LEU 107 CO -0.49 -0.55 0.16 0.00 0.09 0.00 0.00 178.44 177.65 1why n ALA 108 N -2.46 0.55 -0.22 1.53 0.00 0.12 0.23 120.51 120.25 1why n ALA 108 Ca -0.11 0.86 -0.07 0.00 0.00 0.00 0.00 53.44 54.11 1why n ALA 108 Cb 0.36 -0.70 0.03 0.00 0.00 0.00 0.00 19.45 19.14 1why n ALA 108 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1why h ARG 109 N 0.00 0.94 0.35 0.00 9.65 -0.60 0.14 114.38 124.86 1why h ARG 109 Ca 0.56 -0.17 -0.02 0.00 -1.10 0.00 0.00 59.98 59.25 1why h ARG 109 Cb 1.29 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.72 1why h ARG 109 CO -0.72 0.79 -0.17 0.93 2.80 0.00 0.00 179.97 183.61 1why h GLU 110 N 0.88 -0.45 -0.91 0.20 4.39 0.32 -2.79 114.58 116.22 1why h GLU 110 Ca 0.21 0.03 0.18 0.00 0.34 0.00 0.00 59.36 60.12 1why h GLU 110 Cb 0.21 0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 28.89 1why h GLU 110 CO -0.02 -0.30 0.59 0.74 -1.16 0.00 0.00 179.01 178.86 1why h PHE 111 N -0.83 0.73 -0.18 4.33 -1.00 -0.89 -1.10 116.94 117.99 1why h PHE 111 Ca -0.05 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.77 1why h PHE 111 Cb 0.36 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.68 1why h PHE 111 CO 0.03 0.22 0.09 0.22 -1.61 0.00 0.00 178.31 177.26 1why h ASP 112 N 0.57 0.13 -0.99 2.17 1.82 -0.75 -2.79 116.42 116.58 1why h ASP 112 Ca 0.47 0.01 0.19 0.00 -0.39 0.00 0.00 57.03 57.32 1why h ASP 112 Cb 0.94 -0.02 -0.18 0.00 0.68 0.00 0.00 39.33 40.75 1why h ASP 112 CO -0.22 0.10 -0.26 0.54 -1.61 0.00 0.00 179.24 177.79 1why n ARG 113 N -5.01 -0.11 0.29 0.28 1.74 -0.42 -0.45 116.66 112.99 1why n ARG 113 Ca -0.03 1.54 -0.16 0.00 -0.77 0.00 0.00 57.85 58.42 1why n ARG 113 Cb 0.05 -2.29 -0.08 0.00 -1.02 0.00 0.00 32.46 29.11 1why n ARG 113 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1why h PHE 114 N 0.00 -0.75 -3.08 -1.55 0.04 -1.56 -3.46 116.94 106.58 1why h PHE 114 Ca 0.46 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 61.18 1why h PHE 114 Cb 0.71 0.26 -0.13 0.00 2.20 0.00 0.00 35.95 38.99 1why h PHE 114 CO -0.77 -0.45 0.09 0.20 -0.60 0.00 0.00 178.31 176.79 1why s GLY 115 N -2.14 -0.48 0.18 -1.45 0.00 0.41 -4.94 107.32 98.89 1why s GLY 115 Ca -0.17 0.35 -0.32 0.00 0.00 0.00 0.00 44.72 44.58 1why s GLY 115 CO 0.63 0.04 1.75 1.44 0.00 0.00 0.00 173.10 176.96 1why n SER 116 N -0.20 3.94 -4.82 1.64 7.64 -1.26 -4.14 113.62 116.42 1why n SER 116 Ca -0.17 1.04 -0.38 0.00 1.01 0.00 0.00 58.87 60.37 1why n SER 116 Cb 0.64 -1.55 -0.06 0.00 -1.01 0.00 0.00 64.21 62.22 1why n SER 116 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1why s ILE 117 N 1.60 5.05 -0.14 0.44 1.01 -1.26 -2.42 121.20 125.47 1why s ILE 117 Ca 0.77 0.85 -0.17 0.00 0.00 0.00 0.00 60.65 62.11 1why s ILE 117 Cb -0.51 -3.72 -0.14 0.00 0.01 0.00 0.00 42.46 38.09 1why s ILE 117 CO 0.34 0.55 0.35 -0.09 0.00 0.00 0.00 174.94 176.09 1why h ARG 118 N 4.97 0.00 -2.42 2.79 2.43 -1.15 -3.48 114.38 117.52 1why h ARG 118 Ca -0.50 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.63 1why h ARG 118 Cb 1.21 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 30.60 1why h ARG 118 CO 0.63 0.58 0.22 -0.08 -1.51 0.00 0.00 179.97 179.81 1why s THR 119 N -2.03 0.00 -0.01 0.20 -1.32 -1.26 -5.03 115.64 106.19 1why s THR 119 Ca -0.14 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.34 1why s THR 119 Cb -0.00 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.00 1why s THR 119 CO 0.41 0.00 0.00 -0.63 -2.21 0.00 0.00 174.62 172.19 1why s ILE 120 N -2.33 0.09 -0.13 5.08 1.01 -1.26 -3.35 121.20 120.31 1why s ILE 120 Ca -0.05 0.05 -0.25 0.00 0.00 0.00 0.00 60.65 60.40 1why s ILE 120 Cb -0.00 -0.15 -0.02 0.00 0.01 0.00 0.00 42.46 42.29 1why s ILE 120 CO -0.01 0.08 0.79 -1.81 0.00 0.00 0.00 174.94 173.99 1why s ASP 121 N 0.56 6.97 -0.41 3.58 1.11 -1.25 -4.99 116.67 122.22 1why s ASP 121 Ca -0.05 1.18 -0.04 0.00 0.18 0.00 0.00 52.55 53.82 1why s ASP 121 Cb -0.08 -2.44 0.11 0.00 1.07 0.00 0.00 42.92 41.58 1why s ASP 121 CO -0.01 -0.30 0.22 -1.38 1.18 0.00 0.00 175.17 174.87 1why s HIS 122 N 1.69 3.57 -0.08 4.23 -3.43 -1.26 -4.51 115.29 115.50 1why s HIS 122 Ca 0.38 -2.36 -0.07 0.00 -0.80 0.00 0.00 55.06 52.21 1why s HIS 122 Cb -0.17 -3.25 0.02 0.00 -1.43 0.00 0.00 32.58 27.75 1why s HIS 122 CO 0.15 -0.97 0.21 0.08 -2.00 0.00 0.00 174.74 172.20 1why s VAL 123 N 1.17 -0.00 -0.08 -5.38 1.01 -1.26 -5.05 120.40 110.80 1why s VAL 123 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.97 1why s VAL 123 Cb -0.23 -0.30 -0.29 0.00 0.00 0.00 0.00 36.38 35.57 1why s VAL 123 CO -0.04 0.00 0.53 0.07 0.00 0.00 0.00 175.10 175.66 1why h LYS 124 N 5.86 0.33 0.23 2.72 5.09 -1.97 -3.29 116.57 125.54 1why h LYS 124 Ca -0.26 -0.57 -0.00 0.00 0.09 0.00 0.00 60.65 59.91 1why h LYS 124 Cb 1.19 0.21 -0.01 0.00 0.10 0.00 0.00 32.23 33.73 1why h LYS 124 CO 0.38 1.27 -0.15 0.78 -2.09 0.00 0.00 179.45 179.63 1why h GLY 125 N 0.80 -0.38 1.18 0.07 0.00 -1.98 -2.51 103.07 100.25 1why h GLY 125 Ca -0.38 0.17 0.06 0.00 0.00 0.00 0.00 47.33 47.18 1why h GLY 125 CO 0.13 -0.16 0.41 -0.55 0.00 0.00 0.00 176.54 176.37 1why h ASP 126 N -0.38 0.53 -1.77 0.19 3.32 -2.00 -3.45 116.42 112.85 1why h ASP 126 Ca -0.02 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.73 1why h ASP 126 Cb 0.32 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 1why h ASP 126 CO 0.01 0.35 -0.36 -1.20 -1.72 0.00 0.00 179.24 176.32 1why n SER 127 N -4.47 -4.66 -3.47 6.45 7.64 -0.95 -4.97 113.62 109.19 1why n SER 127 Ca 0.09 0.09 -0.11 0.00 1.01 0.00 0.00 58.87 59.95 1why n SER 127 Cb 0.23 -3.71 -0.02 0.00 -1.01 0.00 0.00 64.21 59.70 1why n SER 127 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1why s PHE 128 N -2.71 -0.47 -0.04 1.43 -0.12 -1.26 -4.02 117.98 110.80 1why s PHE 128 Ca 0.00 0.25 -0.12 0.00 -0.05 0.00 0.00 56.93 57.01 1why s PHE 128 Cb 0.00 0.57 0.02 0.00 -0.63 0.00 0.00 43.02 42.98 1why s PHE 128 CO 0.00 -0.82 0.27 0.00 -0.05 0.00 0.00 175.22 174.62 1why s ALA 129 N -3.63 -0.68 -0.22 1.99 0.00 -0.90 -4.59 121.76 113.72 1why s ALA 129 Ca 0.03 0.37 -0.06 0.00 0.00 0.00 0.00 51.96 52.29 1why s ALA 129 Cb -0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 1why s ALA 129 CO -0.11 -0.22 0.02 0.71 0.00 0.00 0.00 175.76 176.17 1why s TYR 130 N -0.96 3.05 -0.17 0.00 1.51 -1.26 -1.18 117.35 118.33 1why s TYR 130 Ca -0.10 -0.52 -0.07 0.00 -1.01 0.00 0.00 57.07 55.37 1why s TYR 130 Cb -0.05 -2.16 -0.04 0.00 -0.11 0.00 0.00 41.96 39.61 1why s TYR 130 CO 0.03 -0.34 0.06 0.42 -1.11 0.00 0.00 175.55 174.61 1why s ILE 131 N 1.34 4.76 -0.16 2.71 1.01 -0.67 -3.88 121.20 126.30 1why s ILE 131 Ca 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 60.65 60.62 1why s ILE 131 Cb -0.15 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 39.17 1why s ILE 131 CO 0.02 0.47 -0.05 -1.58 0.00 0.00 0.00 174.94 173.80 1why s GLN 132 N 0.25 3.57 -0.02 2.79 2.00 -1.21 -0.86 119.66 126.18 1why s GLN 132 Ca 0.04 -0.57 -0.01 0.00 -2.00 0.00 0.00 55.36 52.82 1why s GLN 132 Cb -0.12 -2.89 -0.04 0.00 0.80 0.00 0.00 33.01 30.76 1why s GLN 132 CO 0.00 0.16 0.08 0.71 -0.50 0.00 0.00 175.29 175.74 1why s TYR 133 N 0.57 3.30 0.37 1.67 2.02 -1.12 -0.51 117.35 123.65 1why s TYR 133 Ca -0.04 0.22 0.08 0.00 -0.37 0.00 0.00 57.07 56.96 1why s TYR 133 Cb -0.15 -1.75 0.79 0.00 -0.40 0.00 0.00 41.96 40.45 1why s TYR 133 CO 0.03 0.56 1.93 0.93 -1.57 0.00 0.00 175.55 177.42 1why h GLU 134 N 4.23 0.69 -6.00 -0.62 5.08 -1.83 -3.43 114.58 112.70 1why h GLU 134 Ca -0.50 -0.04 -0.56 0.00 -1.00 0.00 0.00 59.36 57.26 1why h GLU 134 Cb 1.19 -0.16 -0.14 0.00 0.50 0.00 0.00 28.75 30.14 1why h GLU 134 CO 0.61 0.46 -0.75 -1.12 -1.00 0.00 0.00 179.01 177.21 1why s SER 135 N -6.06 3.28 -0.04 1.42 0.01 -1.26 -5.06 113.70 105.99 1why s SER 135 Ca -0.10 -1.04 -0.24 0.00 1.31 0.00 0.00 55.95 55.89 1why s SER 135 Cb 0.20 -0.25 -0.23 0.00 0.21 0.00 0.00 66.02 65.95 1why s SER 135 CO 0.78 -0.04 1.06 0.25 0.41 0.00 0.00 173.24 175.70 1why h LEU 136 N 2.34 0.25 -0.22 2.44 6.46 -1.94 -3.14 115.31 121.51 1why h LEU 136 Ca -0.40 -0.75 0.06 0.00 -0.12 0.00 0.00 57.88 56.68 1why h LEU 136 Cb 1.25 -0.08 -0.07 0.00 -0.73 0.00 0.00 40.66 41.03 1why h LEU 136 CO 0.61 0.96 -0.24 -0.78 -0.62 0.00 0.00 178.44 178.37 1why h ASP 137 N -0.44 -0.77 -0.90 1.25 1.82 -1.98 -1.05 116.42 114.37 1why h ASP 137 Ca -0.03 0.14 0.15 0.00 -0.39 0.00 0.00 57.03 56.89 1why h ASP 137 Cb 0.99 0.36 -0.09 0.00 0.68 0.00 0.00 39.33 41.27 1why h ASP 137 CO 0.05 -0.28 0.50 0.00 -1.61 0.00 0.00 179.24 177.90 1why h ALA 138 N 0.77 1.38 -0.18 -0.78 0.00 -1.93 -1.36 119.26 117.16 1why h ALA 138 Ca 0.13 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1why h ALA 138 Cb 0.46 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1why h ALA 138 CO -0.37 -0.02 -0.03 0.00 0.00 0.00 0.00 179.25 178.82 1why h ALA 139 N 1.56 0.13 -0.84 0.00 0.00 -1.16 -2.14 119.26 116.82 1why h ALA 139 Ca 0.49 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 1why h ALA 139 Cb 0.66 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1why h ALA 139 CO -0.34 -0.47 0.48 1.96 0.00 0.00 0.00 179.25 180.87 1why h GLN 140 N 0.02 1.16 0.37 0.00 4.20 -0.74 -1.08 115.11 119.03 1why h GLN 140 Ca 0.09 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1why h GLN 140 Cb 0.12 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 1why h GLN 140 CO -0.17 0.84 -0.42 0.00 -0.67 0.00 0.00 178.83 178.40 1why h ALA 141 N 1.35 -0.90 0.49 3.87 0.00 -0.67 -2.27 119.26 121.13 1why h ALA 141 Ca 0.30 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1why h ALA 141 Cb 0.00 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1why h ALA 141 CO -0.05 -1.05 -0.23 0.00 0.00 0.00 0.00 179.25 177.91 1why h ALA 142 N -0.48 -0.66 -0.90 0.00 0.00 -1.30 -2.74 119.26 113.18 1why h ALA 142 Ca -0.03 -0.16 0.25 0.00 0.00 0.00 0.00 54.91 54.97 1why h ALA 142 Cb 0.75 0.25 -0.17 0.00 0.00 0.00 0.00 17.79 18.63 1why h ALA 142 CO -0.10 -0.83 0.01 0.00 0.00 0.00 0.00 179.25 178.34 1why h ALA 144 N 1.81 -0.78 -0.65 0.00 0.00 -1.23 -1.74 119.26 116.67 1why h ALA 144 Ca 0.55 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.52 1why h ALA 144 Cb 1.12 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 1why h ALA 144 CO -0.85 -0.78 -0.57 0.87 0.00 0.00 0.00 179.25 177.92 1why h LYS 145 N -0.02 -0.22 -0.66 0.00 6.56 -1.00 0.09 116.57 121.31 1why h LYS 145 Ca -0.00 0.02 0.13 0.00 -1.06 0.00 0.00 60.65 59.73 1why h LYS 145 Cb 0.01 0.05 -0.13 0.00 -0.57 0.00 0.00 32.23 31.60 1why h LYS 145 CO 0.00 -0.15 -0.18 0.52 -2.06 0.00 0.00 179.45 177.58 1why h MET 146 N -0.23 -0.02 -5.28 3.15 2.86 -0.59 -3.40 114.93 111.42 1why h MET 146 Ca 0.11 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.18 1why h MET 146 Cb 0.51 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.10 1why h MET 146 CO -0.73 -0.01 1.64 -2.13 1.06 0.00 0.00 176.91 176.74 1why n ARG 147 N -5.45 0.05 -1.44 1.72 0.63 0.02 -0.65 116.66 111.54 1why n ARG 147 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 1why n ARG 147 Cb 0.35 -1.57 0.00 0.00 0.45 0.00 0.00 32.46 31.69 1why n ARG 147 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1why n GLY 148 N 6.73 0.55 3.78 5.14 0.00 -0.56 -4.99 105.19 115.85 1why n GLY 148 Ca 0.62 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 1why n GLY 148 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1why s PHE 149 N -2.57 3.87 -2.00 1.61 5.36 0.18 -4.79 117.98 119.64 1why s PHE 149 Ca 0.00 1.61 0.07 0.00 -0.96 0.00 0.00 56.93 57.65 1why s PHE 149 Cb 0.00 -2.75 0.44 0.00 -0.34 0.00 0.00 43.02 40.37 1why s PHE 149 CO 0.00 0.49 0.89 -0.35 -1.46 0.00 0.00 175.22 174.79 1why n PRO 150 N 1.46 0.49 -0.89 10.12 -0.04 -1.26 -3.02 135.00 141.84 1why n PRO 150 Ca -0.05 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.13 1why n PRO 150 Cb 0.49 -1.24 0.01 0.00 -0.04 0.00 0.00 33.50 32.72 1why n PRO 150 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1why n LEU 151 N -0.74 -2.48 0.00 1.53 7.94 -1.25 -4.22 117.00 117.78 1why n LEU 151 Ca 0.06 0.49 0.00 0.00 -1.11 0.00 0.00 56.01 55.44 1why n LEU 151 Cb 0.03 -0.61 0.00 0.00 0.53 0.00 0.00 43.42 43.37 1why n LEU 151 CO 0.04 -3.31 0.00 0.61 -1.11 0.00 0.00 177.39 173.62 1why n GLY 152 N 1.75 3.42 3.97 -3.96 0.00 -1.26 -4.46 105.19 104.65 1why n GLY 152 Ca 0.06 0.18 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 1why n GLY 152 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1why s GLY 153 N 0.00 1.76 0.49 -0.02 0.00 -1.26 -4.96 107.32 103.33 1why s GLY 153 Ca 0.00 -1.46 0.28 0.00 0.00 0.00 0.00 44.72 43.54 1why s GLY 153 CO 0.00 -0.86 1.93 -0.56 0.00 0.00 0.00 173.10 173.60 1why h PRO 154 N -0.85 0.00 -0.00 2.90 0.13 -1.82 -2.54 132.00 129.82 1why h PRO 154 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1why h PRO 154 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1why h PRO 154 CO 0.42 0.14 -0.58 -0.25 -0.23 0.00 0.00 178.00 177.50 1why n ASP 155 N -3.34 0.77 -4.40 1.44 8.00 -1.26 -4.71 116.55 113.05 1why n ASP 155 Ca -0.00 -0.58 -0.45 0.00 0.71 0.00 0.00 54.79 54.47 1why n ASP 155 Cb 0.35 0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 41.85 1why n ASP 155 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1why s ARG 156 N -2.91 3.48 -0.24 -1.24 1.81 -0.96 -5.01 118.95 113.89 1why s ARG 156 Ca 0.12 -1.85 -0.08 0.00 -1.72 0.00 0.00 55.73 52.21 1why s ARG 156 Cb 0.17 -4.63 -0.03 0.00 -0.45 0.00 0.00 34.95 30.01 1why s ARG 156 CO 0.71 -1.60 0.08 -0.98 -0.68 0.00 0.00 175.30 172.83 1why s ARG 157 N 2.02 3.73 0.37 3.54 1.70 -1.26 -3.82 118.95 125.23 1why s ARG 157 Ca 0.24 -0.44 -0.28 0.00 -0.47 0.00 0.00 55.73 54.78 1why s ARG 157 Cb -0.10 -3.35 -0.11 0.00 -0.57 0.00 0.00 34.95 30.82 1why s ARG 157 CO -0.06 -0.13 1.48 1.28 -1.08 0.00 0.00 175.30 176.80 1why n LEU 158 N 4.76 4.73 -4.30 -1.89 4.77 -1.17 -4.77 117.00 119.14 1why n LEU 158 Ca -0.16 1.23 -0.40 0.00 -0.03 0.00 0.00 56.01 56.65 1why n LEU 158 Cb 0.52 -1.62 -0.10 0.00 -2.33 0.00 0.00 43.42 39.89 1why n LEU 158 CO 0.32 0.14 -0.13 -0.13 -1.33 0.00 0.00 177.39 176.25 1why s ARG 159 N -2.06 2.67 -0.15 3.23 1.81 -0.74 -1.50 118.95 122.21 1why s ARG 159 Ca 0.53 -1.33 -0.01 0.00 -1.72 0.00 0.00 55.73 53.21 1why s ARG 159 Cb -0.48 -3.74 -0.01 0.00 -0.45 0.00 0.00 34.95 30.27 1why s ARG 159 CO 0.63 -0.86 -0.12 0.08 -0.68 0.00 0.00 175.30 174.35 1why s VAL 160 N 1.46 3.00 -0.02 3.52 1.01 -1.26 -0.61 120.40 127.50 1why s VAL 160 Ca 0.02 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 1why s VAL 160 Cb -0.22 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1why s VAL 160 CO 0.03 0.51 0.08 -0.62 0.00 0.00 0.00 175.10 175.11 1why s ASP 161 N 0.60 -0.00 -0.16 3.32 -1.08 -0.39 -4.79 116.67 114.17 1why s ASP 161 Ca -0.07 -0.05 -0.29 0.00 -0.52 0.00 0.00 52.55 51.62 1why s ASP 161 Cb -0.16 0.18 -0.05 0.00 -1.46 0.00 0.00 42.92 41.44 1why s ASP 161 CO 0.03 -0.18 1.84 -0.36 0.52 0.00 0.00 175.17 177.02 1why s PHE 162 N -0.63 1.69 0.77 -5.34 0.08 -1.26 0.07 117.98 113.36 1why s PHE 162 Ca -0.07 0.30 -0.16 0.00 0.12 0.00 0.00 56.93 57.12 1why s PHE 162 Cb -0.04 -4.03 -0.03 0.00 -0.57 0.00 0.00 43.02 38.35 1why s PHE 162 CO 0.00 -3.84 0.48 0.00 -0.10 0.00 0.00 175.22 171.76 1why n ALA 163 N 8.97 -1.78 -2.53 5.36 0.00 -1.23 -4.81 120.51 124.50 1why n ALA 163 Ca 0.22 -0.31 -0.24 0.00 0.00 0.00 0.00 53.44 53.10 1why n ALA 163 Cb 0.44 -1.83 -0.09 0.00 0.00 0.00 0.00 19.45 17.97 1why n ALA 163 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1why s LYS 164 N -2.89 1.90 -0.03 0.00 0.00 -1.26 -4.87 119.74 112.60 1why s LYS 164 Ca 0.63 -1.70 -0.06 0.00 0.00 0.00 0.00 55.97 54.85 1why s LYS 164 Cb -0.32 -1.88 0.01 0.00 0.00 0.00 0.00 37.83 35.63 1why s LYS 164 CO 0.60 0.29 0.13 0.45 0.00 0.00 0.00 175.35 176.83 1why s SER 165 N -3.59 -0.05 0.00 0.03 0.15 -1.26 -5.17 113.70 103.81 1why s SER 165 Ca 0.31 0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1why s SER 165 Cb -0.04 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1why s SER 165 CO 0.17 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.02 1why n GLY 166 N 2.27 -1.97 3.55 9.45 0.00 -1.26 -4.85 105.19 112.38 1why n GLY 166 Ca -0.17 -1.40 -0.37 0.00 0.00 0.00 0.00 46.02 44.08 1why n GLY 166 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1why s PRO 167 N 0.00 2.61 -0.47 1.61 0.04 -1.26 -4.95 135.00 132.58 1why s PRO 167 Ca 0.00 0.50 -0.22 0.00 0.04 0.00 0.00 61.00 61.32 1why s PRO 167 Cb 0.00 -4.48 0.03 0.00 0.04 0.00 0.00 34.50 30.09 1why s PRO 167 CO 0.00 -2.82 0.74 -1.54 0.04 0.00 0.00 177.00 173.42 1why s SER 168 N 8.12 6.34 -0.20 6.66 1.04 -1.26 -5.04 113.70 129.37 1why s SER 168 Ca 0.68 -0.34 -0.09 0.00 0.48 0.00 0.00 55.95 56.68 1why s SER 168 Cb -0.12 -2.36 -0.05 0.00 0.10 0.00 0.00 66.02 63.60 1why s SER 168 CO 0.18 -0.91 0.11 -0.44 0.98 0.00 0.00 173.24 173.16 1why s SER 169 N 2.27 5.98 0.00 7.02 0.01 -1.26 -5.28 113.70 122.45 1why s SER 169 Ca 0.25 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.67 1why s SER 169 Cb -0.14 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.04 1why s SER 169 CO 0.19 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.61