#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 0.47 0.06 1.61 1.04 -1.26 -5.18 113.70 110.44 1why s SER 75 Ca 0.00 -1.27 0.02 0.00 0.48 0.00 0.00 55.95 55.18 1why s SER 75 Cb 0.00 0.65 -0.03 0.00 0.10 0.00 0.00 66.02 66.74 1why s SER 75 CO 0.00 -1.27 -0.07 -0.44 0.98 0.00 0.00 173.24 172.44 1why s SER 76 N -3.15 0.90 0.25 7.02 0.01 -1.26 -5.17 113.70 112.30 1why s SER 76 Ca 0.27 -0.73 0.02 0.00 1.31 0.00 0.00 55.95 56.82 1why s SER 76 Cb -0.01 0.07 -0.05 0.00 0.21 0.00 0.00 66.02 66.24 1why s SER 76 CO 0.15 -0.32 0.05 -0.83 0.41 0.00 0.00 173.24 172.70 1why s GLY 77 N -2.16 1.67 -0.28 3.44 0.00 -1.26 -5.14 107.32 103.60 1why s GLY 77 Ca -0.02 -1.83 -0.02 0.00 0.00 0.00 0.00 44.72 42.85 1why s GLY 77 CO -0.02 -1.64 -0.02 -0.56 0.00 0.00 0.00 173.10 170.86 1why s SER 78 N -3.32 4.67 0.15 1.64 0.01 -1.26 -5.07 113.70 110.52 1why s SER 78 Ca 0.33 -1.09 -0.25 0.00 1.31 0.00 0.00 55.95 56.25 1why s SER 78 Cb 0.07 -1.70 0.07 0.00 0.21 0.00 0.00 66.02 64.67 1why s SER 78 CO 0.11 -0.20 1.00 -0.44 0.41 0.00 0.00 173.24 174.12 1why s SER 79 N 1.29 -0.14 0.00 2.44 0.01 -1.26 -5.19 113.70 110.85 1why s SER 79 Ca -0.03 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.81 1why s SER 79 Cb -0.18 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.51 1why s SER 79 CO -0.02 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.37 1why n GLY 80 N -0.50 4.26 2.91 3.44 0.00 -1.26 -5.10 105.19 108.93 1why n GLY 80 Ca -0.06 -1.97 -0.30 0.00 0.00 0.00 0.00 46.02 43.69 1why n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1why s LYS 81 N 2.42 1.56 -0.64 1.61 -0.14 -1.26 -5.07 119.74 118.22 1why s LYS 81 Ca 0.00 -2.10 -0.22 0.00 -1.36 0.00 0.00 55.97 52.29 1why s LYS 81 Cb 0.00 -2.98 0.07 0.00 -1.68 0.00 0.00 37.83 33.24 1why s LYS 81 CO 0.00 -1.05 0.93 0.42 -0.76 0.00 0.00 175.35 174.89 1why s ILE 82 N 0.43 4.39 -0.38 2.17 1.01 -1.26 -4.85 121.20 122.71 1why s ILE 82 Ca 0.14 -0.38 0.12 0.00 0.00 0.00 0.00 60.65 60.53 1why s ILE 82 Cb -0.22 -4.64 0.38 0.00 0.01 0.00 0.00 42.46 37.99 1why s ILE 82 CO -0.05 -1.38 0.96 0.61 0.00 0.00 0.00 174.94 175.08 1why n GLY 83 N 5.30 2.08 3.39 6.18 0.00 -1.26 -5.05 105.19 115.83 1why n GLY 83 Ca -0.04 -1.02 -0.45 0.00 0.00 0.00 0.00 46.02 44.50 1why n GLY 83 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1why s TYR 84 N -1.76 3.52 -0.00 1.61 1.51 -1.26 -4.99 117.35 115.98 1why s TYR 84 Ca 0.30 -1.79 -0.14 0.00 -1.01 0.00 0.00 57.07 54.43 1why s TYR 84 Cb 0.38 -4.04 0.02 0.00 -0.11 0.00 0.00 41.96 38.21 1why s TYR 84 CO -0.04 -1.21 0.30 0.20 -1.11 0.00 0.00 175.55 173.68 1why s GLY 85 N 2.75 -0.13 0.34 0.71 0.00 -1.26 -5.17 107.32 104.56 1why s GLY 85 Ca 0.26 0.23 0.08 0.00 0.00 0.00 0.00 44.72 45.30 1why s GLY 85 CO -0.09 0.03 -0.06 0.54 0.00 0.00 0.00 173.10 173.52 1why s LYS 86 N -1.54 1.78 0.13 2.90 1.02 -1.26 -5.16 119.74 117.61 1why s LYS 86 Ca -0.12 -1.93 0.06 0.00 0.02 0.00 0.00 55.97 54.00 1why s LYS 86 Cb -0.05 -1.53 -0.04 0.00 -0.52 0.00 0.00 37.83 35.69 1why s LYS 86 CO 0.03 0.07 -0.15 0.00 -0.92 0.00 0.00 175.35 174.38 1why s ALA 87 N -2.75 1.60 0.39 5.17 0.00 -1.26 -5.12 121.76 119.80 1why s ALA 87 Ca 0.32 -1.32 -0.27 0.00 0.00 0.00 0.00 51.96 50.69 1why s ALA 87 Cb 0.04 -0.11 -0.10 0.00 0.00 0.00 0.00 23.12 22.95 1why s ALA 87 CO 0.16 0.15 1.43 0.09 0.00 0.00 0.00 175.76 177.58 1why n ASN 88 N 0.54 3.44 -4.76 0.00 3.02 -1.26 -4.87 115.26 111.37 1why n ASN 88 Ca -0.15 1.19 -0.31 0.00 -0.03 0.00 0.00 54.58 55.28 1why n ASN 88 Cb 0.57 -1.59 0.09 0.00 -0.61 0.00 0.00 39.78 38.24 1why n ASN 88 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1why s PRO 89 N -2.17 2.18 -0.03 3.52 0.04 -1.26 -4.56 135.00 132.73 1why s PRO 89 Ca 0.56 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 62.45 1why s PRO 89 Cb -0.48 -1.89 0.11 0.00 0.04 0.00 0.00 34.50 32.27 1why s PRO 89 CO 0.62 -1.69 0.91 -0.08 0.04 0.00 0.00 177.00 176.80 1why s THR 90 N -2.91 0.00 0.36 1.26 -1.32 -1.26 -4.53 115.64 107.24 1why s THR 90 Ca 0.61 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 61.16 1why s THR 90 Cb -0.17 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 69.98 1why s THR 90 CO 0.56 0.00 1.89 0.71 -2.21 0.00 0.00 174.62 175.57 1why h THR 91 N 2.06 1.19 -3.79 5.08 1.35 -1.87 -3.42 112.91 113.50 1why h THR 91 Ca -0.21 -0.78 -0.48 0.00 -0.55 0.00 0.00 66.41 64.38 1why h THR 91 Cb 1.23 1.06 -0.02 0.00 -1.73 0.00 0.00 68.15 68.68 1why h THR 91 CO 0.31 0.26 0.24 -0.60 -0.25 0.00 0.00 175.52 175.48 1why s ARG 92 N -4.86 4.37 -0.03 4.72 3.52 -1.26 -2.30 118.95 123.11 1why s ARG 92 Ca -0.07 1.08 0.03 0.00 -0.13 0.00 0.00 55.73 56.65 1why s ARG 92 Cb 0.15 -2.70 -0.00 0.00 -1.56 0.00 0.00 34.95 30.85 1why s ARG 92 CO 0.75 0.26 -0.12 -0.51 -0.81 0.00 0.00 175.30 174.87 1why s LEU 93 N -2.29 1.87 -0.32 -0.88 1.43 0.15 -4.25 118.68 114.39 1why s LEU 93 Ca 0.50 -0.24 -0.17 0.00 -1.03 0.00 0.00 54.13 53.19 1why s LEU 93 Cb -0.16 -0.68 -0.01 0.00 0.03 0.00 0.00 46.19 45.36 1why s LEU 93 CO 0.21 0.11 0.45 0.86 0.23 0.00 0.00 176.35 178.21 1why s TRP 94 N 0.05 3.21 -0.23 0.29 -0.00 -1.00 -0.37 118.94 120.89 1why s TRP 94 Ca -0.02 0.24 -0.06 0.00 -0.00 0.00 0.00 56.10 56.27 1why s TRP 94 Cb -0.09 -2.78 -0.02 0.00 -0.00 0.00 0.00 33.47 30.59 1why s TRP 94 CO 0.01 -0.42 0.02 0.08 -0.00 0.00 0.00 176.95 176.64 1why s VAL 95 N 2.24 3.99 -0.04 5.86 1.01 -0.86 -2.72 120.40 129.88 1why s VAL 95 Ca 0.17 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.90 1why s VAL 95 Cb -0.16 -2.84 -0.00 0.00 0.00 0.00 0.00 36.38 33.38 1why s VAL 95 CO 0.12 0.38 -0.16 -0.83 0.00 0.00 0.00 175.10 174.60 1why s GLY 96 N 1.44 0.87 0.00 4.51 0.00 -0.52 -1.47 107.32 112.15 1why s GLY 96 Ca 0.05 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.10 1why s GLY 96 CO 0.01 -0.38 0.00 0.61 0.00 0.00 0.00 173.10 173.34 1why n GLY 97 N 3.06 0.51 3.49 0.20 0.00 -1.25 -1.78 105.19 109.42 1why n GLY 97 Ca -0.17 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 44.81 1why n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1why n LEU 98 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.84 117.00 116.66 1why n LEU 98 Ca 0.00 -2.81 -0.04 0.00 -0.03 0.00 0.00 56.01 53.13 1why n LEU 98 Cb 0.00 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1why n LEU 98 CO 0.00 -0.50 0.15 0.61 -1.33 0.00 0.00 177.39 176.32 1why n GLY 99 N -0.97 1.92 0.24 -0.72 0.00 -1.26 -5.00 105.19 99.40 1why n GLY 99 Ca -0.10 -1.19 0.12 0.00 0.00 0.00 0.00 46.02 44.85 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 0.00 0.06 1.61 0.13 -2.04 -3.23 132.00 128.53 1why h PRO 100 Ca -0.11 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.71 1why h PRO 100 Cb 0.42 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.53 1why h PRO 100 CO 0.14 0.17 -1.68 0.09 -0.23 0.00 0.00 178.00 176.49 1why n ASN 101 N -3.39 1.99 -4.58 1.44 4.13 -1.26 -4.86 115.26 108.72 1why n ASN 101 Ca -0.00 0.31 -0.46 0.00 1.68 0.00 0.00 54.58 56.10 1why n ASN 101 Cb 0.37 -0.90 -0.05 0.00 -1.54 0.00 0.00 39.78 37.66 1why n ASN 101 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1why n THR 102 N -3.97 0.40 -3.36 3.41 -1.04 -1.22 -4.96 114.28 103.55 1why n THR 102 Ca -0.33 -0.29 -0.21 0.00 -2.04 0.00 0.00 64.05 61.18 1why n THR 102 Cb 0.86 -2.11 -0.00 0.00 -1.82 0.00 0.00 70.33 67.26 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 6.61 5.98 0.00 8.00 0.15 -1.26 -4.54 113.70 128.65 1why s SER 103 Ca 1.00 0.04 -0.18 0.00 0.70 0.00 0.00 55.95 57.51 1why s SER 103 Cb -0.58 -1.45 -0.10 0.00 -1.71 0.00 0.00 66.02 62.18 1why s SER 103 CO 0.44 -0.47 0.90 0.25 1.20 0.00 0.00 173.24 175.56 1why h LEU 104 N 0.75 -0.54 -0.38 3.45 5.85 -1.99 -3.28 115.31 119.17 1why h LEU 104 Ca -0.47 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.31 1why h LEU 104 Cb 1.25 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.37 1why h LEU 104 CO 0.56 -0.25 -0.23 0.00 -0.34 0.00 0.00 178.44 178.18 1why n ALA 105 N -2.53 -0.24 -0.03 1.25 0.00 -1.26 -0.99 120.51 116.71 1why n ALA 105 Ca -0.08 0.32 -0.01 0.00 0.00 0.00 0.00 53.44 53.68 1why n ALA 105 Cb 0.25 0.12 -0.01 0.00 0.00 0.00 0.00 19.45 19.81 1why n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1why n ALA 106 N -3.11 -0.05 -0.07 0.00 0.00 -1.25 -0.60 120.51 115.43 1why n ALA 106 Ca 0.01 0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.43 1why n ALA 106 Cb 0.10 0.33 -0.02 0.00 0.00 0.00 0.00 19.45 19.86 1why n ALA 106 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1why h LEU 107 N 0.00 -0.98 -0.82 0.00 3.38 -1.23 -1.43 115.31 114.23 1why h LEU 107 Ca 0.01 0.17 0.18 0.00 0.09 0.00 0.00 57.88 58.32 1why h LEU 107 Cb 0.03 0.45 -0.16 0.00 0.09 0.00 0.00 40.66 41.07 1why h LEU 107 CO -0.07 -0.32 -0.17 0.00 0.09 0.00 0.00 178.44 177.98 1why n ALA 108 N -2.91 0.24 -0.15 1.53 0.00 0.23 0.15 120.51 119.60 1why n ALA 108 Ca -0.00 0.90 -0.10 0.00 0.00 0.00 0.00 53.44 54.24 1why n ALA 108 Cb 0.32 -0.56 -0.01 0.00 0.00 0.00 0.00 19.45 19.20 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 0.76 -0.31 0.00 2.43 -0.41 0.21 114.38 117.07 1why h ARG 109 Ca 0.41 -0.24 0.05 0.00 -0.81 0.00 0.00 59.98 59.40 1why h ARG 109 Cb 0.68 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1why h ARG 109 CO -0.83 0.83 0.21 0.93 -1.51 0.00 0.00 179.97 179.59 1why h GLU 110 N 0.60 0.18 0.00 0.20 4.39 0.18 -1.12 114.58 119.02 1why h GLU 110 Ca 0.12 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 1why h GLU 110 Cb 0.48 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1why h GLU 110 CO 0.02 0.12 -1.36 1.19 -1.16 0.00 0.00 179.01 177.83 1why n PHE 111 N -4.48 0.84 -0.12 4.33 3.01 0.12 -4.08 117.46 117.08 1why n PHE 111 Ca 0.03 0.27 -0.05 0.00 1.01 0.00 0.00 57.45 58.70 1why n PHE 111 Cb 0.25 -0.98 0.13 0.00 -0.01 0.00 0.00 39.48 38.87 1why n PHE 111 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 1why h ASP 112 N 0.00 0.80 -0.91 4.37 3.58 0.67 -3.02 116.42 121.92 1why h ASP 112 Ca -0.10 -0.21 0.24 0.00 0.42 0.00 0.00 57.03 57.38 1why h ASP 112 Cb 1.33 -0.21 -0.16 0.00 1.72 0.00 0.00 39.33 42.01 1why h ASP 112 CO 0.02 0.88 0.11 0.08 -2.88 0.00 0.00 179.24 177.46 1why h ARG 113 N 0.76 0.09 0.59 0.28 0.11 -1.58 -1.35 114.38 113.29 1why h ARG 113 Ca 0.14 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.19 1why h ARG 113 Cb 0.51 -0.02 0.01 0.00 1.11 0.00 0.00 29.97 31.57 1why h ARG 113 CO 0.03 0.06 -0.29 0.74 0.10 0.00 0.00 179.97 180.61 1why h PHE 114 N 0.09 -0.74 -3.22 4.08 0.04 -1.78 -3.48 116.94 111.94 1why h PHE 114 Ca 0.56 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.30 1why h PHE 114 Cb 1.13 0.24 -0.05 0.00 2.20 0.00 0.00 35.95 39.48 1why h PHE 114 CO -0.39 -0.42 0.14 0.20 -0.60 0.00 0.00 178.31 177.24 1why s GLY 115 N -2.57 0.29 0.14 -1.45 0.00 -0.51 -4.97 107.32 98.24 1why s GLY 115 Ca -0.13 -0.64 -0.31 0.00 0.00 0.00 0.00 44.72 43.63 1why s GLY 115 CO 0.42 -0.33 1.51 -0.45 0.00 0.00 0.00 173.10 174.26 1why s SER 116 N -3.01 6.67 -0.27 1.64 0.15 -1.26 -4.13 113.70 113.49 1why s SER 116 Ca 0.16 2.50 -0.12 0.00 0.70 0.00 0.00 55.95 59.19 1why s SER 116 Cb -0.04 -2.59 -0.05 0.00 -1.71 0.00 0.00 66.02 61.63 1why s SER 116 CO 0.10 -0.77 0.22 -0.63 1.20 0.00 0.00 173.24 173.35 1why s ILE 117 N 1.29 5.29 0.08 6.45 1.01 -1.26 -2.79 121.20 131.28 1why s ILE 117 Ca 0.68 0.24 -0.33 0.00 0.00 0.00 0.00 60.65 61.25 1why s ILE 117 Cb -0.41 -3.55 -0.16 0.00 0.01 0.00 0.00 42.46 38.35 1why s ILE 117 CO 0.31 0.24 1.61 -0.09 0.00 0.00 0.00 174.94 177.01 1why h ARG 118 N 8.26 -0.83 -1.52 2.79 9.65 -0.43 -3.48 114.38 128.83 1why h ARG 118 Ca -0.35 0.06 0.24 0.00 -1.10 0.00 0.00 59.98 58.83 1why h ARG 118 Cb 1.18 0.19 -0.19 0.00 -1.39 0.00 0.00 29.97 29.76 1why h ARG 118 CO 0.57 -0.55 0.79 -0.08 2.80 0.00 0.00 179.97 183.50 1why s THR 119 N -6.00 0.00 -0.04 0.20 -1.32 -1.26 -5.03 115.64 102.18 1why s THR 119 Ca -0.17 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.34 1why s THR 119 Cb 0.05 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.04 1why s THR 119 CO 0.62 0.00 -0.15 -0.63 -2.21 0.00 0.00 174.62 172.25 1why s ILE 120 N -2.40 1.28 -0.12 5.08 1.09 -1.26 -3.19 121.20 121.68 1why s ILE 120 Ca 0.09 -0.62 -0.26 0.00 -1.10 0.00 0.00 60.65 58.75 1why s ILE 120 Cb -0.01 -1.12 -0.02 0.00 -1.06 0.00 0.00 42.46 40.25 1why s ILE 120 CO -0.05 0.38 0.85 -0.62 -0.10 0.00 0.00 174.94 175.40 1why s ASP 121 N 0.16 7.06 -0.22 3.58 -1.08 -1.22 -4.95 116.67 120.00 1why s ASP 121 Ca -0.06 1.29 -0.13 0.00 -0.52 0.00 0.00 52.55 53.14 1why s ASP 121 Cb -0.12 -2.48 -0.05 0.00 -1.46 0.00 0.00 42.92 38.82 1why s ASP 121 CO 0.02 -0.34 0.26 -1.38 0.52 0.00 0.00 175.17 174.25 1why s HIS 122 N 1.76 3.35 -0.26 -5.34 -3.43 -1.26 -4.12 115.29 106.00 1why s HIS 122 Ca 0.41 0.41 -0.15 0.00 -0.80 0.00 0.00 55.06 54.94 1why s HIS 122 Cb -0.18 -2.37 0.08 0.00 -1.43 0.00 0.00 32.58 28.68 1why s HIS 122 CO 0.16 0.06 0.63 0.54 -2.00 0.00 0.00 174.74 174.13 1why s VAL 123 N 1.08 -0.01 -0.09 -5.38 0.11 -1.26 -5.08 120.40 109.78 1why s VAL 123 Ca 0.13 0.02 -0.03 0.00 -2.93 0.00 0.00 61.98 59.16 1why s VAL 123 Cb -0.14 -0.91 -0.01 0.00 -1.53 0.00 0.00 36.38 33.79 1why s VAL 123 CO 0.05 0.01 -0.06 0.11 -3.33 0.00 0.00 175.10 171.88 1why h LYS 124 N 7.00 0.00 -0.39 1.54 1.57 -1.97 -3.28 116.57 121.04 1why h LYS 124 Ca -0.31 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.50 1why h LYS 124 Cb 1.22 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.48 1why h LYS 124 CO 0.19 0.00 -0.23 0.41 -0.57 0.00 0.00 179.45 179.25 1why n GLY 125 N 1.75 -2.53 0.44 3.86 0.00 -1.26 0.15 105.19 107.60 1why n GLY 125 Ca -0.03 0.75 0.25 0.00 0.00 0.00 0.00 46.02 47.00 1why n GLY 125 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1why h ASP 126 N 0.00 0.18 -4.19 1.61 3.32 -2.01 -3.45 116.42 111.88 1why h ASP 126 Ca 0.06 0.02 -0.34 0.00 0.02 0.00 0.00 57.03 56.80 1why h ASP 126 Cb 0.16 -0.01 0.07 0.00 0.22 0.00 0.00 39.33 39.77 1why h ASP 126 CO -0.37 0.06 -0.53 -1.20 -1.72 0.00 0.00 179.24 175.48 1why n SER 127 N -4.38 -5.50 -3.57 6.45 7.64 0.41 -4.99 113.62 109.67 1why n SER 127 Ca 0.20 -0.30 -0.14 0.00 1.01 0.00 0.00 58.87 59.63 1why n SER 127 Cb 0.89 -4.27 -0.06 0.00 -1.01 0.00 0.00 64.21 59.75 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 -3.14 -0.58 0.50 1.43 -0.12 -1.25 -3.91 117.98 110.92 1why s PHE 128 Ca 0.33 1.13 0.01 0.00 -0.05 0.00 0.00 56.93 58.35 1why s PHE 128 Cb -0.14 0.39 -0.01 0.00 -0.63 0.00 0.00 43.02 42.63 1why s PHE 128 CO 0.40 -0.44 0.02 0.00 -0.05 0.00 0.00 175.22 175.15 1why s ALA 129 N -0.70 3.99 -0.05 1.99 0.00 -0.55 -4.54 121.76 121.91 1why s ALA 129 Ca -0.05 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 51.53 1why s ALA 129 Cb -0.02 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.26 1why s ALA 129 CO 0.04 -0.06 -0.04 0.71 0.00 0.00 0.00 175.76 176.40 1why s TYR 130 N -2.94 0.75 -0.22 0.00 2.02 -1.26 -2.03 117.35 113.68 1why s TYR 130 Ca 0.07 -0.21 -0.08 0.00 -0.37 0.00 0.00 57.07 56.48 1why s TYR 130 Cb 0.01 -0.67 -0.04 0.00 -0.40 0.00 0.00 41.96 40.86 1why s TYR 130 CO 0.04 -0.20 0.09 0.42 -1.57 0.00 0.00 175.55 174.33 1why s ILE 131 N 0.95 4.75 -0.22 2.71 -1.09 0.51 -3.46 121.20 125.36 1why s ILE 131 Ca -0.10 -0.03 -0.06 0.00 -2.23 0.00 0.00 60.65 58.22 1why s ILE 131 Cb -0.14 -3.19 -0.03 0.00 -1.58 0.00 0.00 42.46 37.52 1why s ILE 131 CO -0.00 0.38 0.04 -1.58 -1.23 0.00 0.00 174.94 172.55 1why s GLN 132 N 1.01 3.70 0.15 2.79 2.00 -1.19 0.31 119.66 128.43 1why s GLN 132 Ca 0.05 -0.47 0.05 0.00 -2.00 0.00 0.00 55.36 52.99 1why s GLN 132 Cb -0.14 -3.21 -0.04 0.00 0.80 0.00 0.00 33.01 30.42 1why s GLN 132 CO 0.03 -0.03 0.11 0.71 -0.50 0.00 0.00 175.29 175.62 1why s TYR 133 N 1.15 3.13 -0.12 1.67 2.02 -0.97 0.34 117.35 124.57 1why s TYR 133 Ca 0.04 -0.01 0.23 0.00 -0.37 0.00 0.00 57.07 56.95 1why s TYR 133 Cb -0.14 -1.52 0.59 0.00 -0.40 0.00 0.00 41.96 40.49 1why s TYR 133 CO 0.03 0.52 1.69 0.93 -1.57 0.00 0.00 175.55 177.14 1why h GLU 134 N 2.59 0.00 -4.36 -0.62 4.39 -1.85 -3.45 114.58 111.28 1why h GLU 134 Ca -0.47 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 58.85 1why h GLU 134 Cb 1.19 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 29.54 1why h GLU 134 CO 0.63 0.19 -0.77 0.45 -1.16 0.00 0.00 179.01 178.36 1why s SER 135 N -6.19 0.85 0.12 1.42 0.15 -1.26 -5.06 113.70 103.73 1why s SER 135 Ca 0.03 -0.13 -0.26 0.00 0.70 0.00 0.00 55.95 56.30 1why s SER 135 Cb 0.08 -0.20 -0.07 0.00 -1.71 0.00 0.00 66.02 64.12 1why s SER 135 CO 0.66 0.04 1.64 0.25 1.20 0.00 0.00 173.24 177.03 1why h LEU 136 N 6.34 -0.73 -0.51 3.45 6.46 -1.89 -2.76 115.31 125.67 1why h LEU 136 Ca -0.32 0.09 0.05 0.00 -0.12 0.00 0.00 57.88 57.58 1why h LEU 136 Cb 1.18 0.29 -0.08 0.00 -0.73 0.00 0.00 40.66 41.32 1why h LEU 136 CO 0.49 -0.33 -0.44 -0.78 -0.62 0.00 0.00 178.44 176.76 1why h ASP 137 N -0.42 -1.53 -1.05 1.25 3.58 -1.97 0.35 116.42 116.62 1why h ASP 137 Ca 0.05 0.21 0.33 0.00 0.42 0.00 0.00 57.03 58.04 1why h ASP 137 Cb 0.48 0.65 -0.14 0.00 1.72 0.00 0.00 39.33 42.04 1why h ASP 137 CO -0.18 -0.25 0.62 0.00 -2.88 0.00 0.00 179.24 176.55 1why h ALA 138 N -0.13 2.10 -0.62 -0.78 0.00 -1.90 0.55 119.26 118.48 1why h ALA 138 Ca 0.08 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1why h ALA 138 Cb 0.39 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1why h ALA 138 CO -0.57 -0.69 0.20 0.00 0.00 0.00 0.00 179.25 178.19 1why h ALA 139 N 1.79 0.81 -0.74 0.00 0.00 -0.07 -2.87 119.26 118.17 1why h ALA 139 Ca 0.73 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.49 1why h ALA 139 Cb 1.79 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 1why h ALA 139 CO -0.54 0.48 0.45 1.96 0.00 0.00 0.00 179.25 181.59 1why h GLN 140 N 0.89 0.83 0.06 0.00 4.20 0.11 -1.71 115.11 119.48 1why h GLN 140 Ca 0.20 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1why h GLN 140 Cb 0.28 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1why h GLN 140 CO -0.01 0.55 -0.11 0.00 -0.67 0.00 0.00 178.83 178.59 1why h ALA 141 N 1.34 -0.74 -0.30 3.87 0.00 -1.23 -2.85 119.26 119.36 1why h ALA 141 Ca 0.31 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.26 1why h ALA 141 Cb 0.10 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 1why h ALA 141 CO -0.15 -0.75 -0.37 0.00 0.00 0.00 0.00 179.25 177.98 1why h ALA 142 N -1.45 -0.36 -0.76 0.00 0.00 -1.49 0.25 119.26 115.44 1why h ALA 142 Ca -0.01 0.06 0.32 0.00 0.00 0.00 0.00 54.91 55.27 1why h ALA 142 Cb 0.17 0.75 -0.14 0.00 0.00 0.00 0.00 17.79 18.58 1why h ALA 142 CO -0.04 -0.81 0.40 0.00 0.00 0.00 0.00 179.25 178.79 1why n ALA 144 N -2.47 0.38 -0.14 0.00 0.00 -0.16 -3.59 120.51 114.53 1why n ALA 144 Ca 0.29 -0.39 -0.12 0.00 0.00 0.00 0.00 53.44 53.22 1why n ALA 144 Cb 0.97 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 20.36 1why n ALA 144 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1why h LYS 145 N -0.75 -0.34 -0.34 0.00 6.56 0.27 -1.27 116.57 120.69 1why h LYS 145 Ca 0.00 0.02 0.07 0.00 -1.06 0.00 0.00 60.65 59.69 1why h LYS 145 Cb 0.43 0.08 -0.07 0.00 -0.57 0.00 0.00 32.23 32.10 1why h LYS 145 CO 0.00 -0.23 -0.13 0.52 -2.06 0.00 0.00 179.45 177.55 1why h MET 146 N -0.36 -0.07 -5.03 3.15 2.86 0.11 -3.40 114.93 112.20 1why h MET 146 Ca 0.11 0.00 -0.42 0.00 -2.06 0.00 0.00 59.70 57.34 1why h MET 146 Cb 0.59 0.01 -0.10 0.00 0.06 0.00 0.00 31.60 32.17 1why h MET 146 CO -0.60 -0.04 1.83 -2.13 1.06 0.00 0.00 176.91 177.03 1why n ARG 147 N -5.32 0.05 0.00 1.72 0.00 -0.48 -0.49 116.66 112.14 1why n ARG 147 Ca 0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 1why n ARG 147 Cb 0.23 -1.40 0.00 0.00 0.00 0.00 0.00 32.46 31.29 1why n ARG 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1why n GLY 148 N 6.03 1.61 3.75 5.14 0.00 -1.22 -4.97 105.19 115.52 1why n GLY 148 Ca 0.65 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.00 3.89 -1.19 1.61 2.19 0.36 -4.90 117.98 117.94 1why s PHE 149 Ca 0.00 1.87 -0.23 0.00 0.33 0.00 0.00 56.93 58.90 1why s PHE 149 Cb 0.00 -3.05 -0.09 0.00 -1.31 0.00 0.00 43.02 38.57 1why s PHE 149 CO 0.00 0.23 1.93 -0.35 1.83 0.00 0.00 175.22 178.86 1why n PRO 150 N 1.47 1.60 -4.18 10.12 -0.04 -1.26 -3.88 135.00 138.83 1why n PRO 150 Ca -0.02 -2.47 -0.21 0.00 -0.04 0.00 0.00 63.50 60.76 1why n PRO 150 Cb 0.47 -3.73 -0.16 0.00 -0.04 0.00 0.00 33.50 30.03 1why n PRO 150 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1why s LEU 151 N 11.03 1.32 0.00 1.53 1.43 -1.26 -4.96 118.68 127.76 1why s LEU 151 Ca 0.68 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 1why s LEU 151 Cb -0.01 -0.51 0.00 0.00 0.03 0.00 0.00 46.19 45.71 1why s LEU 151 CO 0.14 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.27 1why n GLY 152 N 4.12 1.94 1.66 -3.19 0.00 -1.26 -4.43 105.19 104.02 1why n GLY 152 Ca -0.23 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 1why n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1why n GLY 153 N 0.00 3.56 0.21 -0.02 0.00 -1.22 -5.02 105.19 102.70 1why n GLY 153 Ca 0.00 -1.89 -0.13 0.00 0.00 0.00 0.00 46.02 43.99 1why n GLY 153 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1why h PRO 154 N 0.00 0.70 0.03 1.61 0.13 -1.99 -3.32 132.00 129.17 1why h PRO 154 Ca -0.14 -0.37 -0.32 0.00 -0.87 0.00 0.00 66.00 64.29 1why h PRO 154 Cb 0.61 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.71 1why h PRO 154 CO 0.21 0.99 -1.89 -3.47 -0.23 0.00 0.00 178.00 173.61 1why n ASP 155 N -4.26 1.17 -4.56 1.44 -0.08 -1.26 -4.70 116.55 104.29 1why n ASP 155 Ca -0.04 0.29 -0.36 0.00 -1.51 0.00 0.00 54.79 53.18 1why n ASP 155 Cb 0.47 -0.18 -0.04 0.00 2.34 0.00 0.00 41.12 43.71 1why n ASP 155 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1why s ARG 156 N -2.57 3.23 0.24 -0.67 0.52 -1.25 -4.95 118.95 113.50 1why s ARG 156 Ca -0.11 -0.99 0.08 0.00 -0.52 0.00 0.00 55.73 54.19 1why s ARG 156 Cb 0.07 -5.28 -0.04 0.00 0.52 0.00 0.00 34.95 30.22 1why s ARG 156 CO 0.80 -2.73 0.06 -0.98 0.02 0.00 0.00 175.30 172.47 1why s ARG 157 N 5.63 2.51 0.64 3.54 1.70 -1.26 -3.40 118.95 128.30 1why s ARG 157 Ca 0.56 -1.24 -0.18 0.00 -0.47 0.00 0.00 55.73 54.41 1why s ARG 157 Cb -0.02 -2.33 -0.01 0.00 -0.57 0.00 0.00 34.95 32.03 1why s ARG 157 CO -0.03 0.40 1.26 -0.51 -1.08 0.00 0.00 175.30 175.34 1why s LEU 158 N -3.55 3.57 -0.24 -1.89 1.43 -1.25 -4.89 118.68 111.85 1why s LEU 158 Ca 0.31 2.52 0.00 0.00 -1.03 0.00 0.00 54.13 55.93 1why s LEU 158 Cb -0.07 -4.61 0.03 0.00 0.03 0.00 0.00 46.19 41.57 1why s LEU 158 CO 0.21 -1.91 -0.10 -0.60 0.23 0.00 0.00 176.35 174.18 1why s ARG 159 N -3.44 2.69 -0.15 1.70 6.06 -0.74 -3.40 118.95 121.68 1why s ARG 159 Ca 0.80 -1.06 0.02 0.00 -2.50 0.00 0.00 55.73 52.99 1why s ARG 159 Cb -0.34 -2.88 0.01 0.00 0.06 0.00 0.00 34.95 31.80 1why s ARG 159 CO 0.38 -0.41 -0.21 0.08 -2.50 0.00 0.00 175.30 172.64 1why s VAL 160 N 1.25 2.00 -0.01 7.11 1.01 -1.25 -1.43 120.40 129.08 1why s VAL 160 Ca -0.01 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 60.96 1why s VAL 160 Cb -0.17 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.43 1why s VAL 160 CO -0.06 0.54 0.15 1.51 0.00 0.00 0.00 175.10 177.24 1why s ASP 161 N 0.98 -0.02 -0.05 3.32 -4.77 -1.10 -4.85 116.67 110.17 1why s ASP 161 Ca -0.03 -0.09 -0.29 0.00 -3.30 0.00 0.00 52.55 48.83 1why s ASP 161 Cb -0.15 0.24 -0.07 0.00 -1.09 0.00 0.00 42.92 41.86 1why s ASP 161 CO -0.05 -0.32 1.90 -0.36 0.70 0.00 0.00 175.17 177.04 1why s PHE 162 N -1.11 1.50 0.00 2.11 0.08 -1.26 -2.37 117.98 116.93 1why s PHE 162 Ca -0.12 -0.05 0.00 0.00 0.12 0.00 0.00 56.93 56.88 1why s PHE 162 Cb -0.06 -4.10 0.00 0.00 -0.57 0.00 0.00 43.02 38.29 1why s PHE 162 CO 0.01 -4.68 0.90 0.00 -0.10 0.00 0.00 175.22 171.35 1why n ALA 163 N 8.21 -0.36 -3.61 5.36 0.00 -1.26 -4.85 120.51 123.99 1why n ALA 163 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.57 1why n ALA 163 Cb 0.43 0.04 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 1why n ALA 163 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1why s LYS 164 N -2.58 0.44 -0.11 0.00 2.20 -1.26 -5.01 119.74 113.42 1why s LYS 164 Ca 0.00 0.23 0.03 0.00 -0.36 0.00 0.00 55.97 55.88 1why s LYS 164 Cb 0.00 0.21 -0.00 0.00 -1.51 0.00 0.00 37.83 36.53 1why s LYS 164 CO 0.00 -0.11 -0.23 0.45 -0.36 0.00 0.00 175.35 175.10 1why s SER 165 N -0.65 3.20 -0.08 1.43 0.15 -1.26 -4.84 113.70 111.64 1why s SER 165 Ca 0.02 -0.54 -0.05 0.00 0.70 0.00 0.00 55.95 56.08 1why s SER 165 Cb -0.02 -1.44 0.03 0.00 -1.71 0.00 0.00 66.02 62.89 1why s SER 165 CO -0.03 0.15 0.20 -0.83 1.20 0.00 0.00 173.24 173.93 1why s GLY 166 N 0.39 -0.12 0.23 9.45 0.00 -1.26 -5.04 107.32 110.97 1why s GLY 166 Ca -0.17 0.74 -0.00 0.00 0.00 0.00 0.00 44.72 45.29 1why s GLY 166 CO 0.08 0.87 1.59 -0.56 0.00 0.00 0.00 173.10 175.08 1why h PRO 167 N 6.63 0.50 -4.14 2.90 0.13 -2.03 -3.44 132.00 132.55 1why h PRO 167 Ca -0.35 -0.26 -0.44 0.00 -0.87 0.00 0.00 66.00 64.08 1why h PRO 167 Cb 1.17 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 1why h PRO 167 CO 0.39 0.84 1.34 0.43 -0.23 0.00 0.00 178.00 180.77 1why n SER 168 N -4.01 0.30 -4.22 1.44 7.64 -1.26 -4.86 113.62 108.64 1why n SER 168 Ca -0.02 0.22 -0.34 0.00 1.01 0.00 0.00 58.87 59.74 1why n SER 168 Cb 0.53 -0.73 -0.15 0.00 -1.01 0.00 0.00 64.21 62.85 1why n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1why s SER 169 N 6.73 4.08 0.00 6.43 0.15 -1.26 -5.26 113.70 124.57 1why s SER 169 Ca 1.06 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.06 1why s SER 169 Cb -1.04 -1.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1why s SER 169 CO 0.42 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.40