#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1krn s TYR 67 N -3.65 2.47 -0.09 0.00 1.13 -0.26 -4.81 117.35 112.14 1krn s TYR 67 Ca 0.07 -0.29 -0.05 0.00 -1.41 0.00 0.00 57.07 55.39 1krn s TYR 67 Cb -0.03 -1.28 -0.04 0.00 -1.10 0.00 0.00 41.96 39.51 1krn s TYR 67 CO -0.02 0.42 0.11 -1.01 -2.51 0.00 0.00 175.55 172.54 1krn s HIS 68 N -1.32 3.49 0.00 -3.49 3.76 -1.26 -0.06 115.29 116.40 1krn s HIS 68 Ca 0.19 0.42 0.00 0.00 -0.15 0.00 0.00 55.06 55.52 1krn s HIS 68 Cb -0.10 -1.88 0.00 0.00 1.11 0.00 0.00 32.58 31.71 1krn s HIS 68 CO 0.10 0.66 0.00 0.41 -0.85 0.00 0.00 174.74 175.07 1krn n GLY 69 N 1.84 2.67 0.29 -2.22 0.00 -1.26 -1.06 105.19 105.44 1krn n GLY 69 Ca -0.18 -0.27 0.13 0.00 0.00 0.00 0.00 46.02 45.70 1krn n GLY 69 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1krn n ASP 70 N 5.59 0.89 -0.01 1.61 5.68 -1.26 -4.92 116.55 124.12 1krn n ASP 70 Ca 0.00 -1.38 -0.00 0.00 -0.50 0.00 0.00 54.79 52.90 1krn n ASP 70 Cb 0.00 -0.02 -0.00 0.00 -1.14 0.00 0.00 41.12 39.96 1krn n ASP 70 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1krn n GLY 71 N 1.06 0.46 0.25 6.12 0.00 -0.22 -3.39 105.19 109.47 1krn n GLY 71 Ca 0.19 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1krn n GLY 71 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1krn h GLN 72 N 0.83 0.00 -0.02 1.61 4.20 -1.85 -1.82 115.11 118.06 1krn h GLN 72 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1krn h GLN 72 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1krn h GLN 72 CO 0.00 0.15 0.00 0.43 -0.67 0.00 0.00 178.83 178.74 1krn n SER 73 N -3.53 1.28 -4.68 1.46 7.64 -1.26 -4.80 113.62 109.72 1krn n SER 73 Ca -0.01 -1.43 -0.42 0.00 1.01 0.00 0.00 58.87 58.01 1krn n SER 73 Cb 0.29 -0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.46 1krn n SER 73 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1krn s TYR 74 N -1.99 2.13 -0.12 1.43 5.04 -0.69 -4.85 117.35 118.30 1krn s TYR 74 Ca 0.39 0.12 0.15 0.00 -2.44 0.00 0.00 57.07 55.29 1krn s TYR 74 Cb 0.21 -4.04 0.33 0.00 0.35 0.00 0.00 41.96 38.81 1krn s TYR 74 CO 0.34 -4.29 1.16 0.54 -1.34 0.00 0.00 175.55 171.95 1krn n ARG 75 N 6.15 0.97 -0.57 4.97 5.12 -1.26 -4.89 116.66 127.15 1krn n ARG 75 Ca 0.17 -2.53 -0.09 0.00 -1.93 0.00 0.00 57.85 53.47 1krn n ARG 75 Cb 0.41 -1.11 0.07 0.00 -1.16 0.00 0.00 32.46 30.66 1krn n ARG 75 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1krn n GLY 76 N -0.73 -1.44 0.87 -0.13 0.00 -1.26 -5.01 105.19 97.48 1krn n GLY 76 Ca 0.13 -1.65 0.07 0.00 0.00 0.00 0.00 46.02 44.57 1krn n GLY 76 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1krn n THR 77 N -2.69 1.34 -1.69 2.61 -2.24 -1.26 -4.75 114.28 105.60 1krn n THR 77 Ca 0.05 -1.19 -0.43 0.00 -2.27 0.00 0.00 64.05 60.22 1krn n THR 77 Cb 0.19 0.32 -0.01 0.00 -2.10 0.00 0.00 70.33 68.72 1krn n THR 77 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1krn n SER 78 N 0.51 2.70 -1.59 3.42 2.88 -1.26 -4.86 113.62 115.43 1krn n SER 78 Ca 0.16 1.19 -0.01 0.00 -1.33 0.00 0.00 58.87 58.88 1krn n SER 78 Cb 0.59 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 1krn n SER 78 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1krn n SER 79 N 1.10 0.06 -4.20 -3.46 3.41 -1.26 -0.69 113.62 108.58 1krn n SER 79 Ca 0.06 -2.03 -0.30 0.00 -0.26 0.00 0.00 58.87 56.35 1krn n SER 79 Cb 0.35 0.01 -0.17 0.00 -0.26 0.00 0.00 64.21 64.14 1krn n SER 79 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1krn s THR 80 N -0.42 1.85 0.82 6.66 -4.23 -1.26 -1.18 115.64 117.87 1krn s THR 80 Ca 0.18 -0.92 -0.07 0.00 -1.18 0.00 0.00 61.69 59.70 1krn s THR 80 Cb 0.24 -1.59 0.15 0.00 1.34 0.00 0.00 72.50 72.65 1krn s THR 80 CO -0.09 0.52 1.13 0.42 -0.54 0.00 0.00 174.62 176.05 1krn s THR 81 N 0.17 2.09 0.48 3.99 -4.23 0.36 -0.30 115.64 118.20 1krn s THR 81 Ca -0.11 -0.34 0.34 0.00 -1.18 0.00 0.00 61.69 60.41 1krn s THR 81 Cb -0.15 -2.75 0.37 0.00 1.34 0.00 0.00 72.50 71.30 1krn s THR 81 CO 0.06 0.00 2.19 0.71 -0.54 0.00 0.00 174.62 177.04 1krn h THR 82 N -0.98 0.30 -0.52 3.99 1.35 -1.32 -1.97 112.91 113.76 1krn h THR 82 Ca -0.40 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 1krn h THR 82 Cb 1.26 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1krn h THR 82 CO 0.41 0.04 0.00 0.35 -0.25 0.00 0.00 175.52 176.07 1krn n THR 83 N -3.42 0.69 -0.42 6.82 -2.24 -1.26 -4.94 114.28 109.50 1krn n THR 83 Ca -0.02 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 1krn n THR 83 Cb 0.17 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 1krn n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1krn n GLY 84 N 1.54 0.77 3.84 3.38 0.00 -0.74 -5.07 105.19 108.92 1krn n GLY 84 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1krn n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1krn s LYS 85 N -0.58 4.00 0.13 1.61 1.02 -1.26 -4.74 119.74 119.93 1krn s LYS 85 Ca 0.00 0.87 -0.29 0.00 0.02 0.00 0.00 55.97 56.57 1krn s LYS 85 Cb 0.00 -2.23 -0.06 0.00 -0.52 0.00 0.00 37.83 35.01 1krn s LYS 85 CO 0.00 -0.10 0.94 0.21 -0.92 0.00 0.00 175.35 175.47 1krn s LYS 86 N -3.64 4.71 0.41 1.68 2.20 -1.26 -0.49 119.74 123.35 1krn s LYS 86 Ca 0.58 1.42 -0.25 0.00 -0.36 0.00 0.00 55.97 57.36 1krn s LYS 86 Cb -0.10 -3.36 -0.08 0.00 -1.51 0.00 0.00 37.83 32.78 1krn s LYS 86 CO 0.24 0.28 1.19 0.00 -0.36 0.00 0.00 175.35 176.71 1krn s GLN 88 N -2.33 4.19 0.24 0.00 0.74 0.30 -4.63 119.66 118.18 1krn s GLN 88 Ca 0.58 1.01 -0.31 0.00 0.05 0.00 0.00 55.36 56.69 1krn s GLN 88 Cb -0.32 -2.29 -0.12 0.00 1.10 0.00 0.00 33.01 31.39 1krn s GLN 88 CO 0.40 0.04 1.68 0.45 -0.55 0.00 0.00 175.29 177.32 1krn s SER 89 N -2.16 6.37 0.50 6.67 0.15 -1.26 -4.54 113.70 119.43 1krn s SER 89 Ca 0.59 2.90 0.15 0.00 0.70 0.00 0.00 55.95 60.29 1krn s SER 89 Cb -0.10 -2.61 1.20 0.00 -1.71 0.00 0.00 66.02 62.80 1krn s SER 89 CO 0.15 -0.96 2.11 -0.50 1.20 0.00 0.00 173.24 175.24 1krn h TRP 90 N 6.18 0.11 0.00 3.44 4.06 -1.71 -1.36 115.95 126.68 1krn h TRP 90 Ca -0.44 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.51 1krn h TRP 90 Cb 1.21 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 1krn h TRP 90 CO 0.62 0.07 0.00 0.43 -3.56 0.00 0.00 178.44 176.00 1krn n SER 91 N -4.51 0.00 -4.76 -3.49 7.64 -1.26 -4.71 113.62 102.53 1krn n SER 91 Ca 0.00 0.33 -0.39 0.00 1.01 0.00 0.00 58.87 59.83 1krn n SER 91 Cb 0.16 -0.44 -0.05 0.00 -1.01 0.00 0.00 64.21 62.86 1krn n SER 91 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1krn s SER 92 N -2.89 7.37 -0.12 6.43 0.01 -0.51 -4.96 113.70 119.02 1krn s SER 92 Ca 0.17 2.02 0.15 0.00 1.31 0.00 0.00 55.95 59.60 1krn s SER 92 Cb 0.19 -2.60 0.48 0.00 0.21 0.00 0.00 66.02 64.29 1krn s SER 92 CO 0.50 -0.05 1.39 0.23 0.41 0.00 0.00 173.24 175.72 1krn n MET 93 N 1.01 3.03 -3.96 12.44 2.81 -1.26 -4.78 117.12 126.41 1krn n MET 93 Ca -0.00 -2.60 -0.14 0.00 -1.81 0.00 0.00 57.70 53.16 1krn n MET 93 Cb 0.47 -1.67 -0.14 0.00 -0.71 0.00 0.00 33.22 31.17 1krn n MET 93 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1krn s THR 94 N -2.17 0.14 -0.87 2.03 -1.32 -1.26 -3.06 115.64 109.13 1krn s THR 94 Ca 0.37 -0.06 0.23 0.00 -1.21 0.00 0.00 61.69 61.02 1krn s THR 94 Cb 0.27 -0.13 0.21 0.00 -1.51 0.00 0.00 72.50 71.34 1krn s THR 94 CO 0.12 0.05 1.72 -0.81 -2.21 0.00 0.00 174.62 173.49 1krn n PRO 95 N 3.15 0.08 -4.87 7.08 -0.04 -1.26 -4.88 135.00 134.25 1krn n PRO 95 Ca -0.14 0.19 -0.32 0.00 -0.04 0.00 0.00 63.50 63.19 1krn n PRO 95 Cb 0.58 -1.62 -0.17 0.00 -0.04 0.00 0.00 33.50 32.26 1krn n PRO 95 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1krn s HIS 96 N -3.07 2.59 0.35 0.54 3.76 -1.25 -4.98 115.29 113.22 1krn s HIS 96 Ca 0.10 -1.21 -0.26 0.00 -0.15 0.00 0.00 55.06 53.54 1krn s HIS 96 Cb 0.13 -1.75 -0.09 0.00 1.11 0.00 0.00 32.58 31.98 1krn s HIS 96 CO 0.43 -0.53 1.00 1.03 -0.85 0.00 0.00 174.74 175.83 1krn s ARG 97 N 0.64 4.43 0.20 1.40 0.52 -1.17 -4.32 118.95 120.66 1krn s ARG 97 Ca -0.12 1.46 -0.23 0.00 -0.52 0.00 0.00 55.73 56.32 1krn s ARG 97 Cb -0.16 -2.75 0.05 0.00 0.52 0.00 0.00 34.95 32.60 1krn s ARG 97 CO 0.02 0.11 0.88 -3.38 0.02 0.00 0.00 175.30 172.96 1krn s HIS 98 N -1.57 -0.13 -0.18 -0.53 -3.43 -1.26 -5.06 115.29 103.13 1krn s HIS 98 Ca 0.52 -0.25 0.16 0.00 -0.80 0.00 0.00 55.06 54.70 1krn s HIS 98 Cb -0.22 0.67 0.35 0.00 -1.43 0.00 0.00 32.58 31.96 1krn s HIS 98 CO 0.27 -0.99 1.24 1.04 -2.00 0.00 0.00 174.74 174.30 1krn n GLN 99 N -0.48 2.06 -2.54 -0.38 6.02 -1.26 -4.82 117.38 115.98 1krn n GLN 99 Ca -0.05 -2.57 -0.43 0.00 -0.01 0.00 0.00 57.00 53.94 1krn n GLN 99 Cb 0.60 -1.57 0.01 0.00 1.02 0.00 0.00 30.24 30.29 1krn n GLN 99 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1krn n LYS 100 N -0.95 3.79 -4.19 -1.09 4.01 -1.26 -4.75 118.16 113.72 1krn n LYS 100 Ca 0.16 -3.79 -0.23 0.00 -0.51 0.00 0.00 58.31 53.95 1krn n LYS 100 Cb 0.69 -2.84 -0.06 0.00 -0.51 0.00 0.00 35.03 32.32 1krn n LYS 100 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1krn s THR 101 N -0.25 4.03 0.33 -0.18 -4.23 -1.26 -4.85 115.64 109.22 1krn s THR 101 Ca 0.38 -1.59 0.13 0.00 -1.18 0.00 0.00 61.69 59.43 1krn s THR 101 Cb 0.07 -3.15 0.33 0.00 1.34 0.00 0.00 72.50 71.09 1krn s THR 101 CO 0.02 -0.34 1.66 -0.65 -0.54 0.00 0.00 174.62 174.78 1krn h PRO 102 N 1.75 0.29 -0.25 3.99 0.11 -1.83 0.40 132.00 136.45 1krn h PRO 102 Ca -0.47 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1krn h PRO 102 Cb 1.24 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1krn h PRO 102 CO 0.61 0.19 0.09 0.93 -0.21 0.00 0.00 178.00 179.61 1krn h GLU 103 N 0.30 0.39 0.00 1.05 3.07 -1.96 -1.91 114.58 115.51 1krn h GLU 103 Ca 0.71 -0.08 -0.05 0.00 -0.50 0.00 0.00 59.36 59.44 1krn h GLU 103 Cb 1.60 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.45 1krn h GLU 103 CO -0.62 0.44 -0.31 -0.91 -1.40 0.00 0.00 179.01 176.21 1krn h ASN 104 N 0.25 0.00 -2.30 1.42 2.35 -1.66 -3.36 115.58 112.28 1krn h ASN 104 Ca 0.08 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.25 1krn h ASN 104 Cb 0.21 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.18 1krn h ASN 104 CO -0.00 0.24 -0.88 -1.22 -1.65 0.00 0.00 177.43 173.91 1krn n TYR 105 N -3.13 0.91 0.31 1.19 4.02 0.06 -4.96 117.16 115.56 1krn n TYR 105 Ca 0.02 -3.74 0.20 0.00 -0.01 0.00 0.00 57.90 54.37 1krn n TYR 105 Cb 0.63 -0.28 1.00 0.00 -0.02 0.00 0.00 39.34 40.68 1krn n TYR 105 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1krn h PRO 106 N 4.66 0.00 -0.36 -0.72 0.13 -1.51 -2.54 132.00 131.66 1krn h PRO 106 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1krn h PRO 106 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1krn h PRO 106 CO 0.56 0.02 0.00 0.09 -0.23 0.00 0.00 178.00 178.44 1krn n ASN 107 N -3.21 3.17 -0.24 1.44 3.02 -1.26 -4.53 115.26 113.65 1krn n ASN 107 Ca -0.02 -1.91 0.13 0.00 -0.03 0.00 0.00 54.58 52.75 1krn n ASN 107 Cb 0.15 -0.23 0.44 0.00 -0.61 0.00 0.00 39.78 39.53 1krn n ASN 107 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1krn n ALA 108 N 1.16 2.97 -3.25 5.41 0.00 -0.96 -4.95 120.51 120.89 1krn n ALA 108 Ca 0.16 -0.38 -0.16 0.00 0.00 0.00 0.00 53.44 53.06 1krn n ALA 108 Cb 0.52 -1.18 0.07 0.00 0.00 0.00 0.00 19.45 18.85 1krn n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1krn n GLY 109 N 1.31 -0.20 3.52 0.00 0.00 -1.26 -4.73 105.19 103.83 1krn n GLY 109 Ca 0.13 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1krn n GLY 109 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1krn s LEU 110 N -5.68 4.15 0.12 0.99 1.43 -1.26 -4.94 118.68 113.48 1krn s LEU 110 Ca 0.25 -1.85 0.09 0.00 -1.03 0.00 0.00 54.13 51.59 1krn s LEU 110 Cb -0.11 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 1krn s LEU 110 CO 0.57 -1.28 -0.22 0.42 0.23 0.00 0.00 176.35 176.07 1krn s THR 111 N 3.92 1.86 0.00 5.49 -4.23 -1.26 -4.66 115.64 116.75 1krn s THR 111 Ca 0.42 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1krn s THR 111 Cb -0.01 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 72.12 1krn s THR 111 CO -0.07 -0.08 0.00 0.80 -0.54 0.00 0.00 174.62 174.73 1krn n MET 112 N 0.89 0.00 -1.36 3.99 0.00 -1.26 -2.78 117.12 116.59 1krn n MET 112 Ca -0.18 0.00 -0.04 0.00 -0.00 0.00 0.00 57.70 57.48 1krn n MET 112 Cb 0.54 0.00 0.11 0.00 0.00 0.00 0.00 33.22 33.87 1krn n MET 112 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 1krn n ASN 113 N 1.99 2.65 -4.77 6.12 6.94 -1.26 -1.96 115.26 124.98 1krn n ASN 113 Ca 0.00 -3.46 -0.39 0.00 -0.02 0.00 0.00 54.58 50.71 1krn n ASN 113 Cb 0.00 -0.44 -0.05 0.00 -2.36 0.00 0.00 39.78 36.93 1krn n ASN 113 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1krn s TYR 114 N -3.01 3.67 0.08 -2.53 2.02 -1.12 -4.57 117.35 111.89 1krn s TYR 114 Ca 0.41 1.78 -0.35 0.00 -0.37 0.00 0.00 57.07 58.53 1krn s TYR 114 Cb 0.38 -3.07 -0.14 0.00 -0.40 0.00 0.00 41.96 38.73 1krn s TYR 114 CO -0.04 -0.07 1.59 0.00 -1.57 0.00 0.00 175.55 175.46 1krn s ARG 116 N 1.54 1.91 -0.42 0.00 1.81 -0.85 -4.80 118.95 118.13 1krn s ARG 116 Ca 0.84 -1.92 0.06 0.00 -1.72 0.00 0.00 55.73 52.99 1krn s ARG 116 Cb -0.76 0.40 0.22 0.00 -0.45 0.00 0.00 34.95 34.36 1krn s ARG 116 CO 0.44 -0.76 0.47 -1.71 -0.68 0.00 0.00 175.30 173.06 1krn n ASN 117 N -1.61 0.23 0.18 0.23 5.15 -1.26 -0.58 115.26 117.59 1krn n ASN 117 Ca 0.04 -2.64 0.04 0.00 -0.60 0.00 0.00 54.58 51.42 1krn n ASN 117 Cb 0.62 -0.61 0.33 0.00 -0.53 0.00 0.00 39.78 39.58 1krn n ASN 117 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1krn h PRO 118 N 4.62 0.00 -0.50 1.20 0.13 -1.94 -3.12 132.00 132.40 1krn h PRO 118 Ca 0.15 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.18 1krn h PRO 118 Cb 0.87 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.94 1krn h PRO 118 CO 0.46 0.42 0.09 -0.40 -0.23 0.00 0.00 178.00 178.34 1krn n ASP 119 N -3.73 4.38 -3.86 1.44 5.75 -1.26 -4.97 116.55 114.30 1krn n ASP 119 Ca -0.01 -3.18 -0.26 0.00 -0.01 0.00 0.00 54.79 51.33 1krn n ASP 119 Cb 0.49 -0.65 0.01 0.00 -1.03 0.00 0.00 41.12 39.94 1krn n ASP 119 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1krn n ALA 120 N -0.27 -1.74 -1.22 2.12 0.00 -1.18 -5.01 120.51 113.21 1krn n ALA 120 Ca 0.31 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1krn n ALA 120 Cb 1.15 -2.72 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1krn n ALA 120 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1krn n ASP 121 N -2.94 0.00 0.22 0.00 2.03 -1.26 -4.95 116.55 109.64 1krn n ASP 121 Ca -0.17 -0.52 0.15 0.00 0.52 0.00 0.00 54.79 54.76 1krn n ASP 121 Cb 0.62 0.00 0.53 0.00 -0.72 0.00 0.00 41.12 41.55 1krn n ASP 121 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1krn h LYS 122 N 0.00 0.00 -1.93 -0.67 2.10 -1.95 -3.47 116.57 110.65 1krn h LYS 122 Ca 0.00 0.00 0.26 0.00 -2.00 0.00 0.00 60.65 58.91 1krn h LYS 122 Cb 0.00 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.24 1krn h LYS 122 CO 0.00 0.00 0.68 0.20 -2.00 0.00 0.00 179.45 178.33 1krn s GLY 123 N -3.99 -0.27 0.60 0.07 0.00 -1.22 -4.53 107.32 97.97 1krn s GLY 123 Ca 0.04 0.33 -0.19 0.00 0.00 0.00 0.00 44.72 44.89 1krn s GLY 123 CO 0.54 0.72 1.27 -4.14 0.00 0.00 0.00 173.10 171.49 1krn s PRO 124 N -2.68 2.88 0.32 2.90 0.02 -1.26 -4.80 135.00 132.39 1krn s PRO 124 Ca 0.15 2.01 -0.09 0.00 0.02 0.00 0.00 61.00 63.09 1krn s PRO 124 Cb 0.01 -1.99 0.01 0.00 0.02 0.00 0.00 34.50 32.55 1krn s PRO 124 CO -0.00 -1.32 0.55 1.67 -0.33 0.00 0.00 177.00 177.56 1krn s TRP 125 N -1.45 0.62 0.02 6.54 1.48 0.25 -1.67 118.94 124.73 1krn s TRP 125 Ca 0.78 -0.99 -0.28 0.00 -1.06 0.00 0.00 56.10 54.55 1krn s TRP 125 Cb -0.35 0.21 0.07 0.00 -1.16 0.00 0.00 33.47 32.24 1krn s TRP 125 CO 0.39 -1.19 0.64 0.00 -4.06 0.00 0.00 176.95 172.73 1krn s PHE 127 N -2.02 2.73 0.28 0.00 0.08 -1.26 -1.72 117.98 116.07 1krn s PHE 127 Ca -0.07 1.55 0.08 0.00 0.12 0.00 0.00 56.93 58.61 1krn s PHE 127 Cb -0.00 -3.27 -0.04 0.00 -0.57 0.00 0.00 43.02 39.14 1krn s PHE 127 CO 0.02 -1.47 0.13 0.95 -0.10 0.00 0.00 175.22 174.76 1krn s THR 128 N -1.78 3.84 -1.97 0.64 -4.23 -0.40 -0.53 115.64 111.20 1krn s THR 128 Ca 0.71 -1.61 0.32 0.00 -1.18 0.00 0.00 61.69 59.93 1krn s THR 128 Cb -0.23 -3.14 0.85 0.00 1.34 0.00 0.00 72.50 71.32 1krn s THR 128 CO 0.27 -0.32 2.18 0.35 -0.54 0.00 0.00 174.62 176.56 1krn n THR 129 N -1.10 0.00 -2.74 3.99 -2.24 -0.33 -4.50 114.28 107.36 1krn n THR 129 Ca -0.06 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 1krn n THR 129 Cb 0.59 -0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 1krn n THR 129 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1krn s ASP 130 N -2.06 7.16 0.36 3.42 -1.08 -1.26 -4.81 116.67 118.41 1krn s ASP 130 Ca 0.46 1.43 0.13 0.00 -0.52 0.00 0.00 52.55 54.04 1krn s ASP 130 Cb 0.22 -2.53 0.94 0.00 -1.46 0.00 0.00 42.92 40.09 1krn s ASP 130 CO 0.38 -0.44 1.81 -0.65 0.52 0.00 0.00 175.17 176.79 1krn h PRO 131 N 7.16 0.55 -0.00 4.34 0.11 -1.94 -2.49 132.00 139.73 1krn h PRO 131 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1krn h PRO 131 Cb 1.14 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1krn h PRO 131 CO 0.85 0.36 -0.20 -1.13 -0.21 0.00 0.00 178.00 177.68 1krn n SER 132 N -4.64 0.35 -3.98 -2.05 3.41 -1.26 -4.69 113.62 100.76 1krn n SER 132 Ca 0.22 -0.15 -0.31 0.00 -0.26 0.00 0.00 58.87 58.38 1krn n SER 132 Cb 0.68 -0.10 -0.16 0.00 -0.26 0.00 0.00 64.21 64.37 1krn n SER 132 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1krn s VAL 133 N -2.80 1.71 0.07 -3.33 1.01 -0.94 -5.01 120.40 111.11 1krn s VAL 133 Ca 0.19 -1.26 -0.19 0.00 0.00 0.00 0.00 61.98 60.71 1krn s VAL 133 Cb 0.19 -1.89 -0.10 0.00 0.00 0.00 0.00 36.38 34.58 1krn s VAL 133 CO 0.56 -0.01 1.46 -0.09 0.00 0.00 0.00 175.10 177.02 1krn h ARG 134 N 7.92 0.42 -2.88 2.72 2.43 -1.84 -3.36 114.38 119.80 1krn h ARG 134 Ca -0.21 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 58.74 1krn h ARG 134 Cb 1.07 -0.02 -0.15 0.00 -0.42 0.00 0.00 29.97 30.45 1krn h ARG 134 CO 0.44 0.67 0.05 1.67 -1.51 0.00 0.00 179.97 181.30 1krn s TRP 135 N -4.73 -0.42 0.16 2.20 1.48 -1.26 -1.27 118.94 115.10 1krn s TRP 135 Ca -0.14 0.38 -0.11 0.00 -1.06 0.00 0.00 56.10 55.17 1krn s TRP 135 Cb 0.07 0.37 0.00 0.00 -1.16 0.00 0.00 33.47 32.75 1krn s TRP 135 CO 0.75 -0.69 0.33 -1.21 -4.06 0.00 0.00 176.95 172.08 1krn s GLU 136 N -2.83 1.15 0.62 3.25 2.02 -0.70 -4.90 118.70 117.31 1krn s GLU 136 Ca -0.03 -1.04 -0.13 0.00 0.02 0.00 0.00 54.97 53.78 1krn s GLU 136 Cb -0.00 0.41 -0.03 0.00 0.10 0.00 0.00 34.13 34.61 1krn s GLU 136 CO -0.05 -0.43 1.04 0.71 0.02 0.00 0.00 175.26 176.55 1krn s TYR 137 N -3.92 3.21 0.59 1.61 2.02 -1.26 -1.53 117.35 118.07 1krn s TYR 137 Ca 0.12 1.44 -0.14 0.00 -0.37 0.00 0.00 57.07 58.12 1krn s TYR 137 Cb 0.02 -2.88 -0.04 0.00 -0.40 0.00 0.00 41.96 38.66 1krn s TYR 137 CO -0.03 -0.96 1.03 0.00 -1.57 0.00 0.00 175.55 174.02 1krn s ASN 139 N -3.33 6.50 -0.27 0.00 2.47 0.59 -4.28 114.94 116.62 1krn s ASN 139 Ca 0.59 -1.63 -0.20 0.00 0.42 0.00 0.00 52.86 52.04 1krn s ASN 139 Cb -0.13 -2.46 0.07 0.00 -1.45 0.00 0.00 41.25 37.29 1krn s ASN 139 CO 0.41 -1.29 0.68 -0.22 -3.72 0.00 0.00 177.10 172.97 1krn s LEU 140 N 3.71 -0.76 0.32 3.21 2.96 -1.26 -4.87 118.68 121.98 1krn s LEU 140 Ca 0.35 1.44 -0.10 0.00 -0.22 0.00 0.00 54.13 55.59 1krn s LEU 140 Cb -0.06 2.36 -0.07 0.00 0.50 0.00 0.00 46.19 48.92 1krn s LEU 140 CO -0.05 -0.24 0.66 -0.54 -1.32 0.00 0.00 176.35 174.86 1krn s LYS 141 N 0.93 3.81 0.35 1.98 1.02 -1.26 -4.90 119.74 121.67 1krn s LYS 141 Ca -0.05 0.38 -0.26 0.00 0.02 0.00 0.00 55.97 56.06 1krn s LYS 141 Cb -0.05 -2.52 -0.09 0.00 -0.52 0.00 0.00 37.83 34.65 1krn s LYS 141 CO -0.08 0.15 1.06 0.21 -0.92 0.00 0.00 175.35 175.77 1krn s LYS 142 N -3.30 4.36 0.00 1.68 2.47 -1.26 -1.10 119.74 122.59 1krn s LYS 142 Ca 0.49 1.61 0.31 0.00 -1.56 0.00 0.00 55.97 56.82 1krn s LYS 142 Cb -0.11 -2.80 1.86 0.00 -1.46 0.00 0.00 37.83 35.33 1krn s LYS 142 CO 0.25 0.02 2.18 0.00 0.16 0.00 0.00 175.35 177.96