#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nik n ALA 73 N 0.00 -2.39 -3.55 7.82 0.00 -1.26 -4.85 120.51 116.28 1nik n ALA 73 Ca 0.00 0.39 -0.01 0.00 0.00 0.00 0.00 53.44 53.82 1nik n ALA 73 Cb 0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.43 1nik n ALA 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1nik s ILE 74 N -4.33 -0.94 0.77 0.00 1.01 -1.23 -4.55 121.20 111.93 1nik s ILE 74 Ca 0.00 0.02 -0.16 0.00 0.00 0.00 0.00 60.65 60.51 1nik s ILE 74 Cb 0.00 -0.95 -0.07 0.00 0.01 0.00 0.00 42.46 41.45 1nik s ILE 74 CO 0.00 0.01 0.14 -0.81 0.00 0.00 0.00 174.94 174.27 1nik n PRO 75 N 5.44 0.11 0.20 2.79 -0.04 -1.26 -4.74 135.00 137.50 1nik n PRO 75 Ca -0.09 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.54 1nik n PRO 75 Cb 0.49 -1.53 0.58 0.00 -0.04 0.00 0.00 33.50 33.00 1nik n PRO 75 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1nik h LYS 76 N -0.58 0.00 -6.34 0.54 3.64 -2.01 -3.39 116.57 108.43 1nik h LYS 76 Ca -0.44 0.00 -0.44 0.00 -1.27 0.00 0.00 60.65 58.50 1nik h LYS 76 Cb 1.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1nik h LYS 76 CO 0.38 0.00 -0.32 -0.51 -2.27 0.00 0.00 179.45 176.72 1nik s ASP 77 N -3.91 5.65 -0.30 4.20 1.01 -1.26 -4.20 116.67 117.85 1nik s ASP 77 Ca -0.02 -0.39 0.00 0.00 0.71 0.00 0.00 52.55 52.84 1nik s ASP 77 Cb 0.06 -0.87 0.00 0.00 1.01 0.00 0.00 42.92 43.12 1nik s ASP 77 CO 0.19 -0.60 0.00 0.00 0.21 0.00 0.00 175.17 174.98 1nik n GLN 78 N -1.69 -1.09 -2.31 8.23 6.02 -1.26 -4.93 117.38 120.34 1nik n GLN 78 Ca 0.04 0.44 -0.43 0.00 -0.01 0.00 0.00 57.00 57.04 1nik n GLN 78 Cb 0.59 -4.34 -0.02 0.00 1.02 0.00 0.00 30.24 27.48 1nik n GLN 78 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1nik s ARG 79 N -1.59 4.22 -0.01 -1.09 6.06 -1.26 -4.89 118.95 120.38 1nik s ARG 79 Ca 0.00 1.80 0.09 0.00 -2.50 0.00 0.00 55.73 55.13 1nik s ARG 79 Cb 0.00 -3.82 -0.14 0.00 0.06 0.00 0.00 34.95 31.05 1nik s ARG 79 CO 0.00 -0.74 0.20 0.00 -2.50 0.00 0.00 175.30 172.26 1nik n ALA 80 N 6.74 2.34 -0.69 6.12 0.00 -1.26 -5.04 120.51 128.71 1nik n ALA 80 Ca 0.15 -0.22 -0.32 0.00 0.00 0.00 0.00 53.44 53.05 1nik n ALA 80 Cb 0.44 -0.31 0.16 0.00 0.00 0.00 0.00 19.45 19.74 1nik n ALA 80 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1nik n THR 81 N -1.81 0.00 -1.81 0.00 -1.04 -1.26 -4.85 114.28 103.51 1nik n THR 81 Ca -0.02 -0.26 -0.42 0.00 -2.04 0.00 0.00 64.05 61.31 1nik n THR 81 Cb 0.24 -0.68 -0.03 0.00 -1.82 0.00 0.00 70.33 68.03 1nik n THR 81 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1nik s THR 82 N -2.34 2.40 0.30 12.58 2.01 -1.26 -4.88 115.64 124.45 1nik s THR 82 Ca 0.58 0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.80 1nik s THR 82 Cb -0.17 -3.13 0.12 0.00 0.01 0.00 0.00 72.50 69.33 1nik s THR 82 CO 0.66 0.01 1.80 -0.65 -0.69 0.00 0.00 174.62 175.75 1nik h PRO 83 N 7.29 0.60 -6.80 4.92 0.11 -1.98 -3.43 132.00 132.72 1nik h PRO 83 Ca -0.43 -0.16 -0.51 0.00 0.11 0.00 0.00 66.00 65.01 1nik h PRO 83 Cb 1.20 -0.07 0.02 0.00 0.11 0.00 0.00 31.00 32.27 1nik h PRO 83 CO 0.94 0.66 0.51 0.71 -0.21 0.00 0.00 178.00 180.61 1nik s TYR 84 N -4.87 3.49 0.11 0.65 1.51 -1.26 -2.64 117.35 114.33 1nik s TYR 84 Ca -0.08 1.62 -0.30 0.00 -1.01 0.00 0.00 57.07 57.30 1nik s TYR 84 Cb 0.15 -3.36 -0.06 0.00 -0.11 0.00 0.00 41.96 38.58 1nik s TYR 84 CO 0.79 -0.81 1.09 1.41 -1.11 0.00 0.00 175.55 176.91 1nik s MET 85 N -1.32 4.56 0.56 -0.62 1.75 -0.37 -4.84 119.30 119.02 1nik s MET 85 Ca 0.46 1.65 -0.16 0.00 -1.25 0.00 0.00 55.69 56.38 1nik s MET 85 Cb -0.33 -3.34 -0.05 0.00 2.84 0.00 0.00 34.83 33.95 1nik s MET 85 CO 0.42 -0.01 1.04 0.95 -0.65 0.00 0.00 175.02 176.77 1nik s THR 86 N 0.31 3.95 0.14 10.11 -4.23 -1.26 -4.86 115.64 119.80 1nik s THR 86 Ca 0.52 0.96 -0.18 0.00 -1.18 0.00 0.00 61.69 61.81 1nik s THR 86 Cb -0.27 -3.46 -0.02 0.00 1.34 0.00 0.00 72.50 70.09 1nik s THR 86 CO 0.32 -0.51 1.74 0.07 -0.54 0.00 0.00 174.62 175.70 1nik h LYS 87 N 0.68 0.19 -0.78 3.99 2.10 -1.99 -1.41 116.57 119.35 1nik h LYS 87 Ca -0.47 -0.01 0.05 0.00 -2.00 0.00 0.00 60.65 58.22 1nik h LYS 87 Cb 1.21 -0.04 -0.05 0.00 -0.90 0.00 0.00 32.23 32.45 1nik h LYS 87 CO 0.58 0.12 0.51 1.88 -2.00 0.00 0.00 179.45 180.55 1nik h TYR 88 N 0.19 0.88 -0.04 0.07 -1.99 -1.98 0.98 116.97 115.08 1nik h TYR 88 Ca 0.12 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.87 1nik h TYR 88 Cb 0.10 -0.29 -0.00 0.00 2.00 0.00 0.00 36.73 38.54 1nik h TYR 88 CO -0.14 0.48 0.01 0.93 -0.00 0.00 0.00 178.16 179.44 1nik h GLU 89 N 0.88 0.07 0.00 4.88 5.08 -1.71 -2.39 114.58 121.40 1nik h GLU 89 Ca 0.32 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.62 1nik h GLU 89 Cb 0.16 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1nik h GLU 89 CO -0.11 0.28 -0.24 0.07 -1.00 0.00 0.00 179.01 178.02 1nik h ARG 90 N -0.16 0.00 0.00 2.33 0.11 -0.61 0.19 114.38 116.25 1nik h ARG 90 Ca 0.01 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.01 1nik h ARG 90 Cb 0.25 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.32 1nik h ARG 90 CO 0.00 0.24 -0.40 0.00 0.10 0.00 0.00 179.97 179.91 1nik h ALA 91 N 1.76 0.88 0.10 0.08 0.00 -0.68 0.33 119.26 121.73 1nik h ALA 91 Ca -0.00 -0.36 -0.32 0.00 0.00 0.00 0.00 54.91 54.22 1nik h ALA 91 Cb 0.48 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1nik h ALA 91 CO 0.03 0.50 -1.72 -0.09 0.00 0.00 0.00 179.25 177.97 1nik h ARG 92 N 0.00 0.21 0.08 0.00 2.43 -0.83 -2.23 114.38 114.03 1nik h ARG 92 Ca -0.00 -0.35 -0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1nik h ARG 92 Cb 1.04 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1nik h ARG 92 CO 0.05 1.02 -0.04 0.82 -1.51 0.00 0.00 179.97 180.32 1nik h ILE 93 N 0.06 1.04 -0.70 1.20 2.04 -0.54 0.46 117.51 121.06 1nik h ILE 93 Ca -0.31 -0.41 0.10 0.00 1.00 0.00 0.00 64.86 65.24 1nik h ILE 93 Cb 2.02 1.31 -0.07 0.00 -0.74 0.00 0.00 36.82 39.34 1nik h ILE 93 CO 0.12 0.10 0.34 -0.07 0.00 0.00 0.00 178.15 178.64 1nik h LEU 94 N -0.29 0.43 0.44 1.44 3.38 -0.44 -1.32 115.31 118.96 1nik h LEU 94 Ca -0.01 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1nik h LEU 94 Cb 0.25 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1nik h LEU 94 CO 0.02 0.24 -0.21 1.23 0.09 0.00 0.00 178.44 179.81 1nik h GLY 95 N 0.58 -0.62 1.36 0.83 0.00 -1.15 -1.44 103.07 102.63 1nik h GLY 95 Ca 0.35 0.23 0.06 0.00 0.00 0.00 0.00 47.33 47.97 1nik h GLY 95 CO -0.28 -0.23 0.28 -0.84 0.00 0.00 0.00 176.54 175.48 1nik h THR 96 N -0.74 0.94 0.17 4.70 2.02 -0.52 0.16 112.91 119.64 1nik h THR 96 Ca -0.06 -0.10 -0.31 0.00 0.77 0.00 0.00 66.41 66.71 1nik h THR 96 Cb 0.53 0.63 0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1nik h THR 96 CO 0.10 0.05 -1.45 -0.09 0.37 0.00 0.00 175.52 174.50 1nik h ARG 97 N 0.29 0.35 -0.81 6.66 9.65 -1.25 -2.70 114.38 126.57 1nik h ARG 97 Ca 0.18 -0.60 0.01 0.00 -1.10 0.00 0.00 59.98 58.47 1nik h ARG 97 Cb 0.36 0.22 -0.04 0.00 -1.39 0.00 0.00 29.97 29.12 1nik h ARG 97 CO -0.04 1.26 0.53 0.00 2.80 0.00 0.00 179.97 184.53 1nik h ALA 98 N 0.39 1.42 -0.33 2.80 0.00 -0.40 0.53 119.26 123.67 1nik h ALA 98 Ca -0.22 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 1nik h ALA 98 Cb 2.05 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1nik h ALA 98 CO 0.21 0.54 -0.26 1.25 0.00 0.00 0.00 179.25 180.99 1nik h LEU 99 N 1.10 0.80 -0.53 0.00 5.85 -0.72 -1.48 115.31 120.32 1nik h LEU 99 Ca 0.30 -0.45 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 1nik h LEU 99 Cb -0.12 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.66 1nik h LEU 99 CO -0.06 1.07 0.20 1.56 -0.34 0.00 0.00 178.44 180.87 1nik h GLN 100 N 0.53 0.80 -0.34 1.25 4.20 -1.03 -2.05 115.11 118.47 1nik h GLN 100 Ca 0.06 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1nik h GLN 100 Cb 0.82 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 1nik h GLN 100 CO 0.07 0.71 0.18 0.82 -0.67 0.00 0.00 178.83 179.94 1nik h ILE 101 N 0.72 1.11 0.00 2.54 2.04 -0.83 0.55 117.51 123.65 1nik h ILE 101 Ca 0.18 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1nik h ILE 101 Cb 0.22 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1nik h ILE 101 CO -0.01 0.12 0.00 -1.54 0.00 0.00 0.00 178.15 176.72 1nik n SER 102 N -4.44 0.48 -1.79 1.72 3.41 -0.57 -2.99 113.62 109.44 1nik n SER 102 Ca 0.02 0.59 -0.11 0.00 -0.26 0.00 0.00 58.87 59.11 1nik n SER 102 Cb 0.10 -0.70 0.23 0.00 -0.26 0.00 0.00 64.21 63.58 1nik n SER 102 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1nik n MET 103 N -2.00 2.61 -3.34 4.33 2.81 0.18 -4.93 117.12 116.77 1nik n MET 103 Ca 0.04 -3.07 -0.17 0.00 -1.81 0.00 0.00 57.70 52.69 1nik n MET 103 Cb 0.27 -2.07 0.07 0.00 -0.71 0.00 0.00 33.22 30.78 1nik n MET 103 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1nik n ASN 104 N -0.82 -5.28 -4.64 7.83 3.02 -1.16 -5.01 115.26 109.20 1nik n ASN 104 Ca 0.45 -0.72 -0.30 0.00 -0.03 0.00 0.00 54.58 53.98 1nik n ASN 104 Cb 1.37 -5.02 -0.09 0.00 -0.61 0.00 0.00 39.78 35.44 1nik n ASN 104 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nik s ALA 105 N -3.40 3.16 0.34 5.41 0.00 -1.15 -5.04 121.76 121.07 1nik s ALA 105 Ca 0.34 -1.16 -0.26 0.00 0.00 0.00 0.00 51.96 50.87 1nik s ALA 105 Cb -0.05 -1.08 -0.13 0.00 0.00 0.00 0.00 23.12 21.86 1nik s ALA 105 CO 0.75 0.68 0.88 -2.30 0.00 0.00 0.00 175.76 175.77 1nik n PRO 106 N 0.64 1.10 -4.04 0.00 -0.02 -1.26 -4.75 135.00 126.67 1nik n PRO 106 Ca -0.12 0.39 -0.35 0.00 -2.02 0.00 0.00 63.50 61.40 1nik n PRO 106 Cb 0.52 -1.76 -0.13 0.00 -0.02 0.00 0.00 33.50 32.11 1nik n PRO 106 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nik s VAL 107 N -1.18 3.80 -1.38 -1.45 1.01 -1.26 -4.95 120.40 114.99 1nik s VAL 107 Ca 0.61 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 62.29 1nik s VAL 107 Cb -0.67 -2.72 0.25 0.00 0.00 0.00 0.00 36.38 33.24 1nik s VAL 107 CO 0.59 0.42 1.05 0.49 0.00 0.00 0.00 175.10 177.65 1nik n PHE 108 N 4.41 0.51 -4.41 5.22 3.01 -1.26 -4.85 117.46 120.09 1nik n PHE 108 Ca -0.17 -0.20 -0.20 0.00 1.01 0.00 0.00 57.45 57.88 1nik n PHE 108 Cb 0.52 -0.12 -0.10 0.00 -0.01 0.00 0.00 39.48 39.76 1nik n PHE 108 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1nik s VAL 109 N -1.63 1.35 -0.28 -4.37 1.01 -1.26 -4.99 120.40 110.23 1nik s VAL 109 Ca 0.17 -2.06 -0.11 0.00 0.00 0.00 0.00 61.98 59.99 1nik s VAL 109 Cb 0.11 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 1nik s VAL 109 CO 0.08 -0.22 0.18 -0.62 0.00 0.00 0.00 175.10 174.53 1nik s ASP 110 N -3.42 5.96 -0.21 3.32 -1.08 -1.26 -5.05 116.67 114.93 1nik s ASP 110 Ca 0.31 -0.02 -0.29 0.00 -0.52 0.00 0.00 52.55 52.03 1nik s ASP 110 Cb 0.06 -2.10 -0.01 0.00 -1.46 0.00 0.00 42.92 39.41 1nik s ASP 110 CO 0.12 -0.04 1.23 -0.76 0.52 0.00 0.00 175.17 176.24 1nik s LEU 111 N 1.72 4.10 0.00 -1.34 1.02 -1.26 -4.84 118.68 118.08 1nik s LEU 111 Ca 0.07 1.53 0.00 0.00 0.02 0.00 0.00 54.13 55.75 1nik s LEU 111 Cb -0.16 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.51 1nik s LEU 111 CO 0.10 -0.81 0.69 1.21 0.02 0.00 0.00 176.35 177.56 1nik n GLU 112 N 6.71 0.89 0.00 1.70 2.13 -1.26 -4.56 120.64 126.25 1nik n GLU 112 Ca 0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.96 1nik n GLU 112 Cb 0.45 -1.19 0.00 0.00 0.27 0.00 0.00 31.44 30.97 1nik n GLU 112 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nik n GLY 113 N 0.24 1.63 3.88 8.31 0.00 -1.26 -5.13 105.19 112.86 1nik n GLY 113 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1nik n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nik s GLU 114 N -0.15 3.72 0.00 1.61 0.41 -1.26 -5.01 118.70 118.02 1nik s GLU 114 Ca 0.00 0.10 0.00 0.00 -0.41 0.00 0.00 54.97 54.66 1nik s GLU 114 Cb 0.00 -2.81 0.00 0.00 -1.78 0.00 0.00 34.13 29.54 1nik s GLU 114 CO 0.00 0.44 0.00 2.41 -0.49 0.00 0.00 175.26 177.62 1nik n THR 115 N 0.19 0.00 -2.32 3.63 -1.04 -1.26 -4.97 114.28 108.52 1nik n THR 115 Ca -0.03 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.56 1nik n THR 115 Cb 0.52 -0.52 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 1nik n THR 115 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1nik s ASP 116 N -2.62 6.91 0.13 8.00 -1.08 -1.26 -4.95 116.67 121.80 1nik s ASP 116 Ca 0.00 1.93 -0.27 0.00 -0.52 0.00 0.00 52.55 53.69 1nik s ASP 116 Cb 0.00 -2.55 -0.07 0.00 -1.46 0.00 0.00 42.92 38.84 1nik s ASP 116 CO 0.00 -0.71 1.47 1.55 0.52 0.00 0.00 175.17 178.00 1nik h PRO 117 N 7.98 -0.08 -0.34 4.34 0.13 -1.91 -0.46 132.00 141.67 1nik h PRO 117 Ca -0.34 0.01 0.07 0.00 -0.87 0.00 0.00 66.00 64.87 1nik h PRO 117 Cb 1.15 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.22 1nik h PRO 117 CO 0.92 -0.05 -0.34 1.25 -0.23 0.00 0.00 178.00 179.55 1nik h LEU 118 N -0.08 -1.11 -1.29 1.56 5.85 -1.90 0.32 115.31 118.66 1nik h LEU 118 Ca 0.12 0.18 0.19 0.00 0.84 0.00 0.00 57.88 59.21 1nik h LEU 118 Cb 0.39 0.50 -0.08 0.00 0.37 0.00 0.00 40.66 41.84 1nik h LEU 118 CO -0.74 -0.34 0.60 -0.09 -0.34 0.00 0.00 178.44 177.54 1nik h ARG 119 N -0.29 0.58 0.40 1.25 9.65 -1.75 0.59 114.38 124.80 1nik h ARG 119 Ca 0.15 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.98 1nik h ARG 119 Cb 0.55 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.00 1nik h ARG 119 CO -0.50 0.38 -0.19 0.82 2.80 0.00 0.00 179.97 183.28 1nik h ILE 120 N 0.59 0.00 -1.21 1.20 2.04 0.70 -2.98 117.51 117.86 1nik h ILE 120 Ca 0.50 -0.30 0.35 0.00 1.00 0.00 0.00 64.86 66.42 1nik h ILE 120 Cb 0.99 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.97 1nik h ILE 120 CO -0.25 0.00 0.80 0.00 0.00 0.00 0.00 178.15 178.70 1nik h ALA 121 N -1.45 2.64 -0.58 1.87 0.00 0.47 1.11 119.26 123.32 1nik h ALA 121 Ca -0.05 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nik h ALA 121 Cb 0.41 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1nik h ALA 121 CO 0.09 -1.12 0.34 0.52 0.00 0.00 0.00 179.25 179.08 1nik h MET 122 N 0.20 0.78 0.00 0.00 2.86 0.19 -1.78 114.93 117.18 1nik h MET 122 Ca 0.69 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 58.25 1nik h MET 122 Cb 2.13 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 33.62 1nik h MET 122 CO -0.28 0.57 0.00 1.17 1.06 0.00 0.00 176.91 179.43 1nik n LYS 123 N -4.63 0.12 0.12 1.72 4.81 0.37 -1.25 118.16 119.43 1nik n LYS 123 Ca 0.04 0.25 0.05 0.00 -0.87 0.00 0.00 58.31 57.78 1nik n LYS 123 Cb 0.06 -1.68 0.02 0.00 0.02 0.00 0.00 35.03 33.45 1nik n LYS 123 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1nik h GLU 124 N 0.00 0.00 0.17 1.64 5.08 -0.37 -3.23 114.58 117.87 1nik h GLU 124 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1nik h GLU 124 Cb 0.44 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.70 1nik h GLU 124 CO 0.00 0.26 -1.48 1.25 -1.00 0.00 0.00 179.01 178.05 1nik h LEU 125 N 0.00 0.55 -1.31 1.33 5.85 -0.91 0.43 115.31 121.25 1nik h LEU 125 Ca -0.04 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.77 1nik h LEU 125 Cb 1.29 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1nik h LEU 125 CO 0.04 1.67 0.00 0.00 -0.34 0.00 0.00 178.44 179.81 1nik n ALA 126 N -2.86 1.04 -2.01 1.25 0.00 -0.38 -0.40 120.51 117.14 1nik n ALA 126 Ca -0.22 0.18 -0.06 0.00 0.00 0.00 0.00 53.44 53.34 1nik n ALA 126 Cb 0.99 -1.29 0.10 0.00 0.00 0.00 0.00 19.45 19.25 1nik n ALA 126 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nik n GLU 127 N -2.19 2.16 -3.07 0.00 1.02 -1.22 -5.00 120.64 112.35 1nik n GLU 127 Ca -0.01 -3.49 -0.14 0.00 -0.02 0.00 0.00 57.16 53.49 1nik n GLU 127 Cb 0.03 -1.66 -0.04 0.00 -0.02 0.00 0.00 31.44 29.75 1nik n GLU 127 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1nik n LYS 128 N -0.71 -0.94 -2.28 3.49 5.02 0.46 -4.81 118.16 118.39 1nik n LYS 128 Ca 0.25 0.04 -0.26 0.00 -2.02 0.00 0.00 58.31 56.33 1nik n LYS 128 Cb 0.86 -1.62 0.01 0.00 -0.02 0.00 0.00 35.03 34.26 1nik n LYS 128 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1nik n LYS 129 N -2.29 3.51 -4.01 1.97 5.02 0.15 -4.81 118.16 117.70 1nik n LYS 129 Ca -0.07 -4.36 -0.32 0.00 -2.02 0.00 0.00 58.31 51.54 1nik n LYS 129 Cb 0.25 -2.26 -0.15 0.00 -0.02 0.00 0.00 35.03 32.85 1nik n LYS 129 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1nik s ILE 130 N -5.12 2.35 -0.48 -0.18 1.01 -1.24 -4.78 121.20 112.76 1nik s ILE 130 Ca 0.49 -2.24 -0.03 0.00 0.00 0.00 0.00 60.65 58.87 1nik s ILE 130 Cb 0.40 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 1nik s ILE 130 CO -0.09 -0.54 1.58 -0.81 0.00 0.00 0.00 174.94 175.08 1nik n PRO 131 N 4.30 1.09 -4.37 2.79 -0.04 -1.26 -4.64 135.00 132.87 1nik n PRO 131 Ca 0.01 -1.01 -0.21 0.00 -0.04 0.00 0.00 63.50 62.26 1nik n PRO 131 Cb 0.42 -2.24 -0.13 0.00 -0.04 0.00 0.00 33.50 31.51 1nik n PRO 131 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1nik s LEU 132 N 0.06 2.20 0.00 1.53 1.43 -1.26 -5.10 118.68 117.54 1nik s LEU 132 Ca 0.21 -0.52 0.06 0.00 -1.03 0.00 0.00 54.13 52.85 1nik s LEU 132 Cb 0.05 -0.68 -0.02 0.00 0.03 0.00 0.00 46.19 45.57 1nik s LEU 132 CO -0.02 0.04 -0.17 -0.69 0.23 0.00 0.00 176.35 175.74 1nik s VAL 133 N -0.94 1.38 -0.18 -1.59 1.01 -1.26 -2.36 120.40 116.46 1nik s VAL 133 Ca 0.03 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 1nik s VAL 133 Cb -0.09 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 1nik s VAL 133 CO 0.02 0.30 0.11 -0.63 0.00 0.00 0.00 175.10 174.90 1nik s ILE 134 N -0.53 5.21 -0.41 2.22 1.01 0.28 -4.93 121.20 124.05 1nik s ILE 134 Ca 0.06 0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.72 1nik s ILE 134 Cb -0.07 -3.35 0.06 0.00 0.01 0.00 0.00 42.46 39.12 1nik s ILE 134 CO 0.00 0.48 0.26 -0.60 0.00 0.00 0.00 174.94 175.08 1nik s ARG 135 N 0.08 2.70 -0.65 2.79 3.52 -1.26 0.26 118.95 126.38 1nik s ARG 135 Ca 0.08 -1.35 -0.22 0.00 -0.13 0.00 0.00 55.73 54.11 1nik s ARG 135 Cb -0.12 -3.80 0.08 0.00 -1.56 0.00 0.00 34.95 29.55 1nik s ARG 135 CO -0.00 -0.89 0.93 1.03 -0.81 0.00 0.00 175.30 175.55 1nik s ARG 136 N 1.48 3.11 0.19 5.12 0.52 0.26 -4.87 118.95 124.75 1nik s ARG 136 Ca 0.03 -0.91 -0.30 0.00 -0.52 0.00 0.00 55.73 54.02 1nik s ARG 136 Cb -0.22 -4.24 -0.08 0.00 0.52 0.00 0.00 34.95 30.93 1nik s ARG 136 CO 0.04 -1.78 1.18 0.71 0.02 0.00 0.00 175.30 175.47 1nik s TYR 137 N 3.86 3.45 0.49 -0.53 1.51 -1.26 -1.30 117.35 123.56 1nik s TYR 137 Ca 0.21 1.45 -0.04 0.00 -1.01 0.00 0.00 57.07 57.68 1nik s TYR 137 Cb -0.18 -3.41 0.10 0.00 -0.11 0.00 0.00 41.96 38.37 1nik s TYR 137 CO 0.09 -1.11 0.67 1.28 -1.11 0.00 0.00 175.55 175.38 1nik n LEU 138 N 2.46 0.00 -0.02 -1.29 4.77 -0.37 -4.93 117.00 117.62 1nik n LEU 138 Ca 0.04 -1.08 0.14 0.00 -0.03 0.00 0.00 56.01 55.08 1nik n LEU 138 Cb 0.45 -0.47 0.61 0.00 -2.33 0.00 0.00 43.42 41.68 1nik n LEU 138 CO 0.55 -0.90 0.90 -0.81 -1.33 0.00 0.00 177.39 175.80 1nik n PRO 139 N -2.32 0.26 0.03 3.23 -0.04 -1.26 -3.72 135.00 131.17 1nik n PRO 139 Ca 0.10 -0.05 -0.16 0.00 -0.04 0.00 0.00 63.50 63.35 1nik n PRO 139 Cb 0.34 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 1nik n PRO 139 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1nik h ASP 140 N 0.12 0.29 0.00 3.54 2.03 -2.03 -3.48 116.42 116.89 1nik h ASP 140 Ca 0.00 -0.49 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 1nik h ASP 140 Cb 0.41 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 38.82 1nik h ASP 140 CO 0.00 1.42 0.00 0.61 -1.03 0.00 0.00 179.24 180.24 1nik n GLY 141 N 1.70 1.84 0.63 7.15 0.00 -1.24 -5.07 105.19 110.20 1nik n GLY 141 Ca -0.19 -0.13 -0.06 0.00 0.00 0.00 0.00 46.02 45.64 1nik n GLY 141 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nik n SER 142 N 0.00 -2.41 -2.32 1.61 3.41 -1.26 -3.37 113.62 109.29 1nik n SER 142 Ca 0.00 -0.17 -0.01 0.00 -0.26 0.00 0.00 58.87 58.43 1nik n SER 142 Cb 0.00 -0.20 0.01 0.00 -0.26 0.00 0.00 64.21 63.76 1nik n SER 142 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1nik n PHE 143 N -3.55 -0.76 -3.69 7.33 1.16 -1.26 -1.23 117.46 115.45 1nik n PHE 143 Ca 0.03 -0.59 -0.11 0.00 -1.87 0.00 0.00 57.45 54.91 1nik n PHE 143 Cb 0.12 0.28 -0.11 0.00 -1.61 0.00 0.00 39.48 38.16 1nik n PHE 143 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 1nik s GLU 144 N -2.02 0.31 -0.30 3.97 2.02 -0.42 -3.52 118.70 118.74 1nik s GLU 144 Ca 0.13 0.77 -0.17 0.00 0.02 0.00 0.00 54.97 55.72 1nik s GLU 144 Cb -0.01 0.02 -0.02 0.00 0.10 0.00 0.00 34.13 34.21 1nik s GLU 144 CO 0.02 -0.19 0.49 -0.51 0.02 0.00 0.00 175.26 175.08 1nik s ASP 145 N 1.70 6.35 -0.03 -0.19 1.01 -1.26 -0.58 116.67 123.67 1nik s ASP 145 Ca -0.07 0.25 0.04 0.00 0.71 0.00 0.00 52.55 53.48 1nik s ASP 145 Cb -0.10 -2.26 -0.03 0.00 1.01 0.00 0.00 42.92 41.54 1nik s ASP 145 CO -0.11 -0.35 -0.13 0.26 0.21 0.00 0.00 175.17 175.05 1nik s TRP 146 N 2.30 2.72 -0.10 4.23 0.52 0.14 -4.95 118.94 123.80 1nik s TRP 146 Ca 0.19 -0.15 -0.06 0.00 0.02 0.00 0.00 56.10 56.11 1nik s TRP 146 Cb -0.16 -1.61 -0.04 0.00 -1.15 0.00 0.00 33.47 30.52 1nik s TRP 146 CO 0.11 0.23 0.13 -1.54 0.02 0.00 0.00 176.95 175.90 1nik s SER 147 N -0.91 6.26 0.45 2.95 1.04 -1.26 0.10 113.70 122.33 1nik s SER 147 Ca 0.13 0.42 0.21 0.00 0.48 0.00 0.00 55.95 57.19 1nik s SER 147 Cb -0.11 -1.99 1.17 0.00 0.10 0.00 0.00 66.02 65.19 1nik s SER 147 CO 0.02 0.39 1.61 0.58 0.98 0.00 0.00 173.24 176.82 1nik h VAL 148 N 3.85 0.00 0.07 5.02 2.07 -1.73 0.68 116.25 126.21 1nik h VAL 148 Ca -0.54 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 66.72 1nik h VAL 148 Cb 1.22 0.48 0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1nik h VAL 148 CO 0.59 0.00 -1.12 -0.33 0.02 0.00 0.00 177.57 176.73 1nik h GLU 149 N 0.00 0.45 0.31 1.57 5.08 -1.85 -3.36 114.58 116.78 1nik h GLU 149 Ca 0.00 -0.58 -0.02 0.00 -1.00 0.00 0.00 59.36 57.76 1nik h GLU 149 Cb 0.48 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1nik h GLU 149 CO 0.00 1.23 -0.15 0.93 -1.00 0.00 0.00 179.01 180.02 1nik h GLU 150 N 0.21 -0.41 -6.12 2.33 5.08 -0.05 -3.46 114.58 112.16 1nik h GLU 150 Ca -0.13 0.03 -0.75 0.00 -1.00 0.00 0.00 59.36 57.51 1nik h GLU 150 Cb 1.80 0.09 0.05 0.00 0.50 0.00 0.00 28.75 31.19 1nik h GLU 150 CO 0.20 -0.27 0.29 1.28 -1.00 0.00 0.00 179.01 179.51 1nik n LEU 151 N -4.57 0.83 -4.75 1.33 4.77 -0.71 -4.95 117.00 108.94 1nik n LEU 151 Ca -0.05 1.14 -0.40 0.00 -0.03 0.00 0.00 56.01 56.67 1nik n LEU 151 Cb 0.17 -1.04 -0.05 0.00 -2.33 0.00 0.00 43.42 40.17 1nik n LEU 151 CO 0.13 -1.44 0.44 -0.63 -1.33 0.00 0.00 177.39 174.55 1nik s ILE 152 N 0.52 4.71 -0.77 -0.08 1.01 -1.08 -4.81 121.20 120.69 1nik s ILE 152 Ca 0.89 1.57 0.00 0.00 0.00 0.00 0.00 60.65 63.11 1nik s ILE 152 Cb -1.15 -4.08 0.19 0.00 0.01 0.00 0.00 42.46 37.43 1nik s ILE 152 CO 0.55 0.40 0.61 -0.69 0.00 0.00 0.00 174.94 175.80 1nik s VAL 153 N -0.26 3.73 0.00 2.92 1.01 -1.26 -1.24 120.40 125.31 1nik s VAL 153 Ca 0.37 -3.79 0.00 0.00 0.00 0.00 0.00 61.98 58.56 1nik s VAL 153 Cb -0.20 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1nik s VAL 153 CO 0.22 -1.01 0.00 -0.67 0.00 0.00 0.00 175.10 173.64 1nik n ASP 154 N 2.49 0.00 0.00 3.32 -0.08 -1.26 -5.08 116.55 115.93 1nik n ASP 154 Ca 0.17 0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.49 1nik n ASP 154 Cb 0.36 -0.05 0.00 0.00 2.34 0.00 0.00 41.12 43.78 1nik n ASP 154 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50