#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k89 s ASN 50 N 0.00 6.06 0.00 0.00 0.01 -1.26 -5.07 114.94 114.69 2k89 s ASN 50 Ca 0.00 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 51.91 2k89 s ASN 50 Cb 0.00 -2.14 0.00 0.00 0.41 0.00 0.00 41.25 39.52 2k89 s ASN 50 CO 0.00 -0.18 0.00 0.00 -1.51 0.00 0.00 177.10 175.41 2k89 n GLN 51 N 5.12 2.58 -0.18 -0.60 6.02 -1.26 -4.96 117.38 124.09 2k89 n GLN 51 Ca -0.13 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 56.96 2k89 n GLN 51 Cb 0.50 0.00 0.39 0.00 1.02 0.00 0.00 30.24 32.16 2k89 n GLN 51 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2k89 h GLN 52 N 0.00 0.64 -2.13 -1.09 4.20 -2.08 -3.48 115.11 111.17 2k89 h GLN 52 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2k89 h GLN 52 Cb 0.00 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.64 2k89 h GLN 52 CO 0.00 0.42 -0.28 2.41 -0.67 0.00 0.00 178.83 180.71 2k89 n THR 53 N -4.49 -5.37 -0.01 -0.54 -1.04 -1.26 -4.98 114.28 96.58 2k89 n THR 53 Ca 0.12 0.99 -0.21 0.00 -2.04 0.00 0.00 64.05 62.91 2k89 n THR 53 Cb 0.33 -3.21 -0.14 0.00 -1.82 0.00 0.00 70.33 65.49 2k89 n THR 53 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2k89 n SER 54 N 0.55 2.09 0.00 8.00 2.88 -1.26 -5.00 113.62 120.87 2k89 n SER 54 Ca 0.00 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 2k89 n SER 54 Cb 0.00 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 2k89 n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k89 n GLY 55 N 2.03 0.86 3.87 0.46 0.00 -1.26 -5.17 105.19 105.98 2k89 n GLY 55 Ca -0.34 0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 2k89 n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k89 s LYS 56 N 0.00 3.71 -0.27 1.61 3.01 -1.26 -4.93 119.74 121.62 2k89 s LYS 56 Ca 0.00 0.70 -0.12 0.00 -1.01 0.00 0.00 55.97 55.54 2k89 s LYS 56 Cb 0.00 -2.17 -0.05 0.00 -1.01 0.00 0.00 37.83 34.60 2k89 s LYS 56 CO 0.00 -0.37 0.25 0.08 0.51 0.00 0.00 175.35 175.82 2k89 s VAL 57 N -2.87 5.27 -0.39 3.17 1.01 0.22 -4.86 120.40 121.95 2k89 s VAL 57 Ca 0.55 0.31 -0.20 0.00 0.00 0.00 0.00 61.98 62.63 2k89 s VAL 57 Cb -0.10 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.70 2k89 s VAL 57 CO 0.43 0.24 0.62 -0.22 0.00 0.00 0.00 175.10 176.17 2k89 s LEU 58 N 1.74 4.39 -0.16 3.92 2.96 -1.26 -0.76 118.68 129.51 2k89 s LEU 58 Ca 0.10 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 2k89 s LEU 58 Cb -0.16 -2.72 0.01 0.00 0.50 0.00 0.00 46.19 43.82 2k89 s LEU 58 CO 0.10 -0.66 -0.20 -0.72 -1.32 0.00 0.00 176.35 173.55 2k89 s TYR 59 N 2.70 2.74 -0.71 5.38 1.13 0.12 -4.73 117.35 123.98 2k89 s TYR 59 Ca 0.23 -1.47 0.00 0.00 -1.41 0.00 0.00 57.07 54.42 2k89 s TYR 59 Cb -0.14 -1.88 0.00 0.00 -1.10 0.00 0.00 41.96 38.84 2k89 s TYR 59 CO 0.16 -0.70 0.00 0.39 -2.51 0.00 0.00 175.55 172.89 2k89 n GLU 60 N 4.36 -1.77 0.00 -3.49 -0.58 -1.26 -0.66 120.64 117.24 2k89 n GLU 60 Ca -0.20 0.66 0.00 0.00 -0.42 0.00 0.00 57.16 57.19 2k89 n GLU 60 Cb 0.51 -4.89 0.00 0.00 -0.57 0.00 0.00 31.44 26.49 2k89 n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k89 n GLY 61 N 0.39 1.05 3.65 0.62 0.00 -1.26 -5.10 105.19 104.54 2k89 n GLY 61 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 2k89 n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k89 s LYS 62 N -0.29 2.58 -0.17 1.61 2.20 0.17 -5.08 119.74 120.76 2k89 s LYS 62 Ca 0.00 -0.75 -0.05 0.00 -0.36 0.00 0.00 55.97 54.81 2k89 s LYS 62 Cb 0.00 -2.54 -0.03 0.00 -1.51 0.00 0.00 37.83 33.75 2k89 s LYS 62 CO 0.00 0.58 -0.01 -1.21 -0.36 0.00 0.00 175.35 174.36 2k89 s GLU 63 N -1.79 3.72 0.42 4.03 2.02 -1.26 0.15 118.70 125.99 2k89 s GLU 63 Ca 0.21 -0.48 0.04 0.00 0.02 0.00 0.00 54.97 54.76 2k89 s GLU 63 Cb -0.11 -3.02 -0.05 0.00 0.10 0.00 0.00 34.13 31.04 2k89 s GLU 63 CO 0.12 0.18 0.03 -0.06 0.02 0.00 0.00 175.26 175.55 2k89 s PHE 64 N 0.55 2.13 0.04 1.61 0.08 0.07 -4.88 117.98 117.57 2k89 s PHE 64 Ca -0.01 -0.89 -0.16 0.00 0.12 0.00 0.00 56.93 55.99 2k89 s PHE 64 Cb -0.14 -1.56 -0.08 0.00 -0.57 0.00 0.00 43.02 40.68 2k89 s PHE 64 CO 0.02 0.21 1.25 0.22 -0.10 0.00 0.00 175.22 176.82 2k89 h ASP 65 N 1.72 -0.65 -3.14 1.36 1.82 -1.86 0.65 116.42 116.32 2k89 h ASP 65 Ca -0.42 0.05 -0.25 0.00 -0.39 0.00 0.00 57.03 56.01 2k89 h ASP 65 Cb 1.27 0.21 -0.34 0.00 0.68 0.00 0.00 39.33 41.16 2k89 h ASP 65 CO 0.74 -0.31 -0.59 -0.31 -1.61 0.00 0.00 179.24 177.16 2k89 s TYR 66 N -4.30 -0.25 -0.02 0.28 1.51 0.24 -3.86 117.35 110.97 2k89 s TYR 66 Ca -0.08 0.69 0.02 0.00 -1.01 0.00 0.00 57.07 56.69 2k89 s TYR 66 Cb 0.02 -0.14 -0.03 0.00 -0.11 0.00 0.00 41.96 41.70 2k89 s TYR 66 CO 0.27 -0.26 -0.06 0.14 -1.11 0.00 0.00 175.55 174.53 2k89 s VAL 67 N 1.97 3.71 0.23 0.71 -7.23 -1.26 -0.35 120.40 118.18 2k89 s VAL 67 Ca -0.01 -0.68 0.02 0.00 -1.81 0.00 0.00 61.98 59.50 2k89 s VAL 67 Cb -0.12 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.20 2k89 s VAL 67 CO -0.07 0.44 0.38 0.12 -0.31 0.00 0.00 175.10 175.67 2k89 s PHE 68 N -0.96 3.47 -0.28 2.82 5.36 0.35 -4.81 117.98 123.93 2k89 s PHE 68 Ca 0.16 0.16 -0.16 0.00 -0.96 0.00 0.00 56.93 56.13 2k89 s PHE 68 Cb -0.11 -1.71 -0.03 0.00 -0.34 0.00 0.00 43.02 40.82 2k89 s PHE 68 CO 0.06 0.39 0.41 0.45 -1.46 0.00 0.00 175.22 175.07 2k89 s SER 69 N -3.61 6.28 -0.28 6.13 0.15 -1.26 0.24 113.70 121.35 2k89 s SER 69 Ca 0.36 0.24 -0.07 0.00 0.70 0.00 0.00 55.95 57.18 2k89 s SER 69 Cb -0.10 -2.23 -0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2k89 s SER 69 CO 0.30 -0.25 0.08 -0.63 1.20 0.00 0.00 173.24 173.95 2k89 s ILE 70 N 2.14 4.13 -0.25 6.45 -1.09 0.13 -4.94 121.20 127.77 2k89 s ILE 70 Ca 0.16 -0.51 -0.08 0.00 -2.23 0.00 0.00 60.65 57.99 2k89 s ILE 70 Cb -0.16 -3.06 -0.03 0.00 -1.58 0.00 0.00 42.46 37.62 2k89 s ILE 70 CO 0.10 0.16 0.10 1.51 -1.23 0.00 0.00 174.94 175.58 2k89 s ASP 71 N 1.55 5.36 0.05 3.58 -4.77 -1.26 -0.23 116.67 120.95 2k89 s ASP 71 Ca 0.04 -0.15 0.23 0.00 -3.30 0.00 0.00 52.55 49.38 2k89 s ASP 71 Cb -0.16 -1.97 0.10 0.00 -1.09 0.00 0.00 42.92 39.79 2k89 s ASP 71 CO 0.03 -0.03 1.08 0.55 0.70 0.00 0.00 175.17 177.50 2k89 n VAL 72 N 4.88 0.16 -3.56 2.11 3.14 -1.26 -4.96 118.33 118.83 2k89 n VAL 72 Ca -0.16 -0.21 -0.14 0.00 -2.96 0.00 0.00 64.34 60.87 2k89 n VAL 72 Cb 0.52 0.23 -0.06 0.00 -1.06 0.00 0.00 33.84 33.46 2k89 n VAL 72 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2k89 s ASN 73 N -3.82 -0.53 0.20 6.55 2.47 -1.26 -5.04 114.94 113.51 2k89 s ASN 73 Ca 0.05 0.65 -0.31 0.00 0.42 0.00 0.00 52.86 53.66 2k89 s ASN 73 Cb 0.15 0.53 -0.10 0.00 -1.45 0.00 0.00 41.25 40.37 2k89 s ASN 73 CO 0.79 -0.43 1.54 -0.70 -3.72 0.00 0.00 177.10 174.57 2k89 s GLU 74 N -0.93 4.22 0.00 0.43 2.12 -1.26 -3.63 118.70 119.64 2k89 s GLU 74 Ca -0.05 2.38 0.00 0.00 0.36 0.00 0.00 54.97 57.65 2k89 s GLU 74 Cb -0.01 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.26 2k89 s GLU 74 CO 0.05 -0.56 0.00 0.41 -0.54 0.00 0.00 175.26 174.61 2k89 n GLY 75 N 3.14 2.04 3.44 -1.50 0.00 -1.26 -4.90 105.19 106.16 2k89 n GLY 75 Ca 0.11 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 2k89 n GLY 75 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k89 s GLY 76 N 0.00 -0.05 0.46 -0.02 0.00 -1.24 -4.68 107.32 101.79 2k89 s GLY 76 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 44.72 44.43 2k89 s GLY 76 CO 0.00 -0.36 0.71 2.56 0.00 0.00 0.00 173.10 176.01 2k89 s PRO 77 N -3.87 3.19 -0.26 2.90 0.04 -1.26 -4.48 135.00 131.26 2k89 s PRO 77 Ca 0.09 -0.27 -0.15 0.00 0.04 0.00 0.00 61.00 60.71 2k89 s PRO 77 Cb 0.00 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 2k89 s PRO 77 CO -0.05 -0.26 0.38 -1.12 0.04 0.00 0.00 177.00 175.99 2k89 s SER 78 N -4.18 6.28 0.32 6.66 0.01 -1.26 -4.19 113.70 117.33 2k89 s SER 78 Ca 0.48 0.32 0.07 0.00 1.31 0.00 0.00 55.95 58.13 2k89 s SER 78 Cb -0.10 -2.21 -0.03 0.00 0.21 0.00 0.00 66.02 63.89 2k89 s SER 78 CO 0.40 -0.17 0.30 -0.31 0.41 0.00 0.00 173.24 173.87 2k89 s TYR 79 N 1.95 2.97 -0.01 2.43 2.02 0.69 -4.96 117.35 122.43 2k89 s TYR 79 Ca 0.16 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.62 2k89 s TYR 79 Cb -0.16 -1.75 0.00 0.00 -0.40 0.00 0.00 41.96 39.66 2k89 s TYR 79 CO 0.09 0.23 -0.07 0.15 -1.57 0.00 0.00 175.55 174.38 2k89 s LYS 80 N -3.99 0.66 -0.63 -0.62 -0.14 -1.26 0.20 119.74 113.97 2k89 s LYS 80 Ca 0.40 -0.24 -0.08 0.00 -1.36 0.00 0.00 55.97 54.69 2k89 s LYS 80 Cb -0.07 -0.65 0.16 0.00 -1.68 0.00 0.00 37.83 35.60 2k89 s LYS 80 CO 0.27 0.11 0.50 -1.17 -0.76 0.00 0.00 175.35 174.30 2k89 s LEU 81 N 0.05 5.81 0.17 3.17 0.20 0.14 -4.88 118.68 123.34 2k89 s LEU 81 Ca -0.00 -2.49 -0.31 0.00 0.69 0.00 0.00 54.13 52.02 2k89 s LEU 81 Cb -0.05 -2.00 -0.09 0.00 -0.43 0.00 0.00 46.19 43.61 2k89 s LEU 81 CO -0.00 -0.54 1.48 -2.84 -0.29 0.00 0.00 176.35 174.16 2k89 s PRO 82 N 0.49 4.26 -0.05 0.98 0.02 -1.26 -0.50 135.00 138.94 2k89 s PRO 82 Ca 0.13 2.26 -0.02 0.00 0.02 0.00 0.00 61.00 63.39 2k89 s PRO 82 Cb -0.20 -3.17 0.04 0.00 0.02 0.00 0.00 34.50 31.19 2k89 s PRO 82 CO -0.04 -0.50 0.11 -0.47 -0.33 0.00 0.00 177.00 175.76 2k89 s TYR 83 N 0.82 -0.09 -0.14 6.54 5.04 0.52 -4.90 117.35 125.13 2k89 s TYR 83 Ca 0.65 0.37 -0.04 0.00 -2.44 0.00 0.00 57.07 55.61 2k89 s TYR 83 Cb -0.41 -0.16 -0.03 0.00 0.35 0.00 0.00 41.96 41.71 2k89 s TYR 83 CO 0.34 -0.15 0.00 0.54 -1.34 0.00 0.00 175.55 174.94 2k89 s ASN 84 N 1.23 5.14 0.57 4.32 4.22 -1.26 -0.59 114.94 128.58 2k89 s ASN 84 Ca -0.08 0.00 0.37 0.00 -2.14 0.00 0.00 52.86 51.01 2k89 s ASN 84 Cb -0.12 -1.75 1.80 0.00 1.28 0.00 0.00 41.25 42.45 2k89 s ASN 84 CO -0.05 0.22 2.12 0.71 -2.04 0.00 0.00 177.10 178.07 2k89 h THR 85 N 4.81 0.00 -0.01 0.54 1.35 -1.96 -0.49 112.91 117.16 2k89 h THR 85 Ca -0.38 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 2k89 h THR 85 Cb 1.18 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2k89 h THR 85 CO 0.63 0.00 -0.14 -0.24 -0.25 0.00 0.00 175.52 175.52 2k89 n SER 86 N -3.00 0.65 -4.95 5.36 2.88 -1.26 -4.90 113.62 108.41 2k89 n SER 86 Ca -0.01 -0.70 -0.20 0.00 -1.33 0.00 0.00 58.87 56.63 2k89 n SER 86 Cb 0.19 -0.01 0.07 0.00 -0.75 0.00 0.00 64.21 63.70 2k89 n SER 86 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k89 s ASP 87 N -2.46 4.99 0.10 -3.46 -1.08 -0.19 -5.11 116.67 109.46 2k89 s ASP 87 Ca 0.28 -0.66 -0.03 0.00 -0.52 0.00 0.00 52.55 51.61 2k89 s ASP 87 Cb 0.20 0.08 -0.05 0.00 -1.46 0.00 0.00 42.92 41.69 2k89 s ASP 87 CO 0.48 -1.39 0.31 -1.81 0.52 0.00 0.00 175.17 173.27 2k89 s ASP 88 N -4.64 6.45 0.04 -0.34 1.11 -1.26 -4.98 116.67 113.04 2k89 s ASP 88 Ca 0.62 0.48 -0.17 0.00 0.18 0.00 0.00 52.55 53.66 2k89 s ASP 88 Cb -0.06 -2.05 -0.08 0.00 1.07 0.00 0.00 42.92 41.80 2k89 s ASP 88 CO 0.40 0.12 1.26 1.55 1.18 0.00 0.00 175.17 179.68 2k89 h PRO 89 N 3.07 -0.47 0.00 8.23 0.13 -1.92 -0.20 132.00 140.84 2k89 h PRO 89 Ca -0.46 0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 2k89 h PRO 89 Cb 1.17 0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2k89 h PRO 89 CO 0.73 -0.31 -0.06 0.11 -0.23 0.00 0.00 178.00 178.24 2k89 h TRP 90 N -0.49 0.00 -0.05 1.56 5.08 -1.88 0.20 115.95 120.36 2k89 h TRP 90 Ca -0.03 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.89 2k89 h TRP 90 Cb 0.42 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.58 2k89 h TRP 90 CO -0.14 0.06 -0.17 -0.07 -1.28 0.00 0.00 178.44 176.84 2k89 h LEU 91 N 0.00 0.24 -0.41 0.11 3.38 -1.94 -0.31 115.31 116.38 2k89 h LEU 91 Ca -0.00 -0.62 -0.05 0.00 0.09 0.00 0.00 57.88 57.31 2k89 h LEU 91 Cb 0.12 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2k89 h LEU 91 CO 0.01 0.82 0.08 0.74 0.09 0.00 0.00 178.44 180.17 2k89 h THR 92 N -0.32 1.24 -0.68 0.22 2.02 -0.17 0.45 112.91 115.67 2k89 h THR 92 Ca -0.01 -0.85 -0.05 0.00 0.77 0.00 0.00 66.41 66.28 2k89 h THR 92 Cb 0.80 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 2k89 h THR 92 CO 0.04 0.29 0.23 0.00 0.37 0.00 0.00 175.52 176.44 2k89 h ALA 93 N 0.94 0.89 -0.66 6.16 0.00 -0.72 -2.14 119.26 123.72 2k89 h ALA 93 Ca 0.13 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2k89 h ALA 93 Cb 0.35 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2k89 h ALA 93 CO 0.01 0.55 0.21 -0.92 0.00 0.00 0.00 179.25 179.10 2k89 h TYR 94 N 0.98 1.05 -0.33 0.00 5.03 -0.75 0.14 116.97 123.09 2k89 h TYR 94 Ca 0.22 -0.10 0.04 0.00 2.58 0.00 0.00 58.73 61.47 2k89 h TYR 94 Cb 0.28 -0.30 -0.04 0.00 1.55 0.00 0.00 36.73 38.22 2k89 h TYR 94 CO 0.02 0.84 0.11 -0.91 -1.32 0.00 0.00 178.16 176.91 2k89 h ASN 95 N 0.95 0.12 -0.31 -2.11 2.35 -0.55 -0.08 115.58 115.96 2k89 h ASN 95 Ca 0.21 0.03 -0.17 0.00 -0.55 0.00 0.00 56.30 55.83 2k89 h ASN 95 Cb 0.28 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 2k89 h ASN 95 CO -0.01 0.11 -0.46 0.15 -1.65 0.00 0.00 177.43 175.57 2k89 h PHE 96 N 0.26 1.08 -0.39 1.19 3.57 -1.19 -0.27 116.94 121.19 2k89 h PHE 96 Ca 0.15 -0.35 0.03 0.00 3.53 0.00 0.00 57.97 61.33 2k89 h PHE 96 Cb 0.12 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 2k89 h PHE 96 CO -0.14 1.17 0.20 1.25 -2.23 0.00 0.00 178.31 178.56 2k89 h LEU 97 N 0.70 0.30 -0.52 0.59 5.85 -0.31 0.11 115.31 122.04 2k89 h LEU 97 Ca 0.04 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.62 2k89 h LEU 97 Cb 1.05 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 2k89 h LEU 97 CO 0.11 0.22 -0.46 1.56 -0.34 0.00 0.00 178.44 179.52 2k89 h GLN 98 N 0.41 0.69 -0.59 1.25 1.08 -1.01 0.61 115.11 117.54 2k89 h GLN 98 Ca 0.16 -0.39 0.01 0.00 -1.45 0.00 0.00 58.65 56.99 2k89 h GLN 98 Cb 0.06 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 2k89 h GLN 98 CO -0.11 1.00 0.38 -0.22 -0.95 0.00 0.00 178.83 178.94 2k89 h LYS 99 N 0.55 0.75 -0.01 1.46 3.11 -0.15 -2.43 116.57 119.85 2k89 h LYS 99 Ca 0.03 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 2k89 h LYS 99 Cb 1.01 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 32.07 2k89 h LYS 99 CO 0.10 0.50 -0.55 -1.71 -2.81 0.00 0.00 179.45 174.97 2k89 n ASN 100 N -4.70 1.64 -3.08 4.20 4.05 0.31 -4.97 115.26 112.72 2k89 n ASN 100 Ca 0.05 -1.29 -0.14 0.00 0.45 0.00 0.00 54.58 53.65 2k89 n ASN 100 Cb 0.04 0.53 0.07 0.00 1.23 0.00 0.00 39.78 41.65 2k89 n ASN 100 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2k89 n ASP 101 N -0.45 -3.73 -3.46 1.20 2.03 0.11 -5.04 116.55 107.21 2k89 n ASP 101 Ca 0.08 -0.57 -0.18 0.00 0.52 0.00 0.00 54.79 54.65 2k89 n ASP 101 Cb 0.42 -4.57 0.11 0.00 -0.72 0.00 0.00 41.12 36.36 2k89 n ASP 101 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k89 n LEU 102 N -3.42 0.00 -4.84 -2.67 7.99 0.19 -5.00 117.00 109.25 2k89 n LEU 102 Ca -0.17 -1.16 -0.38 0.00 -0.01 0.00 0.00 56.01 54.28 2k89 n LEU 102 Cb 0.63 -0.56 -0.06 0.00 -0.11 0.00 0.00 43.42 43.32 2k89 n LEU 102 CO 0.52 -0.99 0.11 0.21 -1.51 0.00 0.00 177.39 175.74 2k89 s ASN 103 N -3.98 6.82 0.30 -1.43 3.84 -1.26 -4.82 114.94 114.41 2k89 s ASN 103 Ca 0.47 0.98 0.18 0.00 0.21 0.00 0.00 52.86 54.70 2k89 s ASN 103 Cb -0.02 -2.26 0.99 0.00 -0.55 0.00 0.00 41.25 39.41 2k89 s ASN 103 CO 0.32 0.32 1.53 -2.65 -2.79 0.00 0.00 177.10 173.83 2k89 n PRO 104 N 1.78 0.12 0.26 0.43 -0.02 -1.26 -0.57 135.00 135.74 2k89 n PRO 104 Ca -0.14 0.61 0.13 0.00 -2.02 0.00 0.00 63.50 62.09 2k89 n PRO 104 Cb 0.52 -1.95 0.72 0.00 -0.02 0.00 0.00 33.50 32.77 2k89 n PRO 104 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2k89 h MET 105 N 0.00 0.00 0.00 -0.52 -1.53 -2.04 -2.78 114.93 108.06 2k89 h MET 105 Ca 0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 2k89 h MET 105 Cb 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.18 2k89 h MET 105 CO 0.00 0.12 -0.46 0.74 0.14 0.00 0.00 176.91 177.45 2k89 h PHE 106 N 0.00 0.00 -0.53 1.39 0.04 -1.24 -3.37 116.94 113.23 2k89 h PHE 106 Ca -0.00 0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.86 2k89 h PHE 106 Cb 0.36 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.44 2k89 h PHE 106 CO 0.00 0.00 0.14 1.25 -0.60 0.00 0.00 178.31 179.10 2k89 h LEU 107 N 0.00 0.07 -0.64 1.54 5.85 -1.63 -1.11 115.31 119.39 2k89 h LEU 107 Ca 0.00 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 2k89 h LEU 107 Cb 0.92 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 2k89 h LEU 107 CO 0.00 0.06 0.04 -0.78 -0.34 0.00 0.00 178.44 177.42 2k89 h ASP 108 N 0.29 1.07 0.00 1.25 3.58 -1.78 -1.05 116.42 119.78 2k89 h ASP 108 Ca 0.27 -0.29 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 2k89 h ASP 108 Cb 0.35 -0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.11 2k89 h ASP 108 CO -0.32 1.09 -0.00 -0.61 -2.88 0.00 0.00 179.24 176.52 2k89 h GLN 109 N 1.01 -0.00 -0.35 0.28 4.15 -1.47 -0.63 115.11 118.10 2k89 h GLN 109 Ca 0.19 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.48 2k89 h GLN 109 Cb 0.52 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 2k89 h GLN 109 CO 0.03 0.09 -0.28 -0.39 -1.93 0.00 0.00 178.83 176.34 2k89 h VAL 110 N -0.09 1.29 -0.81 2.39 -1.51 -1.25 -2.89 116.25 113.37 2k89 h VAL 110 Ca -0.00 -1.44 -0.02 0.00 -1.23 0.00 0.00 66.70 64.01 2k89 h VAL 110 Cb 0.09 1.43 -0.04 0.00 -2.13 0.00 0.00 31.29 30.64 2k89 h VAL 110 CO 0.00 0.47 0.44 0.00 -1.23 0.00 0.00 177.57 177.25 2k89 h ALA 111 N 0.76 1.24 -0.40 5.19 0.00 -1.09 -0.57 119.26 124.39 2k89 h ALA 111 Ca 0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2k89 h ALA 111 Cb 0.85 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2k89 h ALA 111 CO 0.07 0.61 0.24 0.87 0.00 0.00 0.00 179.25 181.04 2k89 h LYS 112 N 1.14 0.54 -0.90 0.00 6.56 -1.01 0.82 116.57 123.72 2k89 h LYS 112 Ca 0.29 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.82 2k89 h LYS 112 Cb 0.04 -0.11 -0.04 0.00 -0.57 0.00 0.00 32.23 31.54 2k89 h LYS 112 CO -0.04 0.40 0.54 0.35 -2.06 0.00 0.00 179.45 178.63 2k89 h PHE 113 N 0.52 1.19 -0.49 -1.35 3.04 -1.24 -0.06 116.94 118.56 2k89 h PHE 113 Ca 0.14 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.13 2k89 h PHE 113 Cb 0.00 -0.39 -0.04 0.00 2.56 0.00 0.00 35.95 38.08 2k89 h PHE 113 CO -0.03 0.80 0.24 0.82 -2.02 0.00 0.00 178.31 178.11 2k89 h ILE 114 N 1.24 0.94 -0.02 1.41 2.04 -0.48 -2.46 117.51 120.19 2k89 h ILE 114 Ca 0.32 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 66.02 2k89 h ILE 114 Cb -0.04 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2k89 h ILE 114 CO -0.06 0.08 0.01 0.40 0.00 0.00 0.00 178.15 178.58 2k89 h ILE 115 N 0.47 1.07 -0.53 -0.67 2.04 -0.30 -3.15 117.51 116.42 2k89 h ILE 115 Ca 0.22 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 65.95 2k89 h ILE 115 Cb 0.14 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 2k89 h ILE 115 CO -0.16 0.05 0.36 -0.78 0.00 0.00 0.00 178.15 177.62 2k89 h ASP 116 N -0.05 0.42 0.13 1.72 1.82 -0.67 0.34 116.42 120.12 2k89 h ASP 116 Ca 0.01 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.63 2k89 h ASP 116 Cb 0.08 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 40.00 2k89 h ASP 116 CO -0.00 0.27 -0.08 -1.13 -1.61 0.00 0.00 179.24 176.69 2k89 h ASN 117 N 0.48 0.00 -0.19 2.28 -1.24 -1.41 -0.40 115.58 115.10 2k89 h ASN 117 Ca 0.23 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.24 2k89 h ASN 117 Cb 0.31 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.36 2k89 h ASN 117 CO -0.06 0.08 0.00 0.35 -1.29 0.00 0.00 177.43 176.51 2k89 n THR 118 N -4.14 0.33 -3.14 -3.57 -2.24 0.73 -4.78 114.28 97.46 2k89 n THR 118 Ca -0.03 -0.66 -0.14 0.00 -2.27 0.00 0.00 64.05 60.95 2k89 n THR 118 Cb 0.17 1.07 0.04 0.00 -2.10 0.00 0.00 70.33 69.51 2k89 n THR 118 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2k89 n LYS 119 N 0.99 0.77 0.00 -0.78 4.81 0.85 -5.08 118.16 119.72 2k89 n LYS 119 Ca 0.13 -2.14 0.00 0.00 -0.87 0.00 0.00 58.31 55.43 2k89 n LYS 119 Cb 0.46 -0.10 0.00 0.00 0.02 0.00 0.00 35.03 35.41 2k89 n LYS 119 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k89 n GLY 120 N 0.28 -0.73 7.00 3.14 0.00 -1.26 -4.25 105.19 109.37 2k89 n GLY 120 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2k89 n GLY 120 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k89 n GLN 121 N 0.00 0.00 0.18 1.61 3.00 -1.26 -1.45 117.38 119.45 2k89 n GLN 121 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.06 2k89 n GLN 121 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 30.24 30.35 2k89 n GLN 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2k89 h MET 122 N 0.00 0.00 0.00 -1.09 -0.00 -1.85 -3.38 114.93 108.61 2k89 h MET 122 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2k89 h MET 122 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2k89 h MET 122 CO 0.00 0.29 0.00 -0.11 -0.00 0.00 0.00 176.91 177.09 2k89 n LEU 123 N -3.19 2.70 0.00 -0.10 7.94 -0.53 -5.08 117.00 118.75 2k89 n LEU 123 Ca 0.03 0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 2k89 n LEU 123 Cb 0.64 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.58 2k89 n LEU 123 CO 0.37 -0.01 0.00 0.61 -1.11 0.00 0.00 177.39 177.26 2k89 n GLY 124 N 2.24 1.74 0.00 -3.96 0.00 -1.26 -5.09 105.19 98.86 2k89 n GLY 124 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2k89 n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k89 n LEU 125 N 0.00 0.00 -3.93 0.99 4.77 -1.26 -4.97 117.00 112.60 2k89 n LEU 125 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 2k89 n LEU 125 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2k89 n LEU 125 CO 0.00 0.00 2.22 0.61 -1.33 0.00 0.00 177.39 178.89 2k89 n GLY 126 N 2.76 3.02 3.71 -0.72 0.00 -1.26 -4.93 105.19 107.78 2k89 n GLY 126 Ca 0.00 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 2k89 n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k89 s ASN 127 N 4.44 6.36 0.00 1.61 -0.87 -1.26 -5.07 114.94 120.15 2k89 s ASN 127 Ca 0.55 0.41 0.03 0.00 -1.57 0.00 0.00 52.86 52.29 2k89 s ASN 127 Cb 0.11 -2.16 0.21 0.00 -0.02 0.00 0.00 41.25 39.38 2k89 s ASN 127 CO 0.04 0.09 0.69 -2.65 -2.57 0.00 0.00 177.10 172.70