#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ky9 s LYS 2 N 0.00 3.69 -0.01 2.12 1.02 -1.26 -4.94 119.74 120.36 2ky9 s LYS 2 Ca 0.00 0.97 -0.30 0.00 0.02 0.00 0.00 55.97 56.66 2ky9 s LYS 2 Cb 0.00 -2.09 -0.06 0.00 -0.52 0.00 0.00 37.83 35.16 2ky9 s LYS 2 CO 0.00 -0.49 1.55 0.08 -0.92 0.00 0.00 175.35 175.57 2ky9 s VAL 3 N -2.72 3.53 0.00 3.17 1.01 -1.26 -2.76 120.40 121.37 2ky9 s VAL 3 Ca 0.59 0.82 0.00 0.00 0.00 0.00 0.00 61.98 63.39 2ky9 s VAL 3 Cb -0.12 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2ky9 s VAL 3 CO 0.38 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2ky9 n GLY 4 N 3.91 0.49 3.74 4.51 0.00 0.71 -5.00 105.19 113.56 2ky9 n GLY 4 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2ky9 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ky9 s SER 5 N -2.01 7.24 -0.20 1.61 0.01 -1.11 -4.64 113.70 114.59 2ky9 s SER 5 Ca 0.00 2.15 -0.16 0.00 1.31 0.00 0.00 55.95 59.24 2ky9 s SER 5 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 2ky9 s SER 5 CO 0.00 -0.23 0.41 -1.10 0.41 0.00 0.00 173.24 172.73 2ky9 s GLN 6 N -0.54 4.17 0.10 12.44 -0.21 -1.26 -1.13 119.66 133.23 2ky9 s GLN 6 Ca 0.49 0.22 0.05 0.00 0.02 0.00 0.00 55.36 56.14 2ky9 s GLN 6 Cb -0.30 -3.54 -0.03 0.00 1.00 0.00 0.00 33.01 30.13 2ky9 s GLN 6 CO 0.36 -0.05 -0.12 0.14 -2.12 0.00 0.00 175.29 173.50 2ky9 s VAL 7 N 1.34 1.10 -0.23 1.09 -7.23 -0.43 -2.42 120.40 113.63 2ky9 s VAL 7 Ca 0.19 -1.55 -0.12 0.00 -1.81 0.00 0.00 61.98 58.69 2ky9 s VAL 7 Cb -0.15 -1.31 -0.05 0.00 0.56 0.00 0.00 36.38 35.44 2ky9 s VAL 7 CO 0.08 -0.41 0.23 -0.63 -0.31 0.00 0.00 175.10 174.05 2ky9 s ILE 8 N -1.98 5.32 -0.15 -0.62 -1.09 0.65 -0.48 121.20 122.85 2ky9 s ILE 8 Ca 0.04 0.33 -0.23 0.00 -2.23 0.00 0.00 60.65 58.57 2ky9 s ILE 8 Cb -0.06 -3.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.23 2ky9 s ILE 8 CO 0.02 0.33 0.70 -0.63 -1.23 0.00 0.00 174.94 174.12 2ky9 s ILE 9 N 1.08 4.99 -0.18 2.92 1.01 -0.79 -0.97 121.20 129.26 2ky9 s ILE 9 Ca 0.11 1.37 -0.17 0.00 0.00 0.00 0.00 60.65 61.96 2ky9 s ILE 9 Cb -0.14 -4.02 -0.06 0.00 0.01 0.00 0.00 42.46 38.25 2ky9 s ILE 9 CO 0.05 0.13 -0.32 0.59 0.00 0.00 0.00 174.94 175.39 2ky9 n ASN 10 N 4.73 1.92 -4.87 3.58 3.02 -0.71 -1.16 115.26 121.78 2ky9 n ASN 10 Ca 0.00 0.37 -0.35 0.00 -0.03 0.00 0.00 54.58 54.57 2ky9 n ASN 10 Cb 0.50 -0.77 -0.05 0.00 -0.61 0.00 0.00 39.78 38.85 2ky9 n ASN 10 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2ky9 s THR 11 N -2.79 5.11 -0.08 3.41 2.01 -0.89 -4.60 115.64 117.81 2ky9 s THR 11 Ca -0.28 0.46 -0.14 0.00 0.31 0.00 0.00 61.69 62.04 2ky9 s THR 11 Cb 0.05 -3.64 0.03 0.00 0.01 0.00 0.00 72.50 68.95 2ky9 s THR 11 CO 0.41 0.32 0.34 -0.94 -0.69 0.00 0.00 174.62 174.07 2ky9 s SER 12 N -1.69 -0.30 0.05 3.53 1.04 -1.26 -4.76 113.70 110.31 2ky9 s SER 12 Ca 0.31 0.44 0.19 0.00 0.48 0.00 0.00 55.95 57.37 2ky9 s SER 12 Cb -0.14 0.54 -0.15 0.00 0.10 0.00 0.00 66.02 66.37 2ky9 s SER 12 CO 0.17 -0.27 0.74 1.41 0.98 0.00 0.00 173.24 176.27 2ky9 n HIS 13 N 2.16 0.76 -3.58 5.02 8.25 -1.26 -4.83 115.22 121.73 2ky9 n HIS 13 Ca -0.17 0.24 -0.37 0.00 -0.26 0.00 0.00 57.72 57.17 2ky9 n HIS 13 Cb 0.57 -0.98 -0.07 0.00 1.12 0.00 0.00 29.99 30.63 2ky9 n HIS 13 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2ky9 s MET 14 N -3.04 4.02 0.19 -0.41 -1.94 -1.26 -5.03 119.30 111.83 2ky9 s MET 14 Ca -0.04 0.15 -0.12 0.00 -1.71 0.00 0.00 55.69 53.97 2ky9 s MET 14 Cb 0.09 -3.33 0.13 0.00 2.01 0.00 0.00 34.83 33.73 2ky9 s MET 14 CO 0.82 0.45 1.84 -0.22 -0.01 0.00 0.00 175.02 177.90 2ky9 h LYS 15 N 5.85 0.73 0.00 2.03 3.64 -2.00 -2.17 116.57 124.65 2ky9 h LYS 15 Ca -0.46 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2ky9 h LYS 15 Cb 1.19 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2ky9 h LYS 15 CO 0.69 0.48 0.00 0.41 -2.27 0.00 0.00 179.45 178.76 2ky9 n GLY 16 N -1.26 -0.81 0.09 5.01 0.00 -1.26 -3.48 105.19 103.47 2ky9 n GLY 16 Ca 0.05 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 45.93 2ky9 n GLY 16 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2ky9 n MET 17 N -1.01 0.63 -2.02 1.61 0.00 -0.82 -0.86 117.12 114.64 2ky9 n MET 17 Ca 0.19 0.16 -0.42 0.00 -0.00 0.00 0.00 57.70 57.63 2ky9 n MET 17 Cb 0.09 -1.77 -0.03 0.00 0.00 0.00 0.00 33.22 31.51 2ky9 n MET 17 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 2ky9 s LYS 18 N -3.00 4.20 0.00 2.12 2.20 -1.23 -2.44 119.74 121.59 2ky9 s LYS 18 Ca -0.03 2.19 0.00 0.00 -0.36 0.00 0.00 55.97 57.76 2ky9 s LYS 18 Cb 0.09 -3.84 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 2ky9 s LYS 18 CO 0.82 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 175.43 2ky9 n GLY 19 N 4.03 0.87 3.79 5.54 0.00 -0.31 -4.88 105.19 114.23 2ky9 n GLY 19 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 2ky9 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ky9 s ALA 20 N -3.44 3.10 -0.59 4.61 0.00 -1.02 -4.78 121.76 119.63 2ky9 s ALA 20 Ca 0.00 0.60 -0.18 0.00 0.00 0.00 0.00 51.96 52.37 2ky9 s ALA 20 Cb 0.00 -3.23 0.11 0.00 0.00 0.00 0.00 23.12 20.01 2ky9 s ALA 20 CO 0.00 -0.05 0.68 -2.00 0.00 0.00 0.00 175.76 174.38 2ky9 s GLU 21 N -2.53 3.06 0.70 0.00 2.12 -1.26 -1.88 118.70 118.90 2ky9 s GLU 21 Ca 0.57 -1.43 -0.02 0.00 0.36 0.00 0.00 54.97 54.45 2ky9 s GLU 21 Cb -0.19 -4.29 0.11 0.00 0.26 0.00 0.00 34.13 30.03 2ky9 s GLU 21 CO 0.24 -1.50 0.97 0.00 -0.54 0.00 0.00 175.26 174.43 2ky9 s ALA 22 N 2.43 3.63 -0.01 6.30 0.00 0.37 -4.63 121.76 129.85 2ky9 s ALA 22 Ca 0.10 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.49 2ky9 s ALA 22 Cb -0.25 -2.09 -0.00 0.00 0.00 0.00 0.00 23.12 20.78 2ky9 s ALA 22 CO 0.05 -1.38 -0.05 0.99 0.00 0.00 0.00 175.76 175.38 2ky9 s THR 23 N -3.12 0.39 -0.10 0.00 2.01 -0.75 -1.31 115.64 112.76 2ky9 s THR 23 Ca 0.65 -0.19 -0.26 0.00 0.31 0.00 0.00 61.69 62.19 2ky9 s THR 23 Cb -0.06 -0.35 -0.02 0.00 0.01 0.00 0.00 72.50 72.08 2ky9 s THR 23 CO 0.44 0.12 0.85 -0.69 -0.69 0.00 0.00 174.62 174.65 2ky9 s VAL 24 N 0.02 4.91 -0.85 3.82 1.01 -0.28 -1.31 120.40 127.72 2ky9 s VAL 24 Ca 0.00 1.73 0.08 0.00 0.00 0.00 0.00 61.98 63.79 2ky9 s VAL 24 Cb -0.04 -4.17 0.03 0.00 0.00 0.00 0.00 36.38 32.20 2ky9 s VAL 24 CO -0.00 0.11 0.66 0.35 0.00 0.00 0.00 175.10 176.21 2ky9 n THR 25 N 4.28 0.00 -3.66 3.92 -2.24 -0.15 -0.21 114.28 116.23 2ky9 n THR 25 Ca 0.04 -0.47 -0.11 0.00 -2.27 0.00 0.00 64.05 61.24 2ky9 n THR 25 Cb 0.50 1.13 -0.08 0.00 -2.10 0.00 0.00 70.33 69.78 2ky9 n THR 25 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ky9 s GLY 26 N -0.86 -0.50 -0.29 3.38 0.00 -1.13 -4.91 107.32 103.01 2ky9 s GLY 26 Ca 0.08 1.93 0.02 0.00 0.00 0.00 0.00 44.72 46.75 2ky9 s GLY 26 CO 0.14 1.79 -0.05 0.00 0.00 0.00 0.00 173.10 174.98 2ky9 s ALA 27 N 0.82 2.69 -0.23 3.20 0.00 -1.26 -1.57 121.76 125.41 2ky9 s ALA 27 Ca -0.04 -1.95 -0.06 0.00 0.00 0.00 0.00 51.96 49.92 2ky9 s ALA 27 Cb -0.05 -1.74 -0.02 0.00 0.00 0.00 0.00 23.12 21.31 2ky9 s ALA 27 CO -0.07 -1.33 0.01 0.71 0.00 0.00 0.00 175.76 175.09 2ky9 s TYR 28 N 1.08 3.02 -0.90 0.00 1.51 -0.65 -5.03 117.35 116.39 2ky9 s TYR 28 Ca -0.04 -0.66 -0.12 0.00 -1.01 0.00 0.00 57.07 55.24 2ky9 s TYR 28 Cb -0.20 -2.17 0.23 0.00 -0.11 0.00 0.00 41.96 39.72 2ky9 s TYR 28 CO -0.05 -0.44 0.85 0.34 -1.11 0.00 0.00 175.55 175.14 2ky9 s ASP 29 N 1.51 6.82 0.30 2.29 2.15 -1.26 -1.40 116.67 127.08 2ky9 s ASP 29 Ca 0.06 -2.99 0.03 0.00 0.43 0.00 0.00 52.55 50.08 2ky9 s ASP 29 Cb -0.15 -2.18 -0.04 0.00 -0.30 0.00 0.00 42.92 40.25 2ky9 s ASP 29 CO 0.00 -0.47 0.18 0.28 -0.17 0.00 0.00 175.17 175.00 2ky9 s THR 30 N -0.30 0.21 -0.13 1.71 -1.32 -1.24 -5.06 115.64 109.50 2ky9 s THR 30 Ca 0.22 -2.00 -0.27 0.00 -1.21 0.00 0.00 61.69 58.43 2ky9 s THR 30 Cb -0.10 -2.50 -0.02 0.00 -1.51 0.00 0.00 72.50 68.37 2ky9 s THR 30 CO -0.09 0.00 0.89 -0.89 -2.21 0.00 0.00 174.62 172.32 2ky9 s THR 31 N -3.64 4.86 -0.18 5.08 2.01 -1.26 -3.43 115.64 119.07 2ky9 s THR 31 Ca 0.37 1.78 0.01 0.00 0.31 0.00 0.00 61.69 64.15 2ky9 s THR 31 Cb 0.05 -4.20 0.02 0.00 0.01 0.00 0.00 72.50 68.37 2ky9 s THR 31 CO 0.19 0.04 -0.18 0.00 -0.69 0.00 0.00 174.62 173.98 2ky9 s ALA 32 N 1.96 2.38 0.20 7.40 0.00 -0.41 -2.42 121.76 130.86 2ky9 s ALA 32 Ca 0.42 -1.20 -0.08 0.00 0.00 0.00 0.00 51.96 51.09 2ky9 s ALA 32 Cb -0.17 -1.23 -0.07 0.00 0.00 0.00 0.00 23.12 21.65 2ky9 s ALA 32 CO 0.15 -0.33 0.50 0.71 0.00 0.00 0.00 175.76 176.78 2ky9 s TYR 33 N 1.27 3.45 -0.38 0.00 2.02 0.31 -1.61 117.35 122.42 2ky9 s TYR 33 Ca 0.04 0.79 -0.13 0.00 -0.37 0.00 0.00 57.07 57.40 2ky9 s TYR 33 Cb -0.13 -2.19 0.01 0.00 -0.40 0.00 0.00 41.96 39.25 2ky9 s TYR 33 CO -0.11 0.33 0.24 0.08 -1.57 0.00 0.00 175.55 174.52 2ky9 s VAL 34 N -1.75 4.96 0.35 0.71 1.01 -0.76 -3.66 120.40 121.26 2ky9 s VAL 34 Ca 0.45 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.89 2ky9 s VAL 34 Cb -0.12 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 2ky9 s VAL 34 CO 0.22 -0.19 0.08 0.68 0.00 0.00 0.00 175.10 175.89 2ky9 s VAL 35 N 1.64 2.71 -0.06 2.92 -7.23 -1.19 -0.64 120.40 118.55 2ky9 s VAL 35 Ca 0.04 -1.84 -0.00 0.00 -1.81 0.00 0.00 61.98 58.37 2ky9 s VAL 35 Cb -0.19 -2.89 0.03 0.00 0.56 0.00 0.00 36.38 33.89 2ky9 s VAL 35 CO 0.09 -0.16 -0.01 -0.94 -0.31 0.00 0.00 175.10 173.76 2ky9 s SER 36 N -3.79 1.24 0.04 4.85 1.04 -0.50 -0.91 113.70 115.67 2ky9 s SER 36 Ca 0.37 -0.08 -0.15 0.00 0.48 0.00 0.00 55.95 56.57 2ky9 s SER 36 Cb -0.00 -0.40 0.02 0.00 0.10 0.00 0.00 66.02 65.74 2ky9 s SER 36 CO 0.21 -0.15 0.33 -0.72 0.98 0.00 0.00 173.24 173.89 2ky9 s TYR 37 N 1.57 -0.14 -0.31 5.02 1.13 -0.57 -0.76 117.35 123.28 2ky9 s TYR 37 Ca -0.01 0.05 -0.10 0.00 -1.41 0.00 0.00 57.07 55.60 2ky9 s TYR 37 Cb -0.13 0.12 -0.00 0.00 -1.10 0.00 0.00 41.96 40.84 2ky9 s TYR 37 CO -0.03 -0.51 0.15 0.99 -2.51 0.00 0.00 175.55 173.64 2ky9 s THR 38 N -2.41 4.57 0.23 -3.49 2.01 -1.25 -0.18 115.64 115.12 2ky9 s THR 38 Ca -0.06 -0.46 -0.32 0.00 0.31 0.00 0.00 61.69 61.17 2ky9 s THR 38 Cb -0.01 -3.34 -0.13 0.00 0.01 0.00 0.00 72.50 69.03 2ky9 s THR 38 CO -0.02 0.05 1.54 -0.81 -0.69 0.00 0.00 174.62 174.69 2ky9 n PRO 39 N 4.98 2.35 0.15 4.92 -0.04 -1.26 -4.33 135.00 141.76 2ky9 n PRO 39 Ca -0.14 0.84 0.11 0.00 -0.04 0.00 0.00 63.50 64.27 2ky9 n PRO 39 Cb 0.49 -2.58 0.54 0.00 -0.04 0.00 0.00 33.50 31.91 2ky9 n PRO 39 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2ky9 n THR 40 N 2.57 0.99 0.28 0.52 -2.24 -0.28 -1.51 114.28 114.62 2ky9 n THR 40 Ca 0.12 0.57 0.17 0.00 -2.27 0.00 0.00 64.05 62.64 2ky9 n THR 40 Cb 0.33 -1.55 0.86 0.00 -2.10 0.00 0.00 70.33 67.87 2ky9 n THR 40 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 2ky9 h ASN 41 N 0.00 0.00 -2.81 3.42 -0.73 -1.76 -3.47 115.58 110.22 2ky9 h ASN 41 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2ky9 h ASN 41 Cb 0.12 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.71 2ky9 h ASN 41 CO 0.00 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.67 2ky9 n GLY 42 N -0.86 0.91 0.00 1.57 0.00 -0.57 -5.08 105.19 101.16 2ky9 n GLY 42 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2ky9 n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ky9 n GLY 43 N -1.40 5.59 3.69 -0.02 0.00 -1.24 -5.09 105.19 106.72 2ky9 n GLY 43 Ca 0.00 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 2ky9 n GLY 43 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ky9 s GLN 44 N 1.77 4.45 -0.23 1.61 -2.07 -1.26 -4.82 119.66 119.11 2ky9 s GLN 44 Ca 0.00 1.30 -0.32 0.00 -1.82 0.00 0.00 55.36 54.52 2ky9 s GLN 44 Cb 0.00 -3.51 -0.09 0.00 -1.09 0.00 0.00 33.01 28.32 2ky9 s GLN 44 CO 0.00 -0.21 2.13 -2.13 -1.32 0.00 0.00 175.29 173.77 2ky9 n ARG 45 N 4.61 1.74 -2.60 9.60 0.63 -1.26 -4.48 116.66 124.89 2ky9 n ARG 45 Ca 0.06 0.53 -0.42 0.00 -0.92 0.00 0.00 57.85 57.10 2ky9 n ARG 45 Cb 0.50 -2.84 -0.03 0.00 0.45 0.00 0.00 32.46 30.54 2ky9 n ARG 45 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2ky9 s VAL 46 N 6.94 3.97 0.08 5.15 1.01 0.75 -4.90 120.40 133.40 2ky9 s VAL 46 Ca 1.02 0.67 0.01 0.00 0.00 0.00 0.00 61.98 63.67 2ky9 s VAL 46 Cb -0.59 -4.77 -0.04 0.00 0.00 0.00 0.00 36.38 30.98 2ky9 s VAL 46 CO 0.44 -1.47 0.19 -1.81 0.00 0.00 0.00 175.10 172.45 2ky9 s ASP 47 N 3.20 6.19 -1.52 3.32 1.01 -1.26 -1.51 116.67 126.09 2ky9 s ASP 47 Ca 0.39 0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.85 2ky9 s ASP 47 Cb -0.08 -1.86 0.00 0.00 1.01 0.00 0.00 42.92 41.99 2ky9 s ASP 47 CO 0.21 0.15 0.00 1.41 0.21 0.00 0.00 175.17 177.16 2ky9 n HIS 48 N 0.20 -1.10 -1.80 4.23 8.25 -0.43 -4.89 115.22 119.69 2ky9 n HIS 48 Ca -0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.98 2ky9 n HIS 48 Cb 0.52 -3.45 -0.03 0.00 1.12 0.00 0.00 29.99 28.15 2ky9 n HIS 48 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2ky9 s HIS 49 N -2.84 2.59 0.00 4.41 5.04 -0.09 -4.73 115.29 119.68 2ky9 s HIS 49 Ca 0.00 0.27 0.03 0.00 -1.54 0.00 0.00 55.06 53.82 2ky9 s HIS 49 Cb 0.00 -4.08 -0.01 0.00 0.04 0.00 0.00 32.58 28.53 2ky9 s HIS 49 CO 0.00 -4.23 -0.10 0.15 -2.34 0.00 0.00 174.74 168.22 2ky9 s LYS 50 N 1.97 0.77 -0.10 2.88 1.02 -1.26 -3.15 119.74 121.87 2ky9 s LYS 50 Ca 0.76 -0.43 0.01 0.00 0.02 0.00 0.00 55.97 56.32 2ky9 s LYS 50 Cb -0.45 -0.73 -0.02 0.00 -0.52 0.00 0.00 37.83 36.10 2ky9 s LYS 50 CO 0.33 0.19 -0.12 -1.58 -0.92 0.00 0.00 175.35 173.26 2ky9 s TRP 51 N -0.41 2.82 0.09 3.18 0.52 -1.26 -4.94 118.94 118.94 2ky9 s TRP 51 Ca 0.02 -0.36 0.08 0.00 0.02 0.00 0.00 56.10 55.87 2ky9 s TRP 51 Cb -0.05 -1.77 -0.04 0.00 -1.15 0.00 0.00 33.47 30.46 2ky9 s TRP 51 CO -0.00 0.01 -0.17 0.14 0.02 0.00 0.00 176.95 176.95 2ky9 s VAL 52 N -0.15 2.90 0.36 4.03 -7.23 -1.24 -4.16 120.40 114.92 2ky9 s VAL 52 Ca 0.00 -1.36 0.08 0.00 -1.81 0.00 0.00 61.98 58.89 2ky9 s VAL 52 Cb -0.13 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 2ky9 s VAL 52 CO 0.03 0.18 0.18 0.27 -0.31 0.00 0.00 175.10 175.45 2ky9 s ILE 53 N -1.08 2.83 0.42 -0.62 -4.36 -1.26 -0.53 121.20 116.60 2ky9 s ILE 53 Ca 0.17 -1.65 0.16 0.00 -0.26 0.00 0.00 60.65 59.07 2ky9 s ILE 53 Cb -0.11 -2.99 0.37 0.00 1.25 0.00 0.00 42.46 40.98 2ky9 s ILE 53 CO 0.09 -0.12 1.88 -0.61 0.24 0.00 0.00 174.94 176.42 2ky9 h GLN 54 N 1.46 0.41 0.00 0.37 4.15 -1.86 -2.04 115.11 117.60 2ky9 h GLN 54 Ca -0.43 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.96 2ky9 h GLN 54 Cb 1.25 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.85 2ky9 h GLN 54 CO 0.64 0.27 0.00 1.49 -1.93 0.00 0.00 178.83 179.30 2ky9 h GLU 55 N 0.42 0.00 -0.07 1.69 4.81 -1.96 -3.03 114.58 116.44 2ky9 h GLU 55 Ca 0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 2ky9 h GLU 55 Cb 1.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.39 2ky9 h GLU 55 CO -0.15 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.52 2ky9 n GLU 56 N -2.88 1.73 -4.63 1.92 1.02 -0.77 -4.81 120.64 112.21 2ky9 n GLU 56 Ca 0.03 -1.07 -0.31 0.00 -0.02 0.00 0.00 57.16 55.79 2ky9 n GLU 56 Cb 0.38 -1.46 -0.17 0.00 -0.02 0.00 0.00 31.44 30.18 2ky9 n GLU 56 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2ky9 s ILE 57 N -1.93 1.89 -0.01 -3.67 1.01 -1.15 -0.75 121.20 116.59 2ky9 s ILE 57 Ca 0.36 -0.88 -0.24 0.00 0.00 0.00 0.00 60.65 59.89 2ky9 s ILE 57 Cb 0.20 -1.68 -0.16 0.00 0.01 0.00 0.00 42.46 40.83 2ky9 s ILE 57 CO 0.31 0.52 1.13 0.07 0.00 0.00 0.00 174.94 176.97 2ky9 h LYS 58 N 7.32 -0.34 0.00 2.79 2.10 -1.69 -3.25 116.57 123.51 2ky9 h LYS 58 Ca -0.31 0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 2ky9 h LYS 58 Cb 1.19 0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2ky9 h LYS 58 CO 0.53 0.01 0.00 -0.25 -2.00 0.00 0.00 179.45 177.75 2ky9 n ASP 59 N -5.07 0.00 -0.01 7.07 8.00 -1.26 -3.00 116.55 122.28 2ky9 n ASP 59 Ca -0.09 -0.04 0.19 0.00 0.71 0.00 0.00 54.79 55.56 2ky9 n ASP 59 Cb 0.26 -0.22 0.67 0.00 -0.02 0.00 0.00 41.12 41.82 2ky9 n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ky9 h ALA 60 N 2.72 2.46 -0.29 2.24 0.00 -1.86 -3.47 119.26 121.07 2ky9 h ALA 60 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2ky9 h ALA 60 Cb 0.10 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2ky9 h ALA 60 CO 0.00 -0.61 -0.11 0.41 0.00 0.00 0.00 179.25 178.94 2ky9 n GLY 61 N -1.63 0.75 2.51 0.00 0.00 -1.16 -1.91 105.19 103.74 2ky9 n GLY 61 Ca 0.10 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 2ky9 n GLY 61 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ky9 n ASP 62 N -0.31 -5.48 -4.63 1.61 8.00 -1.26 -4.99 116.55 109.49 2ky9 n ASP 62 Ca -0.06 0.34 -0.28 0.00 0.71 0.00 0.00 54.79 55.50 2ky9 n ASP 62 Cb 0.35 -4.76 -0.10 0.00 -0.02 0.00 0.00 41.12 36.59 2ky9 n ASP 62 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2ky9 s LYS 63 N -4.14 1.98 -0.46 -1.24 -2.85 -0.80 -5.10 119.74 107.13 2ky9 s LYS 63 Ca 0.00 -2.15 -0.29 0.00 -1.00 0.00 0.00 55.97 52.53 2ky9 s LYS 63 Cb 0.00 -1.57 0.02 0.00 -2.06 0.00 0.00 37.83 34.22 2ky9 s LYS 63 CO 0.00 -0.12 1.29 0.99 0.10 0.00 0.00 175.35 177.62 2ky9 s THR 64 N -2.78 4.01 -0.18 3.79 2.01 -1.26 -4.98 115.64 116.26 2ky9 s THR 64 Ca 0.30 1.01 -0.29 0.00 0.31 0.00 0.00 61.69 63.02 2ky9 s THR 64 Cb 0.08 -4.41 -0.00 0.00 0.01 0.00 0.00 72.50 68.18 2ky9 s THR 64 CO 0.15 -0.93 1.11 -0.76 -0.69 0.00 0.00 174.62 173.50 2ky9 s LEU 65 N 5.09 4.16 0.28 4.42 1.43 -1.26 -5.06 118.68 127.74 2ky9 s LEU 65 Ca 0.54 1.52 -0.11 0.00 -1.03 0.00 0.00 54.13 55.06 2ky9 s LEU 65 Cb -0.10 -3.54 -0.08 0.00 0.03 0.00 0.00 46.19 42.50 2ky9 s LEU 65 CO 0.31 -0.65 0.63 -1.10 0.23 0.00 0.00 176.35 175.77 2ky9 s GLN 66 N 3.01 3.85 -0.15 1.70 -1.52 -1.26 -4.72 119.66 120.57 2ky9 s GLN 66 Ca 0.49 0.40 -0.38 0.00 -1.95 0.00 0.00 55.36 53.91 2ky9 s GLN 66 Cb -0.18 -2.56 -0.15 0.00 -0.22 0.00 0.00 33.01 29.91 2ky9 s GLN 66 CO 0.11 0.23 1.72 -2.30 -0.25 0.00 0.00 175.29 174.81 2ky9 n PRO 67 N -0.36 1.51 0.00 2.91 -0.02 -1.26 -2.17 135.00 135.61 2ky9 n PRO 67 Ca 0.01 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2ky9 n PRO 67 Cb 0.53 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 2ky9 n PRO 67 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ky9 n GLY 68 N 4.00 2.32 3.73 -1.23 0.00 -0.64 -5.02 105.19 108.34 2ky9 n GLY 68 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2ky9 n GLY 68 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ky9 s ASP 69 N -1.67 6.86 -0.27 1.61 1.01 -0.92 -4.78 116.67 118.50 2ky9 s ASP 69 Ca 0.00 2.40 -0.11 0.00 0.71 0.00 0.00 52.55 55.55 2ky9 s ASP 69 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 2ky9 s ASP 69 CO 0.00 -0.57 0.17 -1.58 0.21 0.00 0.00 175.17 173.40 2ky9 s GLN 70 N 0.22 3.97 0.17 8.23 0.74 -1.26 -1.43 119.66 130.30 2ky9 s GLN 70 Ca 0.59 -0.32 0.01 0.00 0.05 0.00 0.00 55.36 55.70 2ky9 s GLN 70 Cb -0.37 -3.61 -0.05 0.00 1.10 0.00 0.00 33.01 30.09 2ky9 s GLN 70 CO 0.36 -0.11 0.03 0.14 -0.55 0.00 0.00 175.29 175.16 2ky9 s VAL 71 N 1.55 0.53 -0.06 1.34 -7.23 -0.12 -5.00 120.40 111.41 2ky9 s VAL 71 Ca 0.07 -1.97 0.03 0.00 -1.81 0.00 0.00 61.98 58.31 2ky9 s VAL 71 Cb -0.15 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.59 2ky9 s VAL 71 CO 0.09 -0.41 -0.16 -0.63 -0.31 0.00 0.00 175.10 173.68 2ky9 s ILE 72 N -3.76 2.92 -0.20 -0.62 -1.09 -1.26 -0.85 121.20 116.34 2ky9 s ILE 72 Ca 0.26 -0.76 -0.24 0.00 -2.23 0.00 0.00 60.65 57.67 2ky9 s ILE 72 Cb 0.07 -2.15 -0.01 0.00 -1.58 0.00 0.00 42.46 38.79 2ky9 s ILE 72 CO 0.05 0.58 0.80 -0.76 -1.23 0.00 0.00 174.94 174.37 2ky9 s LEU 73 N -0.50 4.13 0.20 2.97 1.43 -1.24 -1.98 118.68 123.69 2ky9 s LEU 73 Ca 0.06 1.06 0.23 0.00 -1.03 0.00 0.00 54.13 54.46 2ky9 s LEU 73 Cb -0.12 -3.16 0.23 0.00 0.03 0.00 0.00 46.19 43.17 2ky9 s LEU 73 CO 0.01 -0.43 1.27 -0.33 0.23 0.00 0.00 176.35 177.11 2ky9 h GLU 74 N 7.51 0.00 -6.93 1.70 5.08 -1.28 -1.41 114.58 119.24 2ky9 h GLU 74 Ca -0.27 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.61 2ky9 h GLU 74 Cb 1.12 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.41 2ky9 h GLU 74 CO 0.84 0.00 0.08 0.00 -1.00 0.00 0.00 179.01 178.93 2ky9 s ALA 75 N -3.25 3.45 -0.06 3.43 0.00 -0.95 -4.88 121.76 119.50 2ky9 s ALA 75 Ca 0.04 -0.71 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 2ky9 s ALA 75 Cb 0.11 -2.48 0.04 0.00 0.00 0.00 0.00 23.12 20.79 2ky9 s ALA 75 CO 0.74 -0.51 0.12 0.45 0.00 0.00 0.00 175.76 176.56 2ky9 s SER 76 N -4.20 0.41 0.00 0.00 0.15 -1.26 -3.04 113.70 105.76 2ky9 s SER 76 Ca 0.50 0.25 0.18 0.00 0.70 0.00 0.00 55.95 57.57 2ky9 s SER 76 Cb -0.10 0.14 0.01 0.00 -1.71 0.00 0.00 66.02 64.36 2ky9 s SER 76 CO 0.43 -0.20 0.94 1.41 1.20 0.00 0.00 173.24 177.02 2ky9 n HIS 77 N 4.77 0.00 -3.87 3.44 8.25 -1.26 -4.96 115.22 121.59 2ky9 n HIS 77 Ca -0.15 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.20 2ky9 n HIS 77 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 2ky9 n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ky9 n MET 78 N 0.04 0.88 -1.57 -0.41 0.00 -1.26 -5.09 117.12 109.70 2ky9 n MET 78 Ca 0.08 -2.35 -0.43 0.00 0.00 0.00 0.00 57.70 55.00 2ky9 n MET 78 Cb 0.39 2.57 -0.04 0.00 0.00 0.00 0.00 33.22 36.14 2ky9 n MET 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2ky9 n LYS 79 N -0.52 1.74 -1.52 3.17 4.76 -1.26 -3.19 118.16 121.34 2ky9 n LYS 79 Ca -0.04 0.44 -0.04 0.00 -2.87 0.00 0.00 58.31 55.81 2ky9 n LYS 79 Cb 0.55 -3.16 -0.01 0.00 -1.84 0.00 0.00 35.03 30.58 2ky9 n LYS 79 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ky9 n GLY 80 N 5.91 0.46 0.17 0.72 0.00 -1.26 -4.34 105.19 106.85 2ky9 n GLY 80 Ca 0.32 -0.84 -0.19 0.00 0.00 0.00 0.00 46.02 45.32 2ky9 n GLY 80 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ky9 h MET 81 N 0.00 0.55 -6.37 1.61 -1.53 -1.87 -0.72 114.93 106.60 2ky9 h MET 81 Ca -0.08 -0.59 -0.54 0.00 -3.44 0.00 0.00 59.70 55.05 2ky9 h MET 81 Cb 0.59 0.17 0.01 0.00 -0.55 0.00 0.00 31.60 31.82 2ky9 h MET 81 CO 0.10 1.21 0.97 0.21 0.14 0.00 0.00 176.91 179.54 2ky9 s LYS 82 N -3.25 4.22 0.00 0.39 2.20 -1.17 -2.39 119.74 119.73 2ky9 s LYS 82 Ca -0.12 2.17 0.00 0.00 -0.36 0.00 0.00 55.97 57.66 2ky9 s LYS 82 Cb 0.05 -3.69 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 2ky9 s LYS 82 CO 0.87 -0.71 0.00 0.41 -0.36 0.00 0.00 175.35 175.56 2ky9 n GLY 83 N 3.91 2.93 3.76 5.54 0.00 -0.53 -4.90 105.19 115.90 2ky9 n GLY 83 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2ky9 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ky9 s ALA 84 N -2.72 3.56 -0.37 4.61 0.00 -1.01 -4.83 121.76 121.00 2ky9 s ALA 84 Ca 0.00 1.29 -0.29 0.00 0.00 0.00 0.00 51.96 52.97 2ky9 s ALA 84 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2ky9 s ALA 84 CO 0.00 -0.70 1.48 0.99 0.00 0.00 0.00 175.76 177.53 2ky9 s THR 85 N -0.51 3.84 0.03 0.00 2.01 -1.26 -3.65 115.64 116.10 2ky9 s THR 85 Ca 0.54 0.88 0.01 0.00 0.31 0.00 0.00 61.69 63.44 2ky9 s THR 85 Cb -0.41 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.00 2ky9 s THR 85 CO 0.48 -0.63 0.10 0.00 -0.69 0.00 0.00 174.62 173.88 2ky9 s ALA 86 N 5.52 3.63 -0.06 7.40 0.00 -0.03 -3.78 121.76 134.43 2ky9 s ALA 86 Ca 0.65 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.70 2ky9 s ALA 86 Cb -0.16 -1.56 0.02 0.00 0.00 0.00 0.00 23.12 21.42 2ky9 s ALA 86 CO 0.31 0.73 -0.10 -2.00 0.00 0.00 0.00 175.76 174.70 2ky9 s GLU 87 N -2.06 1.45 -0.33 0.00 -6.30 0.06 -0.95 118.70 110.56 2ky9 s GLU 87 Ca 0.27 -0.32 -0.29 0.00 -2.50 0.00 0.00 54.97 52.13 2ky9 s GLU 87 Cb -0.12 -1.26 -0.00 0.00 0.00 0.00 0.00 34.13 32.75 2ky9 s GLU 87 CO 0.18 -0.02 1.42 0.42 0.02 0.00 0.00 175.26 177.28 2ky9 s ILE 88 N 0.81 3.94 0.01 -3.70 -1.09 -0.51 -1.41 121.20 119.24 2ky9 s ILE 88 Ca -0.12 1.02 -0.18 0.00 -2.23 0.00 0.00 60.65 59.14 2ky9 s ILE 88 Cb -0.15 -4.08 -0.33 0.00 -1.58 0.00 0.00 42.46 36.32 2ky9 s ILE 88 CO 0.02 -0.56 0.99 -0.78 -1.23 0.00 0.00 174.94 173.38 2ky9 h ASP 89 N 10.28 0.74 -5.16 3.58 3.58 -1.20 -1.71 116.42 126.53 2ky9 h ASP 89 Ca -0.28 -0.91 0.11 0.00 0.42 0.00 0.00 57.03 56.36 2ky9 h ASP 89 Cb 1.11 -0.24 -0.05 0.00 1.72 0.00 0.00 39.33 41.87 2ky9 h ASP 89 CO 1.05 1.60 0.37 -0.55 -2.88 0.00 0.00 179.24 178.82 2ky9 s SER 90 N -7.37 -0.16 -0.05 2.28 0.15 -1.10 -4.67 113.70 102.78 2ky9 s SER 90 Ca -0.10 -0.62 -0.02 0.00 0.70 0.00 0.00 55.95 55.90 2ky9 s SER 90 Cb 0.03 0.64 0.03 0.00 -1.71 0.00 0.00 66.02 65.01 2ky9 s SER 90 CO 0.91 -1.20 0.11 0.00 1.20 0.00 0.00 173.24 174.25 2ky9 s ALA 91 N -3.26 -0.17 0.00 5.45 0.00 -1.26 -1.83 121.76 120.69 2ky9 s ALA 91 Ca 0.13 0.50 0.06 0.00 0.00 0.00 0.00 51.96 52.65 2ky9 s ALA 91 Cb -0.04 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 2ky9 s ALA 91 CO 0.06 -0.12 -0.18 -1.21 0.00 0.00 0.00 175.76 174.30 2ky9 s GLU 92 N 0.91 1.42 -0.67 0.00 0.41 -0.63 -5.02 118.70 115.12 2ky9 s GLU 92 Ca -0.07 -0.73 -0.15 0.00 -0.41 0.00 0.00 54.97 53.62 2ky9 s GLU 92 Cb -0.10 -1.41 0.17 0.00 -1.78 0.00 0.00 34.13 31.01 2ky9 s GLU 92 CO -0.04 0.38 0.61 0.15 -0.49 0.00 0.00 175.26 175.87 2ky9 s LYS 93 N -0.65 3.24 0.06 1.61 3.01 -1.26 -1.29 119.74 124.46 2ky9 s LYS 93 Ca 0.07 -2.07 0.02 0.00 -1.01 0.00 0.00 55.97 52.98 2ky9 s LYS 93 Cb -0.07 -4.33 -0.03 0.00 -1.01 0.00 0.00 37.83 32.38 2ky9 s LYS 93 CO -0.00 -1.30 -0.07 -0.08 0.51 0.00 0.00 175.35 174.41 2ky9 s THR 94 N 0.91 0.56 -0.12 2.17 -1.32 -1.22 -5.05 115.64 111.57 2ky9 s THR 94 Ca 0.10 -1.47 -0.30 0.00 -1.21 0.00 0.00 61.69 58.81 2ky9 s THR 94 Cb -0.21 -1.09 -0.01 0.00 -1.51 0.00 0.00 72.50 69.67 2ky9 s THR 94 CO -0.03 -0.63 1.09 0.42 -2.21 0.00 0.00 174.62 173.26 2ky9 s THR 95 N -2.48 4.58 -0.09 5.08 -4.23 -1.26 -3.72 115.64 113.51 2ky9 s THR 95 Ca -0.00 1.87 0.03 0.00 -1.18 0.00 0.00 61.69 62.41 2ky9 s THR 95 Cb -0.02 -4.20 -0.01 0.00 1.34 0.00 0.00 72.50 69.60 2ky9 s THR 95 CO -0.03 -0.04 -0.19 0.68 -0.54 0.00 0.00 174.62 174.51 2ky9 s VAL 96 N 2.38 2.59 0.16 2.29 -7.23 -0.49 -2.44 120.40 117.66 2ky9 s VAL 96 Ca 0.50 -0.85 0.09 0.00 -1.81 0.00 0.00 61.98 59.91 2ky9 s VAL 96 Cb -0.20 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 2ky9 s VAL 96 CO 0.17 0.55 -0.13 -0.31 -0.31 0.00 0.00 175.10 175.08 2ky9 s TYR 97 N 0.04 2.60 -0.37 2.82 1.51 0.07 -1.63 117.35 122.38 2ky9 s TYR 97 Ca -0.07 -0.23 -0.14 0.00 -1.01 0.00 0.00 57.07 55.62 2ky9 s TYR 97 Cb -0.15 -1.31 0.00 0.00 -0.11 0.00 0.00 41.96 40.40 2ky9 s TYR 97 CO 0.05 0.47 0.26 1.41 -1.11 0.00 0.00 175.55 176.63 2ky9 s MET 98 N -2.58 3.18 0.15 -0.62 -2.45 -0.61 -3.45 119.30 112.92 2ky9 s MET 98 Ca 0.22 -0.86 0.11 0.00 -1.25 0.00 0.00 55.69 53.91 2ky9 s MET 98 Cb -0.09 -3.87 -0.04 0.00 1.25 0.00 0.00 34.83 32.07 2ky9 s MET 98 CO 0.13 -0.61 -0.25 0.14 1.05 0.00 0.00 175.02 175.49 2ky9 s VAL 99 N 1.68 2.20 -0.21 10.11 -7.23 -1.08 -0.98 120.40 124.89 2ky9 s VAL 99 Ca 0.05 -1.84 0.01 0.00 -1.81 0.00 0.00 61.98 58.39 2ky9 s VAL 99 Cb -0.18 -1.98 0.03 0.00 0.56 0.00 0.00 36.38 34.80 2ky9 s VAL 99 CO 0.10 -0.03 -0.15 -1.81 -0.31 0.00 0.00 175.10 172.90 2ky9 s ASP 100 N -2.30 3.68 0.31 4.85 1.11 -0.42 -1.00 116.67 122.91 2ky9 s ASP 100 Ca 0.16 -0.83 0.04 0.00 0.18 0.00 0.00 52.55 52.10 2ky9 s ASP 100 Cb -0.09 -1.54 -0.03 0.00 1.07 0.00 0.00 42.92 42.32 2ky9 s ASP 100 CO 0.07 -0.06 0.19 -0.72 1.18 0.00 0.00 175.17 175.83 2ky9 s TYR 101 N 1.27 1.61 -0.19 4.23 1.13 -0.29 -1.81 117.35 123.31 2ky9 s TYR 101 Ca 0.01 -1.45 -0.05 0.00 -1.41 0.00 0.00 57.07 54.17 2ky9 s TYR 101 Cb -0.15 -0.81 -0.03 0.00 -1.10 0.00 0.00 41.96 39.87 2ky9 s TYR 101 CO -0.09 -0.61 0.01 0.99 -2.51 0.00 0.00 175.55 173.33 2ky9 s THR 102 N -3.58 4.11 -0.28 -3.49 2.01 -1.26 -1.06 115.64 112.08 2ky9 s THR 102 Ca 0.36 -0.26 -0.28 0.00 0.31 0.00 0.00 61.69 61.82 2ky9 s THR 102 Cb 0.04 -2.85 -0.05 0.00 0.01 0.00 0.00 72.50 69.65 2ky9 s THR 102 CO 0.19 0.44 2.22 -0.55 -0.69 0.00 0.00 174.62 176.23 2ky9 s SER 103 N 0.83 5.29 0.61 3.53 0.15 -0.33 -4.80 113.70 118.97 2ky9 s SER 103 Ca 0.01 1.67 0.32 0.00 0.70 0.00 0.00 55.95 58.65 2ky9 s SER 103 Cb -0.14 -2.51 1.88 0.00 -1.71 0.00 0.00 66.02 63.53 2ky9 s SER 103 CO 0.02 -2.12 2.22 0.71 1.20 0.00 0.00 173.24 175.27 2ky9 h THR 104 N 7.23 0.41 0.00 6.45 1.35 -1.34 0.53 112.91 127.54 2ky9 h THR 104 Ca -0.37 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 2ky9 h THR 104 Cb 1.24 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 2ky9 h THR 104 CO 1.01 0.00 -0.40 0.71 -0.25 0.00 0.00 175.52 176.59 2ky9 h THR 105 N 0.00 0.00 0.14 6.82 1.35 -1.88 -3.43 112.91 115.91 2ky9 h THR 105 Ca 0.02 -1.00 -0.32 0.00 -0.55 0.00 0.00 66.41 64.56 2ky9 h THR 105 Cb 0.16 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 66.58 2ky9 h THR 105 CO -0.00 0.00 -1.60 0.77 -0.25 0.00 0.00 175.52 174.44 2ky9 h SER 106 N -1.00 0.48 0.00 5.36 4.64 -1.94 -3.49 113.55 117.61 2ky9 h SER 106 Ca 0.00 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 60.65 2ky9 h SER 106 Cb 0.40 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2ky9 h SER 106 CO 0.00 1.56 0.00 0.61 -0.87 0.00 0.00 176.83 178.13 2ky9 n GLY 107 N 1.73 0.47 3.71 -0.77 0.00 0.18 -5.05 105.19 105.44 2ky9 n GLY 107 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2ky9 n GLY 107 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ky9 s GLU 108 N -0.90 4.27 -0.77 1.61 2.12 -1.26 -4.63 118.70 119.14 2ky9 s GLU 108 Ca 0.00 2.15 -0.26 0.00 0.36 0.00 0.00 54.97 57.23 2ky9 s GLU 108 Cb 0.00 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 31.05 2ky9 s GLU 108 CO 0.00 -0.55 1.58 0.15 -0.54 0.00 0.00 175.26 175.90 2ky9 s LYS 109 N 1.61 3.00 -0.36 4.30 -0.14 -1.26 -1.19 119.74 125.70 2ky9 s LYS 109 Ca 0.67 -0.15 -0.19 0.00 -1.36 0.00 0.00 55.97 54.94 2ky9 s LYS 109 Cb -0.38 -4.57 0.00 0.00 -1.68 0.00 0.00 37.83 31.20 2ky9 s LYS 109 CO 0.30 -2.51 0.56 0.08 -0.76 0.00 0.00 175.35 173.02 2ky9 s VAL 110 N 7.21 4.97 0.02 3.17 1.01 -0.23 -5.00 120.40 131.55 2ky9 s VAL 110 Ca 0.51 0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.93 2ky9 s VAL 110 Cb -0.08 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 2ky9 s VAL 110 CO 0.10 -0.27 -0.09 -1.59 0.00 0.00 0.00 175.10 173.25 2ky9 s LYS 111 N 2.51 2.44 -1.46 2.72 0.00 -1.26 -1.13 119.74 123.55 2ky9 s LYS 111 Ca 0.21 -0.79 -0.08 0.00 0.00 0.00 0.00 55.97 55.30 2ky9 s LYS 111 Cb -0.15 -2.43 0.04 0.00 0.00 0.00 0.00 37.83 35.29 2ky9 s LYS 111 CO 0.14 0.58 0.75 0.09 0.00 0.00 0.00 175.35 176.91 2ky9 n ASN 112 N 1.50 -5.40 -4.76 0.03 5.03 -1.15 -4.95 115.26 105.55 2ky9 n ASN 112 Ca -0.15 -0.44 -0.41 0.00 0.87 0.00 0.00 54.58 54.45 2ky9 n ASN 112 Cb 0.52 -4.35 -0.02 0.00 -1.02 0.00 0.00 39.78 34.92 2ky9 n ASN 112 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 2ky9 s HIS 113 N -3.17 2.92 0.01 3.10 2.46 -0.17 -4.73 115.29 115.72 2ky9 s HIS 113 Ca 0.44 1.18 0.01 0.00 0.47 0.00 0.00 55.06 57.16 2ky9 s HIS 113 Cb -0.21 -3.83 -0.01 0.00 -0.13 0.00 0.00 32.58 28.40 2ky9 s HIS 113 CO 0.54 -2.50 -0.03 0.15 -2.47 0.00 0.00 174.74 170.44 2ky9 s LYS 114 N -1.28 0.22 -0.03 2.88 1.02 -1.26 -2.65 119.74 118.65 2ky9 s LYS 114 Ca 0.54 -0.30 0.02 0.00 0.02 0.00 0.00 55.97 56.25 2ky9 s LYS 114 Cb -0.42 -0.07 -0.03 0.00 -0.52 0.00 0.00 37.83 36.79 2ky9 s LYS 114 CO 0.51 0.01 -0.06 -1.58 -0.92 0.00 0.00 175.35 173.32 2ky9 s TRP 115 N -0.62 2.94 0.19 3.18 0.52 -1.26 -4.98 118.94 118.91 2ky9 s TRP 115 Ca -0.06 0.01 0.10 0.00 0.02 0.00 0.00 56.10 56.17 2ky9 s TRP 115 Cb -0.05 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.57 2ky9 s TRP 115 CO -0.00 0.37 -0.15 0.14 0.02 0.00 0.00 176.95 177.33 2ky9 s VAL 116 N -0.94 2.87 0.55 4.03 -7.23 -1.22 -4.12 120.40 114.34 2ky9 s VAL 116 Ca 0.16 -1.81 0.09 0.00 -1.81 0.00 0.00 61.98 58.61 2ky9 s VAL 116 Cb -0.11 -2.41 0.07 0.00 0.56 0.00 0.00 36.38 34.50 2ky9 s VAL 116 CO 0.05 -0.12 0.73 0.42 -0.31 0.00 0.00 175.10 175.88 2ky9 s THR 117 N -1.70 2.21 0.10 5.32 -4.23 -1.26 -0.75 115.64 115.32 2ky9 s THR 117 Ca 0.23 -1.04 -0.15 0.00 -1.18 0.00 0.00 61.69 59.55 2ky9 s THR 117 Cb -0.08 -2.25 -0.08 0.00 1.34 0.00 0.00 72.50 71.42 2ky9 s THR 117 CO 0.13 0.00 1.43 -0.08 -0.54 0.00 0.00 174.62 175.56 2ky9 h GLU 118 N 0.28 0.66 0.00 3.99 4.81 -1.85 -3.00 114.58 119.47 2ky9 h GLU 118 Ca -0.32 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.59 2ky9 h GLU 118 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2ky9 h GLU 118 CO 0.43 0.93 0.00 -3.47 -0.73 0.00 0.00 179.01 176.17 2ky9 n ASP 119 N -4.32 0.72 0.22 1.04 2.03 -1.26 -1.93 116.55 113.04 2ky9 n ASP 119 Ca -0.04 0.67 0.11 0.00 0.52 0.00 0.00 54.79 56.05 2ky9 n ASP 119 Cb 0.43 -0.83 0.31 0.00 -0.72 0.00 0.00 41.12 40.32 2ky9 n ASP 119 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2ky9 h GLU 120 N 0.00 0.00 -5.40 -0.67 4.81 -1.86 -3.44 114.58 108.02 2ky9 h GLU 120 Ca 0.00 0.00 -0.65 0.00 -0.13 0.00 0.00 59.36 58.58 2ky9 h GLU 120 Cb 0.39 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.66 2ky9 h GLU 120 CO 0.00 0.15 -0.46 -0.51 -0.73 0.00 0.00 179.01 177.46 2ky9 s LEU 121 N -6.38 2.40 -0.03 1.64 1.43 -0.81 -1.73 118.68 115.20 2ky9 s LEU 121 Ca 0.04 -1.54 -0.24 0.00 -1.03 0.00 0.00 54.13 51.36 2ky9 s LEU 121 Cb 0.07 -0.86 0.05 0.00 0.03 0.00 0.00 46.19 45.48 2ky9 s LEU 121 CO 0.65 -0.92 0.51 -0.44 0.23 0.00 0.00 176.35 176.38 2ky9 s SER 122 N -3.99 -0.44 0.85 2.29 0.01 -0.15 -4.77 113.70 107.50 2ky9 s SER 122 Ca 0.13 0.41 -0.11 0.00 1.31 0.00 0.00 55.95 57.69 2ky9 s SER 122 Cb 0.00 0.44 0.10 0.00 0.21 0.00 0.00 66.02 66.78 2ky9 s SER 122 CO 0.08 -0.55 1.09 0.00 0.41 0.00 0.00 173.24 174.27 2ky9 s ALA 123 N -1.35 1.84 0.38 1.44 0.00 -1.26 -0.25 121.76 122.56 2ky9 s ALA 123 Ca -0.12 -0.04 -0.26 0.00 0.00 0.00 0.00 51.96 51.55 2ky9 s ALA 123 Cb -0.02 -3.19 -0.09 0.00 0.00 0.00 0.00 23.12 19.82 2ky9 s ALA 123 CO 0.07 -2.10 1.22 0.21 0.00 0.00 0.00 175.76 175.16 2ky9 s LYS 124 N -4.98 4.11 -1.35 0.00 2.47 -1.01 -3.65 119.74 115.32 2ky9 s LYS 124 Ca 0.62 1.98 0.00 0.00 -1.56 0.00 0.00 55.97 57.01 2ky9 s LYS 124 Cb -0.17 -2.79 0.00 0.00 -1.46 0.00 0.00 37.83 33.41 2ky9 s LYS 124 CO 0.56 -0.32 0.00 1.28 0.16 0.00 0.00 175.35 177.03 2ky9 n LEU 125 N 0.26 -1.59 0.00 5.43 4.77 -1.26 -5.03 117.00 119.58 2ky9 n LEU 125 Ca 0.03 0.05 -0.23 0.00 -0.03 0.00 0.00 56.01 55.83 2ky9 n LEU 125 Cb 0.45 -2.26 0.18 0.00 -2.33 0.00 0.00 43.42 39.45 2ky9 n LEU 125 CO 0.54 -0.27 0.61 -0.62 -1.33 0.00 0.00 177.39 176.32 2ky9 n GLU 126 N -2.47 -1.74 -1.85 3.23 -0.58 -1.24 -5.01 120.64 110.98 2ky9 n GLU 126 Ca -0.18 -1.53 -0.39 0.00 -0.42 0.00 0.00 57.16 54.64 2ky9 n GLU 126 Cb 0.61 -1.18 0.02 0.00 -0.57 0.00 0.00 31.44 30.33 2ky9 n GLU 126 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2ky9 s HIS 127 N -3.00 2.48 -0.88 -0.32 3.76 -1.26 -4.97 115.29 111.10 2ky9 s HIS 127 Ca 0.58 1.32 -0.14 0.00 -0.15 0.00 0.00 55.06 56.67 2ky9 s HIS 127 Cb -0.03 -3.84 0.21 0.00 1.11 0.00 0.00 32.58 30.03 2ky9 s HIS 127 CO 0.42 -2.77 0.87 -1.01 -0.85 0.00 0.00 174.74 171.41 2ky9 s HIS 128 N -1.24 3.72 -0.60 1.40 3.76 -1.26 -5.00 115.29 116.07 2ky9 s HIS 128 Ca 0.63 -1.98 -0.08 0.00 -0.15 0.00 0.00 55.06 53.48 2ky9 s HIS 128 Cb -0.42 -3.90 0.16 0.00 1.11 0.00 0.00 32.58 29.52 2ky9 s HIS 128 CO 0.53 -1.07 0.46 -1.01 -0.85 0.00 0.00 174.74 172.80 2ky9 s HIS 129 N 0.43 3.50 0.17 1.40 3.76 -1.26 -5.09 115.29 118.20 2ky9 s HIS 129 Ca 0.22 -2.23 -0.30 0.00 -0.15 0.00 0.00 55.06 52.59 2ky9 s HIS 129 Cb -0.09 -3.45 -0.08 0.00 1.11 0.00 0.00 32.58 30.07 2ky9 s HIS 129 CO -0.09 -0.94 1.32 -3.38 -0.85 0.00 0.00 174.74 170.80 2ky9 s HIS 130 N 0.58 3.28 -0.05 1.40 -3.43 -1.26 -5.06 115.29 110.75 2ky9 s HIS 130 Ca 0.12 1.17 -0.06 0.00 -0.80 0.00 0.00 55.06 55.49 2ky9 s HIS 130 Cb -0.20 -3.60 0.01 0.00 -1.43 0.00 0.00 32.58 27.36 2ky9 s HIS 130 CO -0.04 -1.94 0.16 -1.01 -2.00 0.00 0.00 174.74 169.92 2ky9 s HIS 131 N 0.43 -0.12 -2.00 0.38 3.76 -1.26 -5.35 115.29 111.13 2ky9 s HIS 131 Ca 0.59 0.29 0.20 0.00 -0.15 0.00 0.00 55.06 55.99 2ky9 s HIS 131 Cb -0.36 0.03 1.20 0.00 1.11 0.00 0.00 32.58 34.56 2ky9 s HIS 131 CO 0.35 -0.14 1.58 -2.39 -0.85 0.00 0.00 174.74 173.30