#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 2.90 -0.00 0.03 2.20 -1.26 -5.01 119.74 118.60 2ky9 s LYS 2 Ca 0.00 -0.99 -0.30 0.00 -0.36 0.00 0.00 55.97 54.32 2ky9 s LYS 2 Cb 0.00 -2.59 -0.06 0.00 -1.51 0.00 0.00 37.83 33.67 2ky9 s LYS 2 CO 0.00 0.43 1.60 0.08 -0.36 0.00 0.00 175.35 177.10 2ky9 s VAL 3 N -1.98 3.42 0.00 4.02 1.01 -1.26 -2.22 120.40 123.39 2ky9 s VAL 3 Ca 0.32 0.71 0.00 0.00 0.00 0.00 0.00 61.98 63.01 2ky9 s VAL 3 Cb -0.09 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.84 2ky9 s VAL 3 CO 0.24 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.92 2ky9 n GLY 4 N 3.99 0.39 3.70 4.51 0.00 -0.04 -5.04 105.19 112.70 2ky9 n GLY 4 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.15 7.09 -0.30 1.61 0.01 -0.94 -4.81 113.70 114.21 2ky9 s SER 5 Ca 0.00 1.91 -0.24 0.00 1.31 0.00 0.00 55.95 58.93 2ky9 s SER 5 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2ky9 s SER 5 CO 0.00 -0.50 0.83 -1.10 0.41 0.00 0.00 173.24 172.88 2ky9 s GLN 6 N 1.51 4.01 0.11 12.44 1.11 -1.26 -1.11 119.66 136.47 2ky9 s GLN 6 Ca 0.57 0.71 0.08 0.00 0.01 0.00 0.00 55.36 56.73 2ky9 s GLN 6 Cb -0.27 -3.71 -0.04 0.00 -1.01 0.00 0.00 33.01 27.98 2ky9 s GLN 6 CO 0.26 -0.68 -0.20 0.14 0.01 0.00 0.00 175.29 174.82 2ky9 s VAL 7 N 3.02 1.73 -0.20 1.09 -7.23 -0.27 -1.13 120.40 117.40 2ky9 s VAL 7 Ca 0.34 -1.60 -0.11 0.00 -1.81 0.00 0.00 61.98 58.80 2ky9 s VAL 7 Cb -0.14 -1.60 -0.05 0.00 0.56 0.00 0.00 36.38 35.15 2ky9 s VAL 7 CO 0.12 -0.10 0.19 -0.63 -0.31 0.00 0.00 175.10 174.37 2ky9 s ILE 8 N -1.30 5.36 -0.33 -0.62 -1.09 0.39 -0.39 121.20 123.22 2ky9 s ILE 8 Ca 0.08 0.30 -0.20 0.00 -2.23 0.00 0.00 60.65 58.61 2ky9 s ILE 8 Cb -0.09 -3.53 -0.00 0.00 -1.58 0.00 0.00 42.46 37.25 2ky9 s ILE 8 CO 0.05 0.39 0.59 -0.63 -1.23 0.00 0.00 174.94 174.11 2ky9 s ILE 9 N 0.61 4.95 -0.13 2.92 1.01 -0.66 -0.84 121.20 129.06 2ky9 s ILE 9 Ca 0.11 0.62 0.19 0.00 0.00 0.00 0.00 60.65 61.56 2ky9 s ILE 9 Cb -0.12 -4.01 -0.17 0.00 0.01 0.00 0.00 42.46 38.17 2ky9 s ILE 9 CO 0.01 -0.21 0.68 -0.46 0.00 0.00 0.00 174.94 174.97 2ky9 n ASN 10 N 5.88 0.58 -4.59 3.58 0.23 -0.74 -1.15 115.26 119.04 2ky9 n ASN 10 Ca -0.02 0.25 -0.33 0.00 -0.53 0.00 0.00 54.58 53.95 2ky9 n ASN 10 Cb 0.49 0.66 -0.11 0.00 -2.08 0.00 0.00 39.78 38.74 2ky9 n ASN 10 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2ky9 s THR 11 N -3.04 3.69 -0.15 5.53 2.01 -1.20 -4.69 115.64 117.79 2ky9 s THR 11 Ca -0.05 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.31 2ky9 s THR 11 Cb 0.09 -2.57 0.02 0.00 0.01 0.00 0.00 72.50 70.06 2ky9 s THR 11 CO 0.83 0.47 -0.15 -0.94 -0.69 0.00 0.00 174.62 174.14 2ky9 s SER 12 N -1.18 2.76 -0.06 3.53 1.04 -1.26 -4.68 113.70 113.84 2ky9 s SER 12 Ca 0.15 -0.52 -0.14 0.00 0.48 0.00 0.00 55.95 55.93 2ky9 s SER 12 Cb -0.11 -1.24 -0.30 0.00 0.10 0.00 0.00 66.02 64.47 2ky9 s SER 12 CO 0.05 -0.04 0.67 0.45 0.98 0.00 0.00 173.24 175.35 2ky9 h HIS 13 N 8.00 0.63 -2.86 5.02 3.86 -1.95 -3.45 115.15 124.40 2ky9 h HIS 13 Ca -0.39 -0.46 -0.65 0.00 -1.16 0.00 0.00 60.37 57.71 2ky9 h HIS 13 Cb 1.14 -0.03 -0.09 0.00 1.06 0.00 0.00 27.41 29.49 2ky9 h HIS 13 CO 0.47 1.60 -0.50 -1.64 0.86 0.00 0.00 177.93 178.72 2ky9 s MET 14 N -2.53 3.60 0.47 2.45 -1.94 -1.26 -5.03 119.30 115.06 2ky9 s MET 14 Ca -0.17 -0.18 0.13 0.00 -1.71 0.00 0.00 55.69 53.76 2ky9 s MET 14 Cb 0.05 -3.22 1.10 0.00 2.01 0.00 0.00 34.83 34.77 2ky9 s MET 14 CO 0.83 0.64 2.09 1.57 -0.01 0.00 0.00 175.02 180.14 2ky9 h LYS 15 N 5.46 0.16 0.00 2.03 2.10 -2.00 -1.25 116.57 123.07 2ky9 h LYS 15 Ca -0.51 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 2ky9 h LYS 15 Cb 1.21 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 2ky9 h LYS 15 CO 0.62 0.14 0.00 0.41 -2.00 0.00 0.00 179.45 178.62 2ky9 n GLY 16 N -1.43 -0.90 0.01 0.07 0.00 -1.26 -3.21 105.19 98.47 2ky9 n GLY 16 Ca -0.01 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.97 0.36 -1.94 1.61 0.00 -0.47 -1.33 117.12 114.37 2ky9 n MET 17 Ca 0.20 -0.09 -0.43 0.00 0.00 0.00 0.00 57.70 57.39 2ky9 n MET 17 Cb 0.09 -1.53 -0.03 0.00 0.00 0.00 0.00 33.22 31.76 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 -3.28 3.91 0.00 2.12 2.47 -1.20 -2.46 119.74 121.31 2ky9 s LYS 18 Ca -0.00 2.05 0.00 0.00 -1.56 0.00 0.00 55.97 56.46 2ky9 s LYS 18 Cb 0.15 -4.08 0.00 0.00 -1.46 0.00 0.00 37.83 32.44 2ky9 s LYS 18 CO 0.88 -1.18 0.00 0.41 0.16 0.00 0.00 175.35 175.62 2ky9 n GLY 19 N 4.59 0.69 3.78 5.54 0.00 -0.30 -4.81 105.19 114.67 2ky9 n GLY 19 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.96 3.05 -0.03 4.61 0.00 -1.03 -4.75 121.76 120.65 2ky9 s ALA 20 Ca 0.00 0.73 -0.25 0.00 0.00 0.00 0.00 51.96 52.44 2ky9 s ALA 20 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 2ky9 s ALA 20 CO 0.00 -0.29 0.76 -1.21 0.00 0.00 0.00 175.76 175.02 2ky9 s GLU 21 N -2.58 4.47 0.24 0.00 2.02 -1.26 -1.65 118.70 119.93 2ky9 s GLU 21 Ca 0.59 1.00 -0.01 0.00 0.02 0.00 0.00 54.97 56.58 2ky9 s GLU 21 Cb -0.23 -3.43 -0.03 0.00 0.10 0.00 0.00 34.13 30.55 2ky9 s GLU 21 CO 0.28 0.11 0.21 0.00 0.02 0.00 0.00 175.26 175.88 2ky9 s ALA 22 N 0.60 1.13 -0.01 5.21 0.00 0.47 -2.94 121.76 126.22 2ky9 s ALA 22 Ca 0.40 -1.68 -0.01 0.00 0.00 0.00 0.00 51.96 50.67 2ky9 s ALA 22 Cb -0.19 1.36 0.01 0.00 0.00 0.00 0.00 23.12 24.30 2ky9 s ALA 22 CO 0.21 -0.64 0.03 0.99 0.00 0.00 0.00 175.76 176.35 2ky9 s THR 23 N -3.96 -0.01 -0.40 0.00 2.01 -0.68 -1.12 115.64 111.48 2ky9 s THR 23 Ca 0.37 0.04 -0.28 0.00 0.31 0.00 0.00 61.69 62.13 2ky9 s THR 23 Cb 0.05 -0.06 0.02 0.00 0.01 0.00 0.00 72.50 72.52 2ky9 s THR 23 CO 0.15 0.02 1.04 -0.69 -0.69 0.00 0.00 174.62 174.44 2ky9 s VAL 24 N 0.21 4.42 -1.99 3.82 1.01 -0.27 -1.23 120.40 126.37 2ky9 s VAL 24 Ca -0.02 1.29 0.23 0.00 0.00 0.00 0.00 61.98 63.48 2ky9 s VAL 24 Cb -0.02 -4.46 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 2ky9 s VAL 24 CO -0.01 -0.72 1.10 0.35 0.00 0.00 0.00 175.10 175.83 2ky9 n THR 25 N 6.30 0.00 -3.55 3.92 -2.24 0.36 -0.86 114.28 118.21 2ky9 n THR 25 Ca 0.10 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.49 2ky9 n THR 25 Cb 0.48 1.21 -0.06 0.00 -2.10 0.00 0.00 70.33 69.87 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 -2.50 -0.44 -0.12 3.38 0.00 -1.09 -4.93 107.32 101.61 2ky9 s GLY 26 Ca 0.18 1.66 -0.03 0.00 0.00 0.00 0.00 44.72 46.53 2ky9 s GLY 26 CO 0.58 1.02 0.05 0.00 0.00 0.00 0.00 173.10 174.76 2ky9 s ALA 27 N -1.10 0.57 -0.28 3.20 0.00 -1.26 -1.35 121.76 121.55 2ky9 s ALA 27 Ca -0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 2ky9 s ALA 27 Cb -0.00 -0.91 0.04 0.00 0.00 0.00 0.00 23.12 22.25 2ky9 s ALA 27 CO 0.06 -0.86 -0.03 0.71 0.00 0.00 0.00 175.76 175.63 2ky9 s TYR 28 N 2.04 3.19 -1.19 0.00 1.51 -0.25 -4.98 117.35 117.68 2ky9 s TYR 28 Ca 0.03 -1.80 -0.13 0.00 -1.01 0.00 0.00 57.07 54.16 2ky9 s TYR 28 Cb -0.15 -2.07 0.18 0.00 -0.11 0.00 0.00 41.96 39.82 2ky9 s TYR 28 CO -0.07 -0.78 1.39 0.16 -1.11 0.00 0.00 175.55 175.14 2ky9 s ASP 29 N 1.26 7.10 0.33 2.29 -4.77 -1.26 -0.94 116.67 120.69 2ky9 s ASP 29 Ca -0.04 -3.07 0.03 0.00 -3.30 0.00 0.00 52.55 46.18 2ky9 s ASP 29 Cb -0.19 -2.38 -0.04 0.00 -1.09 0.00 0.00 42.92 39.23 2ky9 s ASP 29 CO -0.03 -0.69 0.14 0.28 0.70 0.00 0.00 175.17 175.57 2ky9 s THR 30 N 1.23 0.49 -0.25 2.11 -1.32 -1.22 -4.98 115.64 111.71 2ky9 s THR 30 Ca 0.41 -2.00 -0.27 0.00 -1.21 0.00 0.00 61.69 58.62 2ky9 s THR 30 Cb -0.04 -2.51 0.00 0.00 -1.51 0.00 0.00 72.50 68.44 2ky9 s THR 30 CO -0.01 0.00 0.94 -0.89 -2.21 0.00 0.00 174.62 172.45 2ky9 s THR 31 N -3.48 4.74 0.30 5.08 2.01 -1.26 -2.30 115.64 120.72 2ky9 s THR 31 Ca 0.33 1.76 0.07 0.00 0.31 0.00 0.00 61.69 64.16 2ky9 s THR 31 Cb 0.05 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 2ky9 s THR 31 CO 0.17 -0.16 0.25 0.00 -0.69 0.00 0.00 174.62 174.18 2ky9 s ALA 32 N 3.07 3.72 0.02 7.40 0.00 0.33 -2.78 121.76 133.53 2ky9 s ALA 32 Ca 0.40 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.82 2ky9 s ALA 32 Cb -0.15 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.71 2ky9 s ALA 32 CO 0.08 0.12 -0.03 0.71 0.00 0.00 0.00 175.76 176.64 2ky9 s TYR 33 N -2.22 0.28 -0.26 0.00 2.02 0.63 -1.74 117.35 116.06 2ky9 s TYR 33 Ca 0.37 -0.48 -0.10 0.00 -0.37 0.00 0.00 57.07 56.50 2ky9 s TYR 33 Cb -0.07 -0.20 -0.04 0.00 -0.40 0.00 0.00 41.96 41.25 2ky9 s TYR 33 CO 0.26 -0.16 0.15 0.08 -1.57 0.00 0.00 175.55 174.30 2ky9 s VAL 34 N -1.31 5.01 0.12 0.71 1.01 -0.60 -2.94 120.40 122.41 2ky9 s VAL 34 Ca -0.14 0.07 0.09 0.00 0.00 0.00 0.00 61.98 61.99 2ky9 s VAL 34 Cb -0.09 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2ky9 s VAL 34 CO -0.01 0.30 -0.21 0.68 0.00 0.00 0.00 175.10 175.86 2ky9 s VAL 35 N 1.56 1.82 -0.14 2.92 -7.23 -1.00 -0.28 120.40 118.06 2ky9 s VAL 35 Ca 0.07 -1.67 0.02 0.00 -1.81 0.00 0.00 61.98 58.59 2ky9 s VAL 35 Cb -0.15 -1.69 0.01 0.00 0.56 0.00 0.00 36.38 35.10 2ky9 s VAL 35 CO 0.08 -0.10 -0.21 -0.94 -0.31 0.00 0.00 175.10 173.61 2ky9 s SER 36 N -2.13 3.18 0.02 4.85 1.04 -0.59 -0.92 113.70 119.16 2ky9 s SER 36 Ca 0.10 -0.58 -0.11 0.00 0.48 0.00 0.00 55.95 55.84 2ky9 s SER 36 Cb -0.09 -1.46 0.01 0.00 0.10 0.00 0.00 66.02 64.58 2ky9 s SER 36 CO 0.05 0.09 0.23 -0.72 0.98 0.00 0.00 173.24 173.87 2ky9 s TYR 37 N 0.78 -0.03 -0.46 5.02 1.13 -0.65 -1.11 117.35 122.03 2ky9 s TYR 37 Ca -0.08 -0.08 -0.16 0.00 -1.41 0.00 0.00 57.07 55.35 2ky9 s TYR 37 Cb -0.16 0.02 0.06 0.00 -1.10 0.00 0.00 41.96 40.78 2ky9 s TYR 37 CO -0.01 -0.40 0.40 0.99 -2.51 0.00 0.00 175.55 174.02 2ky9 s THR 38 N -2.01 5.19 0.47 -3.49 2.01 -1.23 -0.88 115.64 115.71 2ky9 s THR 38 Ca -0.09 -0.87 -0.22 0.00 0.31 0.00 0.00 61.69 60.82 2ky9 s THR 38 Cb -0.03 -4.10 -0.10 0.00 0.01 0.00 0.00 72.50 68.28 2ky9 s THR 38 CO -0.01 -0.53 0.82 -2.65 -0.69 0.00 0.00 174.62 171.56 2ky9 n PRO 39 N 5.32 0.97 0.20 4.92 -0.02 -1.26 -4.02 135.00 141.11 2ky9 n PRO 39 Ca -0.11 0.35 0.14 0.00 -2.02 0.00 0.00 63.50 61.87 2ky9 n PRO 39 Cb 0.45 -1.89 0.66 0.00 -0.02 0.00 0.00 33.50 32.70 2ky9 n PRO 39 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2ky9 h THR 40 N 1.00 0.00 0.00 3.45 1.35 -1.20 -1.14 112.91 116.37 2ky9 h THR 40 Ca -0.44 -0.20 -0.00 0.00 -0.55 0.00 0.00 66.41 65.21 2ky9 h THR 40 Cb 1.37 0.96 -0.00 0.00 -1.73 0.00 0.00 68.15 68.75 2ky9 h THR 40 CO 0.53 0.00 -0.01 -1.13 -0.25 0.00 0.00 175.52 174.66 2ky9 h ASN 41 N 0.00 0.00 0.00 5.36 -1.24 -1.85 -3.47 115.58 114.38 2ky9 h ASN 41 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2ky9 h ASN 41 Cb 0.25 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.30 2ky9 h ASN 41 CO 0.00 0.01 0.00 0.61 -1.29 0.00 0.00 177.43 176.76 2ky9 n GLY 42 N -0.72 0.50 0.00 1.57 0.00 -0.43 -5.03 105.19 101.08 2ky9 n GLY 42 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.90 1.55 3.71 -0.02 0.00 -1.26 -5.04 105.19 101.22 2ky9 n GLY 43 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 0.17 2.94 0.21 1.61 -2.07 -1.26 -4.99 119.66 116.28 2ky9 s GLN 44 Ca 0.00 -0.49 -0.30 0.00 -1.82 0.00 0.00 55.36 52.75 2ky9 s GLN 44 Cb 0.00 -2.77 -0.09 0.00 -1.09 0.00 0.00 33.01 29.05 2ky9 s GLN 44 CO 0.00 0.67 1.41 0.50 -1.32 0.00 0.00 175.29 176.54 2ky9 s ARG 45 N -1.30 4.31 -0.28 9.60 3.52 -1.26 -4.44 118.95 129.10 2ky9 s ARG 45 Ca 0.17 2.21 -0.19 0.00 -0.13 0.00 0.00 55.73 57.79 2ky9 s ARG 45 Cb -0.12 -3.15 -0.02 0.00 -1.56 0.00 0.00 34.95 30.10 2ky9 s ARG 45 CO 0.07 -0.39 0.56 0.08 -0.81 0.00 0.00 175.30 174.82 2ky9 s VAL 46 N 0.23 5.01 -0.12 7.11 1.01 -0.06 -4.97 120.40 128.61 2ky9 s VAL 46 Ca 0.60 0.86 -0.06 0.00 0.00 0.00 0.00 61.98 63.38 2ky9 s VAL 46 Cb -0.40 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2ky9 s VAL 46 CO 0.39 -0.01 0.10 -1.81 0.00 0.00 0.00 175.10 173.77 2ky9 s ASP 47 N 1.58 6.01 -1.40 3.32 1.01 -1.26 -1.63 116.67 124.31 2ky9 s ASP 47 Ca 0.23 0.33 -0.09 0.00 0.71 0.00 0.00 52.55 53.73 2ky9 s ASP 47 Cb -0.15 -1.91 0.03 0.00 1.01 0.00 0.00 42.92 41.90 2ky9 s ASP 47 CO 0.10 0.36 1.06 1.41 0.21 0.00 0.00 175.17 178.32 2ky9 n HIS 48 N 2.28 -2.55 -2.04 4.23 8.25 -1.15 -4.95 115.22 119.30 2ky9 n HIS 48 Ca -0.19 0.96 -0.42 0.00 -0.26 0.00 0.00 57.72 57.81 2ky9 n HIS 48 Cb 0.54 -4.65 -0.03 0.00 1.12 0.00 0.00 29.99 26.98 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 -3.35 2.48 0.03 4.41 5.04 -0.10 -4.80 115.29 119.00 2ky9 s HIS 49 Ca 0.50 0.46 0.04 0.00 -1.54 0.00 0.00 55.06 54.53 2ky9 s HIS 49 Cb -0.24 -3.86 -0.02 0.00 0.04 0.00 0.00 32.58 28.51 2ky9 s HIS 49 CO 0.77 -3.40 -0.12 0.15 -2.34 0.00 0.00 174.74 169.80 2ky9 s LYS 50 N 2.81 0.84 -0.03 2.88 1.02 -1.26 -2.36 119.74 123.64 2ky9 s LYS 50 Ca 0.70 -0.64 0.03 0.00 0.02 0.00 0.00 55.97 56.09 2ky9 s LYS 50 Cb -0.36 -0.81 -0.03 0.00 -0.52 0.00 0.00 37.83 36.11 2ky9 s LYS 50 CO 0.30 0.20 -0.11 -1.58 -0.92 0.00 0.00 175.35 173.24 2ky9 s TRP 51 N -0.73 2.79 -0.01 3.18 0.52 -1.25 -4.88 118.94 118.57 2ky9 s TRP 51 Ca 0.01 -0.10 0.05 0.00 0.02 0.00 0.00 56.10 56.08 2ky9 s TRP 51 Cb -0.07 -1.62 -0.03 0.00 -1.15 0.00 0.00 33.47 30.60 2ky9 s TRP 51 CO 0.01 0.28 -0.15 0.14 0.02 0.00 0.00 176.95 177.24 2ky9 s VAL 52 N -0.84 2.97 0.37 4.03 -7.23 -1.15 -4.20 120.40 114.35 2ky9 s VAL 52 Ca 0.13 -0.93 0.08 0.00 -1.81 0.00 0.00 61.98 59.45 2ky9 s VAL 52 Cb -0.11 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 2ky9 s VAL 52 CO 0.03 0.47 0.22 0.27 -0.31 0.00 0.00 175.10 175.78 2ky9 s ILE 53 N -0.83 2.82 0.41 -0.62 -4.36 -1.26 -0.27 121.20 117.09 2ky9 s ILE 53 Ca 0.13 -1.58 0.15 0.00 -0.26 0.00 0.00 60.65 59.09 2ky9 s ILE 53 Cb -0.11 -3.01 0.36 0.00 1.25 0.00 0.00 42.46 40.95 2ky9 s ILE 53 CO 0.03 -0.10 1.89 -0.61 0.24 0.00 0.00 174.94 176.40 2ky9 h GLN 54 N 1.37 0.46 0.00 0.37 4.15 -1.90 -1.65 115.11 117.91 2ky9 h GLN 54 Ca -0.43 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 58.92 2ky9 h GLN 54 Cb 1.26 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.84 2ky9 h GLN 54 CO 0.63 0.30 -0.18 1.49 -1.93 0.00 0.00 178.83 179.14 2ky9 h GLU 55 N 0.47 0.00 -0.08 1.69 4.57 -1.96 -2.91 114.58 116.37 2ky9 h GLU 55 Ca 0.41 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.59 2ky9 h GLU 55 Cb 0.91 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 2ky9 h GLU 55 CO -0.15 0.18 0.00 0.39 -1.18 0.00 0.00 179.01 178.25 2ky9 n GLU 56 N -3.59 1.79 -4.40 1.92 1.02 -0.62 -4.85 120.64 111.90 2ky9 n GLU 56 Ca -0.01 -1.17 -0.34 0.00 -0.02 0.00 0.00 57.16 55.62 2ky9 n GLU 56 Cb 0.32 -1.46 -0.12 0.00 -0.02 0.00 0.00 31.44 30.16 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 -1.92 3.95 0.07 -3.67 1.01 -1.10 -0.89 121.20 118.66 2ky9 s ILE 57 Ca 0.35 -0.35 -0.16 0.00 0.00 0.00 0.00 60.65 60.50 2ky9 s ILE 57 Cb 0.20 -2.72 -0.15 0.00 0.01 0.00 0.00 42.46 39.80 2ky9 s ILE 57 CO 0.31 0.51 1.29 0.50 0.00 0.00 0.00 174.94 177.55 2ky9 h LYS 58 N 6.44 0.63 0.00 2.79 3.64 -1.55 -3.18 116.57 125.34 2ky9 h LYS 58 Ca -0.34 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 58.56 2ky9 h LYS 58 Cb 1.19 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2ky9 h LYS 58 CO 0.62 1.09 0.00 -3.47 -2.27 0.00 0.00 179.45 175.42 2ky9 n ASP 59 N -4.16 0.07 -0.26 4.20 2.03 -1.26 -4.48 116.55 112.69 2ky9 n ASP 59 Ca -0.07 0.51 -0.10 0.00 0.52 0.00 0.00 54.79 55.65 2ky9 n ASP 59 Cb 0.61 -0.53 -0.07 0.00 -0.72 0.00 0.00 41.12 40.42 2ky9 n ASP 59 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ky9 h ALA 60 N 2.90 -0.48 -3.06 -1.67 0.00 -1.83 -3.46 119.26 111.65 2ky9 h ALA 60 Ca 0.00 0.09 -0.38 0.00 0.00 0.00 0.00 54.91 54.63 2ky9 h ALA 60 Cb 0.49 1.13 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2ky9 h ALA 60 CO 0.00 -0.92 -0.50 0.41 0.00 0.00 0.00 179.25 178.24 2ky9 n GLY 61 N -1.36 -0.41 3.66 0.00 0.00 -1.26 -1.73 105.19 104.09 2ky9 n GLY 61 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2ky9 n GLY 61 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ky9 n ASP 62 N -1.75 0.00 -4.89 1.61 2.03 -1.26 -5.01 116.55 107.27 2ky9 n ASP 62 Ca -0.20 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.82 2ky9 n ASP 62 Cb 0.66 -0.45 -0.04 0.00 -0.72 0.00 0.00 41.12 40.57 2ky9 n ASP 62 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2ky9 s LYS 63 N 0.00 3.70 -0.06 -0.67 -2.85 -0.71 -5.07 119.74 114.08 2ky9 s LYS 63 Ca 0.00 0.17 -0.24 0.00 -1.00 0.00 0.00 55.97 54.90 2ky9 s LYS 63 Cb 0.00 -2.59 -0.04 0.00 -2.06 0.00 0.00 37.83 33.15 2ky9 s LYS 63 CO 0.00 0.18 0.73 0.99 0.10 0.00 0.00 175.35 177.35 2ky9 s THR 64 N -2.09 5.03 0.20 3.79 2.01 -1.26 -4.89 115.64 118.42 2ky9 s THR 64 Ca 0.46 1.51 -0.15 0.00 0.31 0.00 0.00 61.69 63.83 2ky9 s THR 64 Cb -0.11 -4.07 -0.07 0.00 0.01 0.00 0.00 72.50 68.26 2ky9 s THR 64 CO 0.28 0.24 0.61 -0.76 -0.69 0.00 0.00 174.62 174.30 2ky9 s LEU 65 N 0.85 4.28 0.25 4.42 1.43 -1.26 -5.12 118.68 123.54 2ky9 s LEU 65 Ca 0.39 1.15 0.11 0.00 -1.03 0.00 0.00 54.13 54.75 2ky9 s LEU 65 Cb -0.18 -3.50 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 2ky9 s LEU 65 CO 0.19 0.02 -0.12 -1.10 0.23 0.00 0.00 176.35 175.58 2ky9 s GLN 66 N -2.21 1.95 -0.26 1.70 1.11 -1.26 -4.83 119.66 115.86 2ky9 s GLN 66 Ca 0.42 -1.54 -0.35 0.00 0.01 0.00 0.00 55.36 53.90 2ky9 s GLN 66 Cb -0.14 -1.98 -0.11 0.00 -1.01 0.00 0.00 33.01 29.77 2ky9 s GLN 66 CO 0.20 0.36 2.05 -0.35 0.01 0.00 0.00 175.29 177.56 2ky9 n PRO 67 N -0.55 1.48 0.00 2.91 -0.04 -1.26 -1.68 135.00 135.86 2ky9 n PRO 67 Ca -0.07 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 2ky9 n PRO 67 Cb 0.59 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 2ky9 n PRO 67 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ky9 n GLY 68 N 5.58 2.13 3.69 0.55 0.00 0.00 -5.02 105.19 112.13 2ky9 n GLY 68 Ca 0.33 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.89 6.70 -0.21 1.61 1.01 -0.67 -4.78 116.67 118.44 2ky9 s ASP 69 Ca 0.00 2.36 -0.07 0.00 0.71 0.00 0.00 52.55 55.56 2ky9 s ASP 69 Cb 0.00 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 2ky9 s ASP 69 CO 0.00 -0.81 0.05 -1.58 0.21 0.00 0.00 175.17 173.05 2ky9 s GLN 70 N 2.29 3.78 0.30 8.23 0.74 -1.26 -1.39 119.66 132.35 2ky9 s GLN 70 Ca 0.69 -0.43 0.03 0.00 0.05 0.00 0.00 55.36 55.71 2ky9 s GLN 70 Cb -0.37 -3.23 -0.04 0.00 1.10 0.00 0.00 33.01 30.47 2ky9 s GLN 70 CO 0.30 0.04 0.17 0.14 -0.55 0.00 0.00 175.29 175.39 2ky9 s VAL 71 N 1.00 0.25 -0.02 1.34 -7.23 -0.05 -4.99 120.40 110.70 2ky9 s VAL 71 Ca 0.04 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.23 2ky9 s VAL 71 Cb -0.14 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 2ky9 s VAL 71 CO 0.03 0.00 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.10 2ky9 s ILE 72 N -3.63 3.50 -0.14 -0.62 -1.09 -1.26 -0.91 121.20 117.05 2ky9 s ILE 72 Ca 0.36 -0.71 -0.21 0.00 -2.23 0.00 0.00 60.65 57.87 2ky9 s ILE 72 Cb 0.05 -2.47 -0.03 0.00 -1.58 0.00 0.00 42.46 38.43 2ky9 s ILE 72 CO 0.18 0.48 0.60 -0.76 -1.23 0.00 0.00 174.94 174.22 2ky9 s LEU 73 N -1.12 4.22 0.19 2.97 1.43 -1.17 -1.43 118.68 123.77 2ky9 s LEU 73 Ca 0.15 0.91 0.19 0.00 -1.03 0.00 0.00 54.13 54.35 2ky9 s LEU 73 Cb -0.11 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 43.24 2ky9 s LEU 73 CO 0.04 -0.15 1.09 -0.33 0.23 0.00 0.00 176.35 177.24 2ky9 h GLU 74 N 7.08 0.00 -6.99 1.70 4.39 -1.34 -0.90 114.58 118.53 2ky9 h GLU 74 Ca -0.37 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 58.84 2ky9 h GLU 74 Cb 1.17 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.85 2ky9 h GLU 74 CO 0.76 0.18 0.16 0.00 -1.16 0.00 0.00 179.01 178.96 2ky9 s ALA 75 N -3.12 3.34 -0.05 3.43 0.00 -1.09 -4.91 121.76 119.36 2ky9 s ALA 75 Ca 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 2ky9 s ALA 75 Cb 0.08 -2.69 0.03 0.00 0.00 0.00 0.00 23.12 20.54 2ky9 s ALA 75 CO 0.78 -0.34 0.02 0.45 0.00 0.00 0.00 175.76 176.67 2ky9 s SER 76 N -3.92 1.08 0.00 0.00 0.15 -1.26 -3.16 113.70 106.59 2ky9 s SER 76 Ca 0.49 -0.01 0.13 0.00 0.70 0.00 0.00 55.95 57.27 2ky9 s SER 76 Cb -0.10 -0.26 -0.13 0.00 -1.71 0.00 0.00 66.02 63.81 2ky9 s SER 76 CO 0.44 -0.19 0.59 1.41 1.20 0.00 0.00 173.24 176.69 2ky9 n HIS 77 N 4.91 0.00 -4.19 3.44 8.25 -1.26 -4.93 115.22 121.43 2ky9 n HIS 77 Ca -0.11 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.22 2ky9 n HIS 77 Cb 0.50 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.57 2ky9 n HIS 77 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2ky9 n MET 78 N -1.21 0.34 -2.36 -0.41 2.81 -1.26 -5.10 117.12 109.92 2ky9 n MET 78 Ca 0.03 -1.99 -0.42 0.00 -1.81 0.00 0.00 57.70 53.51 2ky9 n MET 78 Cb 0.22 1.52 -0.03 0.00 -0.71 0.00 0.00 33.22 34.22 2ky9 n MET 78 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2ky9 s LYS 79 N -2.83 4.43 -1.97 0.03 -2.85 -1.26 -3.53 119.74 111.76 2ky9 s LYS 79 Ca 0.21 1.86 0.00 0.00 -1.00 0.00 0.00 55.97 57.04 2ky9 s LYS 79 Cb 0.01 -3.29 0.00 0.00 -2.06 0.00 0.00 37.83 32.49 2ky9 s LYS 79 CO 0.15 -0.23 0.00 0.41 0.10 0.00 0.00 175.35 175.78 2ky9 n GLY 80 N 2.91 1.76 0.14 0.59 0.00 -1.26 -4.74 105.19 104.60 2ky9 n GLY 80 Ca 0.08 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 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 0.43 -6.74 1.61 4.05 -1.90 0.35 114.93 112.72 2ky9 h MET 81 Ca -0.38 -0.57 -0.53 0.00 -0.28 0.00 0.00 59.70 57.94 2ky9 h MET 81 Cb 1.22 0.19 0.06 0.00 -0.80 0.00 0.00 31.60 32.27 2ky9 h MET 81 CO 0.56 1.23 0.76 0.21 0.23 0.00 0.00 176.91 179.90 2ky9 s LYS 82 N -2.86 4.27 0.00 0.39 2.20 -1.19 -3.12 119.74 119.43 2ky9 s LYS 82 Ca -0.12 2.30 0.00 0.00 -0.36 0.00 0.00 55.97 57.79 2ky9 s LYS 82 Cb 0.03 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 2ky9 s LYS 82 CO 0.86 -0.42 0.00 0.41 -0.36 0.00 0.00 175.35 175.83 2ky9 n GLY 83 N 2.25 1.57 3.77 5.54 0.00 -0.34 -4.70 105.19 113.28 2ky9 n GLY 83 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.35 3.21 -0.56 4.61 0.00 -1.18 -4.69 121.76 120.81 2ky9 s ALA 84 Ca 0.00 1.16 -0.28 0.00 0.00 0.00 0.00 51.96 52.84 2ky9 s ALA 84 Cb 0.00 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.68 2ky9 s ALA 84 CO 0.00 -0.76 1.31 0.99 0.00 0.00 0.00 175.76 177.30 2ky9 s THR 85 N -1.30 3.90 0.08 0.00 2.01 -1.26 -3.04 115.64 116.02 2ky9 s THR 85 Ca 0.57 0.80 0.02 0.00 0.31 0.00 0.00 61.69 63.39 2ky9 s THR 85 Cb -0.36 -4.56 -0.04 0.00 0.01 0.00 0.00 72.50 67.55 2ky9 s THR 85 CO 0.46 -1.22 0.12 0.00 -0.69 0.00 0.00 174.62 173.29 2ky9 s ALA 86 N 5.50 3.70 -0.07 7.40 0.00 -0.09 -3.52 121.76 134.69 2ky9 s ALA 86 Ca 0.49 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.50 2ky9 s ALA 86 Cb -0.09 -1.56 0.02 0.00 0.00 0.00 0.00 23.12 21.49 2ky9 s ALA 86 CO 0.26 0.77 -0.11 -2.00 0.00 0.00 0.00 175.76 174.68 2ky9 s GLU 87 N -2.44 1.59 -0.38 0.00 2.12 -0.27 -0.87 118.70 118.45 2ky9 s GLU 87 Ca 0.31 -0.36 -0.28 0.00 0.36 0.00 0.00 54.97 55.00 2ky9 s GLU 87 Cb -0.12 -1.36 -0.04 0.00 0.26 0.00 0.00 34.13 32.87 2ky9 s GLU 87 CO 0.24 -0.01 2.03 0.42 -0.54 0.00 0.00 175.26 177.40 2ky9 s ILE 88 N 0.79 3.25 0.12 -3.70 -1.09 -0.48 -1.54 121.20 118.55 2ky9 s ILE 88 Ca -0.12 0.22 -0.06 0.00 -2.23 0.00 0.00 60.65 58.46 2ky9 s ILE 88 Cb -0.15 -3.41 -0.20 0.00 -1.58 0.00 0.00 42.46 37.12 2ky9 s ILE 88 CO 0.02 -0.31 1.27 -0.78 -1.23 0.00 0.00 174.94 173.91 2ky9 h ASP 89 N 15.04 0.57 -4.77 3.58 3.58 -0.98 0.05 116.42 133.49 2ky9 h ASP 89 Ca -0.33 -0.47 -0.06 0.00 0.42 0.00 0.00 57.03 56.59 2ky9 h ASP 89 Cb 1.20 -0.18 -0.20 0.00 1.72 0.00 0.00 39.33 41.88 2ky9 h ASP 89 CO 1.07 1.28 0.11 -0.55 -2.88 0.00 0.00 179.24 178.27 2ky9 s SER 90 N -7.12 -0.62 -0.09 2.28 0.15 -1.10 -4.79 113.70 102.41 2ky9 s SER 90 Ca -0.06 0.79 0.03 0.00 0.70 0.00 0.00 55.95 57.41 2ky9 s SER 90 Cb 0.08 0.70 -0.01 0.00 -1.71 0.00 0.00 66.02 65.08 2ky9 s SER 90 CO 0.88 -0.51 -0.17 0.00 1.20 0.00 0.00 173.24 174.63 2ky9 s ALA 91 N -0.86 2.47 -0.10 5.45 0.00 -1.26 -1.55 121.76 125.91 2ky9 s ALA 91 Ca -0.09 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 50.88 2ky9 s ALA 91 Cb -0.02 -0.99 0.05 0.00 0.00 0.00 0.00 23.12 22.16 2ky9 s ALA 91 CO 0.07 0.36 0.21 -2.00 0.00 0.00 0.00 175.76 174.40 2ky9 s GLU 92 N 0.00 0.11 -0.71 0.00 2.56 -0.71 -5.04 118.70 114.92 2ky9 s GLU 92 Ca -0.06 0.58 -0.20 0.00 0.00 0.00 0.00 54.97 55.29 2ky9 s GLU 92 Cb -0.15 -0.16 0.10 0.00 2.00 0.00 0.00 34.13 35.93 2ky9 s GLU 92 CO 0.05 -0.25 0.90 0.15 -0.56 0.00 0.00 175.26 175.55 2ky9 s LYS 93 N 1.93 3.22 0.07 4.30 3.01 -1.26 -0.51 119.74 130.50 2ky9 s LYS 93 Ca -0.02 -1.30 0.02 0.00 -1.01 0.00 0.00 55.97 53.67 2ky9 s LYS 93 Cb -0.12 -4.41 -0.03 0.00 -1.01 0.00 0.00 37.83 32.26 2ky9 s LYS 93 CO -0.07 -1.69 -0.08 -0.08 0.51 0.00 0.00 175.35 173.94 2ky9 s THR 94 N 3.09 0.65 -0.22 2.17 -1.32 -0.97 -4.97 115.64 114.07 2ky9 s THR 94 Ca 0.21 -1.50 -0.27 0.00 -1.21 0.00 0.00 61.69 58.92 2ky9 s THR 94 Cb -0.16 -1.14 0.00 0.00 -1.51 0.00 0.00 72.50 69.69 2ky9 s THR 94 CO 0.03 -0.60 0.95 -0.89 -2.21 0.00 0.00 174.62 171.90 2ky9 s THR 95 N -2.42 4.76 -0.12 5.08 2.01 -1.26 -3.38 115.64 120.30 2ky9 s THR 95 Ca 0.01 1.85 -0.01 0.00 0.31 0.00 0.00 61.69 63.84 2ky9 s THR 95 Cb -0.03 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.22 2ky9 s THR 95 CO -0.02 -0.11 -0.07 0.68 -0.69 0.00 0.00 174.62 174.41 2ky9 s VAL 96 N 2.91 3.67 0.02 3.82 -7.23 -0.11 -3.64 120.40 119.84 2ky9 s VAL 96 Ca 0.41 -0.46 0.04 0.00 -1.81 0.00 0.00 61.98 60.16 2ky9 s VAL 96 Cb -0.15 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 2ky9 s VAL 96 CO 0.08 0.53 -0.07 -0.31 -0.31 0.00 0.00 175.10 175.03 2ky9 s TYR 97 N -0.04 2.87 -0.25 2.82 2.02 0.39 -1.09 117.35 124.07 2ky9 s TYR 97 Ca 0.00 -0.06 -0.18 0.00 -0.37 0.00 0.00 57.07 56.47 2ky9 s TYR 97 Cb -0.13 -1.58 -0.03 0.00 -0.40 0.00 0.00 41.96 39.82 2ky9 s TYR 97 CO 0.03 0.38 0.50 1.41 -1.57 0.00 0.00 175.55 176.31 2ky9 s MET 98 N -1.57 4.09 0.14 -0.62 -2.45 -0.46 -3.14 119.30 115.29 2ky9 s MET 98 Ca 0.18 0.32 0.09 0.00 -1.25 0.00 0.00 55.69 55.03 2ky9 s MET 98 Cb -0.11 -3.63 -0.04 0.00 1.25 0.00 0.00 34.83 32.30 2ky9 s MET 98 CO 0.09 -0.30 -0.21 0.14 1.05 0.00 0.00 175.02 175.78 2ky9 s VAL 99 N 2.15 1.90 -0.24 10.11 -7.23 -0.22 -0.49 120.40 126.39 2ky9 s VAL 99 Ca 0.21 -1.74 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 2ky9 s VAL 99 Cb -0.16 -1.78 0.04 0.00 0.56 0.00 0.00 36.38 35.05 2ky9 s VAL 99 CO 0.09 -0.12 -0.11 -0.62 -0.31 0.00 0.00 175.10 174.04 2ky9 s ASP 100 N -2.24 4.11 0.32 4.85 2.15 -0.36 -0.69 116.67 124.81 2ky9 s ASP 100 Ca 0.12 -1.01 0.03 0.00 0.43 0.00 0.00 52.55 52.12 2ky9 s ASP 100 Cb -0.09 -1.59 -0.06 0.00 -0.30 0.00 0.00 42.92 40.89 2ky9 s ASP 100 CO 0.06 -0.12 0.07 -0.72 -0.17 0.00 0.00 175.17 174.28 2ky9 s TYR 101 N 1.24 1.90 -0.15 -5.34 1.13 -0.07 -1.68 117.35 114.38 2ky9 s TYR 101 Ca -0.02 -1.01 -0.01 0.00 -1.41 0.00 0.00 57.07 54.63 2ky9 s TYR 101 Cb -0.17 -1.23 -0.01 0.00 -1.10 0.00 0.00 41.96 39.45 2ky9 s TYR 101 CO -0.06 -0.05 -0.12 0.99 -2.51 0.00 0.00 175.55 173.79 2ky9 s THR 102 N -3.35 3.06 0.08 -3.49 2.01 -1.15 -1.10 115.64 111.69 2ky9 s THR 102 Ca 0.36 -0.65 -0.31 0.00 0.31 0.00 0.00 61.69 61.40 2ky9 s THR 102 Cb 0.08 -2.30 -0.08 0.00 0.01 0.00 0.00 72.50 70.21 2ky9 s THR 102 CO 0.15 0.51 1.65 -0.55 -0.69 0.00 0.00 174.62 175.69 2ky9 s SER 103 N 0.59 6.60 0.18 3.53 0.15 -0.40 -4.45 113.70 119.90 2ky9 s SER 103 Ca -0.07 2.50 -0.04 0.00 0.70 0.00 0.00 55.95 59.04 2ky9 s SER 103 Cb -0.15 -2.57 0.09 0.00 -1.71 0.00 0.00 66.02 61.68 2ky9 s SER 103 CO 0.03 -0.88 1.49 0.71 1.20 0.00 0.00 173.24 175.79 2ky9 h THR 104 N 4.73 1.32 0.26 6.45 1.35 -1.52 -1.38 112.91 124.12 2ky9 h THR 104 Ca -0.43 -1.79 -0.34 0.00 -0.55 0.00 0.00 66.41 63.30 2ky9 h THR 104 Cb 1.20 1.75 0.04 0.00 -1.73 0.00 0.00 68.15 69.42 2ky9 h THR 104 CO 0.93 0.56 -1.50 0.00 -0.25 0.00 0.00 175.52 175.26 2ky9 h THR 105 N 0.46 1.27 0.00 6.82 1.03 -1.83 -3.40 112.91 117.25 2ky9 h THR 105 Ca 0.01 -2.70 -0.06 0.00 -0.01 0.00 0.00 66.41 63.66 2ky9 h THR 105 Cb 1.10 3.04 -0.01 0.00 -1.07 0.00 0.00 68.15 71.21 2ky9 h THR 105 CO 0.11 0.81 -1.37 -1.54 -0.01 0.00 0.00 175.52 173.52 2ky9 n SER 106 N -3.72 3.46 0.00 0.00 3.41 -1.26 -5.03 113.62 110.48 2ky9 n SER 106 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 2ky9 n SER 106 Cb 1.11 0.99 0.00 0.00 -0.26 0.00 0.00 64.21 66.05 2ky9 n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ky9 n GLY 107 N 2.36 0.70 3.72 5.00 0.00 -0.52 -5.04 105.19 111.41 2ky9 n GLY 107 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 2ky9 n GLY 107 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ky9 s GLU 108 N -0.31 4.63 -0.48 1.61 -1.05 -1.26 -4.65 118.70 117.20 2ky9 s GLU 108 Ca 0.00 1.50 -0.27 0.00 -0.15 0.00 0.00 54.97 56.05 2ky9 s GLU 108 Cb 0.00 -3.38 0.03 0.00 -0.44 0.00 0.00 34.13 30.34 2ky9 s GLU 108 CO 0.00 0.10 1.01 0.21 0.95 0.00 0.00 175.26 177.53 2ky9 s LYS 109 N 0.27 3.59 -0.19 -4.83 2.36 -1.26 -1.28 119.74 118.40 2ky9 s LYS 109 Ca 0.49 0.30 -0.06 0.00 -2.55 0.00 0.00 55.97 54.15 2ky9 s LYS 109 Cb -0.24 -3.93 -0.03 0.00 -1.05 0.00 0.00 37.83 32.58 2ky9 s LYS 109 CO 0.30 -1.31 0.03 0.08 1.55 0.00 0.00 175.35 176.00 2ky9 s VAL 110 N 4.07 4.35 0.24 4.02 1.01 -0.26 -5.02 120.40 128.80 2ky9 s VAL 110 Ca 0.41 -0.18 0.11 0.00 0.00 0.00 0.00 61.98 62.32 2ky9 s VAL 110 Cb -0.09 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 2ky9 s VAL 110 CO 0.28 0.44 -0.19 -1.59 0.00 0.00 0.00 175.10 174.04 2ky9 s LYS 111 N 0.72 1.71 -1.58 2.72 0.00 -1.26 -0.89 119.74 121.16 2ky9 s LYS 111 Ca 0.02 -1.60 -0.01 0.00 0.00 0.00 0.00 55.97 54.38 2ky9 s LYS 111 Cb -0.14 -1.87 0.00 0.00 0.00 0.00 0.00 37.83 35.83 2ky9 s LYS 111 CO 0.02 0.37 0.08 -1.71 0.00 0.00 0.00 175.35 174.10 2ky9 n ASN 112 N -0.26 -5.41 -4.74 0.03 2.85 -1.19 -4.95 115.26 101.58 2ky9 n ASN 112 Ca -0.08 -0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 53.97 2ky9 n ASN 112 Cb 0.58 -4.51 -0.04 0.00 1.24 0.00 0.00 39.78 37.06 2ky9 n ASN 112 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 2ky9 s HIS 113 N -2.95 3.49 -0.03 1.20 2.46 0.13 -4.79 115.29 114.80 2ky9 s HIS 113 Ca 0.04 1.51 -0.29 0.00 0.47 0.00 0.00 55.06 56.79 2ky9 s HIS 113 Cb -0.02 -3.37 0.09 0.00 -0.13 0.00 0.00 32.58 29.16 2ky9 s HIS 113 CO 0.05 -0.95 0.81 -1.59 -2.47 0.00 0.00 174.74 170.60 2ky9 s LYS 114 N -0.42 0.90 -0.11 2.88 -2.85 -1.26 -1.06 119.74 117.82 2ky9 s LYS 114 Ca 0.51 -0.05 -0.03 0.00 -1.00 0.00 0.00 55.97 55.40 2ky9 s LYS 114 Cb -0.32 0.42 -0.03 0.00 -2.06 0.00 0.00 37.83 35.84 2ky9 s LYS 114 CO 0.37 -0.34 0.01 -1.58 0.10 0.00 0.00 175.35 173.91 2ky9 s TRP 115 N -2.14 3.17 0.05 1.78 0.52 -1.26 -4.93 118.94 116.13 2ky9 s TRP 115 Ca -0.02 0.12 0.09 0.00 0.02 0.00 0.00 56.10 56.31 2ky9 s TRP 115 Cb -0.01 -1.86 -0.03 0.00 -1.15 0.00 0.00 33.47 30.43 2ky9 s TRP 115 CO -0.02 0.36 -0.26 0.14 0.02 0.00 0.00 176.95 177.20 2ky9 s VAL 116 N -0.54 2.12 0.57 4.03 -7.23 -1.19 -3.74 120.40 114.42 2ky9 s VAL 116 Ca 0.09 -1.39 0.10 0.00 -1.81 0.00 0.00 61.98 58.97 2ky9 s VAL 116 Cb -0.12 -1.81 0.08 0.00 0.56 0.00 0.00 36.38 35.09 2ky9 s VAL 116 CO 0.02 0.36 0.78 0.42 -0.31 0.00 0.00 175.10 176.36 2ky9 s THR 117 N -0.81 2.14 0.12 5.32 -4.23 -1.26 -0.46 115.64 116.46 2ky9 s THR 117 Ca 0.12 -1.02 -0.22 0.00 -1.18 0.00 0.00 61.69 59.39 2ky9 s THR 117 Cb -0.10 -2.16 -0.05 0.00 1.34 0.00 0.00 72.50 71.53 2ky9 s THR 117 CO 0.02 0.00 1.70 -0.08 -0.54 0.00 0.00 174.62 175.72 2ky9 h GLU 118 N 0.20 -0.09 0.00 3.99 4.57 -1.94 -2.44 114.58 118.87 2ky9 h GLU 118 Ca -0.30 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 2ky9 h GLU 118 Cb 1.29 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 2ky9 h GLU 118 CO 0.41 -0.06 0.00 -0.44 -1.18 0.00 0.00 179.01 177.74 2ky9 h ASP 119 N -0.09 0.00 0.29 1.04 3.32 -1.96 -2.71 116.42 116.31 2ky9 h ASP 119 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2ky9 h ASP 119 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2ky9 h ASP 119 CO -0.17 0.00 -0.32 -0.62 -1.72 0.00 0.00 179.24 176.41 2ky9 n GLU 120 N -2.75 0.64 -4.34 3.56 1.02 -0.92 -4.80 120.64 113.05 2ky9 n GLU 120 Ca -0.00 -0.38 -0.23 0.00 -0.02 0.00 0.00 57.16 56.52 2ky9 n GLU 120 Cb 0.20 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 30.04 2ky9 n GLU 120 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2ky9 s LEU 121 N -2.62 3.01 -0.12 -4.62 1.43 -1.02 -1.79 118.68 112.94 2ky9 s LEU 121 Ca 0.21 -0.79 -0.05 0.00 -1.03 0.00 0.00 54.13 52.47 2ky9 s LEU 121 Cb 0.19 -1.51 0.06 0.00 0.03 0.00 0.00 46.19 44.96 2ky9 s LEU 121 CO 0.56 -0.02 0.25 -0.44 0.23 0.00 0.00 176.35 176.93 2ky9 s SER 122 N -3.64 0.34 0.36 2.29 0.01 -0.02 -4.82 113.70 108.21 2ky9 s SER 122 Ca 0.32 0.57 -0.28 0.00 1.31 0.00 0.00 55.95 57.86 2ky9 s SER 122 Cb -0.05 0.65 -0.11 0.00 0.21 0.00 0.00 66.02 66.72 2ky9 s SER 122 CO 0.19 -0.23 1.42 0.00 0.41 0.00 0.00 173.24 175.02 2ky9 s ALA 123 N 2.32 3.55 -0.92 1.44 0.00 -1.26 -0.46 121.76 126.44 2ky9 s ALA 123 Ca 0.01 1.45 -0.25 0.00 0.00 0.00 0.00 51.96 53.17 2ky9 s ALA 123 Cb -0.12 -3.56 -0.12 0.00 0.00 0.00 0.00 23.12 19.32 2ky9 s ALA 123 CO -0.08 -0.89 2.16 0.21 0.00 0.00 0.00 175.76 177.16 2ky9 s LYS 124 N -1.94 1.93 -0.05 0.00 2.47 -0.29 -4.80 119.74 117.06 2ky9 s LYS 124 Ca 0.51 -0.09 -0.07 0.00 -1.56 0.00 0.00 55.97 54.76 2ky9 s LYS 124 Cb -0.44 -4.96 0.01 0.00 -1.46 0.00 0.00 37.83 30.99 2ky9 s LYS 124 CO 0.59 -4.24 0.18 -0.51 0.16 0.00 0.00 175.35 171.53 2ky9 s LEU 125 N 13.26 1.33 0.17 5.43 1.43 -1.26 -5.04 118.68 134.00 2ky9 s LEU 125 Ca 0.81 0.23 0.25 0.00 -1.03 0.00 0.00 54.13 54.39 2ky9 s LEU 125 Cb -0.08 0.67 0.91 0.00 0.03 0.00 0.00 46.19 47.73 2ky9 s LEU 125 CO 0.07 -0.15 1.77 -0.62 0.23 0.00 0.00 176.35 177.65 2ky9 n GLU 126 N 2.55 0.18 -0.18 1.70 1.02 -1.26 -3.66 120.64 120.99 2ky9 n GLU 126 Ca -0.15 0.22 0.22 0.00 -0.02 0.00 0.00 57.16 57.43 2ky9 n GLU 126 Cb 0.58 -1.74 0.61 0.00 -0.02 0.00 0.00 31.44 30.87 2ky9 n GLU 126 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2ky9 h HIS 127 N 0.00 0.27 -3.74 -0.32 2.76 -1.96 -3.26 115.15 108.90 2ky9 h HIS 127 Ca 0.00 0.01 -0.66 0.00 -2.20 0.00 0.00 60.37 57.52 2ky9 h HIS 127 Cb 0.58 -0.08 -0.39 0.00 1.55 0.00 0.00 27.41 29.06 2ky9 h HIS 127 CO 0.00 0.07 -0.74 -3.38 -1.30 0.00 0.00 177.93 172.58 2ky9 s HIS 128 N -5.21 3.62 0.05 5.26 -3.43 -1.24 -5.10 115.29 109.24 2ky9 s HIS 128 Ca -0.07 -2.80 -0.30 0.00 -0.80 0.00 0.00 55.06 51.09 2ky9 s HIS 128 Cb 0.22 -2.64 -0.09 0.00 -1.43 0.00 0.00 32.58 28.64 2ky9 s HIS 128 CO 0.77 -0.93 1.84 -1.58 -2.00 0.00 0.00 174.74 172.84 2ky9 s HIS 129 N 0.96 1.79 0.01 0.38 2.46 -1.23 -4.88 115.29 114.79 2ky9 s HIS 129 Ca 0.05 -0.13 0.29 0.00 0.47 0.00 0.00 55.06 55.74 2ky9 s HIS 129 Cb -0.19 -4.14 1.50 0.00 -0.13 0.00 0.00 32.58 29.62 2ky9 s HIS 129 CO -0.07 -4.87 1.88 1.12 -2.47 0.00 0.00 174.74 170.33 2ky9 h HIS 130 N 9.54 0.00 -2.02 3.88 2.07 -1.93 -3.38 115.15 123.31 2ky9 h HIS 130 Ca -0.46 0.00 0.07 0.00 -2.85 0.00 0.00 60.37 57.13 2ky9 h HIS 130 Cb 1.22 0.00 -0.20 0.00 2.57 0.00 0.00 27.41 30.99 2ky9 h HIS 130 CO 0.87 0.00 -0.14 -1.58 -3.07 0.00 0.00 177.93 174.02 2ky9 s HIS 131 N -3.69 -1.32 0.00 6.12 5.65 -1.26 -5.25 115.29 115.54 2ky9 s HIS 131 Ca -0.02 2.30 0.00 0.00 0.25 0.00 0.00 55.06 57.59 2ky9 s HIS 131 Cb 0.09 0.78 0.00 0.00 -1.18 0.00 0.00 32.58 32.27 2ky9 s HIS 131 CO 0.31 -0.66 0.00 -2.39 -0.65 0.00 0.00 174.74 171.35