#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 2.23 0.06 0.03 1.02 -1.26 -4.96 119.74 116.86 2ky9 s LYS 2 Ca 0.00 -1.42 -0.31 0.00 0.02 0.00 0.00 55.97 54.26 2ky9 s LYS 2 Cb 0.00 -2.14 -0.08 0.00 -0.52 0.00 0.00 37.83 35.09 2ky9 s LYS 2 CO 0.00 0.37 1.64 0.08 -0.92 0.00 0.00 175.35 176.52 2ky9 s VAL 3 N -2.26 3.11 0.00 3.17 1.01 -1.26 -2.12 120.40 122.05 2ky9 s VAL 3 Ca 0.31 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.82 2ky9 s VAL 3 Cb -0.07 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.97 2ky9 s VAL 3 CO 0.19 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.90 2ky9 n GLY 4 N 3.99 0.52 3.80 4.51 0.00 -0.18 -5.04 105.19 112.79 2ky9 n GLY 4 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 2ky9 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ky9 s SER 5 N -2.25 7.20 -0.16 1.61 1.04 -0.90 -4.88 113.70 115.37 2ky9 s SER 5 Ca 0.00 1.70 -0.16 0.00 0.48 0.00 0.00 55.95 57.97 2ky9 s SER 5 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 2ky9 s SER 5 CO 0.00 -0.09 0.39 -1.10 0.98 0.00 0.00 173.24 173.43 2ky9 s GLN 6 N -2.21 4.27 0.09 4.02 -0.21 -1.26 -1.64 119.66 122.72 2ky9 s GLN 6 Ca 0.50 0.26 0.05 0.00 0.02 0.00 0.00 55.36 56.19 2ky9 s GLN 6 Cb -0.17 -3.46 -0.03 0.00 1.00 0.00 0.00 33.01 30.35 2ky9 s GLN 6 CO 0.21 0.13 -0.13 0.14 -2.12 0.00 0.00 175.29 173.53 2ky9 s VAL 7 N 0.76 1.08 -0.17 1.09 -7.23 -0.65 -3.16 120.40 112.14 2ky9 s VAL 7 Ca 0.21 -1.51 -0.07 0.00 -1.81 0.00 0.00 61.98 58.80 2ky9 s VAL 7 Cb -0.14 -1.26 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 2ky9 s VAL 7 CO 0.07 -0.39 0.08 -0.63 -0.31 0.00 0.00 175.10 173.93 2ky9 s ILE 8 N -1.87 4.97 -0.39 -0.62 -1.09 0.44 -0.91 121.20 121.72 2ky9 s ILE 8 Ca 0.03 0.02 -0.29 0.00 -2.23 0.00 0.00 60.65 58.18 2ky9 s ILE 8 Cb -0.06 -3.22 0.02 0.00 -1.58 0.00 0.00 42.46 37.62 2ky9 s ILE 8 CO 0.02 0.50 1.17 -0.63 -1.23 0.00 0.00 174.94 174.76 2ky9 s ILE 9 N 0.01 4.27 -0.07 2.92 1.01 -0.64 -0.79 121.20 127.90 2ky9 s ILE 9 Ca 0.07 1.38 0.11 0.00 0.00 0.00 0.00 60.65 62.21 2ky9 s ILE 9 Cb -0.12 -4.43 -0.23 0.00 0.01 0.00 0.00 42.46 37.68 2ky9 s ILE 9 CO 0.01 -0.72 0.55 -0.46 0.00 0.00 0.00 174.94 174.32 2ky9 n ASN 10 N 7.57 0.90 -4.19 3.58 0.23 -1.24 -0.84 115.26 121.28 2ky9 n ASN 10 Ca 0.13 0.34 -0.25 0.00 -0.53 0.00 0.00 54.58 54.27 2ky9 n ASN 10 Cb 0.48 -0.02 -0.15 0.00 -2.08 0.00 0.00 39.78 38.01 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 -2.58 1.47 -0.19 5.53 2.01 -0.95 -4.78 115.64 116.15 2ky9 s THR 11 Ca -0.07 -0.87 -0.17 0.00 0.31 0.00 0.00 61.69 60.88 2ky9 s THR 11 Cb 0.08 -1.24 0.05 0.00 0.01 0.00 0.00 72.50 71.40 2ky9 s THR 11 CO 0.82 0.35 0.51 -0.44 -0.69 0.00 0.00 174.62 175.17 2ky9 s SER 12 N -0.60 -0.53 0.27 3.53 0.01 -1.26 -4.75 113.70 110.37 2ky9 s SER 12 Ca 0.07 1.02 0.15 0.00 1.31 0.00 0.00 55.95 58.50 2ky9 s SER 12 Cb -0.07 1.03 0.10 0.00 0.21 0.00 0.00 66.02 67.29 2ky9 s SER 12 CO -0.00 -0.18 1.46 0.45 0.41 0.00 0.00 173.24 175.38 2ky9 h HIS 13 N 5.40 0.00 -3.53 2.43 3.86 -2.00 -3.43 115.15 117.88 2ky9 h HIS 13 Ca -0.28 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.32 2ky9 h HIS 13 Cb 1.18 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.51 2ky9 h HIS 13 CO 0.39 0.54 -0.37 -1.64 0.86 0.00 0.00 177.93 177.71 2ky9 s MET 14 N -3.00 4.12 0.53 2.45 -1.94 -1.26 -5.01 119.30 115.19 2ky9 s MET 14 Ca 0.03 -0.06 0.20 0.00 -1.71 0.00 0.00 55.69 54.15 2ky9 s MET 14 Cb 0.08 -3.54 1.40 0.00 2.01 0.00 0.00 34.83 34.78 2ky9 s MET 14 CO 0.75 0.02 2.16 1.57 -0.01 0.00 0.00 175.02 179.51 2ky9 h LYS 15 N 7.44 0.00 0.00 2.03 -0.00 -1.99 -2.43 116.57 121.62 2ky9 h LYS 15 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.28 2ky9 h LYS 15 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.40 2ky9 h LYS 15 CO 0.68 0.03 0.00 0.41 -0.00 0.00 0.00 179.45 180.57 2ky9 n GLY 16 N -1.37 -1.52 0.09 0.07 0.00 -1.26 -3.54 105.19 97.66 2ky9 n GLY 16 Ca -0.03 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 45.98 2ky9 n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ky9 n MET 17 N -1.95 0.62 -2.03 1.61 2.81 -0.91 -0.43 117.12 116.85 2ky9 n MET 17 Ca 0.05 0.16 -0.42 0.00 -1.81 0.00 0.00 57.70 55.68 2ky9 n MET 17 Cb 0.35 -1.77 -0.03 0.00 -0.71 0.00 0.00 33.22 31.06 2ky9 n MET 17 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2ky9 s LYS 18 N -3.04 4.14 0.00 0.03 2.20 -1.23 -2.20 119.74 119.64 2ky9 s LYS 18 Ca -0.03 2.12 0.00 0.00 -0.36 0.00 0.00 55.97 57.70 2ky9 s LYS 18 Cb 0.09 -3.99 0.00 0.00 -1.51 0.00 0.00 37.83 32.42 2ky9 s LYS 18 CO 0.82 -0.90 0.00 0.41 -0.36 0.00 0.00 175.35 175.32 2ky9 n GLY 19 N 4.18 0.72 3.88 5.54 0.00 -0.02 -4.93 105.19 114.55 2ky9 n GLY 19 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.63 3.27 -0.37 4.61 0.00 -0.93 -4.77 121.76 120.93 2ky9 s ALA 20 Ca 0.00 -0.18 -0.26 0.00 0.00 0.00 0.00 51.96 51.52 2ky9 s ALA 20 Cb 0.00 -2.82 0.02 0.00 0.00 0.00 0.00 23.12 20.32 2ky9 s ALA 20 CO 0.00 -0.24 0.94 -1.21 0.00 0.00 0.00 175.76 175.24 2ky9 s GLU 21 N -4.32 3.85 0.10 0.00 8.01 -1.26 -1.62 118.70 123.45 2ky9 s GLU 21 Ca 0.52 0.59 0.04 0.00 0.01 0.00 0.00 54.97 56.14 2ky9 s GLU 21 Cb -0.10 -3.80 -0.04 0.00 -4.31 0.00 0.00 34.13 25.87 2ky9 s GLU 21 CO 0.38 -0.96 0.05 0.00 0.01 0.00 0.00 175.26 174.75 2ky9 s ALA 22 N 3.50 3.44 -0.14 5.21 0.00 -0.09 -3.79 121.76 129.89 2ky9 s ALA 22 Ca 0.39 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 51.27 2ky9 s ALA 22 Cb -0.12 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.71 2ky9 s ALA 22 CO 0.19 0.70 -0.14 0.99 0.00 0.00 0.00 175.76 177.49 2ky9 s THR 23 N -1.40 1.56 -0.48 0.00 2.01 0.00 -1.63 115.64 115.70 2ky9 s THR 23 Ca 0.28 -0.64 -0.28 0.00 0.31 0.00 0.00 61.69 61.36 2ky9 s THR 23 Cb -0.12 -1.46 -0.00 0.00 0.01 0.00 0.00 72.50 70.93 2ky9 s THR 23 CO 0.21 0.46 1.59 -0.69 -0.69 0.00 0.00 174.62 175.50 2ky9 s VAL 24 N 1.39 3.65 -0.87 3.82 1.01 -0.65 -1.19 120.40 127.56 2ky9 s VAL 24 Ca 0.03 0.59 0.21 0.00 0.00 0.00 0.00 61.98 62.81 2ky9 s VAL 24 Cb -0.13 -4.10 -0.22 0.00 0.00 0.00 0.00 36.38 31.93 2ky9 s VAL 24 CO -0.09 -0.85 0.89 0.35 0.00 0.00 0.00 175.10 175.40 2ky9 n THR 25 N 7.11 0.01 -3.62 3.92 -2.24 -0.11 -1.01 114.28 118.34 2ky9 n THR 25 Ca 0.17 -0.07 -0.15 0.00 -2.27 0.00 0.00 64.05 61.73 2ky9 n THR 25 Cb 0.49 0.80 -0.07 0.00 -2.10 0.00 0.00 70.33 69.45 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 -3.20 -0.46 -0.10 3.38 0.00 -0.66 -4.93 107.32 101.35 2ky9 s GLY 26 Ca 0.06 1.37 -0.00 0.00 0.00 0.00 0.00 44.72 46.15 2ky9 s GLY 26 CO 0.86 1.09 -0.08 0.00 0.00 0.00 0.00 173.10 174.97 2ky9 s ALA 27 N -0.50 1.27 -0.10 3.20 0.00 -1.26 -1.77 121.76 122.59 2ky9 s ALA 27 Ca -0.06 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.42 2ky9 s ALA 27 Cb -0.03 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.27 2ky9 s ALA 27 CO 0.05 -0.33 -0.15 0.71 0.00 0.00 0.00 175.76 176.04 2ky9 s TYR 28 N 1.55 1.92 -0.99 0.00 1.51 -0.38 -5.04 117.35 115.92 2ky9 s TYR 28 Ca 0.02 -0.88 -0.04 0.00 -1.01 0.00 0.00 57.07 55.16 2ky9 s TYR 28 Cb -0.13 -1.39 0.25 0.00 -0.11 0.00 0.00 41.96 40.58 2ky9 s TYR 28 CO -0.06 -0.45 0.97 -0.40 -1.11 0.00 0.00 175.55 174.49 2ky9 n ASP 29 N 4.15 4.86 -4.00 2.29 5.75 -1.26 -1.51 116.55 126.83 2ky9 n ASP 29 Ca -0.19 -3.13 -0.20 0.00 -0.01 0.00 0.00 54.79 51.26 2ky9 n ASP 29 Cb 0.51 -1.18 -0.09 0.00 -1.03 0.00 0.00 41.12 39.34 2ky9 n ASP 29 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2ky9 s THR 30 N -1.51 0.39 -0.10 2.12 -1.32 -1.26 -5.08 115.64 108.88 2ky9 s THR 30 Ca 0.30 -2.00 -0.30 0.00 -1.21 0.00 0.00 61.69 58.48 2ky9 s THR 30 Cb -0.06 -2.50 -0.01 0.00 -1.51 0.00 0.00 72.50 68.41 2ky9 s THR 30 CO -0.09 0.00 1.05 -0.89 -2.21 0.00 0.00 174.62 172.49 2ky9 s THR 31 N -3.53 4.66 0.30 5.08 2.01 -1.26 -4.21 115.64 118.69 2ky9 s THR 31 Ca 0.34 1.94 0.06 0.00 0.31 0.00 0.00 61.69 64.34 2ky9 s THR 31 Cb 0.05 -4.25 -0.02 0.00 0.01 0.00 0.00 72.50 68.29 2ky9 s THR 31 CO 0.17 -0.01 0.43 0.00 -0.69 0.00 0.00 174.62 174.52 2ky9 s ALA 32 N 2.14 4.13 -0.01 7.40 0.00 0.06 -1.85 121.76 133.62 2ky9 s ALA 32 Ca 0.50 -1.39 0.02 0.00 0.00 0.00 0.00 51.96 51.08 2ky9 s ALA 32 Cb -0.19 -1.67 -0.00 0.00 0.00 0.00 0.00 23.12 21.25 2ky9 s ALA 32 CO 0.18 0.06 -0.07 0.71 0.00 0.00 0.00 175.76 176.64 2ky9 s TYR 33 N -2.12 0.70 -0.44 0.00 2.02 -0.41 -1.08 117.35 116.03 2ky9 s TYR 33 Ca 0.41 -0.15 -0.16 0.00 -0.37 0.00 0.00 57.07 56.81 2ky9 s TYR 33 Cb -0.09 -0.49 0.04 0.00 -0.40 0.00 0.00 41.96 41.02 2ky9 s TYR 33 CO 0.30 -0.05 0.38 0.08 -1.57 0.00 0.00 175.55 174.70 2ky9 s VAL 34 N 0.03 5.20 0.06 0.71 1.01 -0.74 -4.23 120.40 122.42 2ky9 s VAL 34 Ca 0.00 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.31 2ky9 s VAL 34 Cb -0.05 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 2ky9 s VAL 34 CO -0.00 -0.47 -0.26 0.68 0.00 0.00 0.00 175.10 175.05 2ky9 s VAL 35 N 1.79 2.18 -0.10 2.92 -7.23 -1.25 -1.32 120.40 117.38 2ky9 s VAL 35 Ca 0.06 -1.44 0.02 0.00 -1.81 0.00 0.00 61.98 58.81 2ky9 s VAL 35 Cb -0.21 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 34.85 2ky9 s VAL 35 CO 0.09 0.33 -0.15 -0.44 -0.31 0.00 0.00 175.10 174.62 2ky9 s SER 36 N -1.36 3.85 0.07 4.85 0.01 -0.91 -0.65 113.70 119.55 2ky9 s SER 36 Ca 0.12 -0.33 -0.12 0.00 1.31 0.00 0.00 55.95 56.93 2ky9 s SER 36 Cb -0.10 -1.34 0.01 0.00 0.21 0.00 0.00 66.02 64.80 2ky9 s SER 36 CO 0.03 0.22 0.26 -0.72 0.41 0.00 0.00 173.24 173.43 2ky9 s TYR 37 N 0.04 -0.01 -0.34 2.43 1.13 -0.74 -1.25 117.35 118.62 2ky9 s TYR 37 Ca -0.06 -0.26 -0.09 0.00 -1.41 0.00 0.00 57.07 55.25 2ky9 s TYR 37 Cb -0.15 0.04 0.02 0.00 -1.10 0.00 0.00 41.96 40.78 2ky9 s TYR 37 CO 0.05 -0.53 0.16 0.99 -2.51 0.00 0.00 175.55 173.71 2ky9 s THR 38 N -3.13 4.38 -0.09 -3.49 2.01 -1.20 -1.04 115.64 113.08 2ky9 s THR 38 Ca -0.01 -0.77 -0.33 0.00 0.31 0.00 0.00 61.69 60.89 2ky9 s THR 38 Cb 0.01 -3.37 -0.11 0.00 0.01 0.00 0.00 72.50 69.04 2ky9 s THR 38 CO -0.07 -0.11 1.95 -0.81 -0.69 0.00 0.00 174.62 174.89 2ky9 n PRO 39 N 4.95 2.25 0.14 4.92 -0.04 -1.26 -3.80 135.00 142.17 2ky9 n PRO 39 Ca -0.13 0.81 0.10 0.00 -0.04 0.00 0.00 63.50 64.24 2ky9 n PRO 39 Cb 0.47 -2.76 0.52 0.00 -0.04 0.00 0.00 33.50 31.68 2ky9 n PRO 39 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2ky9 n THR 40 N 5.56 1.13 1.59 0.52 5.66 -1.09 -1.50 114.28 126.15 2ky9 n THR 40 Ca 0.24 0.67 0.02 0.00 -3.05 0.00 0.00 64.05 61.93 2ky9 n THR 40 Cb 0.33 -1.67 0.05 0.00 -1.55 0.00 0.00 70.33 67.49 2ky9 n THR 40 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2ky9 n ASN 41 N -2.17 0.65 -0.86 1.09 4.05 -1.26 -4.89 115.26 111.89 2ky9 n ASN 41 Ca -0.01 -2.01 -0.00 0.00 0.45 0.00 0.00 54.58 53.01 2ky9 n ASN 41 Cb 0.05 -0.11 0.00 0.00 1.23 0.00 0.00 39.78 40.95 2ky9 n ASN 41 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2ky9 n GLY 42 N 0.62 0.59 3.10 8.20 0.00 -0.56 -5.05 105.19 112.10 2ky9 n GLY 42 Ca 0.04 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.85 2.75 3.67 -0.02 0.00 -1.11 -5.08 105.19 104.56 2ky9 n GLY 43 Ca -0.00 -2.27 -0.42 0.00 0.00 0.00 0.00 46.02 43.33 2ky9 n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ky9 s GLN 44 N -3.85 4.19 -0.11 1.61 -1.52 -1.26 -4.57 119.66 114.15 2ky9 s GLN 44 Ca 0.27 2.29 -0.30 0.00 -1.95 0.00 0.00 55.36 55.67 2ky9 s GLN 44 Cb -0.02 -3.82 -0.08 0.00 -0.22 0.00 0.00 33.01 28.87 2ky9 s GLN 44 CO 0.17 -0.80 2.08 -2.13 -0.25 0.00 0.00 175.29 174.36 2ky9 n ARG 45 N 6.44 2.31 -2.97 2.91 0.63 -1.26 -4.53 116.66 120.19 2ky9 n ARG 45 Ca 0.17 0.77 -0.41 0.00 -0.92 0.00 0.00 57.85 57.45 2ky9 n ARG 45 Cb 0.42 -3.03 -0.05 0.00 0.45 0.00 0.00 32.46 30.25 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 6.18 4.89 -0.25 5.15 1.01 -0.21 -4.94 120.40 132.23 2ky9 s VAL 46 Ca 0.96 1.42 -0.17 0.00 0.00 0.00 0.00 61.98 64.18 2ky9 s VAL 46 Cb -0.45 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 31.85 2ky9 s VAL 46 CO 0.41 -0.03 0.49 -0.62 0.00 0.00 0.00 175.10 175.35 2ky9 s ASP 47 N 1.36 6.42 -1.15 3.32 2.15 -1.26 -1.78 116.67 125.73 2ky9 s ASP 47 Ca 0.32 0.51 -0.04 0.00 0.43 0.00 0.00 52.55 53.77 2ky9 s ASP 47 Cb -0.15 -2.27 -0.03 0.00 -0.30 0.00 0.00 42.92 40.17 2ky9 s ASP 47 CO 0.08 -0.25 0.92 1.41 -0.17 0.00 0.00 175.17 177.16 2ky9 n HIS 48 N 5.38 -2.26 -1.98 -5.34 8.25 -1.12 -4.96 115.22 113.20 2ky9 n HIS 48 Ca -0.05 0.86 -0.42 0.00 -0.26 0.00 0.00 57.72 57.86 2ky9 n HIS 48 Cb 0.50 -4.50 -0.03 0.00 1.12 0.00 0.00 29.99 27.08 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 -3.42 3.05 0.04 4.41 2.46 0.18 -4.82 115.29 117.20 2ky9 s HIS 49 Ca 0.22 0.81 0.02 0.00 0.47 0.00 0.00 55.06 56.58 2ky9 s HIS 49 Cb -0.04 -3.87 -0.02 0.00 -0.13 0.00 0.00 32.58 28.52 2ky9 s HIS 49 CO 0.75 -3.04 -0.07 0.15 -2.47 0.00 0.00 174.74 170.06 2ky9 s LYS 50 N 0.51 0.48 -0.16 2.88 1.02 -1.26 -3.89 119.74 119.33 2ky9 s LYS 50 Ca 0.65 -0.73 -0.05 0.00 0.02 0.00 0.00 55.97 55.87 2ky9 s LYS 50 Cb -0.42 -0.20 -0.03 0.00 -0.52 0.00 0.00 37.83 36.66 2ky9 s LYS 50 CO 0.36 0.03 -0.01 -1.58 -0.92 0.00 0.00 175.35 173.23 2ky9 s TRP 51 N -1.43 3.10 0.01 3.18 0.52 -1.25 -4.95 118.94 118.13 2ky9 s TRP 51 Ca -0.11 -0.15 0.08 0.00 0.02 0.00 0.00 56.10 55.93 2ky9 s TRP 51 Cb -0.10 -1.98 -0.03 0.00 -1.15 0.00 0.00 33.47 30.22 2ky9 s TRP 51 CO -0.00 0.06 -0.24 0.14 0.02 0.00 0.00 176.95 176.93 2ky9 s VAL 52 N 0.25 2.30 0.29 4.03 -7.23 -1.26 -3.15 120.40 115.64 2ky9 s VAL 52 Ca -0.01 -1.21 0.01 0.00 -1.81 0.00 0.00 61.98 58.96 2ky9 s VAL 52 Cb -0.13 -1.88 0.01 0.00 0.56 0.00 0.00 36.38 34.94 2ky9 s VAL 52 CO 0.02 0.45 0.07 2.30 -0.31 0.00 0.00 175.10 177.63 2ky9 n ILE 53 N 2.00 0.00 -0.34 -0.62 -5.35 -1.26 -1.28 119.36 112.51 2ky9 n ILE 53 Ca -0.17 -1.30 0.31 0.00 -0.27 0.00 0.00 62.75 61.32 2ky9 n ILE 53 Cb 0.52 0.12 0.64 0.00 -1.74 0.00 0.00 39.64 39.18 2ky9 n ILE 53 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 2ky9 h GLN 54 N 0.00 0.16 0.00 6.28 4.15 -1.71 -2.20 115.11 121.79 2ky9 h GLN 54 Ca -0.22 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.09 2ky9 h GLN 54 Cb 0.71 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 2ky9 h GLN 54 CO 0.37 0.11 -0.44 1.49 -1.93 0.00 0.00 178.83 178.42 2ky9 h GLU 55 N 0.17 0.00 0.00 1.69 4.57 -1.96 -3.23 114.58 115.82 2ky9 h GLU 55 Ca 0.61 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.79 2ky9 h GLU 55 Cb 2.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.61 2ky9 h GLU 55 CO -0.16 0.44 -0.05 0.39 -1.18 0.00 0.00 179.01 178.45 2ky9 n GLU 56 N -3.85 0.05 -4.59 1.92 4.71 -0.83 -4.84 120.64 113.22 2ky9 n GLU 56 Ca -0.01 0.04 -0.34 0.00 -0.01 0.00 0.00 57.16 56.84 2ky9 n GLU 56 Cb 0.49 -1.56 -0.11 0.00 -1.01 0.00 0.00 31.44 29.25 2ky9 n GLU 56 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2ky9 s ILE 57 N -3.02 3.75 0.02 -3.67 1.01 -1.22 -1.17 121.20 116.90 2ky9 s ILE 57 Ca 0.13 -0.45 -0.26 0.00 0.00 0.00 0.00 60.65 60.07 2ky9 s ILE 57 Cb 0.18 -2.55 -0.17 0.00 0.01 0.00 0.00 42.46 39.93 2ky9 s ILE 57 CO 0.56 0.59 1.36 0.50 0.00 0.00 0.00 174.94 177.94 2ky9 h LYS 58 N 5.39 -0.30 0.00 2.79 3.64 -1.60 -3.30 116.57 123.19 2ky9 h LYS 58 Ca -0.47 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2ky9 h LYS 58 Cb 1.18 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2ky9 h LYS 58 CO 0.53 -0.01 0.00 -0.25 -2.27 0.00 0.00 179.45 177.45 2ky9 n ASP 59 N -5.11 0.00 -0.37 4.20 9.92 -1.26 -4.22 116.55 119.71 2ky9 n ASP 59 Ca -0.09 -0.41 -0.09 0.00 -0.53 0.00 0.00 54.79 53.67 2ky9 n ASP 59 Cb 0.23 -0.17 -0.07 0.00 -0.64 0.00 0.00 41.12 40.47 2ky9 n ASP 59 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ky9 h ALA 60 N 3.43 -0.43 -1.31 2.24 0.00 -1.85 -3.47 119.26 117.87 2ky9 h ALA 60 Ca 0.00 0.14 -0.32 0.00 0.00 0.00 0.00 54.91 54.73 2ky9 h ALA 60 Cb 0.14 1.27 -0.09 0.00 0.00 0.00 0.00 17.79 19.11 2ky9 h ALA 60 CO 0.00 -0.91 -0.33 0.41 0.00 0.00 0.00 179.25 178.42 2ky9 n GLY 61 N -1.31 0.90 2.66 0.00 0.00 -1.26 -1.59 105.19 104.59 2ky9 n GLY 61 Ca 0.03 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.72 -5.45 -4.81 1.61 9.92 -1.26 -5.00 116.55 110.83 2ky9 n ASP 62 Ca -0.17 0.35 -0.22 0.00 -0.53 0.00 0.00 54.79 54.22 2ky9 n ASP 62 Cb 0.56 -4.21 -0.05 0.00 -0.64 0.00 0.00 41.12 36.79 2ky9 n ASP 62 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2ky9 s LYS 63 N -3.17 2.51 -0.40 -1.24 -2.85 -0.62 -5.10 119.74 108.88 2ky9 s LYS 63 Ca 0.00 -1.50 -0.24 0.00 -1.00 0.00 0.00 55.97 53.23 2ky9 s LYS 63 Cb 0.00 -2.31 0.02 0.00 -2.06 0.00 0.00 37.83 33.48 2ky9 s LYS 63 CO 0.00 -0.01 0.82 0.99 0.10 0.00 0.00 175.35 177.25 2ky9 s THR 64 N -2.42 4.65 -0.15 3.79 2.01 -1.26 -4.93 115.64 117.33 2ky9 s THR 64 Ca 0.42 0.76 -0.29 0.00 0.31 0.00 0.00 61.69 62.89 2ky9 s THR 64 Cb -0.03 -4.29 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 2ky9 s THR 64 CO 0.25 -0.59 1.26 -0.76 -0.69 0.00 0.00 174.62 174.09 2ky9 s LEU 65 N 3.29 4.19 0.19 4.42 1.43 -1.26 -5.03 118.68 125.92 2ky9 s LEU 65 Ca 0.32 1.71 -0.01 0.00 -1.03 0.00 0.00 54.13 55.12 2ky9 s LEU 65 Cb -0.12 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 2ky9 s LEU 65 CO 0.20 -0.74 0.39 -1.10 0.23 0.00 0.00 176.35 175.33 2ky9 s GLN 66 N 3.33 3.53 -0.32 1.70 -0.21 -1.26 -4.52 119.66 121.90 2ky9 s GLN 66 Ca 0.55 -0.32 -0.38 0.00 0.02 0.00 0.00 55.36 55.23 2ky9 s GLN 66 Cb -0.22 -2.84 -0.13 0.00 1.00 0.00 0.00 33.01 30.81 2ky9 s GLN 66 CO 0.16 0.41 2.02 -2.30 -2.12 0.00 0.00 175.29 173.46 2ky9 n PRO 67 N -0.59 1.08 0.00 2.91 -0.02 -1.26 -1.42 135.00 135.70 2ky9 n PRO 67 Ca -0.05 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 2ky9 n PRO 67 Cb 0.54 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 5.75 2.26 3.73 -1.23 0.00 -0.66 -5.04 105.19 110.00 2ky9 n GLY 68 Ca 0.37 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.78 6.89 -0.21 1.61 1.01 -0.50 -4.88 116.67 118.80 2ky9 s ASP 69 Ca 0.00 2.36 -0.04 0.00 0.71 0.00 0.00 52.55 55.58 2ky9 s ASP 69 Cb 0.00 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 2ky9 s ASP 69 CO 0.00 -0.55 -0.04 -1.58 0.21 0.00 0.00 175.17 173.21 2ky9 s GLN 70 N 0.23 3.43 0.22 8.23 0.74 -1.26 -1.24 119.66 130.00 2ky9 s GLN 70 Ca 0.59 -0.61 0.04 0.00 0.05 0.00 0.00 55.36 55.43 2ky9 s GLN 70 Cb -0.36 -3.01 -0.05 0.00 1.10 0.00 0.00 33.01 30.69 2ky9 s GLN 70 CO 0.36 -0.14 -0.02 0.14 -0.55 0.00 0.00 175.29 175.07 2ky9 s VAL 71 N 1.35 1.06 -0.04 1.34 -7.23 0.02 -4.98 120.40 111.92 2ky9 s VAL 71 Ca 0.04 -2.04 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 2ky9 s VAL 71 Cb -0.14 -2.25 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 2ky9 s VAL 71 CO -0.02 -0.40 -0.07 -0.63 -0.31 0.00 0.00 175.10 173.67 2ky9 s ILE 72 N -3.40 3.70 -0.19 -0.62 -1.09 -1.26 -0.92 121.20 117.42 2ky9 s ILE 72 Ca 0.26 -0.58 -0.21 0.00 -2.23 0.00 0.00 60.65 57.89 2ky9 s ILE 72 Cb 0.05 -2.55 -0.02 0.00 -1.58 0.00 0.00 42.46 38.36 2ky9 s ILE 72 CO 0.07 0.53 0.65 -0.76 -1.23 0.00 0.00 174.94 174.20 2ky9 s LEU 73 N -1.03 4.15 0.01 2.97 1.43 -1.23 -1.52 118.68 123.47 2ky9 s LEU 73 Ca 0.14 0.87 0.13 0.00 -1.03 0.00 0.00 54.13 54.24 2ky9 s LEU 73 Cb -0.11 -2.92 -0.19 0.00 0.03 0.00 0.00 46.19 42.99 2ky9 s LEU 73 CO 0.04 -0.28 0.80 -0.33 0.23 0.00 0.00 176.35 176.80 2ky9 h GLU 74 N 7.45 0.00 -7.05 1.70 4.39 -1.47 -2.47 114.58 117.13 2ky9 h GLU 74 Ca -0.31 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 58.89 2ky9 h GLU 74 Cb 1.14 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.83 2ky9 h GLU 74 CO 0.78 0.49 0.22 0.00 -1.16 0.00 0.00 179.01 179.34 2ky9 s ALA 75 N -2.71 3.28 -0.08 3.43 0.00 -1.03 -4.89 121.76 119.78 2ky9 s ALA 75 Ca -0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 51.96 51.62 2ky9 s ALA 75 Cb 0.08 -2.79 0.04 0.00 0.00 0.00 0.00 23.12 20.46 2ky9 s ALA 75 CO 0.82 -0.37 0.16 0.45 0.00 0.00 0.00 175.76 176.82 2ky9 s SER 76 N -3.86 0.31 0.03 0.00 0.15 -1.26 -3.90 113.70 105.16 2ky9 s SER 76 Ca 0.51 0.33 0.23 0.00 0.70 0.00 0.00 55.95 57.71 2ky9 s SER 76 Cb -0.10 0.24 -0.00 0.00 -1.71 0.00 0.00 66.02 64.45 2ky9 s SER 76 CO 0.44 -0.20 0.99 1.41 1.20 0.00 0.00 173.24 177.08 2ky9 n HIS 77 N 4.77 0.18 -3.90 3.44 8.25 -1.26 -4.97 115.22 121.73 2ky9 n HIS 77 Ca -0.16 0.05 -0.10 0.00 -0.26 0.00 0.00 57.72 57.25 2ky9 n HIS 77 Cb 0.51 -0.35 -0.00 0.00 1.12 0.00 0.00 29.99 31.27 2ky9 n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ky9 s MET 78 N -3.17 2.07 -0.41 -0.41 0.23 -1.26 -5.10 119.30 111.25 2ky9 s MET 78 Ca 0.04 -1.47 -0.27 0.00 -1.03 0.00 0.00 55.69 52.96 2ky9 s MET 78 Cb 0.15 0.57 -0.04 0.00 -1.53 0.00 0.00 34.83 33.97 2ky9 s MET 78 CO 0.82 -0.93 2.11 0.21 -2.03 0.00 0.00 175.02 175.19 2ky9 s LYS 79 N -2.76 2.76 0.00 3.16 2.20 -1.26 -2.79 119.74 121.05 2ky9 s LYS 79 Ca 0.19 1.41 0.00 0.00 -0.36 0.00 0.00 55.97 57.22 2ky9 s LYS 79 Cb -0.04 -4.40 0.00 0.00 -1.51 0.00 0.00 37.83 31.88 2ky9 s LYS 79 CO 0.13 -2.53 0.00 0.41 -0.36 0.00 0.00 175.35 173.00 2ky9 n GLY 80 N 5.74 0.83 0.18 5.54 0.00 -1.26 -4.85 105.19 111.37 2ky9 n GLY 80 Ca 0.28 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 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 2.14 0.60 -6.66 1.61 -1.53 -1.88 -2.88 114.93 106.33 2ky9 h MET 81 Ca 0.00 -0.54 -0.53 0.00 -3.44 0.00 0.00 59.70 55.19 2ky9 h MET 81 Cb 0.00 0.13 0.04 0.00 -0.55 0.00 0.00 31.60 31.22 2ky9 h MET 81 CO 0.00 1.16 0.77 0.21 0.14 0.00 0.00 176.91 179.20 2ky9 s LYS 82 N -3.54 4.28 0.00 0.39 2.20 -1.25 -2.67 119.74 119.15 2ky9 s LYS 82 Ca -0.12 2.25 0.00 0.00 -0.36 0.00 0.00 55.97 57.74 2ky9 s LYS 82 Cb 0.06 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.22 2ky9 s LYS 82 CO 0.86 -0.46 0.00 0.41 -0.36 0.00 0.00 175.35 175.81 2ky9 n GLY 83 N 2.89 1.09 3.77 5.54 0.00 -0.93 -4.80 105.19 112.75 2ky9 n GLY 83 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.39 3.34 -0.39 4.61 0.00 -1.09 -4.71 121.76 121.13 2ky9 s ALA 84 Ca 0.00 1.01 -0.28 0.00 0.00 0.00 0.00 51.96 52.70 2ky9 s ALA 84 Cb 0.00 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.76 2ky9 s ALA 84 CO 0.00 -0.41 1.03 0.99 0.00 0.00 0.00 175.76 177.37 2ky9 s THR 85 N -1.25 4.45 0.11 0.00 2.01 -1.25 -3.51 115.64 116.19 2ky9 s THR 85 Ca 0.50 1.33 0.06 0.00 0.31 0.00 0.00 61.69 63.89 2ky9 s THR 85 Cb -0.33 -4.44 -0.04 0.00 0.01 0.00 0.00 72.50 67.70 2ky9 s THR 85 CO 0.43 -0.67 -0.03 0.00 -0.69 0.00 0.00 174.62 173.66 2ky9 s ALA 86 N 3.82 3.20 -0.08 7.40 0.00 -0.10 -3.25 121.76 132.75 2ky9 s ALA 86 Ca 0.43 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 51.23 2ky9 s ALA 86 Cb -0.11 -1.09 0.01 0.00 0.00 0.00 0.00 23.12 21.93 2ky9 s ALA 86 CO 0.22 0.65 -0.17 -2.00 0.00 0.00 0.00 175.76 174.46 2ky9 s GLU 87 N -2.38 2.25 -0.57 0.00 2.12 -0.38 -0.80 118.70 118.93 2ky9 s GLU 87 Ca 0.25 -0.61 -0.27 0.00 0.36 0.00 0.00 54.97 54.70 2ky9 s GLU 87 Cb -0.11 -1.77 -0.02 0.00 0.26 0.00 0.00 34.13 32.49 2ky9 s GLU 87 CO 0.17 0.10 1.83 0.42 -0.54 0.00 0.00 175.26 177.25 2ky9 s ILE 88 N 0.49 3.39 0.26 -3.70 -1.09 -0.38 -2.14 121.20 118.03 2ky9 s ILE 88 Ca -0.16 0.27 0.05 0.00 -2.23 0.00 0.00 60.65 58.58 2ky9 s ILE 88 Cb -0.16 -3.92 -0.01 0.00 -1.58 0.00 0.00 42.46 36.78 2ky9 s ILE 88 CO 0.06 -0.85 1.61 0.44 -1.23 0.00 0.00 174.94 174.97 2ky9 h ASP 89 N 14.50 0.30 -4.12 3.58 5.19 -1.54 -1.76 116.42 132.56 2ky9 h ASP 89 Ca -0.27 -0.15 0.08 0.00 -0.62 0.00 0.00 57.03 56.08 2ky9 h ASP 89 Cb 1.16 -0.08 -0.23 0.00 0.18 0.00 0.00 39.33 40.36 2ky9 h ASP 89 CO 1.19 0.76 0.55 -0.55 -3.12 0.00 0.00 179.24 178.07 2ky9 s SER 90 N -6.89 -0.36 -0.18 6.45 0.15 -1.20 -4.72 113.70 106.95 2ky9 s SER 90 Ca -0.05 0.39 -0.05 0.00 0.70 0.00 0.00 55.95 56.94 2ky9 s SER 90 Cb 0.12 0.30 -0.03 0.00 -1.71 0.00 0.00 66.02 64.70 2ky9 s SER 90 CO 0.79 -0.34 0.01 0.00 1.20 0.00 0.00 173.24 174.90 2ky9 s ALA 91 N -1.16 3.16 -0.16 5.45 0.00 -1.26 -1.80 121.76 125.99 2ky9 s ALA 91 Ca -0.01 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 2ky9 s ALA 91 Cb -0.00 -1.75 -0.01 0.00 0.00 0.00 0.00 23.12 21.35 2ky9 s ALA 91 CO 0.01 0.10 -0.11 -2.00 0.00 0.00 0.00 175.76 173.76 2ky9 s GLU 92 N 0.54 3.34 -0.74 0.00 2.56 -0.24 -4.99 118.70 119.17 2ky9 s GLU 92 Ca -0.00 -0.68 -0.18 0.00 0.00 0.00 0.00 54.97 54.11 2ky9 s GLU 92 Cb -0.14 -2.74 0.13 0.00 2.00 0.00 0.00 34.13 33.38 2ky9 s GLU 92 CO 0.02 0.04 0.85 0.15 -0.56 0.00 0.00 175.26 175.76 2ky9 s LYS 93 N 0.80 3.32 0.06 4.30 -0.14 -1.26 -0.76 119.74 126.06 2ky9 s LYS 93 Ca -0.04 -1.65 0.01 0.00 -1.36 0.00 0.00 55.97 52.93 2ky9 s LYS 93 Cb -0.15 -4.48 -0.03 0.00 -1.68 0.00 0.00 37.83 31.49 2ky9 s LYS 93 CO 0.01 -1.58 -0.06 -0.08 -0.76 0.00 0.00 175.35 172.88 2ky9 s THR 94 N 2.26 0.48 -0.15 2.17 -1.32 -1.26 -5.03 115.64 112.79 2ky9 s THR 94 Ca 0.19 -1.41 -0.23 0.00 -1.21 0.00 0.00 61.69 59.03 2ky9 s THR 94 Cb -0.15 -1.01 -0.02 0.00 -1.51 0.00 0.00 72.50 69.81 2ky9 s THR 94 CO -0.01 -0.63 0.74 -0.89 -2.21 0.00 0.00 174.62 171.61 2ky9 s THR 95 N -2.42 4.97 -0.09 5.08 2.01 -1.26 -4.31 115.64 119.62 2ky9 s THR 95 Ca -0.02 1.45 0.02 0.00 0.31 0.00 0.00 61.69 63.45 2ky9 s THR 95 Cb -0.03 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 2ky9 s THR 95 CO -0.03 0.12 -0.14 0.68 -0.69 0.00 0.00 174.62 174.56 2ky9 s VAL 96 N 1.68 3.01 0.01 3.82 -7.23 -0.57 -3.49 120.40 117.63 2ky9 s VAL 96 Ca 0.35 -0.71 0.06 0.00 -1.81 0.00 0.00 61.98 59.88 2ky9 s VAL 96 Cb -0.17 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.53 2ky9 s VAL 96 CO 0.14 0.56 -0.18 -0.31 -0.31 0.00 0.00 175.10 174.99 2ky9 s TYR 97 N -0.17 2.56 -0.33 2.82 2.02 -0.18 -1.25 117.35 122.81 2ky9 s TYR 97 Ca -0.00 -0.26 -0.21 0.00 -0.37 0.00 0.00 57.07 56.23 2ky9 s TYR 97 Cb -0.13 -1.51 -0.00 0.00 -0.40 0.00 0.00 41.96 39.91 2ky9 s TYR 97 CO 0.03 0.19 0.68 1.41 -1.57 0.00 0.00 175.55 176.29 2ky9 s MET 98 N -1.13 3.80 0.17 -0.62 -2.45 -0.73 -3.21 119.30 115.12 2ky9 s MET 98 Ca 0.13 0.24 0.10 0.00 -1.25 0.00 0.00 55.69 54.92 2ky9 s MET 98 Cb -0.10 -3.77 -0.04 0.00 1.25 0.00 0.00 34.83 32.16 2ky9 s MET 98 CO 0.03 -0.69 -0.20 0.14 1.05 0.00 0.00 175.02 175.35 2ky9 s VAL 99 N 2.77 2.60 -0.16 10.11 -7.23 -1.10 -0.93 120.40 126.46 2ky9 s VAL 99 Ca 0.27 -1.82 0.01 0.00 -1.81 0.00 0.00 61.98 58.63 2ky9 s VAL 99 Cb -0.14 -2.24 0.02 0.00 0.56 0.00 0.00 36.38 34.58 2ky9 s VAL 99 CO 0.14 -0.05 -0.19 -0.62 -0.31 0.00 0.00 175.10 174.07 2ky9 s ASP 100 N -2.53 2.99 0.36 4.85 -1.08 -0.33 -1.34 116.67 119.59 2ky9 s ASP 100 Ca 0.20 -0.59 -0.07 0.00 -0.52 0.00 0.00 52.55 51.57 2ky9 s ASP 100 Cb -0.09 -1.38 0.02 0.00 -1.46 0.00 0.00 42.92 40.01 2ky9 s ASP 100 CO 0.10 0.01 0.59 -0.72 0.52 0.00 0.00 175.17 175.68 2ky9 s TYR 101 N 1.20 0.73 -0.21 -5.34 1.13 -0.76 -0.82 117.35 113.28 2ky9 s TYR 101 Ca 0.01 -1.12 0.00 0.00 -1.41 0.00 0.00 57.07 54.56 2ky9 s TYR 101 Cb -0.14 0.26 0.03 0.00 -1.10 0.00 0.00 41.96 41.00 2ky9 s TYR 101 CO -0.09 -1.31 -0.15 0.99 -2.51 0.00 0.00 175.55 172.48 2ky9 s THR 102 N -2.75 2.33 0.01 -3.49 2.01 -1.25 -0.73 115.64 111.77 2ky9 s THR 102 Ca 0.25 -1.03 -0.30 0.00 0.31 0.00 0.00 61.69 60.92 2ky9 s THR 102 Cb -0.02 -2.09 -0.08 0.00 0.01 0.00 0.00 72.50 70.31 2ky9 s THR 102 CO 0.17 0.37 1.95 -0.55 -0.69 0.00 0.00 174.62 175.88 2ky9 s SER 103 N 1.28 6.40 0.17 3.53 0.15 0.18 -4.54 113.70 120.87 2ky9 s SER 103 Ca 0.02 2.57 -0.14 0.00 0.70 0.00 0.00 55.95 59.09 2ky9 s SER 103 Cb -0.15 -2.53 0.07 0.00 -1.71 0.00 0.00 66.02 61.70 2ky9 s SER 103 CO -0.09 -1.11 1.82 0.71 1.20 0.00 0.00 173.24 175.77 2ky9 h THR 104 N 5.74 1.09 0.23 6.45 1.35 -1.07 0.12 112.91 126.84 2ky9 h THR 104 Ca -0.48 -0.22 -0.01 0.00 -0.55 0.00 0.00 66.41 65.15 2ky9 h THR 104 Cb 1.23 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 2ky9 h THR 104 CO 0.94 0.12 -0.11 0.74 -0.25 0.00 0.00 175.52 176.96 2ky9 h THR 105 N 0.64 0.83 0.00 6.82 2.02 -1.90 -3.22 112.91 118.11 2ky9 h THR 105 Ca 0.19 -0.40 -0.08 0.00 0.77 0.00 0.00 66.41 66.89 2ky9 h THR 105 Cb -0.03 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 2ky9 h THR 105 CO -0.06 0.09 -0.39 0.28 0.37 0.00 0.00 175.52 175.81 2ky9 h SER 106 N -0.52 0.00 -0.35 4.18 0.02 -1.88 -3.48 113.55 111.53 2ky9 h SER 106 Ca -0.03 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.77 2ky9 h SER 106 Cb 0.38 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.87 2ky9 h SER 106 CO 0.05 0.39 -0.14 0.61 -1.14 0.00 0.00 176.83 176.61 2ky9 n GLY 107 N 1.09 0.91 3.66 -3.77 0.00 0.43 -5.03 105.19 102.47 2ky9 n GLY 107 Ca 0.02 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.34 2.74 -0.57 1.61 2.12 -1.19 -4.89 118.70 116.19 2ky9 s GLU 108 Ca 0.00 -0.62 -0.28 0.00 0.36 0.00 0.00 54.97 54.43 2ky9 s GLU 108 Cb 0.00 -2.64 0.02 0.00 0.26 0.00 0.00 34.13 31.77 2ky9 s GLU 108 CO 0.00 0.63 1.37 0.15 -0.54 0.00 0.00 175.26 176.86 2ky9 s LYS 109 N -1.45 3.34 -0.43 4.30 1.02 -1.26 -0.65 119.74 124.60 2ky9 s LYS 109 Ca 0.18 0.39 -0.22 0.00 0.02 0.00 0.00 55.97 56.35 2ky9 s LYS 109 Cb -0.11 -4.11 0.02 0.00 -0.52 0.00 0.00 37.83 33.11 2ky9 s LYS 109 CO 0.09 -1.90 0.69 0.08 -0.92 0.00 0.00 175.35 173.39 2ky9 s VAL 110 N 5.84 4.77 0.04 3.17 1.01 0.09 -4.96 120.40 130.36 2ky9 s VAL 110 Ca 0.50 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.81 2ky9 s VAL 110 Cb -0.10 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 2ky9 s VAL 110 CO 0.25 -0.61 -0.11 -0.54 0.00 0.00 0.00 175.10 174.09 2ky9 s LYS 111 N 2.98 2.31 -1.54 2.72 1.02 -1.26 -1.83 119.74 124.14 2ky9 s LYS 111 Ca 0.25 -0.87 -0.03 0.00 0.02 0.00 0.00 55.97 55.34 2ky9 s LYS 111 Cb -0.13 -2.36 0.01 0.00 -0.52 0.00 0.00 37.83 34.83 2ky9 s LYS 111 CO 0.20 0.56 0.27 0.09 -0.92 0.00 0.00 175.35 175.55 2ky9 n ASN 112 N 1.33 -5.45 -4.74 2.83 4.13 -1.13 -4.95 115.26 107.30 2ky9 n ASN 112 Ca -0.15 -0.12 -0.42 0.00 1.68 0.00 0.00 54.58 55.58 2ky9 n ASN 112 Cb 0.52 -4.49 -0.02 0.00 -1.54 0.00 0.00 39.78 34.25 2ky9 n ASN 112 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 2ky9 s HIS 113 N -3.01 3.01 -0.02 3.10 2.46 -0.45 -4.78 115.29 115.59 2ky9 s HIS 113 Ca 0.15 0.88 0.01 0.00 0.47 0.00 0.00 55.06 56.57 2ky9 s HIS 113 Cb -0.07 -3.88 0.01 0.00 -0.13 0.00 0.00 32.58 28.51 2ky9 s HIS 113 CO 0.19 -2.99 -0.04 0.15 -2.47 0.00 0.00 174.74 169.58 2ky9 s LYS 114 N 0.10 0.56 0.20 2.88 1.02 -1.26 -2.72 119.74 120.52 2ky9 s LYS 114 Ca 0.63 -0.12 0.09 0.00 0.02 0.00 0.00 55.97 56.60 2ky9 s LYS 114 Cb -0.43 -0.59 -0.04 0.00 -0.52 0.00 0.00 37.83 36.25 2ky9 s LYS 114 CO 0.40 0.00 -0.10 -1.58 -0.92 0.00 0.00 175.35 173.15 2ky9 s TRP 115 N 0.45 2.59 0.23 3.18 0.52 -1.19 -4.89 118.94 119.83 2ky9 s TRP 115 Ca -0.05 -0.24 0.08 0.00 0.02 0.00 0.00 56.10 55.91 2ky9 s TRP 115 Cb -0.09 -1.24 -0.05 0.00 -1.15 0.00 0.00 33.47 30.94 2ky9 s TRP 115 CO -0.00 0.54 -0.14 0.14 0.02 0.00 0.00 176.95 177.51 2ky9 s VAL 116 N -1.85 1.85 0.31 4.03 -7.23 -1.20 -3.77 120.40 112.55 2ky9 s VAL 116 Ca 0.26 -2.23 0.10 0.00 -1.81 0.00 0.00 61.98 58.30 2ky9 s VAL 116 Cb -0.08 -2.17 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 2ky9 s VAL 116 CO 0.15 -0.50 -0.09 0.42 -0.31 0.00 0.00 175.10 174.77 2ky9 s THR 117 N -2.90 2.55 0.33 5.32 -4.23 -1.26 -1.01 115.64 114.44 2ky9 s THR 117 Ca 0.25 -2.18 0.02 0.00 -1.18 0.00 0.00 61.69 58.60 2ky9 s THR 117 Cb -0.01 -2.59 0.23 0.00 1.34 0.00 0.00 72.50 71.46 2ky9 s THR 117 CO 0.09 -0.29 1.95 -0.08 -0.54 0.00 0.00 174.62 175.76 2ky9 h GLU 118 N 2.03 0.79 -0.16 3.99 4.81 -1.90 -1.48 114.58 122.66 2ky9 h GLU 118 Ca -0.42 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 58.65 2ky9 h GLU 118 Cb 1.25 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 2ky9 h GLU 118 CO 0.65 0.59 -0.24 0.22 -0.73 0.00 0.00 179.01 179.51 2ky9 h ASP 119 N 0.80 0.27 0.83 1.04 3.58 -1.97 -2.55 116.42 118.42 2ky9 h ASP 119 Ca 0.20 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.57 2ky9 h ASP 119 Cb 0.05 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.02 2ky9 h ASP 119 CO -0.03 0.52 -0.16 1.21 -2.88 0.00 0.00 179.24 177.89 2ky9 n GLU 120 N -4.17 0.01 -4.02 0.28 2.13 -0.73 -4.85 120.64 109.29 2ky9 n GLU 120 Ca -0.01 -0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.56 2ky9 n GLU 120 Cb 0.36 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.52 2ky9 n GLU 120 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2ky9 s LEU 121 N -2.99 2.96 -0.01 4.31 1.43 -0.64 -2.23 118.68 121.51 2ky9 s LEU 121 Ca 0.13 -1.13 0.01 0.00 -1.03 0.00 0.00 54.13 52.11 2ky9 s LEU 121 Cb 0.19 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 45.02 2ky9 s LEU 121 CO 0.58 -0.76 -0.03 -0.55 0.23 0.00 0.00 176.35 175.83 2ky9 s SER 122 N -4.05 0.44 0.27 2.29 0.15 0.03 -4.69 113.70 108.13 2ky9 s SER 122 Ca 0.37 -0.06 -0.29 0.00 0.70 0.00 0.00 55.95 56.67 2ky9 s SER 122 Cb 0.01 -0.11 -0.09 0.00 -1.71 0.00 0.00 66.02 64.11 2ky9 s SER 122 CO 0.21 -0.00 1.23 0.00 1.20 0.00 0.00 173.24 175.88 2ky9 s ALA 123 N 0.27 3.47 -1.37 5.45 0.00 -1.26 -0.42 121.76 127.90 2ky9 s ALA 123 Ca -0.03 1.07 -0.10 0.00 0.00 0.00 0.00 51.96 52.90 2ky9 s ALA 123 Cb -0.05 -3.42 0.10 0.00 0.00 0.00 0.00 23.12 19.75 2ky9 s ALA 123 CO -0.01 -0.43 2.14 1.17 0.00 0.00 0.00 175.76 178.63 2ky9 n LYS 124 N 1.56 3.56 -0.01 0.00 4.81 -1.19 -4.28 118.16 122.60 2ky9 n LYS 124 Ca 0.02 -3.15 -0.02 0.00 -0.87 0.00 0.00 58.31 54.29 2ky9 n LYS 124 Cb 0.43 -2.97 -0.01 0.00 0.02 0.00 0.00 35.03 32.50 2ky9 n LYS 124 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2ky9 n LEU 125 N 4.14 2.73 -4.87 3.14 7.99 -1.26 -4.99 117.00 123.87 2ky9 n LEU 125 Ca 0.50 -0.01 -0.31 0.00 -0.01 0.00 0.00 56.01 56.18 2ky9 n LEU 125 Cb 0.34 -0.07 0.00 0.00 -0.11 0.00 0.00 43.42 43.58 2ky9 n LEU 125 CO 0.83 0.50 0.67 -1.61 -1.51 0.00 0.00 177.39 176.26 2ky9 s GLU 126 N -2.05 3.63 -1.07 3.23 2.02 -1.26 -4.99 118.70 118.22 2ky9 s GLU 126 Ca -0.03 0.68 -0.23 0.00 0.02 0.00 0.00 54.97 55.42 2ky9 s GLU 126 Cb 0.01 -2.14 -0.01 0.00 0.10 0.00 0.00 34.13 32.09 2ky9 s GLU 126 CO 0.06 -0.47 1.77 -1.01 0.02 0.00 0.00 175.26 175.63 2ky9 s HIS 127 N -3.03 2.20 -1.46 1.61 3.76 -1.26 -4.91 115.29 112.19 2ky9 s HIS 127 Ca 0.54 -0.20 -0.14 0.00 -0.15 0.00 0.00 55.06 55.12 2ky9 s HIS 127 Cb -0.11 -4.34 0.04 0.00 1.11 0.00 0.00 32.58 29.28 2ky9 s HIS 127 CO 0.50 -1.69 2.25 -2.39 -0.85 0.00 0.00 174.74 172.56 2ky9 n HIS 128 N 11.73 3.51 1.05 1.40 1.44 -1.26 -4.65 115.22 128.43 2ky9 n HIS 128 Ca 0.41 -2.98 0.10 0.00 -2.01 0.00 0.00 57.72 53.24 2ky9 n HIS 128 Cb 0.48 -2.56 0.32 0.00 0.12 0.00 0.00 29.99 28.35 2ky9 n HIS 128 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2ky9 n HIS 129 N 6.03 0.29 -3.90 -1.40 8.25 -1.26 -4.76 115.22 118.46 2ky9 n HIS 129 Ca 0.53 -0.15 -0.35 0.00 -0.26 0.00 0.00 57.72 57.49 2ky9 n HIS 129 Cb 0.39 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.36 2ky9 n HIS 129 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2ky9 s HIS 130 N -1.71 3.12 -0.19 4.41 3.76 -1.26 -5.10 115.29 118.32 2ky9 s HIS 130 Ca 0.32 -1.48 -0.28 0.00 -0.15 0.00 0.00 55.06 53.46 2ky9 s HIS 130 Cb 0.17 -2.11 0.00 0.00 1.11 0.00 0.00 32.58 31.75 2ky9 s HIS 130 CO 0.26 -0.71 0.99 -1.58 -0.85 0.00 0.00 174.74 172.84 2ky9 s HIS 131 N 1.35 3.39 -2.95 1.40 2.46 -1.26 -5.14 115.29 114.54 2ky9 s HIS 131 Ca -0.00 1.44 0.24 0.00 0.47 0.00 0.00 55.06 57.21 2ky9 s HIS 131 Cb -0.17 -3.20 0.28 0.00 -0.13 0.00 0.00 32.58 29.36 2ky9 s HIS 131 CO -0.02 -0.38 1.31 0.72 -2.47 0.00 0.00 174.74 173.90