#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 4.61 0.06 0.03 2.47 -1.26 -4.95 119.74 120.69 2ky9 s LYS 2 Ca 0.00 1.76 -0.31 0.00 -1.56 0.00 0.00 55.97 55.86 2ky9 s LYS 2 Cb 0.00 -3.24 -0.07 0.00 -1.46 0.00 0.00 37.83 33.05 2ky9 s LYS 2 CO 0.00 0.13 1.53 0.08 0.16 0.00 0.00 175.35 177.24 2ky9 s VAL 3 N -0.59 3.27 0.00 4.02 1.01 -1.26 -2.19 120.40 124.66 2ky9 s VAL 3 Ca 0.48 0.75 0.00 0.00 0.00 0.00 0.00 61.98 63.20 2ky9 s VAL 3 Cb -0.30 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2ky9 s VAL 3 CO 0.37 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.09 2ky9 n GLY 4 N 3.80 2.57 3.90 4.51 0.00 -0.17 -5.03 105.19 114.78 2ky9 n GLY 4 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 2ky9 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ky9 s SER 5 N -1.46 6.10 0.10 1.61 0.15 -0.93 -4.88 113.70 114.39 2ky9 s SER 5 Ca 0.00 0.95 0.08 0.00 0.70 0.00 0.00 55.95 57.68 2ky9 s SER 5 Cb 0.00 -2.15 -0.03 0.00 -1.71 0.00 0.00 66.02 62.12 2ky9 s SER 5 CO 0.00 -0.74 -0.21 0.00 1.20 0.00 0.00 173.24 173.49 2ky9 s GLN 6 N -4.87 1.17 0.13 5.44 -2.07 -1.26 -0.69 119.66 117.51 2ky9 s GLN 6 Ca 0.50 -1.16 -0.00 0.00 -1.82 0.00 0.00 55.36 52.88 2ky9 s GLN 6 Cb -0.10 -1.44 -0.04 0.00 -1.09 0.00 0.00 33.01 30.33 2ky9 s GLN 6 CO 0.46 0.34 0.02 0.14 -1.32 0.00 0.00 175.29 174.93 2ky9 s VAL 7 N -1.12 0.32 -0.17 3.63 -7.23 -0.55 -2.02 120.40 113.26 2ky9 s VAL 7 Ca 0.07 -1.92 -0.11 0.00 -1.81 0.00 0.00 61.98 58.22 2ky9 s VAL 7 Cb -0.10 -1.96 -0.05 0.00 0.56 0.00 0.00 36.38 34.83 2ky9 s VAL 7 CO 0.04 -0.58 0.18 -0.63 -0.31 0.00 0.00 175.10 173.81 2ky9 s ILE 8 N -3.89 5.39 -0.18 -0.62 -1.09 -0.07 -0.88 121.20 119.86 2ky9 s ILE 8 Ca 0.21 0.31 -0.18 0.00 -2.23 0.00 0.00 60.65 58.75 2ky9 s ILE 8 Cb 0.07 -3.51 -0.03 0.00 -1.58 0.00 0.00 42.46 37.41 2ky9 s ILE 8 CO 0.00 0.47 0.51 -0.63 -1.23 0.00 0.00 174.94 174.06 2ky9 s ILE 9 N 0.08 5.12 -0.17 2.92 1.01 -1.04 -1.25 121.20 127.88 2ky9 s ILE 9 Ca 0.12 0.95 -0.15 0.00 0.00 0.00 0.00 60.65 61.57 2ky9 s ILE 9 Cb -0.12 -3.84 -0.06 0.00 0.01 0.00 0.00 42.46 38.46 2ky9 s ILE 9 CO 0.01 0.21 -0.27 0.59 0.00 0.00 0.00 174.94 175.48 2ky9 n ASN 10 N 4.53 1.89 -4.83 3.58 3.02 -0.05 -0.36 115.26 123.04 2ky9 n ASN 10 Ca -0.05 0.44 -0.38 0.00 -0.03 0.00 0.00 54.58 54.56 2ky9 n ASN 10 Cb 0.51 -0.80 -0.06 0.00 -0.61 0.00 0.00 39.78 38.82 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 -2.63 4.92 -0.12 3.41 2.01 -1.26 -4.46 115.64 117.52 2ky9 s THR 11 Ca -0.25 0.94 -0.09 0.00 0.31 0.00 0.00 61.69 62.60 2ky9 s THR 11 Cb 0.04 -3.77 0.04 0.00 0.01 0.00 0.00 72.50 68.82 2ky9 s THR 11 CO 0.37 0.52 0.30 -0.44 -0.69 0.00 0.00 174.62 174.68 2ky9 s SER 12 N -1.19 -0.32 0.27 3.53 0.01 -1.26 -4.82 113.70 109.91 2ky9 s SER 12 Ca 0.27 0.61 0.19 0.00 1.31 0.00 0.00 55.95 58.33 2ky9 s SER 12 Cb -0.17 0.58 0.09 0.00 0.21 0.00 0.00 66.02 66.72 2ky9 s SER 12 CO 0.16 -0.13 1.29 0.45 0.41 0.00 0.00 173.24 175.43 2ky9 h HIS 13 N 6.19 0.00 -3.70 2.43 3.86 -1.95 -3.42 115.15 118.56 2ky9 h HIS 13 Ca -0.31 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.28 2ky9 h HIS 13 Cb 1.18 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.50 2ky9 h HIS 13 CO 0.37 0.28 -0.37 -1.64 0.86 0.00 0.00 177.93 177.43 2ky9 s MET 14 N -3.10 4.04 0.43 2.45 -1.94 -1.26 -5.02 119.30 114.89 2ky9 s MET 14 Ca 0.03 -0.11 0.11 0.00 -1.71 0.00 0.00 55.69 54.00 2ky9 s MET 14 Cb 0.07 -3.61 0.92 0.00 2.01 0.00 0.00 34.83 34.23 2ky9 s MET 14 CO 0.75 -0.13 2.01 1.57 -0.01 0.00 0.00 175.02 179.20 2ky9 h LYS 15 N 7.94 0.25 0.00 2.03 2.10 -1.99 -2.01 116.57 124.89 2ky9 h LYS 15 Ca -0.35 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 2ky9 h LYS 15 Cb 1.17 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2ky9 h LYS 15 CO 0.63 0.28 0.00 0.41 -2.00 0.00 0.00 179.45 178.77 2ky9 n GLY 16 N -1.19 -1.01 0.03 0.07 0.00 -1.26 -3.32 105.19 98.51 2ky9 n GLY 16 Ca -0.00 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.22 0.68 -2.07 1.61 0.00 -0.76 -1.10 117.12 114.26 2ky9 n MET 17 Ca 0.13 -0.15 -0.42 0.00 0.00 0.00 0.00 57.70 57.26 2ky9 n MET 17 Cb 0.17 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 31.86 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 -3.23 4.19 0.00 2.12 2.20 -1.21 -2.08 119.74 121.73 2ky9 s LYS 18 Ca -0.08 2.11 0.00 0.00 -0.36 0.00 0.00 55.97 57.64 2ky9 s LYS 18 Cb 0.12 -3.95 0.00 0.00 -1.51 0.00 0.00 37.83 32.49 2ky9 s LYS 18 CO 0.85 -0.82 0.00 0.41 -0.36 0.00 0.00 175.35 175.43 2ky9 n GLY 19 N 4.05 1.58 3.87 5.54 0.00 0.51 -4.95 105.19 115.79 2ky9 n GLY 19 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 3.14 -0.34 4.61 0.00 -0.88 -4.73 121.76 120.60 2ky9 s ALA 20 Ca 0.00 -0.14 -0.27 0.00 0.00 0.00 0.00 51.96 51.55 2ky9 s ALA 20 Cb 0.00 -3.02 0.01 0.00 0.00 0.00 0.00 23.12 20.11 2ky9 s ALA 20 CO 0.00 -0.64 0.97 -1.21 0.00 0.00 0.00 175.76 174.87 2ky9 s GLU 21 N -5.12 3.96 0.33 0.00 8.01 -1.26 -2.49 118.70 122.13 2ky9 s GLU 21 Ca 0.54 0.80 0.09 0.00 0.01 0.00 0.00 54.97 56.40 2ky9 s GLU 21 Cb -0.11 -3.76 -0.05 0.00 -4.31 0.00 0.00 34.13 25.90 2ky9 s GLU 21 CO 0.53 -0.88 0.07 0.00 0.01 0.00 0.00 175.26 174.99 2ky9 s ALA 22 N 3.46 3.34 -0.06 5.21 0.00 -0.06 -3.80 121.76 129.84 2ky9 s ALA 22 Ca 0.40 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.52 2ky9 s ALA 22 Cb -0.12 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.41 2ky9 s ALA 22 CO 0.16 0.09 -0.04 0.99 0.00 0.00 0.00 175.76 176.96 2ky9 s THR 23 N -2.44 0.61 -0.60 0.00 2.01 -0.32 -1.47 115.64 113.43 2ky9 s THR 23 Ca 0.36 -0.10 -0.28 0.00 0.31 0.00 0.00 61.69 61.98 2ky9 s THR 23 Cb -0.02 -0.66 0.02 0.00 0.01 0.00 0.00 72.50 71.85 2ky9 s THR 23 CO 0.21 0.27 1.33 -0.69 -0.69 0.00 0.00 174.62 175.05 2ky9 s VAL 24 N 1.32 3.84 -1.11 3.82 1.01 0.13 -1.54 120.40 127.88 2ky9 s VAL 24 Ca -0.04 0.70 0.10 0.00 0.00 0.00 0.00 61.98 62.73 2ky9 s VAL 24 Cb -0.14 -4.59 0.15 0.00 0.00 0.00 0.00 36.38 31.80 2ky9 s VAL 24 CO -0.02 -1.32 0.97 0.35 0.00 0.00 0.00 175.10 175.07 2ky9 n THR 25 N 6.73 0.37 -3.64 3.92 -2.24 -0.36 -1.00 114.28 118.07 2ky9 n THR 25 Ca 0.10 -0.68 -0.15 0.00 -2.27 0.00 0.00 64.05 61.04 2ky9 n THR 25 Cb 0.49 0.95 -0.08 0.00 -2.10 0.00 0.00 70.33 69.60 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 -0.90 -0.42 -0.20 3.38 0.00 -1.07 -4.92 107.32 103.19 2ky9 s GLY 26 Ca 0.15 1.17 -0.04 0.00 0.00 0.00 0.00 44.72 46.00 2ky9 s GLY 26 CO 0.13 0.90 0.09 0.00 0.00 0.00 0.00 173.10 174.22 2ky9 s ALA 27 N -0.69 0.60 -0.25 3.20 0.00 -1.26 -1.83 121.76 121.52 2ky9 s ALA 27 Ca -0.08 -0.53 -0.04 0.00 0.00 0.00 0.00 51.96 51.31 2ky9 s ALA 27 Cb -0.03 -1.13 0.01 0.00 0.00 0.00 0.00 23.12 21.97 2ky9 s ALA 27 CO 0.05 -1.26 -0.02 0.71 0.00 0.00 0.00 175.76 175.25 2ky9 s TYR 28 N 2.06 3.05 -0.88 0.00 1.51 -0.46 -5.02 117.35 117.61 2ky9 s TYR 28 Ca 0.03 -1.17 -0.14 0.00 -1.01 0.00 0.00 57.07 54.78 2ky9 s TYR 28 Cb -0.16 -2.13 0.22 0.00 -0.11 0.00 0.00 41.96 39.78 2ky9 s TYR 28 CO -0.13 -0.62 0.84 0.16 -1.11 0.00 0.00 175.55 174.69 2ky9 s ASP 29 N 1.43 6.84 0.39 2.29 -4.77 -1.26 -1.09 116.67 120.50 2ky9 s ASP 29 Ca 0.03 -2.79 0.06 0.00 -3.30 0.00 0.00 52.55 46.55 2ky9 s ASP 29 Cb -0.16 -2.22 -0.02 0.00 -1.09 0.00 0.00 42.92 39.43 2ky9 s ASP 29 CO -0.02 -0.56 0.20 0.28 0.70 0.00 0.00 175.17 175.77 2ky9 s THR 30 N 0.11 0.29 -0.18 2.11 -1.32 -1.24 -5.02 115.64 110.40 2ky9 s THR 30 Ca 0.21 -2.00 -0.26 0.00 -1.21 0.00 0.00 61.69 58.42 2ky9 s THR 30 Cb -0.10 -2.36 -0.01 0.00 -1.51 0.00 0.00 72.50 68.52 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 -3.26 4.83 0.17 5.08 2.01 -1.26 -3.32 115.64 119.89 2ky9 s THR 31 Ca 0.29 1.75 0.06 0.00 0.31 0.00 0.00 61.69 64.10 2ky9 s THR 31 Cb 0.02 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 2ky9 s THR 31 CO 0.21 -0.02 0.11 0.00 -0.69 0.00 0.00 174.62 174.23 2ky9 s ALA 32 N 2.35 3.49 0.05 7.40 0.00 -0.41 -1.06 121.76 133.58 2ky9 s ALA 32 Ca 0.40 -1.26 0.04 0.00 0.00 0.00 0.00 51.96 51.14 2ky9 s ALA 32 Cb -0.16 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 2ky9 s ALA 32 CO 0.12 0.48 -0.12 0.71 0.00 0.00 0.00 175.76 176.96 2ky9 s TYR 33 N -1.77 1.00 -0.43 0.00 2.02 -0.03 -1.40 117.35 116.74 2ky9 s TYR 33 Ca 0.30 -0.41 -0.16 0.00 -0.37 0.00 0.00 57.07 56.44 2ky9 s TYR 33 Cb -0.10 -0.58 0.03 0.00 -0.40 0.00 0.00 41.96 40.91 2ky9 s TYR 33 CO 0.22 0.00 0.35 0.08 -1.57 0.00 0.00 175.55 174.64 2ky9 s VAL 34 N -1.09 5.21 0.18 0.71 1.01 -0.48 -3.44 120.40 122.51 2ky9 s VAL 34 Ca -0.03 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.30 2ky9 s VAL 34 Cb -0.09 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2ky9 s VAL 34 CO 0.01 -0.41 0.11 0.68 0.00 0.00 0.00 175.10 175.49 2ky9 s VAL 35 N 1.77 4.29 -0.07 2.92 -7.23 -1.05 -0.48 120.40 120.55 2ky9 s VAL 35 Ca 0.06 -1.21 -0.00 0.00 -1.81 0.00 0.00 61.98 59.02 2ky9 s VAL 35 Cb -0.20 -3.20 0.03 0.00 0.56 0.00 0.00 36.38 33.57 2ky9 s VAL 35 CO 0.10 -0.14 -0.02 -0.44 -0.31 0.00 0.00 175.10 174.28 2ky9 s SER 36 N -3.16 1.48 0.11 4.85 0.01 0.10 -0.41 113.70 116.68 2ky9 s SER 36 Ca 0.30 -0.13 -0.16 0.00 1.31 0.00 0.00 55.95 57.28 2ky9 s SER 36 Cb -0.10 -0.50 0.03 0.00 0.21 0.00 0.00 66.02 65.67 2ky9 s SER 36 CO 0.22 -0.14 0.39 -0.72 0.41 0.00 0.00 173.24 173.40 2ky9 s TYR 37 N 1.61 -0.19 -0.24 2.43 1.13 -0.52 -0.74 117.35 120.83 2ky9 s TYR 37 Ca 0.00 -0.09 -0.09 0.00 -1.41 0.00 0.00 57.07 55.48 2ky9 s TYR 37 Cb -0.13 0.24 -0.04 0.00 -1.10 0.00 0.00 41.96 40.92 2ky9 s TYR 37 CO -0.04 -0.67 0.13 0.99 -2.51 0.00 0.00 175.55 173.45 2ky9 s THR 38 N -3.60 5.08 0.52 -3.49 2.01 -1.26 -1.05 115.64 113.85 2ky9 s THR 38 Ca 0.02 0.08 -0.22 0.00 0.31 0.00 0.00 61.69 61.88 2ky9 s THR 38 Cb 0.02 -3.36 -0.06 0.00 0.01 0.00 0.00 72.50 69.10 2ky9 s THR 38 CO -0.11 0.35 1.31 -0.81 -0.69 0.00 0.00 174.62 174.67 2ky9 n PRO 39 N 4.35 1.68 0.25 4.92 -0.04 -1.26 -4.77 135.00 140.13 2ky9 n PRO 39 Ca -0.15 0.61 0.17 0.00 -0.04 0.00 0.00 63.50 64.09 2ky9 n PRO 39 Cb 0.52 -2.50 0.86 0.00 -0.04 0.00 0.00 33.50 32.33 2ky9 n PRO 39 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2ky9 h THR 40 N 1.49 0.00 0.00 0.52 1.35 -1.74 -0.43 112.91 114.10 2ky9 h THR 40 Ca -0.50 -0.11 -0.01 0.00 -0.55 0.00 0.00 66.41 65.24 2ky9 h THR 40 Cb 1.31 0.92 -0.00 0.00 -1.73 0.00 0.00 68.15 68.64 2ky9 h THR 40 CO 0.57 0.00 -0.04 0.78 -0.25 0.00 0.00 175.52 176.58 2ky9 h ASN 41 N 0.00 0.00 0.00 5.36 -0.26 -1.87 -3.48 115.58 115.33 2ky9 h ASN 41 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2ky9 h ASN 41 Cb 0.13 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 2ky9 h ASN 41 CO 0.00 0.04 0.00 0.61 -1.06 0.00 0.00 177.43 177.02 2ky9 n GLY 42 N 0.03 0.38 0.00 2.83 0.00 -0.17 -5.06 105.19 103.20 2ky9 n GLY 42 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.09 0.57 3.66 -0.02 0.00 -1.26 -5.01 105.19 102.04 2ky9 n GLY 43 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2ky9 n GLY 43 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ky9 s GLN 44 N 2.97 4.19 -0.39 1.61 -0.44 -1.26 -4.91 119.66 121.44 2ky9 s GLN 44 Ca 0.00 1.73 -0.29 0.00 -2.50 0.00 0.00 55.36 54.30 2ky9 s GLN 44 Cb 0.00 -3.82 -0.08 0.00 -1.64 0.00 0.00 33.01 27.48 2ky9 s GLN 44 CO 0.00 -0.77 2.32 -2.13 0.50 0.00 0.00 175.29 175.21 2ky9 n ARG 45 N 6.77 1.35 -2.18 1.67 0.63 -1.26 -4.60 116.66 119.03 2ky9 n ARG 45 Ca 0.15 0.26 -0.41 0.00 -0.92 0.00 0.00 57.85 56.92 2ky9 n ARG 45 Cb 0.45 -3.09 -0.03 0.00 0.45 0.00 0.00 32.46 30.24 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 9.71 3.58 0.18 5.15 1.01 -0.22 -4.87 120.40 134.94 2ky9 s VAL 46 Ca 1.03 0.48 0.07 0.00 0.00 0.00 0.00 61.98 63.57 2ky9 s VAL 46 Cb -0.41 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 2ky9 s VAL 46 CO 0.35 -0.90 0.02 1.51 0.00 0.00 0.00 175.10 176.08 2ky9 s ASP 47 N 5.99 4.83 -1.67 3.32 -4.77 -1.26 -1.44 116.67 121.68 2ky9 s ASP 47 Ca 0.64 -0.39 -0.00 0.00 -3.30 0.00 0.00 52.55 49.49 2ky9 s ASP 47 Cb -0.14 -1.05 0.00 0.00 -1.09 0.00 0.00 42.92 40.64 2ky9 s ASP 47 CO 0.26 0.08 0.06 1.41 0.70 0.00 0.00 175.17 177.67 2ky9 n HIS 48 N -0.24 -1.15 -1.95 2.11 8.25 -0.86 -4.94 115.22 116.44 2ky9 n HIS 48 Ca -0.09 0.05 -0.42 0.00 -0.26 0.00 0.00 57.72 56.99 2ky9 n HIS 48 Cb 0.56 -3.85 -0.03 0.00 1.12 0.00 0.00 29.99 27.78 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 -3.00 2.51 0.01 4.41 2.46 0.45 -4.79 115.29 117.35 2ky9 s HIS 49 Ca 0.03 0.38 0.00 0.00 0.47 0.00 0.00 55.06 55.94 2ky9 s HIS 49 Cb -0.01 -3.94 -0.01 0.00 -0.13 0.00 0.00 32.58 28.49 2ky9 s HIS 49 CO 0.04 -3.74 -0.01 0.15 -2.47 0.00 0.00 174.74 168.71 2ky9 s LYS 50 N 2.47 0.14 -0.07 2.88 1.02 -1.26 -2.53 119.74 122.39 2ky9 s LYS 50 Ca 0.73 -0.27 0.02 0.00 0.02 0.00 0.00 55.97 56.47 2ky9 s LYS 50 Cb -0.40 0.04 -0.03 0.00 -0.52 0.00 0.00 37.83 36.93 2ky9 s LYS 50 CO 0.32 -0.02 -0.10 -1.58 -0.92 0.00 0.00 175.35 173.04 2ky9 s TRP 51 N -0.64 2.83 -0.07 3.18 0.52 -1.26 -4.88 118.94 118.63 2ky9 s TRP 51 Ca -0.07 -0.16 0.02 0.00 0.02 0.00 0.00 56.10 55.92 2ky9 s TRP 51 Cb -0.04 -1.71 -0.03 0.00 -1.15 0.00 0.00 33.47 30.54 2ky9 s TRP 51 CO -0.00 0.18 -0.11 0.14 0.02 0.00 0.00 176.95 177.17 2ky9 s VAL 52 N -0.55 3.29 0.30 4.03 -7.23 -1.22 -4.24 120.40 114.77 2ky9 s VAL 52 Ca 0.08 -0.63 0.05 0.00 -1.81 0.00 0.00 61.98 59.67 2ky9 s VAL 52 Cb -0.12 -2.32 -0.02 0.00 0.56 0.00 0.00 36.38 34.48 2ky9 s VAL 52 CO 0.02 0.58 0.43 0.27 -0.31 0.00 0.00 175.10 176.09 2ky9 s ILE 53 N -0.62 4.70 0.29 -0.62 -4.36 -1.26 -0.85 121.20 118.48 2ky9 s ILE 53 Ca 0.09 -0.94 0.03 0.00 -0.26 0.00 0.00 60.65 59.58 2ky9 s ILE 53 Cb -0.11 -3.66 0.28 0.00 1.25 0.00 0.00 42.46 40.22 2ky9 s ILE 53 CO 0.01 -0.27 1.77 -0.61 0.24 0.00 0.00 174.94 176.08 2ky9 h GLN 54 N 0.99 0.68 0.00 0.37 4.15 -1.47 -1.49 115.11 118.35 2ky9 h GLN 54 Ca -0.49 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.89 2ky9 h GLN 54 Cb 1.24 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.78 2ky9 h GLN 54 CO 0.57 0.45 0.00 -1.91 -1.93 0.00 0.00 178.83 176.01 2ky9 n GLU 55 N -4.82 0.17 0.05 1.69 2.13 -1.26 -2.80 120.64 115.80 2ky9 n GLU 55 Ca 0.21 0.33 0.11 0.00 0.66 0.00 0.00 57.16 58.47 2ky9 n GLU 55 Cb 0.53 -1.78 0.03 0.00 0.27 0.00 0.00 31.44 30.49 2ky9 n GLU 55 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2ky9 n GLU 56 N -2.09 0.41 -3.96 5.31 2.13 -0.57 -4.85 120.64 117.02 2ky9 n GLU 56 Ca 0.03 0.04 -0.35 0.00 0.66 0.00 0.00 57.16 57.54 2ky9 n GLU 56 Cb 0.27 -1.68 -0.09 0.00 0.27 0.00 0.00 31.44 30.22 2ky9 n GLU 56 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2ky9 s ILE 57 N -3.27 4.98 0.03 6.31 1.01 -1.12 -3.23 121.20 125.91 2ky9 s ILE 57 Ca 0.02 0.03 -0.27 0.00 0.00 0.00 0.00 60.65 60.43 2ky9 s ILE 57 Cb 0.13 -3.23 -0.17 0.00 0.01 0.00 0.00 42.46 39.20 2ky9 s ILE 57 CO 0.79 0.49 1.37 0.50 0.00 0.00 0.00 174.94 178.10 2ky9 h LYS 58 N 6.29 -0.50 0.00 2.79 3.64 -1.66 -3.26 116.57 123.87 2ky9 h LYS 58 Ca -0.42 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2ky9 h LYS 58 Cb 1.17 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2ky9 h LYS 58 CO 0.68 -0.22 0.00 -0.25 -2.27 0.00 0.00 179.45 177.40 2ky9 n ASP 59 N -5.22 0.00 -0.35 4.20 9.92 -1.26 -3.94 116.55 119.90 2ky9 n ASP 59 Ca -0.10 0.03 0.11 0.00 -0.53 0.00 0.00 54.79 54.29 2ky9 n ASP 59 Cb 0.27 -0.29 0.30 0.00 -0.64 0.00 0.00 41.12 40.75 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 2.92 1.64 -1.91 2.24 0.00 -1.83 -3.47 119.26 118.85 2ky9 h ALA 60 Ca 0.00 0.05 -0.30 0.00 0.00 0.00 0.00 54.91 54.66 2ky9 h ALA 60 Cb 0.19 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2ky9 h ALA 60 CO 0.00 0.05 -0.37 0.41 0.00 0.00 0.00 179.25 179.35 2ky9 n GLY 61 N -1.35 0.05 2.77 0.00 0.00 -1.25 -1.60 105.19 103.80 2ky9 n GLY 61 Ca 0.21 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.80 -5.59 -4.64 1.61 8.00 -1.26 -4.99 116.55 108.88 2ky9 n ASP 62 Ca -0.17 0.21 -0.28 0.00 0.71 0.00 0.00 54.79 55.25 2ky9 n ASP 62 Cb 0.61 -3.83 -0.11 0.00 -0.02 0.00 0.00 41.12 37.78 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 -2.62 1.99 -0.35 -1.24 -2.85 -0.63 -5.13 119.74 108.92 2ky9 s LYS 63 Ca 0.00 -2.11 -0.16 0.00 -1.00 0.00 0.00 55.97 52.71 2ky9 s LYS 63 Cb 0.00 -1.66 -0.01 0.00 -2.06 0.00 0.00 37.83 34.10 2ky9 s LYS 63 CO 0.00 -0.07 0.39 0.99 0.10 0.00 0.00 175.35 176.76 2ky9 s THR 64 N -2.71 5.14 0.27 3.79 2.01 -1.26 -4.91 115.64 117.96 2ky9 s THR 64 Ca 0.34 0.04 -0.29 0.00 0.31 0.00 0.00 61.69 62.08 2ky9 s THR 64 Cb 0.09 -3.87 -0.09 0.00 0.01 0.00 0.00 72.50 68.64 2ky9 s THR 64 CO 0.18 -0.15 1.03 -0.76 -0.69 0.00 0.00 174.62 174.23 2ky9 s LEU 65 N 2.09 4.57 0.26 4.42 1.43 -1.26 -5.05 118.68 125.13 2ky9 s LEU 65 Ca 0.13 2.13 -0.08 0.00 -1.03 0.00 0.00 54.13 55.27 2ky9 s LEU 65 Cb -0.16 -3.66 -0.06 0.00 0.03 0.00 0.00 46.19 42.34 2ky9 s LEU 65 CO 0.12 -0.04 0.56 -1.10 0.23 0.00 0.00 176.35 176.13 2ky9 s GLN 66 N -1.41 3.74 -0.06 1.70 1.11 -1.26 -4.57 119.66 118.92 2ky9 s GLN 66 Ca 0.44 0.20 -0.33 0.00 0.01 0.00 0.00 55.36 55.67 2ky9 s GLN 66 Cb -0.29 -2.63 -0.11 0.00 -1.01 0.00 0.00 33.01 28.97 2ky9 s GLN 66 CO 0.37 0.26 1.90 -2.30 0.01 0.00 0.00 175.29 175.52 2ky9 n PRO 67 N -0.48 2.33 0.00 2.91 -0.02 -1.26 -2.45 135.00 136.02 2ky9 n PRO 67 Ca -0.00 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2ky9 n PRO 67 Cb 0.53 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 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 4.43 2.18 3.79 -1.23 0.00 -0.28 -5.03 105.19 109.06 2ky9 n GLY 68 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.81 5.52 -0.04 1.61 1.01 -1.03 -4.85 116.67 117.08 2ky9 s ASP 69 Ca 0.00 1.91 0.07 0.00 0.71 0.00 0.00 52.55 55.24 2ky9 s ASP 69 Cb 0.00 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 2ky9 s ASP 69 CO 0.00 -1.35 -0.25 -1.10 0.21 0.00 0.00 175.17 172.69 2ky9 s GLN 70 N -4.02 2.33 0.31 8.23 -0.21 -1.26 -0.44 119.66 124.59 2ky9 s GLN 70 Ca 0.66 -0.89 0.03 0.00 0.02 0.00 0.00 55.36 55.18 2ky9 s GLN 70 Cb -0.18 -2.06 -0.05 0.00 1.00 0.00 0.00 33.01 31.72 2ky9 s GLN 70 CO 0.38 0.43 0.11 0.14 -2.12 0.00 0.00 175.29 174.23 2ky9 s VAL 71 N -0.30 0.63 -0.05 1.09 -7.23 0.06 -4.99 120.40 109.61 2ky9 s VAL 71 Ca 0.01 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.22 2ky9 s VAL 71 Cb -0.12 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 2ky9 s VAL 71 CO 0.02 0.00 -0.17 -0.63 -0.31 0.00 0.00 175.10 174.01 2ky9 s ILE 72 N -3.54 2.83 -0.30 -0.62 -1.09 -1.26 -1.28 121.20 115.94 2ky9 s ILE 72 Ca 0.35 -0.80 -0.13 0.00 -2.23 0.00 0.00 60.65 57.83 2ky9 s ILE 72 Cb 0.06 -2.09 -0.03 0.00 -1.58 0.00 0.00 42.46 38.82 2ky9 s ILE 72 CO 0.15 0.58 0.30 -0.76 -1.23 0.00 0.00 174.94 173.98 2ky9 s LEU 73 N -0.59 4.20 0.31 2.97 1.43 -1.24 -1.87 118.68 123.89 2ky9 s LEU 73 Ca 0.08 -0.03 0.19 0.00 -1.03 0.00 0.00 54.13 53.35 2ky9 s LEU 73 Cb -0.11 -2.27 0.14 0.00 0.03 0.00 0.00 46.19 43.98 2ky9 s LEU 73 CO 0.01 -0.19 1.40 -0.33 0.23 0.00 0.00 176.35 177.47 2ky9 h GLU 74 N 8.35 0.00 -6.26 1.70 4.39 -1.91 -1.39 114.58 119.46 2ky9 h GLU 74 Ca -0.32 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 58.89 2ky9 h GLU 74 Cb 1.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 2ky9 h GLU 74 CO 0.63 0.23 -0.31 0.00 -1.16 0.00 0.00 179.01 178.40 2ky9 s ALA 75 N -3.10 4.30 -0.04 3.43 0.00 -1.25 -4.91 121.76 120.19 2ky9 s ALA 75 Ca 0.04 -1.80 -0.00 0.00 0.00 0.00 0.00 51.96 50.20 2ky9 s ALA 75 Cb 0.07 -1.18 0.03 0.00 0.00 0.00 0.00 23.12 22.04 2ky9 s ALA 75 CO 0.73 -0.35 0.00 0.45 0.00 0.00 0.00 175.76 176.60 2ky9 s SER 76 N -4.27 0.83 0.13 0.00 0.15 -1.26 -3.41 113.70 105.88 2ky9 s SER 76 Ca 0.50 -0.03 0.22 0.00 0.70 0.00 0.00 55.95 57.34 2ky9 s SER 76 Cb -0.05 -0.28 -0.10 0.00 -1.71 0.00 0.00 66.02 63.88 2ky9 s SER 76 CO 0.30 -0.14 0.87 1.41 1.20 0.00 0.00 173.24 176.88 2ky9 n HIS 77 N 4.52 0.69 -3.71 3.44 8.25 -1.26 -5.00 115.22 122.16 2ky9 n HIS 77 Ca -0.19 0.20 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 2ky9 n HIS 77 Cb 0.50 -0.83 -0.06 0.00 1.12 0.00 0.00 29.99 30.72 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 -3.40 0.96 -0.69 -0.41 0.23 -1.26 -5.07 119.30 109.66 2ky9 s MET 78 Ca -0.03 -0.71 -0.26 0.00 -1.03 0.00 0.00 55.69 53.67 2ky9 s MET 78 Cb 0.11 0.42 -0.05 0.00 -1.53 0.00 0.00 34.83 33.77 2ky9 s MET 78 CO 0.83 -0.35 2.06 0.21 -2.03 0.00 0.00 175.02 175.73 2ky9 s LYS 79 N -3.50 2.37 0.00 3.16 2.20 -1.26 -1.51 119.74 121.20 2ky9 s LYS 79 Ca 0.01 0.49 0.00 0.00 -0.36 0.00 0.00 55.97 56.11 2ky9 s LYS 79 Cb 0.02 -4.67 0.00 0.00 -1.51 0.00 0.00 37.83 31.67 2ky9 s LYS 79 CO -0.10 -3.24 0.00 0.41 -0.36 0.00 0.00 175.35 172.06 2ky9 n GLY 80 N 6.22 0.88 0.15 5.54 0.00 -1.26 -4.55 105.19 112.17 2ky9 n GLY 80 Ca 0.32 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.26 -6.60 1.61 -1.53 -1.62 -2.61 114.93 103.93 2ky9 h MET 81 Ca 0.00 0.02 -0.53 0.00 -3.44 0.00 0.00 59.70 55.75 2ky9 h MET 81 Cb 0.00 0.06 0.03 0.00 -0.55 0.00 0.00 31.60 31.14 2ky9 h MET 81 CO 0.00 -0.14 0.77 0.21 0.14 0.00 0.00 176.91 177.89 2ky9 s LYS 82 N -2.48 4.29 0.00 0.39 2.20 -1.22 -3.16 119.74 119.76 2ky9 s LYS 82 Ca -0.05 2.19 0.00 0.00 -0.36 0.00 0.00 55.97 57.75 2ky9 s LYS 82 Cb 0.00 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 2ky9 s LYS 82 CO 0.15 -0.47 0.00 0.41 -0.36 0.00 0.00 175.35 175.08 2ky9 n GLY 83 N 3.30 3.00 3.76 5.54 0.00 -0.52 -4.97 105.19 115.30 2ky9 n GLY 83 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.03 2.35 -0.32 4.61 0.00 -1.19 -4.81 121.76 120.37 2ky9 s ALA 84 Ca 0.00 0.47 -0.25 0.00 0.00 0.00 0.00 51.96 52.18 2ky9 s ALA 84 Cb 0.00 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.81 2ky9 s ALA 84 CO 0.00 -1.52 0.89 0.99 0.00 0.00 0.00 175.76 176.12 2ky9 s THR 85 N -2.52 4.68 0.08 0.00 2.01 -1.26 -3.73 115.64 114.90 2ky9 s THR 85 Ca 0.65 1.31 0.01 0.00 0.31 0.00 0.00 61.69 63.97 2ky9 s THR 85 Cb -0.20 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.02 2ky9 s THR 85 CO 0.47 -0.37 0.21 0.00 -0.69 0.00 0.00 174.62 174.24 2ky9 s ALA 86 N 3.23 3.95 -0.20 7.40 0.00 -0.41 -4.35 121.76 131.39 2ky9 s ALA 86 Ca 0.37 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.44 2ky9 s ALA 86 Cb -0.13 -1.78 0.02 0.00 0.00 0.00 0.00 23.12 21.23 2ky9 s ALA 86 CO 0.14 0.77 -0.17 -2.00 0.00 0.00 0.00 175.76 174.51 2ky9 s GLU 87 N -2.62 2.94 -0.53 0.00 2.12 0.08 -0.76 118.70 119.94 2ky9 s GLU 87 Ca 0.34 -0.87 -0.26 0.00 0.36 0.00 0.00 54.97 54.54 2ky9 s GLU 87 Cb -0.13 -2.67 -0.08 0.00 0.26 0.00 0.00 34.13 31.51 2ky9 s GLU 87 CO 0.27 -0.26 2.41 0.42 -0.54 0.00 0.00 175.26 177.57 2ky9 s ILE 88 N 1.29 3.00 0.16 -3.70 -1.09 0.42 -0.72 121.20 120.57 2ky9 s ILE 88 Ca 0.03 0.00 -0.10 0.00 -2.23 0.00 0.00 60.65 58.36 2ky9 s ILE 88 Cb -0.14 -3.01 0.01 0.00 -1.58 0.00 0.00 42.46 37.74 2ky9 s ILE 88 CO -0.11 -0.01 1.56 -0.78 -1.23 0.00 0.00 174.94 174.37 2ky9 h ASP 89 N 18.87 1.02 -4.94 3.58 3.58 -1.09 -0.72 116.42 136.73 2ky9 h ASP 89 Ca -0.21 -0.38 0.07 0.00 0.42 0.00 0.00 57.03 56.92 2ky9 h ASP 89 Cb 1.24 -0.28 -0.11 0.00 1.72 0.00 0.00 39.33 41.89 2ky9 h ASP 89 CO 1.14 1.18 0.35 -0.55 -2.88 0.00 0.00 179.24 178.49 2ky9 s SER 90 N -6.72 -0.39 -0.02 2.28 0.15 -1.04 -4.58 113.70 103.38 2ky9 s SER 90 Ca -0.11 -0.16 0.05 0.00 0.70 0.00 0.00 55.95 56.42 2ky9 s SER 90 Cb 0.12 0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 64.95 2ky9 s SER 90 CO 0.87 -0.91 -0.16 0.00 1.20 0.00 0.00 173.24 174.25 2ky9 s ALA 91 N -3.50 1.34 -0.04 5.45 0.00 -1.26 -1.38 121.76 122.38 2ky9 s ALA 91 Ca 0.06 -0.68 -0.01 0.00 0.00 0.00 0.00 51.96 51.33 2ky9 s ALA 91 Cb -0.02 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.77 2ky9 s ALA 91 CO -0.06 0.31 0.04 -2.00 0.00 0.00 0.00 175.76 174.05 2ky9 s GLU 92 N -0.31 0.06 -0.84 0.00 2.56 -0.49 -4.99 118.70 114.69 2ky9 s GLU 92 Ca 0.05 0.25 -0.21 0.00 0.00 0.00 0.00 54.97 55.05 2ky9 s GLU 92 Cb -0.07 -0.47 0.09 0.00 2.00 0.00 0.00 34.13 35.68 2ky9 s GLU 92 CO -0.00 -0.25 1.13 0.21 -0.56 0.00 0.00 175.26 175.79 2ky9 s LYS 93 N 1.64 3.40 0.06 4.30 2.47 -1.26 -1.28 119.74 129.07 2ky9 s LYS 93 Ca -0.02 -1.23 0.01 0.00 -1.56 0.00 0.00 55.97 53.17 2ky9 s LYS 93 Cb -0.13 -4.71 -0.03 0.00 -1.46 0.00 0.00 37.83 31.51 2ky9 s LYS 93 CO -0.03 -1.89 -0.06 -0.08 0.16 0.00 0.00 175.35 173.45 2ky9 s THR 94 N 3.74 0.52 -0.16 3.43 -1.32 -1.21 -4.99 115.64 115.66 2ky9 s THR 94 Ca 0.31 -1.48 -0.22 0.00 -1.21 0.00 0.00 61.69 59.09 2ky9 s THR 94 Cb -0.08 -1.10 -0.03 0.00 -1.51 0.00 0.00 72.50 69.78 2ky9 s THR 94 CO -0.01 -0.66 0.69 -0.89 -2.21 0.00 0.00 174.62 171.54 2ky9 s THR 95 N -2.55 4.99 -0.10 5.08 2.01 -1.26 -3.70 115.64 120.10 2ky9 s THR 95 Ca -0.00 1.35 0.01 0.00 0.31 0.00 0.00 61.69 63.36 2ky9 s THR 95 Cb -0.02 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.46 2ky9 s THR 95 CO -0.03 0.12 -0.12 0.68 -0.69 0.00 0.00 174.62 174.58 2ky9 s VAL 96 N 1.70 3.16 0.18 3.82 -7.23 -0.25 -3.58 120.40 118.21 2ky9 s VAL 96 Ca 0.33 -0.65 0.08 0.00 -1.81 0.00 0.00 61.98 59.93 2ky9 s VAL 96 Cb -0.16 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 2ky9 s VAL 96 CO 0.12 0.55 -0.04 -0.31 -0.31 0.00 0.00 175.10 175.11 2ky9 s TYR 97 N -0.11 2.74 -0.36 2.82 1.51 -0.12 -1.36 117.35 122.47 2ky9 s TYR 97 Ca -0.01 -0.18 -0.12 0.00 -1.01 0.00 0.00 57.07 55.75 2ky9 s TYR 97 Cb -0.14 -1.32 0.01 0.00 -0.11 0.00 0.00 41.96 40.40 2ky9 s TYR 97 CO 0.03 0.52 0.22 1.41 -1.11 0.00 0.00 175.55 176.63 2ky9 s MET 98 N -2.95 3.11 0.10 -0.62 -2.45 -0.76 -3.27 119.30 112.46 2ky9 s MET 98 Ca 0.27 -0.89 0.10 0.00 -1.25 0.00 0.00 55.69 53.91 2ky9 s MET 98 Cb -0.09 -3.76 -0.04 0.00 1.25 0.00 0.00 34.83 32.20 2ky9 s MET 98 CO 0.17 -0.59 -0.25 0.14 1.05 0.00 0.00 175.02 175.54 2ky9 s VAL 99 N 1.63 2.06 -0.21 10.11 -7.23 -0.89 -1.22 120.40 124.66 2ky9 s VAL 99 Ca 0.04 -1.58 -0.04 0.00 -1.81 0.00 0.00 61.98 58.59 2ky9 s VAL 99 Cb -0.18 -1.82 -0.02 0.00 0.56 0.00 0.00 36.38 34.92 2ky9 s VAL 99 CO 0.08 0.13 -0.02 -1.81 -0.31 0.00 0.00 175.10 173.17 2ky9 s ASP 100 N -1.76 4.55 0.18 4.85 1.11 -0.59 -0.39 116.67 124.62 2ky9 s ASP 100 Ca 0.11 -0.29 -0.00 0.00 0.18 0.00 0.00 52.55 52.55 2ky9 s ASP 100 Cb -0.10 -1.78 -0.04 0.00 1.07 0.00 0.00 42.92 42.07 2ky9 s ASP 100 CO 0.04 0.03 0.09 -0.72 1.18 0.00 0.00 175.17 175.79 2ky9 s TYR 101 N 1.18 1.10 -0.26 4.23 1.13 -0.24 -1.17 117.35 123.32 2ky9 s TYR 101 Ca 0.03 -1.27 -0.07 0.00 -1.41 0.00 0.00 57.07 54.35 2ky9 s TYR 101 Cb -0.14 -0.58 -0.02 0.00 -1.10 0.00 0.00 41.96 40.12 2ky9 s TYR 101 CO 0.00 -0.52 0.07 0.99 -2.51 0.00 0.00 175.55 173.58 2ky9 s THR 102 N -4.02 4.20 0.06 -3.49 2.01 -1.25 -1.53 115.64 111.61 2ky9 s THR 102 Ca 0.32 -0.32 -0.31 0.00 0.31 0.00 0.00 61.69 61.70 2ky9 s THR 102 Cb 0.07 -3.01 -0.08 0.00 0.01 0.00 0.00 72.50 69.49 2ky9 s THR 102 CO 0.08 0.27 1.65 -0.94 -0.69 0.00 0.00 174.62 174.99 2ky9 s SER 103 N 1.58 6.61 0.12 3.53 1.04 -0.46 -4.66 113.70 121.47 2ky9 s SER 103 Ca 0.05 2.46 -0.13 0.00 0.48 0.00 0.00 55.95 58.82 2ky9 s SER 103 Cb -0.16 -2.56 -0.07 0.00 0.10 0.00 0.00 66.02 63.34 2ky9 s SER 103 CO 0.03 -0.89 1.44 0.71 0.98 0.00 0.00 173.24 175.51 2ky9 h THR 104 N 4.88 1.29 0.03 2.02 1.35 -1.46 -0.73 112.91 120.28 2ky9 h THR 104 Ca -0.42 -1.51 -0.05 0.00 -0.55 0.00 0.00 66.41 63.88 2ky9 h THR 104 Cb 1.20 1.50 0.01 0.00 -1.73 0.00 0.00 68.15 69.12 2ky9 h THR 104 CO 0.93 0.49 -0.20 0.71 -0.25 0.00 0.00 175.52 177.20 2ky9 h THR 105 N 0.59 1.67 0.16 6.82 1.35 -1.87 -3.38 112.91 118.25 2ky9 h THR 105 Ca 0.05 -2.24 -0.30 0.00 -0.55 0.00 0.00 66.41 63.37 2ky9 h THR 105 Cb 0.92 3.17 0.01 0.00 -1.73 0.00 0.00 68.15 70.52 2ky9 h THR 105 CO 0.08 0.60 -1.38 -1.28 -0.25 0.00 0.00 175.52 173.29 2ky9 h SER 106 N -0.75 0.52 0.00 5.36 0.87 -1.90 -3.48 113.55 114.16 2ky9 h SER 106 Ca -0.03 -0.59 0.00 0.00 -1.23 0.00 0.00 61.79 59.94 2ky9 h SER 106 Cb 1.10 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 2ky9 h SER 106 CO 0.04 1.47 0.00 0.61 -0.53 0.00 0.00 176.83 178.42 2ky9 n GLY 107 N 1.62 0.83 3.75 5.77 0.00 -0.28 -5.05 105.19 111.83 2ky9 n GLY 107 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.19 4.67 -0.44 1.61 2.56 -1.26 -4.79 118.70 120.87 2ky9 s GLU 108 Ca 0.00 1.31 -0.25 0.00 0.00 0.00 0.00 54.97 56.02 2ky9 s GLU 108 Cb 0.00 -3.31 0.02 0.00 2.00 0.00 0.00 34.13 32.84 2ky9 s GLU 108 CO 0.00 0.42 0.91 0.15 -0.56 0.00 0.00 175.26 176.18 2ky9 s LYS 109 N -0.70 3.60 -0.22 4.30 3.01 -1.26 -1.35 119.74 127.11 2ky9 s LYS 109 Ca 0.40 0.23 -0.04 0.00 -1.01 0.00 0.00 55.97 55.55 2ky9 s LYS 109 Cb -0.24 -3.90 -0.01 0.00 -1.01 0.00 0.00 37.83 32.68 2ky9 s LYS 109 CO 0.28 -1.14 -0.02 0.08 0.51 0.00 0.00 175.35 175.06 2ky9 s VAL 110 N 3.63 3.56 0.14 3.17 1.01 -0.58 -5.01 120.40 126.31 2ky9 s VAL 110 Ca 0.36 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 61.99 2ky9 s VAL 110 Cb -0.11 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 2ky9 s VAL 110 CO 0.24 0.41 -0.10 -1.59 0.00 0.00 0.00 175.10 174.06 2ky9 s LYS 111 N 1.49 2.09 -1.38 2.72 -2.85 -1.26 -1.08 119.74 119.47 2ky9 s LYS 111 Ca 0.06 -1.14 -0.07 0.00 -1.00 0.00 0.00 55.97 53.82 2ky9 s LYS 111 Cb -0.14 -2.24 0.04 0.00 -2.06 0.00 0.00 37.83 33.43 2ky9 s LYS 111 CO -0.02 0.47 0.48 0.09 0.10 0.00 0.00 175.35 176.48 2ky9 n ASN 112 N 0.37 -4.68 -4.73 0.03 5.03 -1.17 -4.93 115.26 105.18 2ky9 n ASN 112 Ca -0.12 -0.29 -0.42 0.00 0.87 0.00 0.00 54.58 54.61 2ky9 n ASN 112 Cb 0.54 -3.84 -0.02 0.00 -1.02 0.00 0.00 39.78 35.45 2ky9 n ASN 112 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 2ky9 n HIS 113 N -4.11 2.68 -4.03 3.10 -0.00 0.47 -4.67 115.22 108.65 2ky9 n HIS 113 Ca -0.07 0.34 -0.15 0.00 0.46 0.00 0.00 57.72 58.30 2ky9 n HIS 113 Cb 0.58 -2.55 -0.15 0.00 -0.12 0.00 0.00 29.99 27.76 2ky9 n HIS 113 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 2ky9 s LYS 114 N -0.78 0.30 0.22 1.57 1.02 -1.26 -2.09 119.74 118.72 2ky9 s LYS 114 Ca 0.63 -0.08 0.10 0.00 0.02 0.00 0.00 55.97 56.64 2ky9 s LYS 114 Cb -0.53 -0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 36.40 2ky9 s LYS 114 CO 0.52 0.02 -0.09 -1.58 -0.92 0.00 0.00 175.35 173.30 2ky9 s TRP 115 N 0.20 2.58 0.13 3.18 0.52 -1.26 -4.90 118.94 119.38 2ky9 s TRP 115 Ca -0.02 -0.25 0.07 0.00 0.02 0.00 0.00 56.10 55.92 2ky9 s TRP 115 Cb -0.05 -1.20 -0.04 0.00 -1.15 0.00 0.00 33.47 31.03 2ky9 s TRP 115 CO -0.00 0.58 -0.16 0.14 0.02 0.00 0.00 176.95 177.52 2ky9 s VAL 116 N -2.01 1.47 0.26 4.03 -7.23 -1.20 -4.20 120.40 111.52 2ky9 s VAL 116 Ca 0.27 -1.73 0.06 0.00 -1.81 0.00 0.00 61.98 58.78 2ky9 s VAL 116 Cb -0.07 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 35.25 2ky9 s VAL 116 CO 0.16 -0.35 0.27 0.42 -0.31 0.00 0.00 175.10 175.30 2ky9 s THR 117 N -1.98 4.61 0.47 5.32 -4.23 -1.26 -0.95 115.64 117.62 2ky9 s THR 117 Ca 0.10 -1.24 0.22 0.00 -1.18 0.00 0.00 61.69 59.58 2ky9 s THR 117 Cb -0.06 -3.53 0.26 0.00 1.34 0.00 0.00 72.50 70.51 2ky9 s THR 117 CO 0.04 -0.32 2.08 -0.08 -0.54 0.00 0.00 174.62 175.80 2ky9 h GLU 118 N 1.33 0.00 0.00 3.99 4.81 -1.92 -1.37 114.58 121.42 2ky9 h GLU 118 Ca -0.49 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 2ky9 h GLU 118 Cb 1.24 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 2ky9 h GLU 118 CO 0.60 0.11 -0.10 -0.44 -0.73 0.00 0.00 179.01 178.46 2ky9 h ASP 119 N 0.00 0.00 -0.02 1.04 5.19 -1.95 -1.87 116.42 118.81 2ky9 h ASP 119 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2ky9 h ASP 119 Cb 0.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 2ky9 h ASP 119 CO 0.01 0.10 0.00 -0.62 -3.12 0.00 0.00 179.24 175.61 2ky9 n GLU 120 N -3.76 1.79 -5.26 3.56 1.02 -0.52 -4.80 120.64 112.67 2ky9 n GLU 120 Ca -0.02 -1.15 -0.31 0.00 -0.02 0.00 0.00 57.16 55.66 2ky9 n GLU 120 Cb 0.20 -1.48 -0.16 0.00 -0.02 0.00 0.00 31.44 29.99 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 -2.00 2.07 -0.09 -4.62 1.43 -0.70 -0.87 118.68 113.90 2ky9 s LEU 121 Ca 0.36 -0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 52.98 2ky9 s LEU 121 Cb 0.21 -1.34 0.02 0.00 0.03 0.00 0.00 46.19 45.11 2ky9 s LEU 121 CO 0.33 0.31 -0.06 -0.44 0.23 0.00 0.00 176.35 176.72 2ky9 s SER 122 N -0.68 1.79 -0.11 2.29 0.01 -0.38 -4.94 113.70 111.69 2ky9 s SER 122 Ca 0.10 -0.22 -0.33 0.00 1.31 0.00 0.00 55.95 56.81 2ky9 s SER 122 Cb -0.10 -0.68 -0.10 0.00 0.21 0.00 0.00 66.02 65.34 2ky9 s SER 122 CO -0.01 -0.10 1.98 0.00 0.41 0.00 0.00 173.24 175.52 2ky9 n ALA 123 N 4.69 1.16 -2.61 1.44 0.00 -1.26 -0.89 120.51 123.04 2ky9 n ALA 123 Ca -0.15 0.16 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 2ky9 n ALA 123 Cb 0.50 -2.60 -0.02 0.00 0.00 0.00 0.00 19.45 17.33 2ky9 n ALA 123 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2ky9 s LYS 124 N 4.68 3.72 0.74 0.00 2.20 -0.86 -4.85 119.74 125.37 2ky9 s LYS 124 Ca 0.95 -1.46 -0.09 0.00 -0.36 0.00 0.00 55.97 55.00 2ky9 s LYS 124 Cb -0.61 -5.36 0.06 0.00 -1.51 0.00 0.00 37.83 30.41 2ky9 s LYS 124 CO 0.47 -2.17 1.08 -0.51 -0.36 0.00 0.00 175.35 173.87 2ky9 s LEU 125 N 4.47 2.72 0.55 5.43 1.02 -1.26 -4.88 118.68 126.73 2ky9 s LEU 125 Ca 0.47 0.68 0.29 0.00 0.02 0.00 0.00 54.13 55.59 2ky9 s LEU 125 Cb 0.01 -3.29 1.58 0.00 0.02 0.00 0.00 46.19 44.50 2ky9 s LEU 125 CO -0.05 -1.66 2.12 1.05 0.02 0.00 0.00 176.35 177.83 2ky9 h GLU 126 N -0.77 0.00 -6.00 1.70 4.11 -2.03 -3.41 114.58 108.18 2ky9 h GLU 126 Ca -0.45 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.45 2ky9 h GLU 126 Cb 1.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 2ky9 h GLU 126 CO 0.63 0.09 1.41 -1.58 0.07 0.00 0.00 179.01 179.62 2ky9 s HIS 127 N -4.24 1.52 -0.32 2.06 2.46 -1.26 -4.97 115.29 110.54 2ky9 s HIS 127 Ca -0.03 0.88 -0.23 0.00 0.47 0.00 0.00 55.06 56.14 2ky9 s HIS 127 Cb 0.13 -3.97 0.00 0.00 -0.13 0.00 0.00 32.58 28.61 2ky9 s HIS 127 CO 0.56 -2.78 0.79 -1.01 -2.47 0.00 0.00 174.74 169.84 2ky9 s HIS 128 N 8.96 3.18 0.37 3.88 3.76 -1.26 -4.95 115.29 129.22 2ky9 s HIS 128 Ca 0.82 0.76 0.10 0.00 -0.15 0.00 0.00 55.06 56.59 2ky9 s HIS 128 Cb -0.19 -3.28 0.73 0.00 1.11 0.00 0.00 32.58 30.95 2ky9 s HIS 128 CO 0.28 -0.61 1.86 1.12 -0.85 0.00 0.00 174.74 176.53 2ky9 h HIS 129 N 8.21 0.15 -1.93 1.40 2.07 -1.96 -3.42 115.15 119.68 2ky9 h HIS 129 Ca -0.24 -0.03 -0.04 0.00 -2.85 0.00 0.00 60.37 57.21 2ky9 h HIS 129 Cb 1.09 -0.04 -0.25 0.00 2.57 0.00 0.00 27.41 30.78 2ky9 h HIS 129 CO 0.78 0.39 -0.33 -1.58 -3.07 0.00 0.00 177.93 174.12 2ky9 s HIS 130 N -4.46 -1.08 0.98 6.12 5.65 -1.26 -5.18 115.29 116.06 2ky9 s HIS 130 Ca -0.04 1.53 -0.16 0.00 0.25 0.00 0.00 55.06 56.64 2ky9 s HIS 130 Cb 0.15 0.38 0.20 0.00 -1.18 0.00 0.00 32.58 32.13 2ky9 s HIS 130 CO 0.73 -0.67 1.30 -3.38 -0.65 0.00 0.00 174.74 172.08 2ky9 s HIS 131 N 2.70 1.53 -2.00 3.88 -0.00 -1.26 -5.27 115.29 114.88 2ky9 s HIS 131 Ca 0.06 0.35 0.11 0.00 -0.00 0.00 0.00 55.06 55.58 2ky9 s HIS 131 Cb -0.14 -4.04 0.66 0.00 -0.00 0.00 0.00 32.58 29.06 2ky9 s HIS 131 CO -0.16 -2.74 1.10 1.58 -0.00 0.00 0.00 174.74 174.51