#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ky9 s LYS 2 N 0.00 3.34 0.23 3.17 2.20 -1.26 -4.96 119.74 122.47 2ky9 s LYS 2 Ca 0.00 -0.79 -0.31 0.00 -0.36 0.00 0.00 55.97 54.51 2ky9 s LYS 2 Cb 0.00 -2.85 -0.11 0.00 -1.51 0.00 0.00 37.83 33.36 2ky9 s LYS 2 CO 0.00 0.29 1.62 0.08 -0.36 0.00 0.00 175.35 176.98 2ky9 s VAL 3 N -2.08 2.21 0.00 4.02 1.01 -1.26 -2.95 120.40 121.35 2ky9 s VAL 3 Ca 0.38 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.52 2ky9 s VAL 3 Cb -0.09 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2ky9 s VAL 3 CO 0.30 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.03 2ky9 n GLY 4 N 3.13 0.53 3.73 4.51 0.00 -0.05 -5.04 105.19 112.00 2ky9 n GLY 4 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2ky9 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ky9 s SER 5 N -2.01 7.24 -0.23 1.61 0.01 -1.15 -4.80 113.70 114.36 2ky9 s SER 5 Ca 0.00 2.07 -0.15 0.00 1.31 0.00 0.00 55.95 59.19 2ky9 s SER 5 Cb 0.00 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 2ky9 s SER 5 CO 0.00 -0.26 0.35 -1.10 0.41 0.00 0.00 173.24 172.64 2ky9 s GLN 6 N -0.14 4.11 0.12 12.44 1.11 -1.26 -1.25 119.66 134.78 2ky9 s GLN 6 Ca 0.51 0.07 0.05 0.00 0.01 0.00 0.00 55.36 56.00 2ky9 s GLN 6 Cb -0.29 -3.57 -0.04 0.00 -1.01 0.00 0.00 33.01 28.10 2ky9 s GLN 6 CO 0.34 -0.09 -0.13 0.14 0.01 0.00 0.00 175.29 175.55 2ky9 s VAL 7 N 1.49 1.26 -0.19 1.09 -7.23 -0.49 -2.87 120.40 113.45 2ky9 s VAL 7 Ca 0.16 -1.69 -0.12 0.00 -1.81 0.00 0.00 61.98 58.52 2ky9 s VAL 7 Cb -0.15 -1.48 -0.05 0.00 0.56 0.00 0.00 36.38 35.26 2ky9 s VAL 7 CO 0.08 -0.43 0.22 -0.63 -0.31 0.00 0.00 175.10 174.03 2ky9 s ILE 8 N -2.15 5.34 -0.46 -0.62 -1.09 0.24 -0.65 121.20 121.81 2ky9 s ILE 8 Ca 0.08 0.37 -0.29 0.00 -2.23 0.00 0.00 60.65 58.58 2ky9 s ILE 8 Cb -0.05 -3.56 0.02 0.00 -1.58 0.00 0.00 42.46 37.29 2ky9 s ILE 8 CO 0.02 0.39 1.25 -0.63 -1.23 0.00 0.00 174.94 174.74 2ky9 s ILE 9 N 0.61 4.08 -0.17 2.92 1.01 -0.89 -1.10 121.20 127.65 2ky9 s ILE 9 Ca 0.12 1.10 -0.18 0.00 0.00 0.00 0.00 60.65 61.69 2ky9 s ILE 9 Cb -0.12 -4.45 -0.15 0.00 0.01 0.00 0.00 42.46 37.75 2ky9 s ILE 9 CO 0.02 -0.92 0.19 -1.13 0.00 0.00 0.00 174.94 173.10 2ky9 h ASN 10 N 9.83 0.00 -3.13 3.58 -1.24 -1.72 -0.94 115.58 121.98 2ky9 h ASN 10 Ca -0.25 -0.42 -0.59 0.00 0.71 0.00 0.00 56.30 55.75 2ky9 h ASN 10 Cb 1.08 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.08 2ky9 h ASN 10 CO 1.11 1.16 -0.12 -0.89 -1.29 0.00 0.00 177.43 177.39 2ky9 s THR 11 N -2.24 4.89 -0.07 -3.57 2.01 -0.61 -4.75 115.64 111.30 2ky9 s THR 11 Ca -0.22 0.99 0.00 0.00 0.31 0.00 0.00 61.69 62.78 2ky9 s THR 11 Cb 0.03 -3.79 0.02 0.00 0.01 0.00 0.00 72.50 68.77 2ky9 s THR 11 CO 0.47 0.55 -0.05 -0.94 -0.69 0.00 0.00 174.62 173.96 2ky9 s SER 12 N -1.14 1.49 0.24 3.53 1.04 -1.26 -4.85 113.70 112.74 2ky9 s SER 12 Ca 0.27 -0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.56 2ky9 s SER 12 Cb -0.18 -0.57 0.25 0.00 0.10 0.00 0.00 66.02 65.62 2ky9 s SER 12 CO 0.16 -0.10 1.57 0.45 0.98 0.00 0.00 173.24 176.30 2ky9 h HIS 13 N 7.70 0.38 -3.96 5.02 3.86 -1.99 -3.43 115.15 122.73 2ky9 h HIS 13 Ca -0.30 -0.14 -0.69 0.00 -1.16 0.00 0.00 60.37 58.09 2ky9 h HIS 13 Cb 1.14 -0.07 -0.26 0.00 1.06 0.00 0.00 27.41 29.29 2ky9 h HIS 13 CO 0.49 0.79 -0.80 -1.64 0.86 0.00 0.00 177.93 177.63 2ky9 s MET 14 N -3.86 2.63 0.49 2.45 -1.94 -1.26 -5.06 119.30 112.74 2ky9 s MET 14 Ca -0.05 -0.75 0.14 0.00 -1.71 0.00 0.00 55.69 53.32 2ky9 s MET 14 Cb 0.12 -2.36 1.16 0.00 2.01 0.00 0.00 34.83 35.76 2ky9 s MET 14 CO 0.80 0.51 2.12 1.57 -0.01 0.00 0.00 175.02 180.01 2ky9 h LYS 15 N 5.71 0.12 0.00 2.03 5.09 -2.00 -1.89 116.57 125.63 2ky9 h LYS 15 Ca -0.40 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.33 2ky9 h LYS 15 Cb 1.16 -0.03 0.00 0.00 0.10 0.00 0.00 32.23 33.47 2ky9 h LYS 15 CO 0.50 0.09 0.00 0.41 -2.09 0.00 0.00 179.45 178.37 2ky9 n GLY 16 N -1.48 -1.11 0.10 0.07 0.00 -1.26 -3.50 105.19 98.01 2ky9 n GLY 16 Ca -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 2ky9 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2ky9 h MET 17 N 0.00 0.00 -6.32 1.61 2.86 -1.69 0.17 114.93 111.56 2ky9 h MET 17 Ca 0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.10 2ky9 h MET 17 Cb 0.16 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 2ky9 h MET 17 CO 0.00 0.47 1.02 0.21 1.06 0.00 0.00 176.91 179.66 2ky9 s LYS 18 N -2.84 4.20 0.00 1.72 2.20 -1.23 -1.81 119.74 121.99 2ky9 s LYS 18 Ca -0.01 2.16 0.00 0.00 -0.36 0.00 0.00 55.97 57.76 2ky9 s LYS 18 Cb 0.08 -3.82 0.00 0.00 -1.51 0.00 0.00 37.83 32.58 2ky9 s LYS 18 CO 0.80 -0.77 0.00 0.41 -0.36 0.00 0.00 175.35 175.43 2ky9 n GLY 19 N 4.00 1.21 3.82 5.54 0.00 -0.36 -4.91 105.19 114.48 2ky9 n GLY 19 Ca 0.16 0.00 -0.33 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 -2.99 3.00 -0.63 4.61 0.00 -0.75 -4.79 121.76 120.21 2ky9 s ALA 20 Ca 0.00 0.42 -0.21 0.00 0.00 0.00 0.00 51.96 52.16 2ky9 s ALA 20 Cb 0.00 -3.17 0.08 0.00 0.00 0.00 0.00 23.12 20.03 2ky9 s ALA 20 CO 0.00 -0.03 0.88 -1.21 0.00 0.00 0.00 175.76 175.39 2ky9 s GLU 21 N -3.33 3.10 0.42 0.00 2.02 -1.26 -2.10 118.70 117.56 2ky9 s GLU 21 Ca 0.63 -0.94 0.01 0.00 0.02 0.00 0.00 54.97 54.69 2ky9 s GLU 21 Cb -0.11 -4.22 -0.01 0.00 0.10 0.00 0.00 34.13 29.89 2ky9 s GLU 21 CO 0.17 -1.69 0.63 0.00 0.02 0.00 0.00 175.26 174.39 2ky9 s ALA 22 N 3.61 3.78 -0.05 5.21 0.00 0.17 -4.15 121.76 130.34 2ky9 s ALA 22 Ca 0.19 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 51.12 2ky9 s ALA 22 Cb -0.19 -2.10 0.01 0.00 0.00 0.00 0.00 23.12 20.85 2ky9 s ALA 22 CO 0.10 -0.28 -0.10 0.99 0.00 0.00 0.00 175.76 176.47 2ky9 s THR 23 N -2.48 0.92 -0.58 0.00 2.01 -0.28 -1.40 115.64 113.83 2ky9 s THR 23 Ca 0.46 -0.37 -0.27 0.00 0.31 0.00 0.00 61.69 61.82 2ky9 s THR 23 Cb -0.10 -0.86 0.00 0.00 0.01 0.00 0.00 72.50 71.56 2ky9 s THR 23 CO 0.37 0.30 1.57 -0.69 -0.69 0.00 0.00 174.62 175.48 2ky9 s VAL 24 N 0.64 3.62 -0.81 3.82 1.01 -0.38 -1.59 120.40 126.72 2ky9 s VAL 24 Ca -0.12 0.48 0.23 0.00 0.00 0.00 0.00 61.98 62.56 2ky9 s VAL 24 Cb -0.14 -4.27 -0.15 0.00 0.00 0.00 0.00 36.38 31.82 2ky9 s VAL 24 CO 0.02 -1.11 1.03 0.35 0.00 0.00 0.00 175.10 175.40 2ky9 n THR 25 N 6.96 0.06 -3.65 3.92 -2.24 -0.08 -0.87 114.28 118.38 2ky9 n THR 25 Ca 0.15 -0.11 -0.14 0.00 -2.27 0.00 0.00 64.05 61.68 2ky9 n THR 25 Cb 0.50 0.50 -0.07 0.00 -2.10 0.00 0.00 70.33 69.16 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 -3.32 -0.50 -0.14 3.38 0.00 -0.81 -4.95 107.32 100.98 2ky9 s GLY 26 Ca 0.06 1.90 0.01 0.00 0.00 0.00 0.00 44.72 46.69 2ky9 s GLY 26 CO 0.81 1.65 -0.16 0.00 0.00 0.00 0.00 173.10 175.40 2ky9 s ALA 27 N 0.39 1.90 -0.10 3.20 0.00 -1.26 -1.33 121.76 124.56 2ky9 s ALA 27 Ca -0.00 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2ky9 s ALA 27 Cb -0.05 -1.00 0.02 0.00 0.00 0.00 0.00 23.12 22.10 2ky9 s ALA 27 CO 0.00 -0.25 -0.09 0.71 0.00 0.00 0.00 175.76 176.13 2ky9 s TYR 28 N 1.25 1.54 -1.04 0.00 1.51 -0.62 -5.04 117.35 114.95 2ky9 s TYR 28 Ca 0.00 -0.73 -0.06 0.00 -1.01 0.00 0.00 57.07 55.27 2ky9 s TYR 28 Cb -0.14 -1.23 0.26 0.00 -0.11 0.00 0.00 41.96 40.75 2ky9 s TYR 28 CO -0.07 -0.47 1.01 -0.40 -1.11 0.00 0.00 175.55 174.50 2ky9 n ASP 29 N 4.65 5.07 -4.01 2.29 5.75 -1.26 -0.81 116.55 128.23 2ky9 n ASP 29 Ca -0.15 -3.09 -0.21 0.00 -0.01 0.00 0.00 54.79 51.32 2ky9 n ASP 29 Cb 0.50 -1.25 -0.09 0.00 -1.03 0.00 0.00 41.12 39.25 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 -1.38 0.45 -0.23 2.12 -1.32 -1.26 -4.98 115.64 109.04 2ky9 s THR 30 Ca 0.30 -2.00 -0.29 0.00 -1.21 0.00 0.00 61.69 58.49 2ky9 s THR 30 Cb -0.08 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 68.43 2ky9 s THR 30 CO -0.09 0.00 1.15 -0.89 -2.21 0.00 0.00 174.62 172.58 2ky9 s THR 31 N -3.43 4.46 -0.34 5.08 2.01 -1.26 -2.84 115.64 119.31 2ky9 s THR 31 Ca 0.32 1.74 -0.09 0.00 0.31 0.00 0.00 61.69 63.98 2ky9 s THR 31 Cb 0.04 -4.20 0.02 0.00 0.01 0.00 0.00 72.50 68.37 2ky9 s THR 31 CO 0.17 -0.24 0.14 0.00 -0.69 0.00 0.00 174.62 174.01 2ky9 s ALA 32 N 3.49 3.16 0.28 7.40 0.00 0.52 -3.00 121.76 133.62 2ky9 s ALA 32 Ca 0.49 -1.64 -0.13 0.00 0.00 0.00 0.00 51.96 50.68 2ky9 s ALA 32 Cb -0.17 -2.38 -0.08 0.00 0.00 0.00 0.00 23.12 20.49 2ky9 s ALA 32 CO 0.12 -1.23 0.66 0.71 0.00 0.00 0.00 175.76 176.02 2ky9 s TYR 33 N 1.50 3.40 -0.26 0.00 2.02 0.68 -2.89 117.35 121.81 2ky9 s TYR 33 Ca 0.01 1.08 -0.07 0.00 -0.37 0.00 0.00 57.07 57.72 2ky9 s TYR 33 Cb -0.19 -2.42 -0.02 0.00 -0.40 0.00 0.00 41.96 38.93 2ky9 s TYR 33 CO 0.05 0.17 0.07 0.08 -1.57 0.00 0.00 175.55 174.34 2ky9 s VAL 34 N -1.91 4.19 0.39 0.71 1.01 -0.68 -3.56 120.40 120.54 2ky9 s VAL 34 Ca 0.51 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.27 2ky9 s VAL 34 Cb -0.11 -3.00 -0.07 0.00 0.00 0.00 0.00 36.38 33.21 2ky9 s VAL 34 CO 0.19 0.28 0.04 0.68 0.00 0.00 0.00 175.10 176.29 2ky9 s VAL 35 N 1.58 2.25 -0.02 2.92 -7.23 -1.05 -0.57 120.40 118.29 2ky9 s VAL 35 Ca 0.06 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.29 2ky9 s VAL 35 Cb -0.15 -2.90 0.01 0.00 0.56 0.00 0.00 36.38 33.89 2ky9 s VAL 35 CO 0.03 -0.07 -0.02 -0.94 -0.31 0.00 0.00 175.10 173.79 2ky9 s SER 36 N -3.75 0.44 0.08 4.85 1.04 -0.72 -0.80 113.70 114.84 2ky9 s SER 36 Ca 0.36 -0.05 -0.15 0.00 0.48 0.00 0.00 55.95 56.59 2ky9 s SER 36 Cb 0.05 -0.15 0.03 0.00 0.10 0.00 0.00 66.02 66.05 2ky9 s SER 36 CO 0.19 -0.03 0.35 -0.72 0.98 0.00 0.00 173.24 174.01 2ky9 s TYR 37 N 0.46 -0.14 -0.39 5.02 1.13 -0.28 -1.12 117.35 122.04 2ky9 s TYR 37 Ca -0.05 -0.09 -0.14 0.00 -1.41 0.00 0.00 57.07 55.39 2ky9 s TYR 37 Cb -0.08 0.16 0.02 0.00 -1.10 0.00 0.00 41.96 40.96 2ky9 s TYR 37 CO -0.01 -0.60 0.26 0.99 -2.51 0.00 0.00 175.55 173.69 2ky9 s THR 38 N -3.22 5.08 0.01 -3.49 2.01 -1.26 -1.64 115.64 113.14 2ky9 s THR 38 Ca -0.00 -0.64 -0.33 0.00 0.31 0.00 0.00 61.69 61.02 2ky9 s THR 38 Cb 0.01 -3.79 -0.12 0.00 0.01 0.00 0.00 72.50 68.61 2ky9 s THR 38 CO -0.08 -0.24 1.80 -2.65 -0.69 0.00 0.00 174.62 172.76 2ky9 n PRO 39 N 5.11 2.28 0.25 4.92 -0.02 -1.26 -4.54 135.00 141.74 2ky9 n PRO 39 Ca -0.11 0.83 0.16 0.00 -2.02 0.00 0.00 63.50 62.36 2ky9 n PRO 39 Cb 0.47 -2.67 0.87 0.00 -0.02 0.00 0.00 33.50 32.15 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 4.88 0.48 0.00 3.45 1.35 -1.63 -2.11 112.91 119.33 2ky9 h THR 40 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 2ky9 h THR 40 Cb 1.26 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 2ky9 h THR 40 CO 0.93 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.74 2ky9 n ASN 41 N -3.80 0.00 -0.19 5.36 6.94 -1.26 -4.83 115.26 117.48 2ky9 n ASN 41 Ca -0.00 0.09 0.00 0.00 -0.02 0.00 0.00 54.58 54.65 2ky9 n ASN 41 Cb 0.23 -0.32 0.00 0.00 -2.36 0.00 0.00 39.78 37.33 2ky9 n ASN 41 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2ky9 n GLY 42 N 0.35 1.02 3.92 4.83 0.00 -0.82 -5.11 105.19 109.38 2ky9 n GLY 42 Ca 0.08 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 2ky9 n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ky9 s GLY 43 N -2.44 1.50 0.01 -0.02 0.00 -1.06 -5.03 107.32 100.28 2ky9 s GLY 43 Ca 0.00 -0.68 -0.33 0.00 0.00 0.00 0.00 44.72 43.71 2ky9 s GLY 43 CO 0.00 -0.57 1.82 -0.18 0.00 0.00 0.00 173.10 174.17 2ky9 n GLN 44 N -1.80 2.33 -1.67 2.90 7.27 -1.26 -4.32 117.38 120.82 2ky9 n GLN 44 Ca -0.02 0.85 -0.49 0.00 0.07 0.00 0.00 57.00 57.41 2ky9 n GLN 44 Cb 0.55 -2.70 -0.05 0.00 2.41 0.00 0.00 30.24 30.46 2ky9 n GLN 44 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 2ky9 n ARG 45 N 5.89 1.98 -3.85 3.69 0.00 -1.26 -4.68 116.66 118.42 2ky9 n ARG 45 Ca 0.20 0.72 -0.36 0.00 -0.00 0.00 0.00 57.85 58.42 2ky9 n ARG 45 Cb 0.32 -2.51 -0.11 0.00 0.00 0.00 0.00 32.46 30.16 2ky9 n ARG 45 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2ky9 s VAL 46 N 2.68 4.70 0.10 5.15 1.01 -0.65 -5.03 120.40 128.36 2ky9 s VAL 46 Ca 0.88 -0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.90 2ky9 s VAL 46 Cb -0.75 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2ky9 s VAL 46 CO 0.48 0.38 -0.21 -1.81 0.00 0.00 0.00 175.10 173.94 2ky9 s ASP 47 N 1.07 3.69 -1.46 3.32 1.11 -1.26 -1.13 116.67 122.02 2ky9 s ASP 47 Ca 0.05 -0.58 -0.09 0.00 0.18 0.00 0.00 52.55 52.11 2ky9 s ASP 47 Cb -0.14 -0.47 0.03 0.00 1.07 0.00 0.00 42.92 43.41 2ky9 s ASP 47 CO 0.03 0.20 0.90 1.41 1.18 0.00 0.00 175.17 178.89 2ky9 n HIS 48 N 1.04 -2.38 -2.22 4.23 8.25 -0.89 -4.97 115.22 118.29 2ky9 n HIS 48 Ca -0.16 0.79 -0.41 0.00 -0.26 0.00 0.00 57.72 57.68 2ky9 n HIS 48 Cb 0.53 -4.47 -0.03 0.00 1.12 0.00 0.00 29.99 27.14 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 -3.24 3.21 0.02 4.41 5.04 0.01 -4.80 115.29 119.95 2ky9 s HIS 49 Ca 0.50 1.42 -0.20 0.00 -1.54 0.00 0.00 55.06 55.24 2ky9 s HIS 49 Cb -0.23 -3.58 0.04 0.00 0.04 0.00 0.00 32.58 28.85 2ky9 s HIS 49 CO 0.61 -1.59 0.44 -1.59 -2.34 0.00 0.00 174.74 170.28 2ky9 s LYS 50 N -1.29 0.91 -0.18 2.88 -2.85 -1.26 -2.53 119.74 115.42 2ky9 s LYS 50 Ca 0.50 -0.24 -0.05 0.00 -1.00 0.00 0.00 55.97 55.18 2ky9 s LYS 50 Cb -0.37 0.41 -0.03 0.00 -2.06 0.00 0.00 37.83 35.78 2ky9 s LYS 50 CO 0.47 -0.30 0.01 -1.58 0.10 0.00 0.00 175.35 174.04 2ky9 s TRP 51 N -2.12 3.11 -0.00 1.78 0.52 -1.26 -4.96 118.94 116.00 2ky9 s TRP 51 Ca -0.07 -0.19 0.06 0.00 0.02 0.00 0.00 56.10 55.92 2ky9 s TRP 51 Cb -0.01 -2.03 -0.03 0.00 -1.15 0.00 0.00 33.47 30.24 2ky9 s TRP 51 CO 0.00 -0.01 -0.19 0.14 0.02 0.00 0.00 176.95 176.91 2ky9 s VAL 52 N 0.52 2.65 0.45 4.03 -7.23 -1.23 -4.24 120.40 115.35 2ky9 s VAL 52 Ca -0.00 -1.04 0.03 0.00 -1.81 0.00 0.00 61.98 59.15 2ky9 s VAL 52 Cb -0.14 -2.04 -0.03 0.00 0.56 0.00 0.00 36.38 34.73 2ky9 s VAL 52 CO 0.02 0.47 0.05 0.27 -0.31 0.00 0.00 175.10 175.60 2ky9 s ILE 53 N -0.78 1.04 0.18 -0.62 -4.36 -1.26 -0.23 121.20 115.17 2ky9 s ILE 53 Ca 0.12 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.35 2ky9 s ILE 53 Cb -0.10 -2.35 0.15 0.00 1.25 0.00 0.00 42.46 41.40 2ky9 s ILE 53 CO 0.02 0.00 1.64 -0.61 0.24 0.00 0.00 174.94 176.24 2ky9 h GLN 54 N 1.60 -0.03 0.00 0.37 5.75 -1.94 -2.43 115.11 118.43 2ky9 h GLN 54 Ca -0.41 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.10 2ky9 h GLN 54 Cb 1.29 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.85 2ky9 h GLN 54 CO 0.68 -0.02 0.00 -0.85 -2.65 0.00 0.00 178.83 175.99 2ky9 n GLU 55 N -5.37 0.23 0.08 1.69 -0.00 -1.26 -2.64 120.64 113.37 2ky9 n GLU 55 Ca 0.04 0.08 -0.08 0.00 -0.00 0.00 0.00 57.16 57.20 2ky9 n GLU 55 Cb 0.27 -1.50 -0.10 0.00 -0.00 0.00 0.00 31.44 30.12 2ky9 n GLU 55 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2ky9 h GLU 56 N 0.00 0.07 -5.53 3.44 4.22 -1.85 -3.46 114.58 111.47 2ky9 h GLU 56 Ca 0.00 -0.11 -0.59 0.00 0.08 0.00 0.00 59.36 58.74 2ky9 h GLU 56 Cb 0.26 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.45 2ky9 h GLU 56 CO 0.00 1.01 -0.32 0.42 -2.18 0.00 0.00 179.01 177.94 2ky9 s ILE 57 N -2.80 5.30 0.10 2.32 1.01 -1.08 -3.09 121.20 122.94 2ky9 s ILE 57 Ca -0.00 0.56 -0.20 0.00 0.00 0.00 0.00 60.65 61.01 2ky9 s ILE 57 Cb 0.10 -3.63 -0.08 0.00 0.01 0.00 0.00 42.46 38.85 2ky9 s ILE 57 CO 0.83 0.41 1.64 0.50 0.00 0.00 0.00 174.94 178.32 2ky9 h LYS 58 N 6.49 0.30 0.00 2.79 3.64 -1.87 -3.15 116.57 124.77 2ky9 h LYS 58 Ca -0.42 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2ky9 h LYS 58 Cb 1.17 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2ky9 h LYS 58 CO 0.74 0.35 0.00 -0.25 -2.27 0.00 0.00 179.45 178.02 2ky9 n ASP 59 N -4.83 0.00 -0.35 4.20 9.92 -1.26 -4.13 116.55 120.09 2ky9 n ASP 59 Ca -0.04 -0.35 -0.10 0.00 -0.53 0.00 0.00 54.79 53.76 2ky9 n ASP 59 Cb 0.12 -0.13 -0.09 0.00 -0.64 0.00 0.00 41.12 40.37 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 3.15 -0.53 -0.54 2.24 0.00 -1.83 -3.47 119.26 118.29 2ky9 h ALA 60 Ca 0.00 0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.78 2ky9 h ALA 60 Cb 0.09 1.32 -0.09 0.00 0.00 0.00 0.00 17.79 19.10 2ky9 h ALA 60 CO 0.00 -0.90 -0.21 0.41 0.00 0.00 0.00 179.25 178.55 2ky9 n GLY 61 N -1.24 1.19 2.68 0.00 0.00 -1.26 -2.33 105.19 104.23 2ky9 n GLY 61 Ca 0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.49 -5.20 -4.80 1.61 9.92 -1.26 -5.01 116.55 111.32 2ky9 n ASP 62 Ca -0.11 0.12 -0.24 0.00 -0.53 0.00 0.00 54.79 54.02 2ky9 n ASP 62 Cb 0.46 -3.11 -0.05 0.00 -0.64 0.00 0.00 41.12 37.78 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 -2.07 2.87 -0.40 -1.24 -2.85 -0.99 -5.08 119.74 109.97 2ky9 s LYS 63 Ca 0.00 -0.98 -0.29 0.00 -1.00 0.00 0.00 55.97 53.70 2ky9 s LYS 63 Cb 0.00 -2.58 0.01 0.00 -2.06 0.00 0.00 37.83 33.20 2ky9 s LYS 63 CO 0.00 0.44 1.34 0.99 0.10 0.00 0.00 175.35 178.22 2ky9 s THR 64 N -1.93 4.01 -0.07 3.79 2.01 -1.26 -4.93 115.64 117.25 2ky9 s THR 64 Ca 0.32 1.05 -0.30 0.00 0.31 0.00 0.00 61.69 63.07 2ky9 s THR 64 Cb -0.09 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 2ky9 s THR 64 CO 0.24 -0.75 1.20 -0.76 -0.69 0.00 0.00 174.62 173.86 2ky9 s LEU 65 N 5.05 4.26 0.24 4.42 1.43 -1.26 -5.05 118.68 127.77 2ky9 s LEU 65 Ca 0.58 1.79 0.11 0.00 -1.03 0.00 0.00 54.13 55.58 2ky9 s LEU 65 Cb -0.13 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 2ky9 s LEU 65 CO 0.31 -0.60 -0.21 -1.10 0.23 0.00 0.00 176.35 174.97 2ky9 s GLN 66 N 2.38 1.59 -0.46 1.70 -0.21 -1.26 -4.78 119.66 118.61 2ky9 s GLN 66 Ca 0.55 -1.66 -0.45 0.00 0.02 0.00 0.00 55.36 53.83 2ky9 s GLN 66 Cb -0.24 -1.74 -0.19 0.00 1.00 0.00 0.00 33.01 31.84 2ky9 s GLN 66 CO 0.21 0.34 1.81 -2.30 -2.12 0.00 0.00 175.29 173.23 2ky9 n PRO 67 N -0.25 0.20 0.00 2.91 -0.02 -1.25 -1.75 135.00 134.84 2ky9 n PRO 67 Ca -0.08 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2ky9 n PRO 67 Cb 0.58 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 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 5.21 1.25 3.51 -1.23 0.00 -1.24 -5.05 105.19 107.65 2ky9 n GLY 68 Ca 0.38 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.96 6.25 -0.07 1.61 1.01 -0.72 -4.94 116.67 117.85 2ky9 s ASP 69 Ca 0.00 -0.53 -0.30 0.00 0.71 0.00 0.00 52.55 52.44 2ky9 s ASP 69 Cb 0.00 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 2ky9 s ASP 69 CO 0.00 -1.50 1.50 -1.10 0.21 0.00 0.00 175.17 174.28 2ky9 s GLN 70 N 4.60 4.21 0.12 8.23 1.11 -1.26 -1.80 119.66 134.87 2ky9 s GLN 70 Ca 0.31 2.01 0.04 0.00 0.01 0.00 0.00 55.36 57.72 2ky9 s GLN 70 Cb -0.12 -3.84 -0.04 0.00 -1.01 0.00 0.00 33.01 27.99 2ky9 s GLN 70 CO 0.16 -0.76 -0.11 0.14 0.01 0.00 0.00 175.29 174.73 2ky9 s VAL 71 N 3.58 1.09 -0.11 1.09 -7.23 -0.10 -4.98 120.40 113.72 2ky9 s VAL 71 Ca 0.66 -1.84 -0.04 0.00 -1.81 0.00 0.00 61.98 58.96 2ky9 s VAL 71 Cb -0.30 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.01 2ky9 s VAL 71 CO 0.25 -0.63 0.02 -0.63 -0.31 0.00 0.00 175.10 173.81 2ky9 s ILE 72 N -2.80 4.48 -0.11 -0.62 -1.09 -1.26 -0.68 121.20 119.12 2ky9 s ILE 72 Ca 0.11 -0.17 -0.22 0.00 -2.23 0.00 0.00 60.65 58.13 2ky9 s ILE 72 Cb -0.01 -2.93 -0.03 0.00 -1.58 0.00 0.00 42.46 37.91 2ky9 s ILE 72 CO 0.01 0.57 0.67 -0.76 -1.23 0.00 0.00 174.94 174.20 2ky9 s LEU 73 N -0.53 4.26 -0.09 2.97 1.43 -1.20 -3.43 118.68 122.09 2ky9 s LEU 73 Ca 0.10 1.07 0.12 0.00 -1.03 0.00 0.00 54.13 54.38 2ky9 s LEU 73 Cb -0.12 -3.01 -0.24 0.00 0.03 0.00 0.00 46.19 42.85 2ky9 s LEU 73 CO 0.02 -0.16 0.47 -0.62 0.23 0.00 0.00 176.35 176.29 2ky9 n GLU 74 N 4.17 0.66 -3.32 1.70 -0.58 -1.18 -2.73 120.64 119.36 2ky9 n GLU 74 Ca -0.01 0.22 -0.23 0.00 -0.42 0.00 0.00 57.16 56.71 2ky9 n GLU 74 Cb 0.51 -1.72 -0.01 0.00 -0.57 0.00 0.00 31.44 29.65 2ky9 n GLU 74 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ky9 s ALA 75 N -2.57 3.73 -0.12 0.62 0.00 -1.25 -4.95 121.76 117.22 2ky9 s ALA 75 Ca -0.09 -0.96 -0.06 0.00 0.00 0.00 0.00 51.96 50.85 2ky9 s ALA 75 Cb 0.07 -2.09 0.05 0.00 0.00 0.00 0.00 23.12 21.15 2ky9 s ALA 75 CO 0.81 -0.08 0.27 -1.54 0.00 0.00 0.00 175.76 175.22 2ky9 s SER 76 N -4.07 -0.20 0.00 0.00 1.04 -1.26 -4.41 113.70 104.79 2ky9 s SER 76 Ca 0.42 0.58 0.16 0.00 0.48 0.00 0.00 55.95 57.59 2ky9 s SER 76 Cb -0.10 0.50 0.56 0.00 0.10 0.00 0.00 66.02 67.09 2ky9 s SER 76 CO 0.36 -0.18 1.42 1.41 0.98 0.00 0.00 173.24 177.23 2ky9 n HIS 77 N 4.41 0.30 -3.57 5.02 8.25 -1.26 -4.92 115.22 123.45 2ky9 n HIS 77 Ca -0.22 -0.15 -0.06 0.00 -0.26 0.00 0.00 57.72 57.03 2ky9 n HIS 77 Cb 0.53 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.61 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 -1.70 0.48 0.12 -0.41 0.00 -1.26 -5.12 119.30 111.40 2ky9 s MET 78 Ca 0.27 -0.13 -0.30 0.00 0.00 0.00 0.00 55.69 55.53 2ky9 s MET 78 Cb 0.14 0.22 -0.06 0.00 0.00 0.00 0.00 34.83 35.13 2ky9 s MET 78 CO 0.21 -0.20 1.10 0.21 0.00 0.00 0.00 175.02 176.34 2ky9 s LYS 79 N -2.41 4.55 0.00 3.16 2.20 -1.26 -2.97 119.74 123.01 2ky9 s LYS 79 Ca 0.07 1.68 0.00 0.00 -0.36 0.00 0.00 55.97 57.36 2ky9 s LYS 79 Cb -0.01 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 2ky9 s LYS 79 CO -0.05 -0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.32 2ky9 n GLY 80 N 2.48 2.48 0.26 5.54 0.00 -1.26 -4.84 105.19 109.85 2ky9 n GLY 80 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 0.22 0.76 -6.28 1.61 1.85 -1.91 -1.60 114.93 109.58 2ky9 h MET 81 Ca 0.00 -0.33 -0.55 0.00 -0.61 0.00 0.00 59.70 58.21 2ky9 h MET 81 Cb 0.00 -0.02 -0.00 0.00 0.43 0.00 0.00 31.60 32.01 2ky9 h MET 81 CO 0.00 0.95 1.14 0.21 -0.40 0.00 0.00 176.91 178.81 2ky9 s LYS 82 N -4.51 4.10 0.00 0.39 2.47 -1.26 -2.21 119.74 118.72 2ky9 s LYS 82 Ca -0.09 2.24 0.00 0.00 -1.56 0.00 0.00 55.97 56.56 2ky9 s LYS 82 Cb 0.13 -4.05 0.00 0.00 -1.46 0.00 0.00 37.83 32.45 2ky9 s LYS 82 CO 0.84 -0.95 0.00 0.41 0.16 0.00 0.00 175.35 175.81 2ky9 n GLY 83 N 4.33 0.75 3.79 5.54 0.00 -1.11 -4.89 105.19 113.60 2ky9 n GLY 83 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 2ky9 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ky9 s ALA 84 N -2.72 3.25 -0.46 4.61 0.00 -0.94 -4.89 121.76 120.61 2ky9 s ALA 84 Ca 0.00 0.45 -0.28 0.00 0.00 0.00 0.00 51.96 52.13 2ky9 s ALA 84 Cb 0.00 -3.11 0.03 0.00 0.00 0.00 0.00 23.12 20.04 2ky9 s ALA 84 CO 0.00 0.21 1.10 0.99 0.00 0.00 0.00 175.76 178.05 2ky9 s THR 85 N -1.59 4.28 0.24 0.00 2.01 -1.26 -3.25 115.64 116.06 2ky9 s THR 85 Ca 0.49 1.20 0.05 0.00 0.31 0.00 0.00 61.69 63.73 2ky9 s THR 85 Cb -0.18 -4.56 -0.03 0.00 0.01 0.00 0.00 72.50 67.73 2ky9 s THR 85 CO 0.23 -0.93 0.32 0.00 -0.69 0.00 0.00 174.62 173.55 2ky9 s ALA 86 N 4.27 3.86 -0.03 7.40 0.00 0.14 -3.99 121.76 133.41 2ky9 s ALA 86 Ca 0.46 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2ky9 s ALA 86 Cb -0.08 -1.64 0.03 0.00 0.00 0.00 0.00 23.12 21.42 2ky9 s ALA 86 CO 0.29 0.26 -0.01 -2.00 0.00 0.00 0.00 175.76 174.30 2ky9 s GLU 87 N -3.91 0.43 -0.51 0.00 -6.30 -0.27 -0.93 118.70 107.20 2ky9 s GLU 87 Ca 0.34 0.04 -0.26 0.00 -2.50 0.00 0.00 54.97 52.58 2ky9 s GLU 87 Cb -0.09 -0.58 -0.05 0.00 0.00 0.00 0.00 34.13 33.41 2ky9 s GLU 87 CO 0.28 -0.13 2.22 0.42 0.02 0.00 0.00 175.26 178.08 2ky9 s ILE 88 N 1.02 3.12 0.12 -3.70 -1.09 -0.75 -1.75 121.20 118.17 2ky9 s ILE 88 Ca -0.10 0.07 -0.12 0.00 -2.23 0.00 0.00 60.65 58.27 2ky9 s ILE 88 Cb -0.14 -3.31 -0.09 0.00 -1.58 0.00 0.00 42.46 37.34 2ky9 s ILE 88 CO -0.01 -0.30 1.40 -0.78 -1.23 0.00 0.00 174.94 174.02 2ky9 h ASP 89 N 17.90 0.94 -5.01 3.58 3.58 -1.14 -3.28 116.42 132.99 2ky9 h ASP 89 Ca -0.25 -0.53 -0.09 0.00 0.42 0.00 0.00 57.03 56.58 2ky9 h ASP 89 Cb 1.23 -0.27 -0.19 0.00 1.72 0.00 0.00 39.33 41.83 2ky9 h ASP 89 CO 1.17 1.29 -0.08 -0.44 -2.88 0.00 0.00 179.24 178.30 2ky9 s SER 90 N -6.88 -0.37 -0.13 2.28 0.01 -0.81 -4.82 113.70 102.98 2ky9 s SER 90 Ca -0.11 0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.41 2ky9 s SER 90 Cb 0.10 0.42 -0.01 0.00 0.21 0.00 0.00 66.02 66.73 2ky9 s SER 90 CO 0.88 -0.56 -0.15 0.00 0.41 0.00 0.00 173.24 173.82 2ky9 s ALA 91 N -1.63 2.55 0.02 1.44 0.00 -1.26 -1.69 121.76 121.19 2ky9 s ALA 91 Ca -0.10 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 2ky9 s ALA 91 Cb -0.02 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 2ky9 s ALA 91 CO 0.04 0.25 -0.01 -2.00 0.00 0.00 0.00 175.76 174.04 2ky9 s GLU 92 N 0.36 0.39 -0.40 0.00 2.56 -1.14 -5.01 118.70 115.46 2ky9 s GLU 92 Ca -0.12 -0.70 0.03 0.00 0.00 0.00 0.00 54.97 54.18 2ky9 s GLU 92 Cb -0.16 0.14 0.12 0.00 2.00 0.00 0.00 34.13 36.22 2ky9 s GLU 92 CO 0.06 -0.07 0.15 -1.59 -0.56 0.00 0.00 175.26 173.25 2ky9 s LYS 93 N -1.90 1.39 0.06 4.30 0.00 -1.26 -0.35 119.74 121.97 2ky9 s LYS 93 Ca -0.12 -1.91 0.03 0.00 0.00 0.00 0.00 55.97 53.97 2ky9 s LYS 93 Cb -0.07 -2.77 -0.03 0.00 0.00 0.00 0.00 37.83 34.97 2ky9 s LYS 93 CO -0.02 -1.04 -0.09 -0.08 0.00 0.00 0.00 175.35 174.12 2ky9 s THR 94 N 0.64 0.68 -0.13 3.79 -1.32 -1.13 -4.92 115.64 113.26 2ky9 s THR 94 Ca 0.14 -1.28 -0.29 0.00 -1.21 0.00 0.00 61.69 59.04 2ky9 s THR 94 Cb -0.22 -0.90 -0.01 0.00 -1.51 0.00 0.00 72.50 69.87 2ky9 s THR 94 CO -0.08 -0.44 1.09 -0.89 -2.21 0.00 0.00 174.62 172.09 2ky9 s THR 95 N -1.77 4.58 -0.03 5.08 2.01 -1.26 -4.07 115.64 120.18 2ky9 s THR 95 Ca -0.04 1.88 0.07 0.00 0.31 0.00 0.00 61.69 63.90 2ky9 s THR 95 Cb -0.07 -4.21 -0.02 0.00 0.01 0.00 0.00 72.50 68.21 2ky9 s THR 95 CO -0.00 -0.05 -0.23 0.68 -0.69 0.00 0.00 174.62 174.33 2ky9 s VAL 96 N 2.46 2.34 0.06 3.82 -7.23 0.01 -3.06 120.40 118.80 2ky9 s VAL 96 Ca 0.50 -1.00 0.09 0.00 -1.81 0.00 0.00 61.98 59.75 2ky9 s VAL 96 Cb -0.19 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 34.87 2ky9 s VAL 96 CO 0.16 0.58 -0.23 -0.31 -0.31 0.00 0.00 175.10 174.99 2ky9 s TYR 97 N -0.65 2.04 -0.23 2.82 2.02 0.33 -1.60 117.35 122.08 2ky9 s TYR 97 Ca 0.10 -0.39 -0.20 0.00 -0.37 0.00 0.00 57.07 56.21 2ky9 s TYR 97 Cb -0.10 -1.20 -0.02 0.00 -0.40 0.00 0.00 41.96 40.24 2ky9 s TYR 97 CO -0.01 0.15 0.61 1.41 -1.57 0.00 0.00 175.55 176.14 2ky9 s MET 98 N -1.38 4.14 0.18 -0.62 -2.45 -0.44 -2.74 119.30 115.98 2ky9 s MET 98 Ca 0.10 0.54 0.11 0.00 -1.25 0.00 0.00 55.69 55.18 2ky9 s MET 98 Cb -0.09 -3.62 -0.04 0.00 1.25 0.00 0.00 34.83 32.32 2ky9 s MET 98 CO 0.03 -0.33 -0.23 0.14 1.05 0.00 0.00 175.02 175.67 2ky9 s VAL 99 N 2.24 2.24 -0.17 10.11 -7.23 -0.98 -0.90 120.40 125.71 2ky9 s VAL 99 Ca 0.26 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.47 2ky9 s VAL 99 Cb -0.16 -2.05 0.01 0.00 0.56 0.00 0.00 36.38 34.75 2ky9 s VAL 99 CO 0.09 -0.12 -0.17 -0.62 -0.31 0.00 0.00 175.10 173.97 2ky9 s ASP 100 N -2.58 3.40 0.34 4.85 -1.08 -0.62 -1.65 116.67 119.33 2ky9 s ASP 100 Ca 0.19 -0.56 -0.04 0.00 -0.52 0.00 0.00 52.55 51.62 2ky9 s ASP 100 Cb -0.08 -1.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.86 2ky9 s ASP 100 CO 0.09 0.04 0.48 -0.72 0.52 0.00 0.00 175.17 175.58 2ky9 s TYR 101 N 1.09 0.99 -0.09 -5.34 1.13 -0.72 -1.13 117.35 113.28 2ky9 s TYR 101 Ca -0.00 -1.24 0.03 0.00 -1.41 0.00 0.00 57.07 54.44 2ky9 s TYR 101 Cb -0.14 -0.04 0.01 0.00 -1.10 0.00 0.00 41.96 40.69 2ky9 s TYR 101 CO -0.06 -1.14 -0.16 0.99 -2.51 0.00 0.00 175.55 172.66 2ky9 s THR 102 N -3.09 1.49 0.02 -3.49 2.01 -1.26 -0.67 115.64 110.64 2ky9 s THR 102 Ca 0.29 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 2ky9 s THR 102 Cb -0.01 -1.33 -0.08 0.00 0.01 0.00 0.00 72.50 71.09 2ky9 s THR 102 CO 0.19 0.43 1.85 -0.55 -0.69 0.00 0.00 174.62 175.85 2ky9 s SER 103 N 0.65 6.52 0.23 3.53 0.15 -0.29 -4.55 113.70 119.94 2ky9 s SER 103 Ca -0.14 2.54 -0.08 0.00 0.70 0.00 0.00 55.95 58.97 2ky9 s SER 103 Cb -0.16 -2.54 0.21 0.00 -1.71 0.00 0.00 66.02 61.82 2ky9 s SER 103 CO 0.04 -1.00 1.90 0.71 1.20 0.00 0.00 173.24 176.09 2ky9 h THR 104 N 5.50 1.23 0.19 6.45 1.35 -1.30 -0.07 112.91 126.25 2ky9 h THR 104 Ca -0.46 -0.43 -0.01 0.00 -0.55 0.00 0.00 66.41 64.96 2ky9 h THR 104 Cb 1.22 -0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 2ky9 h THR 104 CO 0.94 0.23 -0.09 0.71 -0.25 0.00 0.00 175.52 177.06 2ky9 h THR 105 N 1.21 0.40 -0.30 6.82 1.35 -1.92 -3.38 112.91 117.09 2ky9 h THR 105 Ca 0.32 -1.01 -0.18 0.00 -0.55 0.00 0.00 66.41 64.99 2ky9 h THR 105 Cb -0.13 0.71 -0.00 0.00 -1.73 0.00 0.00 68.15 67.00 2ky9 h THR 105 CO -0.07 0.12 -0.50 0.28 -0.25 0.00 0.00 175.52 175.09 2ky9 h SER 106 N -1.01 0.96 0.00 5.36 0.02 -1.90 -3.47 113.55 113.51 2ky9 h SER 106 Ca -0.03 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 2ky9 h SER 106 Cb 0.38 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2ky9 h SER 106 CO 0.04 1.30 0.00 0.61 -1.14 0.00 0.00 176.83 177.64 2ky9 n GLY 107 N 0.33 0.79 3.71 -3.77 0.00 -0.04 -5.05 105.19 101.16 2ky9 n GLY 107 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.40 4.45 -0.74 1.61 2.12 -1.25 -4.78 118.70 119.70 2ky9 s GLU 108 Ca 0.00 1.71 -0.25 0.00 0.36 0.00 0.00 54.97 56.79 2ky9 s GLU 108 Cb 0.00 -3.37 0.05 0.00 0.26 0.00 0.00 34.13 31.07 2ky9 s GLU 108 CO 0.00 -0.23 1.20 0.15 -0.54 0.00 0.00 175.26 175.84 2ky9 s LYS 109 N 1.08 3.21 -0.29 4.30 3.01 -1.26 -1.14 119.74 128.65 2ky9 s LYS 109 Ca 0.58 -0.52 -0.22 0.00 -1.01 0.00 0.00 55.97 54.80 2ky9 s LYS 109 Cb -0.28 -4.31 -0.01 0.00 -1.01 0.00 0.00 37.83 32.23 2ky9 s LYS 109 CO 0.29 -2.05 0.70 0.08 0.51 0.00 0.00 175.35 174.88 2ky9 s VAL 110 N 5.13 4.89 0.06 3.17 1.01 0.15 -4.98 120.40 129.82 2ky9 s VAL 110 Ca 0.32 1.11 0.03 0.00 0.00 0.00 0.00 61.98 63.44 2ky9 s VAL 110 Cb -0.10 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 2ky9 s VAL 110 CO 0.11 -0.13 0.01 -1.59 0.00 0.00 0.00 175.10 173.51 2ky9 s LYS 111 N 2.72 2.68 -1.55 2.72 -2.85 -1.26 -1.76 119.74 120.44 2ky9 s LYS 111 Ca 0.29 -0.73 -0.04 0.00 -1.00 0.00 0.00 55.97 54.48 2ky9 s LYS 111 Cb -0.15 -2.62 0.01 0.00 -2.06 0.00 0.00 37.83 33.02 2ky9 s LYS 111 CO 0.11 0.57 0.48 0.09 0.10 0.00 0.00 175.35 176.70 2ky9 n ASN 112 N 0.85 -5.78 -4.69 0.03 4.13 -1.22 -4.93 115.26 103.65 2ky9 n ASN 112 Ca -0.12 -0.24 -0.42 0.00 1.68 0.00 0.00 54.58 55.48 2ky9 n ASN 112 Cb 0.52 -4.70 -0.03 0.00 -1.54 0.00 0.00 39.78 34.03 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 -3.11 2.51 -0.03 3.10 2.46 -0.66 -4.82 115.29 114.74 2ky9 s HIS 113 Ca 0.26 0.39 0.02 0.00 0.47 0.00 0.00 55.06 56.20 2ky9 s HIS 113 Cb -0.12 -3.93 0.00 0.00 -0.13 0.00 0.00 32.58 28.41 2ky9 s HIS 113 CO 0.32 -3.69 -0.09 0.15 -2.47 0.00 0.00 174.74 168.96 2ky9 s LYS 114 N 2.51 0.94 0.28 2.88 1.02 -1.26 -2.31 119.74 123.81 2ky9 s LYS 114 Ca 0.73 -0.29 0.11 0.00 0.02 0.00 0.00 55.97 56.53 2ky9 s LYS 114 Cb -0.39 -0.88 -0.05 0.00 -0.52 0.00 0.00 37.83 35.99 2ky9 s LYS 114 CO 0.32 0.11 -0.09 -1.58 -0.92 0.00 0.00 175.35 173.19 2ky9 s TRP 115 N 0.20 2.50 -0.01 3.18 0.52 -1.26 -4.91 118.94 119.17 2ky9 s TRP 115 Ca -0.03 -0.30 0.02 0.00 0.02 0.00 0.00 56.10 55.81 2ky9 s TRP 115 Cb -0.08 -1.15 -0.00 0.00 -1.15 0.00 0.00 33.47 31.08 2ky9 s TRP 115 CO 0.00 0.64 -0.06 0.14 0.02 0.00 0.00 176.95 177.70 2ky9 s VAL 116 N -2.43 0.48 0.39 4.03 -7.23 -1.11 -4.47 120.40 110.05 2ky9 s VAL 116 Ca 0.31 -0.25 -0.02 0.00 -1.81 0.00 0.00 61.98 60.21 2ky9 s VAL 116 Cb -0.05 -0.41 -0.04 0.00 0.56 0.00 0.00 36.38 36.45 2ky9 s VAL 116 CO 0.18 0.14 0.63 0.42 -0.31 0.00 0.00 175.10 176.15 2ky9 s THR 117 N -0.11 5.03 0.40 5.32 -4.23 -1.26 -0.52 115.64 120.27 2ky9 s THR 117 Ca 0.02 -0.18 0.23 0.00 -1.18 0.00 0.00 61.69 60.58 2ky9 s THR 117 Cb -0.03 -3.85 0.24 0.00 1.34 0.00 0.00 72.50 70.21 2ky9 s THR 117 CO -0.00 -0.63 2.01 -0.08 -0.54 0.00 0.00 174.62 175.38 2ky9 h GLU 118 N 0.68 0.00 -0.33 3.99 4.81 -1.89 -2.59 114.58 119.25 2ky9 h GLU 118 Ca -0.49 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.70 2ky9 h GLU 118 Cb 1.21 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 2ky9 h GLU 118 CO 0.62 0.17 -0.00 -0.44 -0.73 0.00 0.00 179.01 178.63 2ky9 h ASP 119 N 0.00 0.47 0.04 1.04 3.32 -1.94 -2.92 116.42 116.42 2ky9 h ASP 119 Ca -0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2ky9 h ASP 119 Cb 0.40 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2ky9 h ASP 119 CO 0.02 0.55 -0.20 -1.84 -1.72 0.00 0.00 179.24 176.05 2ky9 n GLU 120 N -4.28 1.53 -4.00 3.56 0.28 -1.00 -4.91 120.64 111.82 2ky9 n GLU 120 Ca 0.01 -1.13 -0.23 0.00 -0.16 0.00 0.00 57.16 55.65 2ky9 n GLU 120 Cb 0.24 -1.48 -0.06 0.00 1.43 0.00 0.00 31.44 31.57 2ky9 n GLU 120 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2ky9 s LEU 121 N -2.25 3.21 -0.08 -1.84 1.43 -1.07 -1.58 118.68 116.51 2ky9 s LEU 121 Ca 0.27 -0.93 -0.03 0.00 -1.03 0.00 0.00 54.13 52.41 2ky9 s LEU 121 Cb 0.19 -1.65 0.04 0.00 0.03 0.00 0.00 46.19 44.81 2ky9 s LEU 121 CO 0.44 -0.50 0.16 -0.44 0.23 0.00 0.00 176.35 176.23 2ky9 s SER 122 N -3.94 0.47 0.46 2.29 0.01 -0.26 -4.78 113.70 107.95 2ky9 s SER 122 Ca 0.42 0.33 -0.24 0.00 1.31 0.00 0.00 55.95 57.76 2ky9 s SER 122 Cb 0.01 0.25 -0.07 0.00 0.21 0.00 0.00 66.02 66.42 2ky9 s SER 122 CO 0.24 -0.21 1.33 0.00 0.41 0.00 0.00 173.24 175.00 2ky9 s ALA 123 N 1.94 3.09 -1.18 1.44 0.00 -1.26 -0.59 121.76 125.19 2ky9 s ALA 123 Ca -0.01 1.27 -0.20 0.00 0.00 0.00 0.00 51.96 53.02 2ky9 s ALA 123 Cb -0.12 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 2ky9 s ALA 123 CO -0.06 -1.04 1.92 1.17 0.00 0.00 0.00 175.76 177.75 2ky9 n LYS 124 N -0.37 2.28 0.00 0.00 3.00 -1.14 -4.14 118.16 117.79 2ky9 n LYS 124 Ca 0.06 -2.62 0.00 0.00 -0.00 0.00 0.00 58.31 55.75 2ky9 n LYS 124 Cb 0.44 -3.43 0.00 0.00 0.00 0.00 0.00 35.03 32.04 2ky9 n LYS 124 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2ky9 n LEU 125 N 9.83 2.70 -4.06 3.14 4.77 -1.26 -5.08 117.00 127.05 2ky9 n LEU 125 Ca 0.48 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.38 2ky9 n LEU 125 Cb 0.44 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.43 2ky9 n LEU 125 CO 0.81 0.45 -0.36 -0.70 -1.33 0.00 0.00 177.39 176.26 2ky9 s GLU 126 N -1.94 0.52 -0.33 3.23 2.12 -1.26 -5.15 118.70 115.88 2ky9 s GLU 126 Ca 0.00 -1.02 0.06 0.00 0.36 0.00 0.00 54.97 54.37 2ky9 s GLU 126 Cb 0.00 0.16 0.19 0.00 0.26 0.00 0.00 34.13 34.74 2ky9 s GLU 126 CO 0.00 -0.09 0.59 -1.58 -0.54 0.00 0.00 175.26 173.64 2ky9 s HIS 127 N -3.09 -1.75 -0.01 5.30 2.46 -1.26 -4.99 115.29 111.95 2ky9 s HIS 127 Ca -0.01 0.72 -0.19 0.00 0.47 0.00 0.00 55.06 56.05 2ky9 s HIS 127 Cb 0.02 0.28 -0.05 0.00 -0.13 0.00 0.00 32.58 32.70 2ky9 s HIS 127 CO -0.07 -1.11 0.55 -1.01 -2.47 0.00 0.00 174.74 170.63 2ky9 s HIS 128 N 2.45 3.67 0.25 3.88 3.76 -1.26 -4.99 115.29 123.05 2ky9 s HIS 128 Ca 0.12 1.14 0.05 0.00 -0.15 0.00 0.00 55.06 56.22 2ky9 s HIS 128 Cb -0.08 -2.56 0.28 0.00 1.11 0.00 0.00 32.58 31.34 2ky9 s HIS 128 CO -0.19 0.38 1.58 1.25 -0.85 0.00 0.00 174.74 176.91 2ky9 h HIS 129 N 5.61 0.29 -3.07 1.40 2.76 -2.09 -3.39 115.15 116.67 2ky9 h HIS 129 Ca -0.46 -0.11 -0.69 0.00 -2.20 0.00 0.00 60.37 56.91 2ky9 h HIS 129 Cb 1.20 -0.05 -0.19 0.00 1.55 0.00 0.00 27.41 29.92 2ky9 h HIS 129 CO 0.66 0.75 0.08 -1.01 -1.30 0.00 0.00 177.93 177.11 2ky9 s HIS 130 N -3.81 3.02 0.45 5.26 3.76 -1.26 -5.07 115.29 117.64 2ky9 s HIS 130 Ca -0.04 -0.76 -0.11 0.00 -0.15 0.00 0.00 55.06 54.00 2ky9 s HIS 130 Cb 0.12 -3.77 -0.06 0.00 1.11 0.00 0.00 32.58 29.98 2ky9 s HIS 130 CO 0.79 -1.16 0.84 -1.01 -0.85 0.00 0.00 174.74 173.34 2ky9 s HIS 131 N 2.65 3.49 -2.00 1.40 0.09 -1.26 -5.19 115.29 114.47 2ky9 s HIS 131 Ca 0.13 1.13 0.09 0.00 -0.00 0.00 0.00 55.06 56.42 2ky9 s HIS 131 Cb -0.22 -2.53 0.56 0.00 -0.00 0.00 0.00 32.58 30.39 2ky9 s HIS 131 CO 0.09 -0.22 1.00 0.72 -0.00 0.00 0.00 174.74 176.33