#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 2.55 0.06 0.03 2.20 -1.26 -4.90 119.74 118.43 2ky9 s LYS 2 Ca 0.00 -1.39 -0.30 0.00 -0.36 0.00 0.00 55.97 53.91 2ky9 s LYS 2 Cb 0.00 -2.33 -0.09 0.00 -1.51 0.00 0.00 37.83 33.91 2ky9 s LYS 2 CO 0.00 0.16 1.81 0.08 -0.36 0.00 0.00 175.35 177.03 2ky9 s VAL 3 N -2.34 2.92 0.00 4.02 1.01 -1.26 -1.96 120.40 122.78 2ky9 s VAL 3 Ca 0.38 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.58 2ky9 s VAL 3 Cb -0.05 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2ky9 s VAL 3 CO 0.24 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.94 2ky9 n GLY 4 N 4.25 0.40 3.79 4.51 0.00 -0.27 -5.03 105.19 112.85 2ky9 n GLY 4 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.35 7.27 -0.11 1.61 0.01 -0.83 -4.85 113.70 114.45 2ky9 s SER 5 Ca 0.00 1.63 -0.02 0.00 1.31 0.00 0.00 55.95 58.87 2ky9 s SER 5 Cb 0.00 -2.50 -0.03 0.00 0.21 0.00 0.00 66.02 63.70 2ky9 s SER 5 CO 0.00 0.07 -0.04 -1.10 0.41 0.00 0.00 173.24 172.58 2ky9 s GLN 6 N -1.70 3.19 0.04 12.44 -0.21 -1.26 -1.21 119.66 130.95 2ky9 s GLN 6 Ca 0.43 -0.51 -0.00 0.00 0.02 0.00 0.00 55.36 55.29 2ky9 s GLN 6 Cb -0.20 -2.77 -0.03 0.00 1.00 0.00 0.00 33.01 31.01 2ky9 s GLN 6 CO 0.24 0.49 -0.03 0.14 -2.12 0.00 0.00 175.29 174.01 2ky9 s VAL 7 N -0.33 0.19 -0.16 1.09 -7.23 -0.28 -3.43 120.40 110.25 2ky9 s VAL 7 Ca 0.05 -1.39 -0.11 0.00 -1.81 0.00 0.00 61.98 58.72 2ky9 s VAL 7 Cb -0.12 -0.94 -0.05 0.00 0.56 0.00 0.00 36.38 35.83 2ky9 s VAL 7 CO 0.02 -0.76 0.19 -0.63 -0.31 0.00 0.00 175.10 173.62 2ky9 s ILE 8 N -2.75 5.38 -0.16 -0.62 -1.09 0.88 -0.39 121.20 122.45 2ky9 s ILE 8 Ca -0.04 0.33 -0.28 0.00 -2.23 0.00 0.00 60.65 58.44 2ky9 s ILE 8 Cb -0.01 -3.51 -0.01 0.00 -1.58 0.00 0.00 42.46 37.35 2ky9 s ILE 8 CO -0.06 0.47 0.95 -0.63 -1.23 0.00 0.00 174.94 174.44 2ky9 s ILE 9 N 0.04 4.79 -0.16 2.92 1.01 -0.74 -1.02 121.20 128.05 2ky9 s ILE 9 Ca 0.13 1.88 -0.14 0.00 0.00 0.00 0.00 60.65 62.52 2ky9 s ILE 9 Cb -0.12 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.06 2ky9 s ILE 9 CO 0.02 -0.03 -0.26 -3.20 0.00 0.00 0.00 174.94 171.46 2ky9 n ASN 10 N 5.43 1.86 -4.87 3.58 5.15 -0.96 -1.28 115.26 124.16 2ky9 n ASN 10 Ca 0.08 0.48 -0.37 0.00 -0.60 0.00 0.00 54.58 54.17 2ky9 n ASN 10 Cb 0.48 -0.80 -0.06 0.00 -0.53 0.00 0.00 39.78 38.87 2ky9 n ASN 10 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2ky9 s THR 11 N -2.57 5.38 -0.00 -0.44 2.01 -0.68 -4.71 115.64 114.63 2ky9 s THR 11 Ca -0.22 0.37 -0.00 0.00 0.31 0.00 0.00 61.69 62.15 2ky9 s THR 11 Cb 0.03 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 69.06 2ky9 s THR 11 CO 0.32 0.61 0.01 -0.44 -0.69 0.00 0.00 174.62 174.43 2ky9 s SER 12 N -1.05 -0.01 0.10 3.53 0.01 -0.99 -4.67 113.70 110.63 2ky9 s SER 12 Ca 0.17 0.01 0.23 0.00 1.31 0.00 0.00 55.95 57.68 2ky9 s SER 12 Cb -0.13 0.01 0.14 0.00 0.21 0.00 0.00 66.02 66.25 2ky9 s SER 12 CO 0.07 -0.00 1.12 1.41 0.41 0.00 0.00 173.24 176.25 2ky9 n HIS 13 N 3.09 0.50 -4.30 2.43 8.25 -1.26 -4.92 115.22 119.01 2ky9 n HIS 13 Ca -0.12 0.15 -0.20 0.00 -0.26 0.00 0.00 57.72 57.28 2ky9 n HIS 13 Cb 0.60 -0.62 -0.11 0.00 1.12 0.00 0.00 29.99 30.97 2ky9 n HIS 13 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2ky9 s MET 14 N -3.23 1.20 0.24 -0.41 -1.94 -1.26 -5.07 119.30 108.82 2ky9 s MET 14 Ca 0.03 -1.37 -0.03 0.00 -1.71 0.00 0.00 55.69 52.62 2ky9 s MET 14 Cb 0.13 -1.18 0.26 0.00 2.01 0.00 0.00 34.83 36.06 2ky9 s MET 14 CO 0.77 0.23 1.68 1.57 -0.01 0.00 0.00 175.02 179.26 2ky9 h LYS 15 N 3.28 0.73 0.00 2.03 2.10 -2.00 -2.94 116.57 119.77 2ky9 h LYS 15 Ca -0.41 -0.26 0.00 0.00 -2.00 0.00 0.00 60.65 57.97 2ky9 h LYS 15 Cb 1.20 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 2ky9 h LYS 15 CO 0.52 0.86 0.00 0.41 -2.00 0.00 0.00 179.45 179.23 2ky9 n GLY 16 N -0.36 -1.42 0.08 0.07 0.00 -1.26 -3.92 105.19 98.38 2ky9 n GLY 16 Ca 0.01 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 2ky9 n GLY 16 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ky9 h MET 17 N 0.00 0.11 -6.31 1.61 -1.53 -1.88 0.61 114.93 107.54 2ky9 h MET 17 Ca 0.00 -0.19 -0.55 0.00 -3.44 0.00 0.00 59.70 55.52 2ky9 h MET 17 Cb 0.46 0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.57 2ky9 h MET 17 CO 0.00 1.06 0.97 0.21 0.14 0.00 0.00 176.91 179.30 2ky9 s LYS 18 N -2.68 4.22 0.00 0.39 2.20 -1.25 -2.64 119.74 119.98 2ky9 s LYS 18 Ca -0.02 2.07 0.00 0.00 -0.36 0.00 0.00 55.97 57.67 2ky9 s LYS 18 Cb 0.09 -3.77 0.00 0.00 -1.51 0.00 0.00 37.83 32.63 2ky9 s LYS 18 CO 0.85 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 175.52 2ky9 n GLY 19 N 3.89 1.57 3.79 5.54 0.00 -0.41 -4.84 105.19 114.73 2ky9 n GLY 19 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.66 2.83 -0.62 4.61 0.00 -1.08 -4.66 121.76 120.18 2ky9 s ALA 20 Ca 0.00 0.69 -0.23 0.00 0.00 0.00 0.00 51.96 52.42 2ky9 s ALA 20 Cb 0.00 -3.29 0.06 0.00 0.00 0.00 0.00 23.12 19.89 2ky9 s ALA 20 CO 0.00 -0.46 0.94 -2.00 0.00 0.00 0.00 175.76 174.24 2ky9 s GLU 21 N -3.19 3.17 0.44 0.00 2.12 -1.26 -1.79 118.70 118.19 2ky9 s GLU 21 Ca 0.68 -0.68 -0.08 0.00 0.36 0.00 0.00 54.97 55.25 2ky9 s GLU 21 Cb -0.19 -4.17 -0.05 0.00 0.26 0.00 0.00 34.13 29.97 2ky9 s GLU 21 CO 0.23 -1.69 0.78 0.00 -0.54 0.00 0.00 175.26 174.04 2ky9 s ALA 22 N 3.95 3.37 -0.07 6.30 0.00 0.48 -4.31 121.76 131.49 2ky9 s ALA 22 Ca 0.24 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.89 2ky9 s ALA 22 Cb -0.16 -2.66 0.02 0.00 0.00 0.00 0.00 23.12 20.32 2ky9 s ALA 22 CO 0.13 -0.16 -0.08 0.99 0.00 0.00 0.00 175.76 176.64 2ky9 s THR 23 N -2.53 0.86 -0.28 0.00 2.01 0.27 -1.12 115.64 114.85 2ky9 s THR 23 Ca 0.50 -0.28 -0.29 0.00 0.31 0.00 0.00 61.69 61.92 2ky9 s THR 23 Cb -0.10 -0.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 2ky9 s THR 23 CO 0.37 0.31 1.52 -0.69 -0.69 0.00 0.00 174.62 175.44 2ky9 s VAL 24 N 1.01 3.83 -0.22 3.82 1.01 -0.35 -0.87 120.40 128.64 2ky9 s VAL 24 Ca -0.09 0.91 0.21 0.00 0.00 0.00 0.00 61.98 63.02 2ky9 s VAL 24 Cb -0.15 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 2ky9 s VAL 24 CO -0.00 -0.42 1.01 0.71 0.00 0.00 0.00 175.10 176.40 2ky9 h THR 25 N 6.20 0.09 -2.13 3.92 1.35 -1.08 -0.70 112.91 120.56 2ky9 h THR 25 Ca -0.31 -1.18 -0.06 0.00 -0.55 0.00 0.00 66.41 64.32 2ky9 h THR 25 Cb 1.13 1.60 -0.21 0.00 -1.73 0.00 0.00 68.15 68.95 2ky9 h THR 25 CO 1.02 0.05 0.09 -0.83 -0.25 0.00 0.00 175.52 175.60 2ky9 s GLY 26 N -4.44 -0.51 -0.24 5.82 0.00 -0.43 -4.92 107.32 102.60 2ky9 s GLY 26 Ca -0.01 1.71 -0.00 0.00 0.00 0.00 0.00 44.72 46.42 2ky9 s GLY 26 CO 0.79 1.43 0.01 0.00 0.00 0.00 0.00 173.10 175.32 2ky9 s ALA 27 N -0.05 1.67 -0.12 3.20 0.00 -1.26 -1.35 121.76 123.85 2ky9 s ALA 27 Ca -0.03 -1.30 -0.01 0.00 0.00 0.00 0.00 51.96 50.62 2ky9 s ALA 27 Cb -0.04 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 2ky9 s ALA 27 CO 0.03 -1.31 -0.09 0.71 0.00 0.00 0.00 175.76 175.11 2ky9 s TYR 28 N 1.54 2.90 -0.92 0.00 1.51 -0.45 -5.01 117.35 116.92 2ky9 s TYR 28 Ca -0.01 -0.34 -0.06 0.00 -1.01 0.00 0.00 57.07 55.66 2ky9 s TYR 28 Cb -0.18 -1.84 0.23 0.00 -0.11 0.00 0.00 41.96 40.06 2ky9 s TYR 28 CO -0.10 -0.00 0.84 0.16 -1.11 0.00 0.00 175.55 175.33 2ky9 s ASP 29 N 0.02 6.39 0.37 2.29 -4.77 -1.26 -0.70 116.67 119.01 2ky9 s ASP 29 Ca -0.02 -3.46 0.06 0.00 -3.30 0.00 0.00 52.55 45.83 2ky9 s ASP 29 Cb -0.14 -2.03 -0.02 0.00 -1.09 0.00 0.00 42.92 39.64 2ky9 s ASP 29 CO 0.03 -0.28 0.21 1.07 0.70 0.00 0.00 175.17 176.90 2ky9 n THR 30 N 2.77 0.00 -2.90 2.11 5.66 -1.24 -5.02 114.28 115.67 2ky9 n THR 30 Ca 0.20 -2.38 -0.41 0.00 -3.05 0.00 0.00 64.05 58.41 2ky9 n THR 30 Cb 0.39 1.01 -0.04 0.00 -1.55 0.00 0.00 70.33 70.14 2ky9 n THR 30 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2ky9 s THR 31 N -3.20 4.95 -0.05 1.09 2.01 -1.26 -3.12 115.64 116.06 2ky9 s THR 31 Ca 0.29 1.69 0.03 0.00 0.31 0.00 0.00 61.69 64.01 2ky9 s THR 31 Cb 0.01 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.34 2ky9 s THR 31 CO 0.21 0.16 -0.12 0.00 -0.69 0.00 0.00 174.62 174.18 2ky9 s ALA 32 N 1.24 2.76 0.15 7.40 0.00 0.05 -1.32 121.76 132.03 2ky9 s ALA 32 Ca 0.42 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.50 2ky9 s ALA 32 Cb -0.18 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 2ky9 s ALA 32 CO 0.20 0.56 -0.10 0.71 0.00 0.00 0.00 175.76 177.13 2ky9 s TYR 33 N -0.76 2.68 -0.39 0.00 2.02 -0.27 -1.73 117.35 118.90 2ky9 s TYR 33 Ca 0.12 -0.19 -0.14 0.00 -0.37 0.00 0.00 57.07 56.48 2ky9 s TYR 33 Cb -0.11 -1.35 0.01 0.00 -0.40 0.00 0.00 41.96 40.11 2ky9 s TYR 33 CO 0.01 0.47 0.27 0.08 -1.57 0.00 0.00 175.55 174.82 2ky9 s VAL 34 N -1.49 5.18 0.12 0.71 1.01 -0.81 -3.55 120.40 121.57 2ky9 s VAL 34 Ca 0.23 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.71 2ky9 s VAL 34 Cb -0.10 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 2ky9 s VAL 34 CO 0.15 -0.22 -0.08 0.68 0.00 0.00 0.00 175.10 175.62 2ky9 s VAL 35 N 1.68 3.46 -0.12 2.92 -7.23 -1.23 -0.65 120.40 119.22 2ky9 s VAL 35 Ca 0.05 -1.29 0.02 0.00 -1.81 0.00 0.00 61.98 58.95 2ky9 s VAL 35 Cb -0.19 -2.64 0.01 0.00 0.56 0.00 0.00 36.38 34.12 2ky9 s VAL 35 CO 0.10 0.07 -0.20 -0.94 -0.31 0.00 0.00 175.10 173.82 2ky9 s SER 36 N -2.36 2.85 0.10 4.85 1.04 -0.40 -1.05 113.70 118.75 2ky9 s SER 36 Ca 0.23 -0.53 -0.15 0.00 0.48 0.00 0.00 55.95 55.97 2ky9 s SER 36 Cb -0.11 -1.31 0.03 0.00 0.10 0.00 0.00 66.02 64.73 2ky9 s SER 36 CO 0.15 0.06 0.36 -0.72 0.98 0.00 0.00 173.24 174.07 2ky9 s TYR 37 N 0.84 -0.15 -0.29 5.02 1.13 -0.49 -1.01 117.35 122.40 2ky9 s TYR 37 Ca -0.08 -0.14 -0.08 0.00 -1.41 0.00 0.00 57.07 55.35 2ky9 s TYR 37 Cb -0.15 0.19 -0.01 0.00 -1.10 0.00 0.00 41.96 40.89 2ky9 s TYR 37 CO -0.01 -0.65 0.12 0.99 -2.51 0.00 0.00 175.55 173.49 2ky9 s THR 38 N -3.57 4.41 0.26 -3.49 2.01 -1.26 -0.44 115.64 113.55 2ky9 s THR 38 Ca 0.02 -0.40 -0.31 0.00 0.31 0.00 0.00 61.69 61.31 2ky9 s THR 38 Cb 0.02 -3.20 -0.12 0.00 0.01 0.00 0.00 72.50 69.21 2ky9 s THR 38 CO -0.10 0.15 1.61 -0.81 -0.69 0.00 0.00 174.62 174.78 2ky9 n PRO 39 N 4.95 2.63 0.00 4.92 -0.04 -1.26 -4.70 135.00 141.49 2ky9 n PRO 39 Ca -0.15 0.94 0.06 0.00 -0.04 0.00 0.00 63.50 64.31 2ky9 n PRO 39 Cb 0.50 -2.73 0.33 0.00 -0.04 0.00 0.00 33.50 31.56 2ky9 n PRO 39 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2ky9 n THR 40 N 2.71 0.00 0.31 0.52 -2.24 -0.66 -1.54 114.28 113.38 2ky9 n THR 40 Ca 0.11 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 62.09 2ky9 n THR 40 Cb 0.35 -0.68 1.00 0.00 -2.10 0.00 0.00 70.33 68.90 2ky9 n THR 40 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 2ky9 h ASN 41 N 0.00 0.00 0.00 3.42 -1.24 -1.82 -3.48 115.58 112.46 2ky9 h ASN 41 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2ky9 h ASN 41 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 2ky9 h ASN 41 CO 0.00 0.02 0.00 0.61 -1.29 0.00 0.00 177.43 176.77 2ky9 n GLY 42 N -0.78 0.75 0.00 1.57 0.00 -0.59 -5.06 105.19 101.08 2ky9 n GLY 42 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2ky9 n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ky9 n GLY 43 N -2.44 0.77 3.70 -0.02 0.00 -1.26 -5.05 105.19 100.90 2ky9 n GLY 43 Ca 0.00 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 4.14 4.34 0.05 1.61 0.74 -1.26 -4.90 119.66 124.38 2ky9 s GLN 44 Ca 0.00 1.94 -0.30 0.00 0.05 0.00 0.00 55.36 57.05 2ky9 s GLN 44 Cb 0.00 -3.39 -0.09 0.00 1.10 0.00 0.00 33.01 30.63 2ky9 s GLN 44 CO 0.00 -0.43 1.82 0.50 -0.55 0.00 0.00 175.29 176.63 2ky9 s ARG 45 N 1.55 4.16 -0.45 1.67 3.52 -1.26 -4.44 118.95 123.70 2ky9 s ARG 45 Ca 0.62 2.49 -0.26 0.00 -0.13 0.00 0.00 55.73 58.45 2ky9 s ARG 45 Cb -0.33 -3.88 0.03 0.00 -1.56 0.00 0.00 34.95 29.21 2ky9 s ARG 45 CO 0.28 -0.87 0.94 0.08 -0.81 0.00 0.00 175.30 174.93 2ky9 s VAL 46 N 3.61 4.47 0.04 7.11 1.01 0.41 -4.96 120.40 132.08 2ky9 s VAL 46 Ca 0.81 0.86 -0.00 0.00 0.00 0.00 0.00 61.98 63.65 2ky9 s VAL 46 Cb -0.41 -4.43 -0.04 0.00 0.00 0.00 0.00 36.38 31.49 2ky9 s VAL 46 CO 0.36 -0.80 0.16 1.51 0.00 0.00 0.00 175.10 176.34 2ky9 s ASP 47 N 2.22 6.14 -1.48 3.32 -4.77 -1.26 -1.39 116.67 119.44 2ky9 s ASP 47 Ca 0.38 0.23 -0.12 0.00 -3.30 0.00 0.00 52.55 49.75 2ky9 s ASP 47 Cb -0.10 -1.85 0.06 0.00 -1.09 0.00 0.00 42.92 39.94 2ky9 s ASP 47 CO 0.26 0.21 0.92 1.41 0.70 0.00 0.00 175.17 178.67 2ky9 n HIS 48 N 0.62 -2.31 -1.73 2.11 8.25 -0.95 -4.90 115.22 116.30 2ky9 n HIS 48 Ca -0.08 0.83 -0.42 0.00 -0.26 0.00 0.00 57.72 57.79 2ky9 n HIS 48 Cb 0.52 -4.08 -0.03 0.00 1.12 0.00 0.00 29.99 27.51 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 -3.25 2.65 -0.06 4.41 2.46 -0.21 -4.80 115.29 116.50 2ky9 s HIS 49 Ca 0.59 0.23 0.03 0.00 0.47 0.00 0.00 55.06 56.38 2ky9 s HIS 49 Cb -0.29 -4.14 0.00 0.00 -0.13 0.00 0.00 32.58 28.02 2ky9 s HIS 49 CO 0.73 -4.47 -0.16 0.15 -2.47 0.00 0.00 174.74 168.51 2ky9 s LYS 50 N 1.72 1.91 0.22 2.88 1.02 -1.26 -3.52 119.74 122.70 2ky9 s LYS 50 Ca 0.77 -0.57 0.11 0.00 0.02 0.00 0.00 55.97 56.30 2ky9 s LYS 50 Cb -0.48 -1.59 -0.04 0.00 -0.52 0.00 0.00 37.83 35.20 2ky9 s LYS 50 CO 0.33 0.15 -0.17 -1.58 -0.92 0.00 0.00 175.35 173.17 2ky9 s TRP 51 N 0.31 2.42 0.24 3.18 0.52 -0.54 -4.81 118.94 120.27 2ky9 s TRP 51 Ca -0.10 -0.30 0.10 0.00 0.02 0.00 0.00 56.10 55.81 2ky9 s TRP 51 Cb -0.14 -1.15 -0.05 0.00 -1.15 0.00 0.00 33.47 30.98 2ky9 s TRP 51 CO 0.04 0.57 -0.16 0.14 0.02 0.00 0.00 176.95 177.55 2ky9 s VAL 52 N -1.93 2.06 0.25 4.03 -7.23 -1.23 -3.24 120.40 113.11 2ky9 s VAL 52 Ca 0.25 -2.29 0.06 0.00 -1.81 0.00 0.00 61.98 58.19 2ky9 s VAL 52 Cb -0.07 -2.19 -0.05 0.00 0.56 0.00 0.00 36.38 34.62 2ky9 s VAL 52 CO 0.13 -0.49 -0.07 0.27 -0.31 0.00 0.00 175.10 174.63 2ky9 s ILE 53 N -2.77 1.58 0.22 -0.62 -4.36 -1.26 -1.11 121.20 112.88 2ky9 s ILE 53 Ca 0.26 -2.13 -0.14 0.00 -0.26 0.00 0.00 60.65 58.38 2ky9 s ILE 53 Cb -0.02 -2.33 0.26 0.00 1.25 0.00 0.00 42.46 41.62 2ky9 s ILE 53 CO 0.11 -0.38 1.59 -0.61 0.24 0.00 0.00 174.94 175.89 2ky9 h GLN 54 N 2.38 -0.04 -0.00 0.37 5.75 -1.59 -2.18 115.11 119.80 2ky9 h GLN 54 Ca -0.39 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.11 2ky9 h GLN 54 Cb 1.23 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.79 2ky9 h GLN 54 CO 0.66 -0.03 -0.06 0.39 -2.65 0.00 0.00 178.83 177.13 2ky9 n GLU 55 N -5.49 0.47 0.01 1.69 1.02 -1.26 -2.87 120.64 114.21 2ky9 n GLU 55 Ca 0.09 -0.08 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 2ky9 n GLU 55 Cb 0.39 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.17 2ky9 n GLU 55 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2ky9 h GLU 56 N 0.21 0.12 -6.43 3.49 4.22 -1.81 -3.47 114.58 110.90 2ky9 h GLU 56 Ca 0.00 -0.20 -0.54 0.00 0.08 0.00 0.00 59.36 58.70 2ky9 h GLU 56 Cb 0.34 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2ky9 h GLU 56 CO 0.00 0.83 0.40 0.42 -2.18 0.00 0.00 179.01 178.49 2ky9 s ILE 57 N -2.60 4.70 0.23 2.32 1.01 -1.02 -3.46 121.20 122.38 2ky9 s ILE 57 Ca -0.10 1.95 -0.00 0.00 0.00 0.00 0.00 60.65 62.50 2ky9 s ILE 57 Cb 0.08 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.30 2ky9 s ILE 57 CO 0.82 0.16 1.61 0.50 0.00 0.00 0.00 174.94 178.02 2ky9 h LYS 58 N 6.73 0.53 0.00 2.79 3.64 -1.74 -2.99 116.57 125.53 2ky9 h LYS 58 Ca -0.41 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 58.71 2ky9 h LYS 58 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2ky9 h LYS 58 CO 0.76 0.84 0.00 -3.47 -2.27 0.00 0.00 179.45 175.31 2ky9 n ASP 59 N -4.03 0.00 -0.30 4.20 2.03 -1.26 -4.55 116.55 112.64 2ky9 n ASP 59 Ca -0.02 0.35 -0.07 0.00 0.52 0.00 0.00 54.79 55.57 2ky9 n ASP 59 Cb 0.51 -0.44 -0.06 0.00 -0.72 0.00 0.00 41.12 40.40 2ky9 n ASP 59 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ky9 n ALA 60 N -1.44 -0.42 -1.53 -1.67 0.00 -1.13 -4.82 120.51 109.50 2ky9 n ALA 60 Ca 0.08 0.61 -0.15 0.00 0.00 0.00 0.00 53.44 53.98 2ky9 n ALA 60 Cb 0.27 -0.12 -0.06 0.00 0.00 0.00 0.00 19.45 19.54 2ky9 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ky9 n GLY 61 N -1.19 1.37 3.72 0.00 0.00 -1.26 -1.83 105.19 106.00 2ky9 n GLY 61 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2ky9 n GLY 61 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ky9 n ASP 62 N -0.50 0.00 -4.91 1.61 2.03 -1.26 -5.00 116.55 108.52 2ky9 n ASP 62 Ca -0.16 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.86 2ky9 n ASP 62 Cb 0.51 -1.23 -0.04 0.00 -0.72 0.00 0.00 41.12 39.65 2ky9 n ASP 62 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2ky9 s LYS 63 N -0.39 3.57 -0.41 -0.67 -2.85 -0.76 -5.06 119.74 113.16 2ky9 s LYS 63 Ca 0.00 -0.19 -0.26 0.00 -1.00 0.00 0.00 55.97 54.52 2ky9 s LYS 63 Cb 0.00 -2.82 0.02 0.00 -2.06 0.00 0.00 37.83 32.98 2ky9 s LYS 63 CO 0.00 0.40 0.94 0.99 0.10 0.00 0.00 175.35 177.78 2ky9 s THR 64 N -1.82 4.51 -0.10 3.79 2.01 -1.26 -4.91 115.64 117.86 2ky9 s THR 64 Ca 0.40 1.03 -0.30 0.00 0.31 0.00 0.00 61.69 63.14 2ky9 s THR 64 Cb -0.11 -4.40 -0.04 0.00 0.01 0.00 0.00 72.50 67.97 2ky9 s THR 64 CO 0.27 -0.69 1.44 -0.76 -0.69 0.00 0.00 174.62 174.20 2ky9 s LEU 65 N 3.67 4.25 0.36 4.42 1.43 -1.26 -5.02 118.68 126.52 2ky9 s LEU 65 Ca 0.39 1.96 -0.04 0.00 -1.03 0.00 0.00 54.13 55.41 2ky9 s LEU 65 Cb -0.11 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 2ky9 s LEU 65 CO 0.23 -0.83 0.63 -1.10 0.23 0.00 0.00 176.35 175.51 2ky9 s GLN 66 N 3.62 3.58 -0.31 1.70 -1.52 -1.26 -4.63 119.66 120.84 2ky9 s GLN 66 Ca 0.63 -0.01 -0.36 0.00 -1.95 0.00 0.00 55.36 53.68 2ky9 s GLN 66 Cb -0.27 -2.57 -0.12 0.00 -0.22 0.00 0.00 33.01 29.83 2ky9 s GLN 66 CO 0.22 0.07 2.10 -2.30 -0.25 0.00 0.00 175.29 175.14 2ky9 n PRO 67 N -1.53 1.19 0.00 2.91 -0.02 -1.26 -1.55 135.00 134.75 2ky9 n PRO 67 Ca -0.02 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2ky9 n PRO 67 Cb 0.55 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 6.05 1.25 3.68 -1.23 0.00 -0.78 -5.04 105.19 109.12 2ky9 n GLY 68 Ca 0.38 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 -1.99 6.74 -0.30 1.61 1.11 -0.59 -4.90 116.67 118.35 2ky9 s ASP 69 Ca 0.00 2.19 -0.11 0.00 0.18 0.00 0.00 52.55 54.81 2ky9 s ASP 69 Cb 0.00 -2.55 -0.04 0.00 1.07 0.00 0.00 42.92 41.41 2ky9 s ASP 69 CO 0.00 -0.83 0.19 -1.58 1.18 0.00 0.00 175.17 174.13 2ky9 s GLN 70 N 3.16 3.75 0.38 8.23 0.74 -1.26 -1.04 119.66 133.61 2ky9 s GLN 70 Ca 0.68 -0.46 0.04 0.00 0.05 0.00 0.00 55.36 55.68 2ky9 s GLN 70 Cb -0.33 -3.66 -0.06 0.00 1.10 0.00 0.00 33.01 30.06 2ky9 s GLN 70 CO 0.28 -0.27 0.05 0.14 -0.55 0.00 0.00 175.29 174.93 2ky9 s VAL 71 N 1.72 1.33 -0.07 1.34 -7.23 -0.03 -4.98 120.40 112.49 2ky9 s VAL 71 Ca 0.06 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.27 2ky9 s VAL 71 Cb -0.16 -2.73 -0.02 0.00 0.56 0.00 0.00 36.38 34.03 2ky9 s VAL 71 CO 0.10 0.00 -0.18 -0.63 -0.31 0.00 0.00 175.10 174.08 2ky9 s ILE 72 N -3.08 2.71 -0.04 -0.62 -1.09 -1.26 -1.02 121.20 116.80 2ky9 s ILE 72 Ca 0.31 -0.83 -0.18 0.00 -2.23 0.00 0.00 60.65 57.72 2ky9 s ILE 72 Cb 0.08 -2.06 -0.05 0.00 -1.58 0.00 0.00 42.46 38.85 2ky9 s ILE 72 CO 0.15 0.57 0.51 -0.76 -1.23 0.00 0.00 174.94 174.17 2ky9 s LEU 73 N -0.27 4.39 0.00 2.97 1.43 -1.21 -2.18 118.68 123.81 2ky9 s LEU 73 Ca 0.01 1.00 0.22 0.00 -1.03 0.00 0.00 54.13 54.33 2ky9 s LEU 73 Cb -0.13 -2.76 -0.05 0.00 0.03 0.00 0.00 46.19 43.28 2ky9 s LEU 73 CO 0.03 0.13 1.05 -0.62 0.23 0.00 0.00 176.35 177.17 2ky9 n GLU 74 N 2.78 1.04 -3.83 1.70 1.02 -1.22 -1.22 120.64 120.90 2ky9 n GLU 74 Ca -0.09 -0.84 -0.25 0.00 -0.02 0.00 0.00 57.16 55.96 2ky9 n GLU 74 Cb 0.51 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.43 2ky9 n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ky9 s ALA 75 N -2.55 3.90 -0.05 0.62 0.00 -1.26 -4.87 121.76 117.54 2ky9 s ALA 75 Ca 0.17 -1.00 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 2ky9 s ALA 75 Cb 0.18 -1.86 0.03 0.00 0.00 0.00 0.00 23.12 21.46 2ky9 s ALA 75 CO 0.62 0.40 -0.01 -1.54 0.00 0.00 0.00 175.76 175.23 2ky9 s SER 76 N -3.43 1.15 -0.02 0.00 1.04 -1.26 -2.63 113.70 108.55 2ky9 s SER 76 Ca 0.36 -0.07 0.21 0.00 0.48 0.00 0.00 55.95 56.93 2ky9 s SER 76 Cb -0.10 -0.37 -0.29 0.00 0.10 0.00 0.00 66.02 65.35 2ky9 s SER 76 CO 0.29 -0.14 0.63 1.41 0.98 0.00 0.00 173.24 176.41 2ky9 n HIS 77 N 4.68 0.00 -4.49 5.02 8.25 -1.26 -4.97 115.22 122.45 2ky9 n HIS 77 Ca -0.15 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.07 2ky9 n HIS 77 Cb 0.50 -0.31 -0.09 0.00 1.12 0.00 0.00 29.99 31.21 2ky9 n HIS 77 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2ky9 s MET 78 N -3.29 1.78 -0.56 -0.41 -1.94 -1.26 -5.10 119.30 108.51 2ky9 s MET 78 Ca -0.02 -2.03 -0.28 0.00 -1.71 0.00 0.00 55.69 51.65 2ky9 s MET 78 Cb 0.14 -0.79 0.02 0.00 2.01 0.00 0.00 34.83 36.22 2ky9 s MET 78 CO 0.88 -0.31 1.33 0.15 -0.01 0.00 0.00 175.02 177.06 2ky9 s LYS 79 N -3.83 3.39 0.00 2.03 -0.14 -1.26 -3.41 119.74 116.52 2ky9 s LYS 79 Ca 0.30 0.40 0.00 0.00 -1.36 0.00 0.00 55.97 55.31 2ky9 s LYS 79 Cb 0.06 -4.08 0.00 0.00 -1.68 0.00 0.00 37.83 32.13 2ky9 s LYS 79 CO 0.14 -1.83 0.00 0.41 -0.76 0.00 0.00 175.35 173.31 2ky9 n GLY 80 N 5.18 0.85 0.11 -3.33 0.00 -1.26 -3.64 105.19 103.10 2ky9 n GLY 80 Ca 0.11 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 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 0.02 -6.25 1.61 -1.53 -1.86 -1.76 114.93 105.15 2ky9 h MET 81 Ca 0.00 -0.03 -0.55 0.00 -3.44 0.00 0.00 59.70 55.68 2ky9 h MET 81 Cb 0.74 0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.79 2ky9 h MET 81 CO 0.00 1.01 1.02 0.21 0.14 0.00 0.00 176.91 179.30 2ky9 s LYS 82 N -2.37 4.20 0.00 0.39 2.20 -1.08 -2.38 119.74 120.70 2ky9 s LYS 82 Ca -0.28 2.06 0.00 0.00 -0.36 0.00 0.00 55.97 57.39 2ky9 s LYS 82 Cb 0.06 -3.89 0.00 0.00 -1.51 0.00 0.00 37.83 32.49 2ky9 s LYS 82 CO 0.61 -0.79 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 2ky9 n GLY 83 N 3.97 0.75 3.90 5.54 0.00 -0.36 -5.02 105.19 113.98 2ky9 n GLY 83 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.79 3.41 -0.28 4.61 0.00 -1.00 -4.95 121.76 120.75 2ky9 s ALA 84 Ca 0.00 -0.43 -0.22 0.00 0.00 0.00 0.00 51.96 51.31 2ky9 s ALA 84 Cb 0.00 -2.59 -0.01 0.00 0.00 0.00 0.00 23.12 20.52 2ky9 s ALA 84 CO 0.00 -0.20 0.74 0.99 0.00 0.00 0.00 175.76 177.28 2ky9 s THR 85 N -2.58 4.86 0.30 0.00 2.01 -1.26 -3.34 115.64 115.64 2ky9 s THR 85 Ca 0.48 1.20 0.10 0.00 0.31 0.00 0.00 61.69 63.77 2ky9 s THR 85 Cb -0.10 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 2ky9 s THR 85 CO 0.40 -0.14 -0.03 0.00 -0.69 0.00 0.00 174.62 174.16 2ky9 s ALA 86 N 2.79 3.12 -0.06 7.40 0.00 -0.19 -4.17 121.76 130.65 2ky9 s ALA 86 Ca 0.30 -1.83 0.02 0.00 0.00 0.00 0.00 51.96 50.46 2ky9 s ALA 86 Cb -0.15 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.47 2ky9 s ALA 86 CO 0.11 0.18 -0.10 -2.00 0.00 0.00 0.00 175.76 173.95 2ky9 s GLU 87 N -3.67 1.38 -0.43 0.00 2.12 -0.18 -0.85 118.70 117.08 2ky9 s GLU 87 Ca 0.33 -0.31 -0.27 0.00 0.36 0.00 0.00 54.97 55.08 2ky9 s GLU 87 Cb -0.03 -1.19 -0.04 0.00 0.26 0.00 0.00 34.13 33.13 2ky9 s GLU 87 CO 0.19 -0.00 2.07 0.42 -0.54 0.00 0.00 175.26 177.39 2ky9 s ILE 88 N 0.71 3.22 0.14 -3.70 -1.09 -0.20 -1.27 121.20 119.01 2ky9 s ILE 88 Ca -0.13 0.19 -0.07 0.00 -2.23 0.00 0.00 60.65 58.40 2ky9 s ILE 88 Cb -0.15 -3.42 -0.14 0.00 -1.58 0.00 0.00 42.46 37.17 2ky9 s ILE 88 CO 0.02 -0.35 1.36 -0.78 -1.23 0.00 0.00 174.94 173.96 2ky9 h ASP 89 N 15.72 0.73 -4.85 3.58 3.58 -1.22 -2.07 116.42 131.88 2ky9 h ASP 89 Ca -0.30 -0.48 0.02 0.00 0.42 0.00 0.00 57.03 56.69 2ky9 h ASP 89 Cb 1.21 -0.22 -0.14 0.00 1.72 0.00 0.00 39.33 41.90 2ky9 h ASP 89 CO 1.10 1.26 0.31 -0.55 -2.88 0.00 0.00 179.24 178.48 2ky9 s SER 90 N -7.05 -0.50 0.13 2.28 0.15 -1.09 -4.62 113.70 102.99 2ky9 s SER 90 Ca -0.08 0.06 0.10 0.00 0.70 0.00 0.00 55.95 56.73 2ky9 s SER 90 Cb 0.09 0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 64.88 2ky9 s SER 90 CO 0.88 -0.81 -0.23 0.00 1.20 0.00 0.00 173.24 174.28 2ky9 s ALA 91 N -3.29 2.53 -0.20 5.45 0.00 -1.26 -1.92 121.76 123.06 2ky9 s ALA 91 Ca 0.01 -1.44 -0.14 0.00 0.00 0.00 0.00 51.96 50.39 2ky9 s ALA 91 Cb -0.01 -0.49 0.06 0.00 0.00 0.00 0.00 23.12 22.68 2ky9 s ALA 91 CO -0.10 0.55 0.52 -2.00 0.00 0.00 0.00 175.76 174.73 2ky9 s GLU 92 N -2.17 0.55 -0.70 0.00 2.56 -0.71 -4.97 118.70 113.25 2ky9 s GLU 92 Ca 0.16 0.86 -0.19 0.00 0.00 0.00 0.00 54.97 55.81 2ky9 s GLU 92 Cb -0.10 0.14 0.12 0.00 2.00 0.00 0.00 34.13 36.29 2ky9 s GLU 92 CO 0.08 -0.12 0.83 0.15 -0.56 0.00 0.00 175.26 175.64 2ky9 s LYS 93 N 1.00 3.24 0.06 4.30 3.01 -1.26 -0.77 119.74 129.32 2ky9 s LYS 93 Ca -0.06 -1.51 0.01 0.00 -1.01 0.00 0.00 55.97 53.40 2ky9 s LYS 93 Cb -0.06 -4.42 -0.03 0.00 -1.01 0.00 0.00 37.83 32.31 2ky9 s LYS 93 CO -0.09 -1.59 -0.06 -0.08 0.51 0.00 0.00 175.35 174.04 2ky9 s THR 94 N 2.51 0.48 -0.25 2.17 -1.32 -1.18 -5.00 115.64 113.04 2ky9 s THR 94 Ca 0.18 -1.41 -0.29 0.00 -1.21 0.00 0.00 61.69 58.96 2ky9 s THR 94 Cb -0.17 -1.01 0.01 0.00 -1.51 0.00 0.00 72.50 69.82 2ky9 s THR 94 CO 0.01 -0.63 1.04 -0.89 -2.21 0.00 0.00 174.62 171.94 2ky9 s THR 95 N -2.42 4.65 -0.11 5.08 2.01 -1.26 -3.70 115.64 119.89 2ky9 s THR 95 Ca -0.02 1.96 -0.02 0.00 0.31 0.00 0.00 61.69 63.92 2ky9 s THR 95 Cb -0.03 -4.33 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 2ky9 s THR 95 CO -0.03 -0.24 -0.03 0.68 -0.69 0.00 0.00 174.62 174.31 2ky9 s VAL 96 N 3.29 3.99 0.04 3.82 -7.23 0.13 -2.28 120.40 122.16 2ky9 s VAL 96 Ca 0.44 -0.35 0.04 0.00 -1.81 0.00 0.00 61.98 60.30 2ky9 s VAL 96 Cb -0.14 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 34.07 2ky9 s VAL 96 CO 0.08 0.56 -0.06 -0.31 -0.31 0.00 0.00 175.10 175.06 2ky9 s TYR 97 N -0.42 2.87 -0.25 2.82 1.51 -0.05 -1.34 117.35 122.48 2ky9 s TYR 97 Ca 0.07 -0.07 -0.06 0.00 -1.01 0.00 0.00 57.07 56.00 2ky9 s TYR 97 Cb -0.12 -1.55 -0.02 0.00 -0.11 0.00 0.00 41.96 40.16 2ky9 s TYR 97 CO 0.02 0.40 0.04 1.41 -1.11 0.00 0.00 175.55 176.32 2ky9 s MET 98 N -1.77 3.47 0.37 -0.62 -2.45 -0.46 -2.89 119.30 114.95 2ky9 s MET 98 Ca 0.20 -0.59 0.04 0.00 -1.25 0.00 0.00 55.69 54.08 2ky9 s MET 98 Cb -0.11 -3.26 -0.05 0.00 1.25 0.00 0.00 34.83 32.66 2ky9 s MET 98 CO 0.11 -0.24 0.08 0.14 1.05 0.00 0.00 175.02 176.15 2ky9 s VAL 99 N 1.56 1.00 -0.02 10.11 -7.23 -0.58 -0.46 120.40 124.78 2ky9 s VAL 99 Ca 0.05 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 2ky9 s VAL 99 Cb -0.15 -2.60 0.02 0.00 0.56 0.00 0.00 36.38 34.20 2ky9 s VAL 99 CO 0.02 0.00 -0.01 1.51 -0.31 0.00 0.00 175.10 176.31 2ky9 s ASP 100 N -3.56 0.32 0.34 4.85 -4.77 -0.05 -0.01 116.67 113.80 2ky9 s ASP 100 Ca 0.30 -0.03 -0.07 0.00 -3.30 0.00 0.00 52.55 49.46 2ky9 s ASP 100 Cb 0.06 -0.14 0.01 0.00 -1.09 0.00 0.00 42.92 41.77 2ky9 s ASP 100 CO 0.14 -0.06 0.54 -0.72 0.70 0.00 0.00 175.17 175.78 2ky9 s TYR 101 N 0.64 0.75 -0.30 2.11 1.13 -0.78 -0.56 117.35 120.35 2ky9 s TYR 101 Ca -0.06 -1.10 -0.04 0.00 -1.41 0.00 0.00 57.07 54.45 2ky9 s TYR 101 Cb -0.09 0.16 0.03 0.00 -1.10 0.00 0.00 41.96 40.96 2ky9 s TYR 101 CO -0.01 -1.21 0.04 0.99 -2.51 0.00 0.00 175.55 172.85 2ky9 s THR 102 N -3.04 3.46 -0.07 -3.49 2.01 -1.26 -0.34 115.64 112.90 2ky9 s THR 102 Ca 0.26 -1.05 -0.30 0.00 0.31 0.00 0.00 61.69 60.91 2ky9 s THR 102 Cb -0.01 -2.88 -0.08 0.00 0.01 0.00 0.00 72.50 69.54 2ky9 s THR 102 CO 0.17 -0.02 2.05 -1.54 -0.69 0.00 0.00 174.62 174.59 2ky9 n SER 103 N 4.75 3.73 0.01 3.53 3.41 -0.35 -4.69 113.62 124.02 2ky9 n SER 103 Ca -0.14 0.67 0.09 0.00 -0.26 0.00 0.00 58.87 59.24 2ky9 n SER 103 Cb 0.46 -1.51 0.52 0.00 -0.26 0.00 0.00 64.21 63.42 2ky9 n SER 103 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2ky9 h THR 104 N 6.14 0.97 0.08 6.66 1.35 -1.19 0.22 112.91 127.14 2ky9 h THR 104 Ca -0.46 -0.12 -0.27 0.00 -0.55 0.00 0.00 66.41 65.01 2ky9 h THR 104 Cb 1.25 0.59 -0.02 0.00 -1.73 0.00 0.00 68.15 68.24 2ky9 h THR 104 CO 0.95 0.06 -1.43 0.71 -0.25 0.00 0.00 175.52 175.57 2ky9 h THR 105 N 0.35 0.94 0.03 6.82 1.35 -1.85 -3.42 112.91 117.13 2ky9 h THR 105 Ca 0.18 -2.32 -0.30 0.00 -0.55 0.00 0.00 66.41 63.43 2ky9 h THR 105 Cb 0.29 2.55 -0.04 0.00 -1.73 0.00 0.00 68.15 69.21 2ky9 h THR 105 CO -0.04 0.62 -1.69 0.28 -0.25 0.00 0.00 175.52 174.44 2ky9 h SER 106 N -0.47 0.09 0.00 5.36 0.02 -1.90 -3.49 113.55 113.17 2ky9 h SER 106 Ca -0.33 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 2ky9 h SER 106 Cb 1.65 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.16 2ky9 h SER 106 CO -0.02 1.16 0.00 0.61 -1.14 0.00 0.00 176.83 177.44 2ky9 n GLY 107 N 1.61 1.30 3.72 -3.77 0.00 0.06 -5.04 105.19 103.07 2ky9 n GLY 107 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.46 4.57 -0.90 1.61 2.12 -1.26 -4.70 118.70 119.68 2ky9 s GLU 108 Ca 0.00 1.60 -0.25 0.00 0.36 0.00 0.00 54.97 56.68 2ky9 s GLU 108 Cb 0.00 -3.36 0.04 0.00 0.26 0.00 0.00 34.13 31.07 2ky9 s GLU 108 CO 0.00 -0.00 1.37 0.15 -0.54 0.00 0.00 175.26 176.24 2ky9 s LYS 109 N 0.39 3.42 -0.59 4.30 3.01 -1.26 -1.21 119.74 127.80 2ky9 s LYS 109 Ca 0.52 -0.77 -0.28 0.00 -1.01 0.00 0.00 55.97 54.42 2ky9 s LYS 109 Cb -0.26 -4.86 0.02 0.00 -1.01 0.00 0.00 37.83 31.71 2ky9 s LYS 109 CO 0.31 -2.17 1.36 0.08 0.51 0.00 0.00 175.35 175.44 2ky9 s VAL 110 N 5.23 3.82 -0.17 3.17 1.01 0.53 -4.90 120.40 129.09 2ky9 s VAL 110 Ca 0.41 0.68 -0.09 0.00 0.00 0.00 0.00 61.98 62.98 2ky9 s VAL 110 Cb -0.04 -4.54 -0.05 0.00 0.00 0.00 0.00 36.38 31.76 2ky9 s VAL 110 CO 0.00 -1.28 0.14 -0.54 0.00 0.00 0.00 175.10 173.42 2ky9 s LYS 111 N 5.45 3.91 -1.43 2.72 -0.14 -1.26 -1.86 119.74 127.14 2ky9 s LYS 111 Ca 0.49 -0.18 -0.05 0.00 -1.36 0.00 0.00 55.97 54.87 2ky9 s LYS 111 Cb -0.10 -3.33 0.01 0.00 -1.68 0.00 0.00 37.83 32.72 2ky9 s LYS 111 CO 0.24 0.48 0.62 0.09 -0.76 0.00 0.00 175.35 176.02 2ky9 n ASN 112 N 2.94 -5.85 -4.70 2.83 4.13 -0.77 -4.95 115.26 108.89 2ky9 n ASN 112 Ca -0.17 -0.29 -0.43 0.00 1.68 0.00 0.00 54.58 55.37 2ky9 n ASN 112 Cb 0.53 -4.65 -0.03 0.00 -1.54 0.00 0.00 39.78 34.09 2ky9 n ASN 112 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 2ky9 n HIS 113 N -4.47 2.63 -3.70 3.10 -0.00 0.99 -4.68 115.22 109.09 2ky9 n HIS 113 Ca -0.09 0.07 -0.14 0.00 0.46 0.00 0.00 57.72 58.02 2ky9 n HIS 113 Cb 0.61 -2.65 -0.08 0.00 -0.12 0.00 0.00 29.99 27.74 2ky9 n HIS 113 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 2ky9 s LYS 114 N 1.27 0.71 -0.09 1.57 -2.85 -1.26 -1.53 119.74 117.56 2ky9 s LYS 114 Ca 0.77 0.11 -0.01 0.00 -1.00 0.00 0.00 55.97 55.84 2ky9 s LYS 114 Cb -0.54 0.33 -0.03 0.00 -2.06 0.00 0.00 37.83 35.52 2ky9 s LYS 114 CO 0.34 -0.18 -0.04 -1.58 0.10 0.00 0.00 175.35 173.98 2ky9 s TRP 115 N -0.90 3.02 0.44 1.78 0.52 -1.20 -4.88 118.94 117.71 2ky9 s TRP 115 Ca -0.10 0.03 0.05 0.00 0.02 0.00 0.00 56.10 56.11 2ky9 s TRP 115 Cb -0.04 -1.77 -0.06 0.00 -1.15 0.00 0.00 33.47 30.45 2ky9 s TRP 115 CO 0.05 0.32 0.01 0.14 0.02 0.00 0.00 176.95 177.49 2ky9 s VAL 116 N -0.66 1.77 0.51 4.03 -7.23 -1.14 -1.46 120.40 116.23 2ky9 s VAL 116 Ca 0.10 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.30 2ky9 s VAL 116 Cb -0.12 -2.76 -0.01 0.00 0.56 0.00 0.00 36.38 34.06 2ky9 s VAL 116 CO 0.02 0.00 0.06 0.42 -0.31 0.00 0.00 175.10 175.29 2ky9 s THR 117 N -2.75 1.25 0.35 5.32 -4.23 -1.26 -0.88 115.64 113.44 2ky9 s THR 117 Ca 0.27 -1.93 0.17 0.00 -1.18 0.00 0.00 61.69 59.02 2ky9 s THR 117 Cb 0.07 -2.18 0.15 0.00 1.34 0.00 0.00 72.50 71.89 2ky9 s THR 117 CO 0.14 0.00 1.88 -0.08 -0.54 0.00 0.00 174.62 176.02 2ky9 h GLU 118 N 1.28 0.00 0.00 3.99 4.81 -1.80 -2.84 114.58 120.01 2ky9 h GLU 118 Ca -0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2ky9 h GLU 118 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2ky9 h GLU 118 CO 0.72 0.30 -0.18 0.22 -0.73 0.00 0.00 179.01 179.33 2ky9 h ASP 119 N 0.00 0.00 1.77 1.04 3.58 -1.96 -2.97 116.42 117.88 2ky9 h ASP 119 Ca -0.00 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2ky9 h ASP 119 Cb 0.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.64 2ky9 h ASP 119 CO 0.04 0.03 -0.11 -0.33 -2.88 0.00 0.00 179.24 175.99 2ky9 h GLU 120 N 0.00 0.00 -6.24 0.28 4.39 -1.80 -3.42 114.58 107.79 2ky9 h GLU 120 Ca 0.00 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 2ky9 h GLU 120 Cb 0.76 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.30 2ky9 h GLU 120 CO 0.00 0.00 -0.69 -0.51 -1.16 0.00 0.00 179.01 176.65 2ky9 s LEU 121 N -5.74 3.00 -0.01 1.33 1.43 -1.12 -1.69 118.68 115.87 2ky9 s LEU 121 Ca 0.07 -0.74 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 2ky9 s LEU 121 Cb 0.07 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.75 2ky9 s LEU 121 CO 0.67 0.03 -0.02 -0.44 0.23 0.00 0.00 176.35 176.81 2ky9 s SER 122 N -3.51 0.36 0.87 2.29 0.01 -0.19 -4.77 113.70 108.77 2ky9 s SER 122 Ca 0.30 -0.05 -0.12 0.00 1.31 0.00 0.00 55.95 57.39 2ky9 s SER 122 Cb -0.06 -0.07 0.08 0.00 0.21 0.00 0.00 66.02 66.18 2ky9 s SER 122 CO 0.18 0.01 0.94 0.00 0.41 0.00 0.00 173.24 174.78 2ky9 n ALA 123 N 3.21 -1.04 -0.18 1.44 0.00 -1.26 -0.08 120.51 122.59 2ky9 n ALA 123 Ca -0.15 -0.47 0.16 0.00 0.00 0.00 0.00 53.44 52.98 2ky9 n ALA 123 Cb 0.57 -2.09 0.50 0.00 0.00 0.00 0.00 19.45 18.43 2ky9 n ALA 123 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2ky9 h LYS 124 N -1.36 0.42 -0.00 0.00 1.63 -1.87 -0.41 116.57 114.98 2ky9 h LYS 124 Ca -0.44 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.32 2ky9 h LYS 124 Cb 1.29 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 2ky9 h LYS 124 CO 0.41 0.28 -0.03 1.25 -3.45 0.00 0.00 179.45 177.91 2ky9 h LEU 125 N 0.43 0.03 -9.96 5.20 5.85 -1.91 -3.47 115.31 111.49 2ky9 h LEU 125 Ca 0.39 -0.79 -0.53 0.00 0.84 0.00 0.00 57.88 57.78 2ky9 h LEU 125 Cb 0.88 -0.01 0.09 0.00 0.37 0.00 0.00 40.66 41.99 2ky9 h LEU 125 CO -0.13 0.82 0.63 -0.70 -0.34 0.00 0.00 178.44 178.72 2ky9 s GLU 126 N -3.04 3.88 -0.29 1.25 2.56 -0.16 -5.04 118.70 117.85 2ky9 s GLU 126 Ca -0.18 2.22 0.02 0.00 0.00 0.00 0.00 54.97 57.04 2ky9 s GLU 126 Cb -0.01 -2.72 0.18 0.00 2.00 0.00 0.00 34.13 33.59 2ky9 s GLU 126 CO 0.69 -0.58 0.54 -1.58 -0.56 0.00 0.00 175.26 173.77 2ky9 s HIS 127 N -1.25 -1.56 -0.31 5.30 5.65 -1.26 -4.22 115.29 117.64 2ky9 s HIS 127 Ca 0.58 1.14 -0.02 0.00 0.25 0.00 0.00 55.06 57.01 2ky9 s HIS 127 Cb -0.39 0.30 0.11 0.00 -1.18 0.00 0.00 32.58 31.41 2ky9 s HIS 127 CO 0.51 -0.97 0.14 -1.01 -0.65 0.00 0.00 174.74 172.75 2ky9 s HIS 128 N 2.77 0.75 0.04 3.88 3.76 -1.26 -5.14 115.29 120.09 2ky9 s HIS 128 Ca 0.14 -1.24 -0.31 0.00 -0.15 0.00 0.00 55.06 53.50 2ky9 s HIS 128 Cb -0.12 -1.12 -0.06 0.00 1.11 0.00 0.00 32.58 32.38 2ky9 s HIS 128 CO -0.24 -0.84 1.40 -3.38 -0.85 0.00 0.00 174.74 170.83 2ky9 s HIS 129 N 1.77 2.98 0.00 1.40 -3.43 -1.26 -4.86 115.29 111.89 2ky9 s HIS 129 Ca 0.11 0.85 0.00 0.00 -0.80 0.00 0.00 55.06 55.22 2ky9 s HIS 129 Cb -0.18 -3.68 0.00 0.00 -1.43 0.00 0.00 32.58 27.30 2ky9 s HIS 129 CO -0.27 -2.47 0.00 -2.39 -2.00 0.00 0.00 174.74 167.61 2ky9 n HIS 130 N 4.86 0.00 -3.70 0.38 1.44 -1.26 -5.14 115.22 111.80 2ky9 n HIS 130 Ca 0.13 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.79 2ky9 n HIS 130 Cb 0.43 0.01 -0.02 0.00 0.12 0.00 0.00 29.99 30.54 2ky9 n HIS 130 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2ky9 s HIS 131 N 0.00 -0.19 -2.15 -1.40 3.76 -1.26 -5.13 115.29 108.92 2ky9 s HIS 131 Ca 0.00 -0.09 0.31 0.00 -0.15 0.00 0.00 55.06 55.13 2ky9 s HIS 131 Cb 0.00 0.62 1.66 0.00 1.11 0.00 0.00 32.58 35.97 2ky9 s HIS 131 CO 0.00 -0.80 2.09 1.58 -0.85 0.00 0.00 174.74 176.76