#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 2.41 0.13 0.03 0.00 -1.26 -5.01 119.74 116.04 2ky9 s LYS 2 Ca 0.00 -0.88 -0.31 0.00 0.00 0.00 0.00 55.97 54.78 2ky9 s LYS 2 Cb 0.00 -2.46 -0.09 0.00 0.00 0.00 0.00 37.83 35.28 2ky9 s LYS 2 CO 0.00 0.54 1.45 0.08 0.00 0.00 0.00 175.35 177.42 2ky9 s VAL 3 N -1.24 3.06 0.00 1.79 1.01 -1.26 -2.65 120.40 121.10 2ky9 s VAL 3 Ca 0.23 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.97 2ky9 s VAL 3 Cb -0.11 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2ky9 s VAL 3 CO 0.15 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.92 2ky9 n GLY 4 N 3.58 0.18 3.85 4.51 0.00 -0.07 -5.03 105.19 112.21 2ky9 n GLY 4 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.09 6.70 -0.31 1.61 0.15 -1.08 -4.88 113.70 113.79 2ky9 s SER 5 Ca 0.00 1.27 -0.12 0.00 0.70 0.00 0.00 55.95 57.80 2ky9 s SER 5 Cb 0.00 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 61.91 2ky9 s SER 5 CO 0.00 -0.28 0.21 -1.10 1.20 0.00 0.00 173.24 173.26 2ky9 s GLN 6 N -3.28 3.67 0.17 5.44 -0.21 -1.26 -1.41 119.66 122.78 2ky9 s GLN 6 Ca 0.54 -0.51 0.09 0.00 0.02 0.00 0.00 55.36 55.50 2ky9 s GLN 6 Cb -0.10 -3.71 -0.04 0.00 1.00 0.00 0.00 33.01 30.16 2ky9 s GLN 6 CO 0.22 -0.32 -0.19 0.14 -2.12 0.00 0.00 175.29 173.01 2ky9 s VAL 7 N 1.73 1.87 -0.17 1.09 -7.23 -0.25 -3.24 120.40 114.21 2ky9 s VAL 7 Ca 0.06 -1.91 -0.09 0.00 -1.81 0.00 0.00 61.98 58.23 2ky9 s VAL 7 Cb -0.17 -1.86 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 2ky9 s VAL 7 CO 0.10 -0.28 0.12 -0.63 -0.31 0.00 0.00 175.10 174.10 2ky9 s ILE 8 N -1.97 5.34 -0.17 -0.62 -1.09 0.70 -0.37 121.20 123.03 2ky9 s ILE 8 Ca 0.16 0.16 -0.25 0.00 -2.23 0.00 0.00 60.65 58.49 2ky9 s ILE 8 Cb -0.06 -3.39 -0.02 0.00 -1.58 0.00 0.00 42.46 37.41 2ky9 s ILE 8 CO 0.07 0.51 0.82 -0.63 -1.23 0.00 0.00 174.94 174.47 2ky9 s ILE 9 N -0.12 4.89 -0.26 2.92 1.01 -1.02 -1.13 121.20 127.48 2ky9 s ILE 9 Ca 0.10 1.61 -0.08 0.00 0.00 0.00 0.00 60.65 62.28 2ky9 s ILE 9 Cb -0.11 -4.13 -0.13 0.00 0.01 0.00 0.00 42.46 38.10 2ky9 s ILE 9 CO 0.00 0.04 -0.30 -0.46 0.00 0.00 0.00 174.94 174.22 2ky9 n ASN 10 N 5.16 1.95 -4.62 3.58 6.94 -0.71 -1.64 115.26 125.92 2ky9 n ASN 10 Ca 0.04 0.17 -0.34 0.00 -0.02 0.00 0.00 54.58 54.43 2ky9 n ASN 10 Cb 0.49 -0.66 -0.10 0.00 -2.36 0.00 0.00 39.78 37.15 2ky9 n ASN 10 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2ky9 s THR 11 N -2.50 3.93 0.19 5.53 2.01 -1.21 -4.84 115.64 118.75 2ky9 s THR 11 Ca -0.36 -0.44 -0.23 0.00 0.31 0.00 0.00 61.69 60.96 2ky9 s THR 11 Cb 0.13 -2.64 0.06 0.00 0.01 0.00 0.00 72.50 70.05 2ky9 s THR 11 CO 0.51 0.56 0.66 -0.44 -0.69 0.00 0.00 174.62 175.22 2ky9 s SER 12 N -0.96 -0.45 -0.20 3.53 0.01 -1.26 -4.70 113.70 109.66 2ky9 s SER 12 Ca 0.14 -0.21 -0.02 0.00 1.31 0.00 0.00 55.95 57.17 2ky9 s SER 12 Cb -0.11 0.63 -0.21 0.00 0.21 0.00 0.00 66.02 66.54 2ky9 s SER 12 CO 0.03 -1.08 0.02 1.41 0.41 0.00 0.00 173.24 174.04 2ky9 n HIS 13 N -0.40 0.55 -2.99 2.43 8.25 -1.26 -4.98 115.22 116.81 2ky9 n HIS 13 Ca -0.12 0.12 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 2ky9 n HIS 13 Cb 0.63 -1.07 -0.06 0.00 1.12 0.00 0.00 29.99 30.61 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 -2.53 4.47 0.36 -0.41 -1.94 -1.26 -5.00 119.30 112.99 2ky9 s MET 14 Ca -0.30 1.09 0.17 0.00 -1.71 0.00 0.00 55.69 54.95 2ky9 s MET 14 Cb 0.08 -3.07 0.63 0.00 2.01 0.00 0.00 34.83 34.48 2ky9 s MET 14 CO 0.67 0.47 1.72 0.87 -0.01 0.00 0.00 175.02 178.74 2ky9 h LYS 15 N 3.87 0.00 0.00 2.03 6.56 -2.01 -3.20 116.57 123.82 2ky9 h LYS 15 Ca -0.47 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.12 2ky9 h LYS 15 Cb 1.20 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 2ky9 h LYS 15 CO 0.66 0.41 0.00 0.41 -2.06 0.00 0.00 179.45 178.86 2ky9 n GLY 16 N 0.23 -1.07 0.10 3.86 0.00 -1.26 -3.47 105.19 103.58 2ky9 n GLY 16 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 -6.30 1.61 2.86 -1.88 -1.06 114.93 110.16 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 0.20 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.87 2ky9 h MET 17 CO 0.00 0.38 1.23 -1.59 1.06 0.00 0.00 176.91 177.99 2ky9 s LYS 18 N -2.89 4.04 0.00 1.72 -2.85 -1.23 -1.66 119.74 116.87 2ky9 s LYS 18 Ca -0.02 2.45 0.00 0.00 -1.00 0.00 0.00 55.97 57.40 2ky9 s LYS 18 Cb 0.08 -4.15 0.00 0.00 -2.06 0.00 0.00 37.83 31.71 2ky9 s LYS 18 CO 0.80 -1.06 0.00 0.41 0.10 0.00 0.00 175.35 175.60 2ky9 n GLY 19 N 4.60 0.73 3.75 0.59 0.00 -0.65 -4.78 105.19 109.42 2ky9 n GLY 19 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.10 3.44 -0.79 4.61 0.00 -0.67 -4.80 121.76 120.45 2ky9 s ALA 20 Ca 0.00 1.00 -0.26 0.00 0.00 0.00 0.00 51.96 52.70 2ky9 s ALA 20 Cb 0.00 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.76 2ky9 s ALA 20 CO 0.00 -0.34 1.38 -2.00 0.00 0.00 0.00 175.76 174.81 2ky9 s GLU 21 N -1.12 3.21 0.29 0.00 2.12 -1.26 -2.44 118.70 119.49 2ky9 s GLU 21 Ca 0.48 -0.36 -0.01 0.00 0.36 0.00 0.00 54.97 55.44 2ky9 s GLU 21 Cb -0.34 -4.47 -0.04 0.00 0.26 0.00 0.00 34.13 29.54 2ky9 s GLU 21 CO 0.42 -2.24 0.51 0.00 -0.54 0.00 0.00 175.26 173.40 2ky9 s ALA 22 N 5.98 3.72 -0.11 6.30 0.00 0.50 -3.97 121.76 134.17 2ky9 s ALA 22 Ca 0.41 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.57 2ky9 s ALA 22 Cb -0.07 -2.12 0.02 0.00 0.00 0.00 0.00 23.12 20.95 2ky9 s ALA 22 CO 0.10 0.16 -0.13 0.99 0.00 0.00 0.00 175.76 176.88 2ky9 s THR 23 N -2.14 1.34 -0.59 0.00 2.01 -0.47 -1.09 115.64 114.70 2ky9 s THR 23 Ca 0.40 -0.53 -0.27 0.00 0.31 0.00 0.00 61.69 61.60 2ky9 s THR 23 Cb -0.10 -1.25 -0.00 0.00 0.01 0.00 0.00 72.50 71.15 2ky9 s THR 23 CO 0.33 0.41 1.66 -0.69 -0.69 0.00 0.00 174.62 175.64 2ky9 s VAL 24 N 1.16 3.53 -2.45 3.82 1.01 -0.50 -2.22 120.40 124.75 2ky9 s VAL 24 Ca -0.04 0.37 0.23 0.00 0.00 0.00 0.00 61.98 62.55 2ky9 s VAL 24 Cb -0.14 -4.18 0.08 0.00 0.00 0.00 0.00 36.38 32.13 2ky9 s VAL 24 CO -0.03 -1.07 1.16 0.35 0.00 0.00 0.00 175.10 175.51 2ky9 n THR 25 N 7.02 0.00 -3.54 3.92 -2.24 0.39 -0.89 114.28 118.95 2ky9 n THR 25 Ca 0.16 -0.36 -0.13 0.00 -2.27 0.00 0.00 64.05 61.45 2ky9 n THR 25 Cb 0.50 1.35 -0.05 0.00 -2.10 0.00 0.00 70.33 70.04 2ky9 n THR 25 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ky9 s GLY 26 N -2.28 -0.42 -0.20 3.38 0.00 -0.84 -4.92 107.32 102.04 2ky9 s GLY 26 Ca 0.23 1.57 -0.03 0.00 0.00 0.00 0.00 44.72 46.48 2ky9 s GLY 26 CO 0.46 0.87 0.06 0.00 0.00 0.00 0.00 173.10 174.48 2ky9 s ALA 27 N -1.53 0.88 -0.21 3.20 0.00 -1.26 -1.94 121.76 120.89 2ky9 s ALA 27 Ca -0.04 -0.69 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 2ky9 s ALA 27 Cb -0.00 -1.19 -0.02 0.00 0.00 0.00 0.00 23.12 21.91 2ky9 s ALA 27 CO 0.02 -1.23 0.00 0.71 0.00 0.00 0.00 175.76 175.26 2ky9 s TYR 28 N 1.92 3.03 -1.03 0.00 1.51 -0.25 -5.01 117.35 117.52 2ky9 s TYR 28 Ca 0.01 -0.56 -0.11 0.00 -1.01 0.00 0.00 57.07 55.40 2ky9 s TYR 28 Cb -0.17 -2.12 0.26 0.00 -0.11 0.00 0.00 41.96 39.82 2ky9 s TYR 28 CO -0.11 -0.34 1.01 0.16 -1.11 0.00 0.00 175.55 175.16 2ky9 s ASP 29 N 1.24 7.15 0.27 2.29 -4.77 -1.26 -1.29 116.67 120.30 2ky9 s ASP 29 Ca 0.03 -3.32 0.02 0.00 -3.30 0.00 0.00 52.55 45.98 2ky9 s ASP 29 Cb -0.15 -2.21 -0.05 0.00 -1.09 0.00 0.00 42.92 39.42 2ky9 s ASP 29 CO 0.01 -0.37 0.10 0.28 0.70 0.00 0.00 175.17 175.88 2ky9 s THR 30 N -0.83 0.59 -0.20 2.11 -1.32 -1.25 -5.05 115.64 109.69 2ky9 s THR 30 Ca 0.27 -2.00 -0.22 0.00 -1.21 0.00 0.00 61.69 58.52 2ky9 s THR 30 Cb -0.10 -2.64 -0.02 0.00 -1.51 0.00 0.00 72.50 68.23 2ky9 s THR 30 CO -0.08 0.00 0.71 -0.89 -2.21 0.00 0.00 174.62 172.14 2ky9 s THR 31 N -3.70 4.96 0.19 5.08 2.01 -1.26 -3.62 115.64 119.29 2ky9 s THR 31 Ca 0.37 1.34 0.09 0.00 0.31 0.00 0.00 61.69 63.80 2ky9 s THR 31 Cb 0.08 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 2ky9 s THR 31 CO 0.14 0.06 -0.08 0.00 -0.69 0.00 0.00 174.62 174.04 2ky9 s ALA 32 N 2.16 2.97 0.07 7.40 0.00 -0.50 -2.70 121.76 131.16 2ky9 s ALA 32 Ca 0.32 -1.48 0.05 0.00 0.00 0.00 0.00 51.96 50.85 2ky9 s ALA 32 Cb -0.16 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 2ky9 s ALA 32 CO 0.10 0.46 -0.15 0.71 0.00 0.00 0.00 175.76 176.88 2ky9 s TYR 33 N -1.75 1.25 -0.38 0.00 2.02 0.65 -1.46 117.35 117.69 2ky9 s TYR 33 Ca 0.25 -0.44 -0.13 0.00 -0.37 0.00 0.00 57.07 56.39 2ky9 s TYR 33 Cb -0.09 -0.71 0.02 0.00 -0.40 0.00 0.00 41.96 40.78 2ky9 s TYR 33 CO 0.16 0.06 0.24 0.08 -1.57 0.00 0.00 175.55 174.52 2ky9 s VAL 34 N -1.21 4.92 0.07 0.71 1.01 -0.81 -3.18 120.40 121.91 2ky9 s VAL 34 Ca -0.01 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.37 2ky9 s VAL 34 Cb -0.10 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 2ky9 s VAL 34 CO 0.02 -0.21 -0.20 0.68 0.00 0.00 0.00 175.10 175.39 2ky9 s VAL 35 N 1.63 1.65 -0.11 2.92 -7.23 -0.79 -0.96 120.40 117.51 2ky9 s VAL 35 Ca 0.04 -1.33 0.02 0.00 -1.81 0.00 0.00 61.98 58.91 2ky9 s VAL 35 Cb -0.19 -1.47 -0.01 0.00 0.56 0.00 0.00 36.38 35.28 2ky9 s VAL 35 CO 0.08 0.09 -0.20 -0.94 -0.31 0.00 0.00 175.10 173.82 2ky9 s SER 36 N -1.47 3.44 0.16 4.85 1.04 -0.17 -0.85 113.70 120.71 2ky9 s SER 36 Ca 0.07 -0.47 -0.22 0.00 0.48 0.00 0.00 55.95 55.81 2ky9 s SER 36 Cb -0.09 -1.49 0.06 0.00 0.10 0.00 0.00 66.02 64.60 2ky9 s SER 36 CO 0.03 0.16 0.58 -0.72 0.98 0.00 0.00 173.24 174.26 2ky9 s TYR 37 N 0.34 -0.48 -0.24 5.02 1.13 -0.25 -0.57 117.35 122.30 2ky9 s TYR 37 Ca -0.16 0.25 -0.03 0.00 -1.41 0.00 0.00 57.07 55.72 2ky9 s TYR 37 Cb -0.17 0.52 0.01 0.00 -1.10 0.00 0.00 41.96 41.22 2ky9 s TYR 37 CO 0.08 -0.84 -0.04 0.99 -2.51 0.00 0.00 175.55 173.22 2ky9 s THR 38 N -3.76 3.13 0.50 -3.49 2.01 -1.26 -0.98 115.64 111.77 2ky9 s THR 38 Ca 0.02 -0.82 -0.21 0.00 0.31 0.00 0.00 61.69 60.99 2ky9 s THR 38 Cb -0.01 -2.53 -0.09 0.00 0.01 0.00 0.00 72.50 69.88 2ky9 s THR 38 CO -0.12 0.26 0.74 -0.81 -0.69 0.00 0.00 174.62 174.00 2ky9 n PRO 39 N 4.73 0.82 0.28 4.92 -0.04 -1.26 -4.72 135.00 139.73 2ky9 n PRO 39 Ca -0.17 0.30 0.19 0.00 -0.04 0.00 0.00 63.50 63.78 2ky9 n PRO 39 Cb 0.48 -1.83 0.93 0.00 -0.04 0.00 0.00 33.50 33.05 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 0.77 0.00 0.00 0.52 1.35 -1.40 -0.79 112.91 113.36 2ky9 h THR 40 Ca -0.44 -0.16 -0.01 0.00 -0.55 0.00 0.00 66.41 65.25 2ky9 h THR 40 Cb 1.38 1.06 -0.00 0.00 -1.73 0.00 0.00 68.15 68.85 2ky9 h THR 40 CO 0.51 0.00 -0.04 -1.13 -0.25 0.00 0.00 175.52 174.61 2ky9 h ASN 41 N 0.00 0.00 -2.17 5.36 -0.73 -1.80 -3.48 115.58 112.76 2ky9 h ASN 41 Ca 0.00 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 57.96 2ky9 h ASN 41 Cb 0.17 0.00 0.02 0.00 0.27 0.00 0.00 38.32 38.77 2ky9 h ASN 41 CO 0.00 0.04 -0.30 0.61 -0.37 0.00 0.00 177.43 177.41 2ky9 n GLY 42 N -0.49 0.02 0.00 1.57 0.00 -0.30 -5.03 105.19 100.96 2ky9 n GLY 42 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.10 0.57 3.64 -0.02 0.00 -1.26 -5.09 105.19 101.93 2ky9 n GLY 43 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 2ky9 n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ky9 s GLN 44 N 1.78 -0.59 -0.12 1.61 -0.21 -1.26 -5.01 119.66 115.85 2ky9 s GLN 44 Ca 0.00 0.07 0.02 0.00 0.02 0.00 0.00 55.36 55.47 2ky9 s GLN 44 Cb 0.00 -1.66 -0.01 0.00 1.00 0.00 0.00 33.01 32.35 2ky9 s GLN 44 CO 0.00 -3.32 -0.18 0.50 -2.12 0.00 0.00 175.29 170.17 2ky9 s ARG 45 N -5.31 3.23 -0.47 2.91 3.52 -1.26 -4.22 118.95 117.34 2ky9 s ARG 45 Ca 0.69 -0.77 -0.12 0.00 -0.13 0.00 0.00 55.73 55.41 2ky9 s ARG 45 Cb -0.12 -2.50 0.10 0.00 -1.56 0.00 0.00 34.95 30.87 2ky9 s ARG 45 CO 0.56 0.17 0.35 0.08 -0.81 0.00 0.00 175.30 175.65 2ky9 s VAL 46 N 0.42 4.59 0.16 7.11 1.01 -0.16 -5.00 120.40 128.52 2ky9 s VAL 46 Ca -0.13 -1.47 0.07 0.00 0.00 0.00 0.00 61.98 60.44 2ky9 s VAL 46 Cb -0.17 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 2ky9 s VAL 46 CO 0.06 -0.66 0.01 1.51 0.00 0.00 0.00 175.10 176.02 2ky9 s ASP 47 N 2.64 4.89 -1.43 3.32 -4.77 -1.26 -1.09 116.67 118.96 2ky9 s ASP 47 Ca 0.04 -0.33 -0.05 0.00 -3.30 0.00 0.00 52.55 48.91 2ky9 s ASP 47 Cb -0.25 -1.09 0.02 0.00 -1.09 0.00 0.00 42.92 40.51 2ky9 s ASP 47 CO 0.02 0.10 0.40 1.41 0.70 0.00 0.00 175.17 177.80 2ky9 n HIS 48 N -0.03 -1.71 -2.28 2.11 8.25 -1.02 -4.90 115.22 115.63 2ky9 n HIS 48 Ca -0.10 0.36 -0.41 0.00 -0.26 0.00 0.00 57.72 57.31 2ky9 n HIS 48 Cb 0.55 -3.73 -0.03 0.00 1.12 0.00 0.00 29.99 27.90 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 3.32 -0.00 4.41 2.46 -0.03 -4.71 115.29 117.74 2ky9 s HIS 49 Ca 0.24 1.31 0.00 0.00 0.47 0.00 0.00 55.06 57.09 2ky9 s HIS 49 Cb -0.12 -3.53 0.00 0.00 -0.13 0.00 0.00 32.58 28.80 2ky9 s HIS 49 CO 0.30 -1.59 -0.00 -1.59 -2.47 0.00 0.00 174.74 169.39 2ky9 s LYS 50 N -0.19 0.03 0.10 2.88 -2.85 -1.26 -1.88 119.74 116.58 2ky9 s LYS 50 Ca 0.55 -0.00 0.09 0.00 -1.00 0.00 0.00 55.97 55.60 2ky9 s LYS 50 Cb -0.35 -0.05 -0.04 0.00 -2.06 0.00 0.00 37.83 35.34 2ky9 s LYS 50 CO 0.38 -0.00 -0.17 -1.58 0.10 0.00 0.00 175.35 174.07 2ky9 s TRP 51 N 0.06 2.56 -0.05 1.78 0.52 -1.26 -4.92 118.94 117.62 2ky9 s TRP 51 Ca -0.00 -0.25 0.03 0.00 0.02 0.00 0.00 56.10 55.90 2ky9 s TRP 51 Cb -0.01 -1.37 0.00 0.00 -1.15 0.00 0.00 33.47 30.95 2ky9 s TRP 51 CO -0.00 0.37 -0.15 0.14 0.02 0.00 0.00 176.95 177.33 2ky9 s VAL 52 N -1.12 1.28 0.52 4.03 -7.23 -1.19 -4.40 120.40 112.29 2ky9 s VAL 52 Ca 0.18 -0.60 0.08 0.00 -1.81 0.00 0.00 61.98 59.82 2ky9 s VAL 52 Cb -0.11 -1.13 0.04 0.00 0.56 0.00 0.00 36.38 35.75 2ky9 s VAL 52 CO 0.10 0.38 0.57 0.27 -0.31 0.00 0.00 175.10 176.11 2ky9 s ILE 53 N 0.33 2.17 0.21 -0.62 -4.36 -1.26 -0.25 121.20 117.41 2ky9 s ILE 53 Ca -0.09 -1.22 -0.17 0.00 -0.26 0.00 0.00 60.65 58.91 2ky9 s ILE 53 Cb -0.13 -2.38 0.20 0.00 1.25 0.00 0.00 42.46 41.39 2ky9 s ILE 53 CO 0.03 0.00 1.59 1.56 0.24 0.00 0.00 174.94 178.36 2ky9 h GLN 54 N 0.56 -0.09 0.00 0.37 1.08 -1.86 -1.98 115.11 113.19 2ky9 h GLN 54 Ca -0.35 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.86 2ky9 h GLN 54 Cb 1.29 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.74 2ky9 h GLN 54 CO 0.49 -0.06 0.00 1.49 -0.95 0.00 0.00 178.83 179.81 2ky9 h GLU 55 N -0.09 0.00 0.00 1.46 4.81 -1.96 -2.94 114.58 115.87 2ky9 h GLU 55 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2ky9 h GLU 55 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2ky9 h GLU 55 CO -0.74 0.00 -1.15 -1.91 -0.73 0.00 0.00 179.01 174.48 2ky9 n GLU 56 N -2.50 0.44 -4.43 1.92 2.13 -0.78 -4.86 120.64 112.57 2ky9 n GLU 56 Ca 0.02 0.01 -0.34 0.00 0.66 0.00 0.00 57.16 57.51 2ky9 n GLU 56 Cb 0.25 -1.66 -0.14 0.00 0.27 0.00 0.00 31.44 30.17 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 -3.29 3.40 0.05 6.31 1.01 -1.01 -2.01 121.20 125.65 2ky9 s ILE 57 Ca 0.01 -0.52 -0.30 0.00 0.00 0.00 0.00 60.65 59.83 2ky9 s ILE 57 Cb 0.13 -2.48 -0.18 0.00 0.01 0.00 0.00 42.46 39.94 2ky9 s ILE 57 CO 0.81 0.49 1.51 0.50 0.00 0.00 0.00 174.94 178.25 2ky9 h LYS 58 N 7.06 -0.74 0.00 2.79 3.64 -1.25 -3.21 116.57 124.86 2ky9 h LYS 58 Ca -0.31 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2ky9 h LYS 58 Cb 1.19 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 2ky9 h LYS 58 CO 0.59 -0.46 0.00 0.22 -2.27 0.00 0.00 179.45 177.53 2ky9 h ASP 59 N -0.86 0.00 -0.91 4.20 3.58 -1.94 -3.33 116.42 117.16 2ky9 h ASP 59 Ca -0.08 0.00 0.24 0.00 0.42 0.00 0.00 57.03 57.61 2ky9 h ASP 59 Cb 0.62 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 41.50 2ky9 h ASP 59 CO 0.13 0.00 -0.01 0.00 -2.88 0.00 0.00 179.24 176.47 2ky9 n ALA 60 N -1.93 0.43 -1.33 -0.78 0.00 -1.21 -4.81 120.51 110.87 2ky9 n ALA 60 Ca -0.01 0.98 -0.11 0.00 0.00 0.00 0.00 53.44 54.29 2ky9 n ALA 60 Cb 0.12 -0.69 -0.05 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.47 1.21 2.57 0.00 0.00 -1.25 -1.94 105.19 104.30 2ky9 n GLY 61 Ca 0.20 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.34 -5.15 -4.79 1.61 8.00 -1.26 -5.01 116.55 109.60 2ky9 n ASP 62 Ca -0.11 0.33 -0.24 0.00 0.71 0.00 0.00 54.79 55.48 2ky9 n ASP 62 Cb 0.44 -3.84 -0.06 0.00 -0.02 0.00 0.00 41.12 37.64 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 -3.07 2.29 -0.39 -1.24 -2.85 -0.82 -5.11 119.74 108.55 2ky9 s LYS 63 Ca 0.00 -1.83 -0.21 0.00 -1.00 0.00 0.00 55.97 52.92 2ky9 s LYS 63 Cb 0.00 -2.06 0.01 0.00 -2.06 0.00 0.00 37.83 33.73 2ky9 s LYS 63 CO 0.00 -0.21 0.69 0.99 0.10 0.00 0.00 175.35 176.92 2ky9 s THR 64 N -2.61 4.80 0.06 3.79 2.01 -1.26 -4.97 115.64 117.47 2ky9 s THR 64 Ca 0.40 0.50 -0.31 0.00 0.31 0.00 0.00 61.69 62.60 2ky9 s THR 64 Cb 0.02 -4.18 -0.06 0.00 0.01 0.00 0.00 72.50 68.29 2ky9 s THR 64 CO 0.23 -0.48 1.19 -0.76 -0.69 0.00 0.00 174.62 174.10 2ky9 s LEU 65 N 2.92 4.37 0.11 4.42 1.43 -1.26 -5.04 118.68 125.63 2ky9 s LEU 65 Ca 0.26 2.00 0.02 0.00 -1.03 0.00 0.00 54.13 55.38 2ky9 s LEU 65 Cb -0.14 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 2ky9 s LEU 65 CO 0.18 -0.45 0.24 -1.10 0.23 0.00 0.00 176.35 175.45 2ky9 s GLN 66 N 1.00 3.40 -0.22 1.70 -1.52 -1.26 -4.47 119.66 118.29 2ky9 s GLN 66 Ca 0.58 -0.55 -0.34 0.00 -1.95 0.00 0.00 55.36 53.10 2ky9 s GLN 66 Cb -0.29 -2.97 -0.10 0.00 -0.22 0.00 0.00 33.01 29.42 2ky9 s GLN 66 CO 0.29 0.55 2.06 -2.30 -0.25 0.00 0.00 175.29 175.64 2ky9 n PRO 67 N -0.19 1.69 0.00 2.91 -0.02 -1.26 -1.70 135.00 136.42 2ky9 n PRO 67 Ca -0.06 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2ky9 n PRO 67 Cb 0.53 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 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 5.45 1.24 3.73 -1.23 0.00 -0.83 -5.03 105.19 108.51 2ky9 n GLY 68 Ca 0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 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 7.33 -0.27 1.61 1.01 -0.69 -4.92 116.67 118.75 2ky9 s ASP 69 Ca 0.00 1.91 -0.12 0.00 0.71 0.00 0.00 52.55 55.04 2ky9 s ASP 69 Cb 0.00 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 2ky9 s ASP 69 CO 0.00 -0.22 0.26 -1.58 0.21 0.00 0.00 175.17 173.84 2ky9 s GLN 70 N 0.22 3.99 0.36 8.23 2.00 -1.26 -1.97 119.66 131.22 2ky9 s GLN 70 Ca 0.51 -0.17 0.05 0.00 -2.00 0.00 0.00 55.36 53.74 2ky9 s GLN 70 Cb -0.26 -3.65 -0.07 0.00 0.80 0.00 0.00 33.01 29.83 2ky9 s GLN 70 CO 0.31 -0.20 0.04 0.14 -0.50 0.00 0.00 175.29 175.08 2ky9 s VAL 71 N 1.83 1.53 -0.02 1.34 -7.23 -0.08 -5.00 120.40 112.77 2ky9 s VAL 71 Ca 0.10 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.34 2ky9 s VAL 71 Cb -0.16 -2.88 -0.02 0.00 0.56 0.00 0.00 36.38 33.88 2ky9 s VAL 71 CO 0.10 -0.00 -0.21 -0.63 -0.31 0.00 0.00 175.10 174.05 2ky9 s ILE 72 N -3.05 2.52 -0.23 -0.62 -1.09 -1.26 -0.89 121.20 116.59 2ky9 s ILE 72 Ca 0.36 -1.01 -0.14 0.00 -2.23 0.00 0.00 60.65 57.63 2ky9 s ILE 72 Cb 0.09 -1.96 -0.04 0.00 -1.58 0.00 0.00 42.46 38.97 2ky9 s ILE 72 CO 0.17 0.53 0.32 -0.76 -1.23 0.00 0.00 174.94 173.97 2ky9 s LEU 73 N -0.83 4.12 -0.03 2.97 1.43 -0.86 -0.81 118.68 124.67 2ky9 s LEU 73 Ca 0.11 0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 53.53 2ky9 s LEU 73 Cb -0.10 -2.38 -0.27 0.00 0.03 0.00 0.00 46.19 43.47 2ky9 s LEU 73 CO 0.01 -0.05 0.73 -0.33 0.23 0.00 0.00 176.35 176.94 2ky9 h GLU 74 N 7.57 0.25 -7.21 1.70 5.08 -1.72 -1.39 114.58 118.86 2ky9 h GLU 74 Ca -0.36 -0.42 -0.45 0.00 -1.00 0.00 0.00 59.36 57.13 2ky9 h GLU 74 Cb 1.16 0.16 0.07 0.00 0.50 0.00 0.00 28.75 30.64 2ky9 h GLU 74 CO 0.68 1.09 0.18 0.00 -1.00 0.00 0.00 179.01 179.97 2ky9 s ALA 75 N -2.60 3.30 -0.06 3.43 0.00 -1.20 -4.74 121.76 119.88 2ky9 s ALA 75 Ca -0.12 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 50.85 2ky9 s ALA 75 Cb 0.07 -2.51 0.04 0.00 0.00 0.00 0.00 23.12 20.71 2ky9 s ALA 75 CO 0.84 -1.16 0.12 0.45 0.00 0.00 0.00 175.76 176.01 2ky9 s SER 76 N -4.48 0.29 -0.09 0.00 0.15 -1.26 -3.35 113.70 104.95 2ky9 s SER 76 Ca 0.59 0.25 0.17 0.00 0.70 0.00 0.00 55.95 57.66 2ky9 s SER 76 Cb -0.11 0.14 -0.23 0.00 -1.71 0.00 0.00 66.02 64.12 2ky9 s SER 76 CO 0.44 -0.18 0.40 1.41 1.20 0.00 0.00 173.24 176.51 2ky9 n HIS 77 N 4.64 0.43 -4.41 3.44 8.25 -1.26 -4.95 115.22 121.36 2ky9 n HIS 77 Ca -0.18 0.15 -0.22 0.00 -0.26 0.00 0.00 57.72 57.21 2ky9 n HIS 77 Cb 0.51 -1.01 -0.08 0.00 1.12 0.00 0.00 29.99 30.53 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 -2.72 1.79 -0.43 -0.41 -1.94 -1.26 -5.09 119.30 109.25 2ky9 s MET 78 Ca -0.07 -2.06 -0.28 0.00 -1.71 0.00 0.00 55.69 51.57 2ky9 s MET 78 Cb 0.08 -0.27 -0.02 0.00 2.01 0.00 0.00 34.83 36.63 2ky9 s MET 78 CO 0.83 -0.50 1.85 -1.59 -0.01 0.00 0.00 175.02 175.61 2ky9 s LYS 79 N -3.69 3.04 0.00 2.03 -2.85 -1.26 -2.81 119.74 114.20 2ky9 s LYS 79 Ca 0.31 1.18 0.00 0.00 -1.00 0.00 0.00 55.97 56.46 2ky9 s LYS 79 Cb 0.03 -4.28 0.00 0.00 -2.06 0.00 0.00 37.83 31.52 2ky9 s LYS 79 CO 0.18 -2.21 0.00 0.41 0.10 0.00 0.00 175.35 173.83 2ky9 n GLY 80 N 5.54 0.80 0.13 0.59 0.00 -1.26 -4.33 105.19 106.66 2ky9 n GLY 80 Ca 0.23 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 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 0.36 -6.41 1.61 -1.53 -1.85 -0.94 114.93 106.16 2ky9 h MET 81 Ca 0.00 -0.61 -0.54 0.00 -3.44 0.00 0.00 59.70 55.11 2ky9 h MET 81 Cb 0.16 0.23 0.01 0.00 -0.55 0.00 0.00 31.60 31.45 2ky9 h MET 81 CO 0.00 1.26 0.94 0.21 0.14 0.00 0.00 176.91 179.46 2ky9 s LYS 82 N -2.59 4.23 0.00 0.39 2.20 -1.21 -2.61 119.74 120.14 2ky9 s LYS 82 Ca -0.14 2.19 0.00 0.00 -0.36 0.00 0.00 55.97 57.66 2ky9 s LYS 82 Cb 0.06 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 2ky9 s LYS 82 CO 0.86 -0.68 0.00 0.41 -0.36 0.00 0.00 175.35 175.57 2ky9 n GLY 83 N 3.87 0.85 3.85 5.54 0.00 -0.52 -4.95 105.19 113.83 2ky9 n GLY 83 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.39 3.22 -0.30 4.61 0.00 -1.07 -4.88 121.76 119.94 2ky9 s ALA 84 Ca 0.00 0.11 -0.19 0.00 0.00 0.00 0.00 51.96 51.88 2ky9 s ALA 84 Cb 0.00 -2.90 -0.01 0.00 0.00 0.00 0.00 23.12 20.20 2ky9 s ALA 84 CO 0.00 0.14 0.55 0.99 0.00 0.00 0.00 175.76 177.44 2ky9 s THR 85 N -2.20 5.01 0.09 0.00 2.01 -1.26 -2.02 115.64 117.27 2ky9 s THR 85 Ca 0.56 0.72 0.03 0.00 0.31 0.00 0.00 61.69 63.32 2ky9 s THR 85 Cb -0.10 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 2ky9 s THR 85 CO 0.21 -0.07 0.08 0.00 -0.69 0.00 0.00 174.62 174.15 2ky9 s ALA 86 N 2.43 3.55 -0.20 7.40 0.00 -0.07 -4.38 121.76 130.49 2ky9 s ALA 86 Ca 0.22 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 2ky9 s ALA 86 Cb -0.15 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.56 2ky9 s ALA 86 CO 0.11 0.71 -0.10 -2.00 0.00 0.00 0.00 175.76 174.48 2ky9 s GLU 87 N -2.50 3.25 -0.36 0.00 2.56 0.26 -0.91 118.70 121.01 2ky9 s GLU 87 Ca 0.29 -0.70 -0.28 0.00 0.00 0.00 0.00 54.97 54.28 2ky9 s GLU 87 Cb -0.12 -2.82 -0.02 0.00 2.00 0.00 0.00 34.13 33.17 2ky9 s GLU 87 CO 0.22 -0.16 1.76 0.42 -0.56 0.00 0.00 175.26 176.94 2ky9 s ILE 88 N 1.30 3.52 0.02 -3.70 -1.09 -0.83 -1.00 121.20 119.41 2ky9 s ILE 88 Ca 0.04 0.51 -0.07 0.00 -2.23 0.00 0.00 60.65 58.90 2ky9 s ILE 88 Cb -0.14 -3.72 -0.30 0.00 -1.58 0.00 0.00 42.46 36.71 2ky9 s ILE 88 CO -0.05 -0.48 0.92 0.44 -1.23 0.00 0.00 174.94 174.54 2ky9 h ASP 89 N 12.75 0.53 -4.78 3.58 3.32 -1.39 -2.21 116.42 128.23 2ky9 h ASP 89 Ca -0.32 -0.66 0.00 0.00 0.02 0.00 0.00 57.03 56.06 2ky9 h ASP 89 Cb 1.16 -0.17 -0.18 0.00 0.22 0.00 0.00 39.33 40.36 2ky9 h ASP 89 CO 1.05 1.54 0.31 -0.55 -1.72 0.00 0.00 179.24 179.87 2ky9 s SER 90 N -7.20 -0.54 -0.09 6.45 0.15 -1.08 -4.64 113.70 106.74 2ky9 s SER 90 Ca -0.09 0.38 0.03 0.00 0.70 0.00 0.00 55.95 56.97 2ky9 s SER 90 Cb 0.06 0.48 -0.01 0.00 -1.71 0.00 0.00 66.02 64.84 2ky9 s SER 90 CO 0.88 -0.65 -0.19 0.00 1.20 0.00 0.00 173.24 174.49 2ky9 s ALA 91 N -2.08 2.41 -0.06 5.45 0.00 -1.26 -1.92 121.76 124.30 2ky9 s ALA 91 Ca -0.04 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 50.99 2ky9 s ALA 91 Cb -0.00 -0.96 0.01 0.00 0.00 0.00 0.00 23.12 22.17 2ky9 s ALA 91 CO -0.00 0.34 -0.12 -1.21 0.00 0.00 0.00 175.76 174.77 2ky9 s GLU 92 N 0.08 1.58 -0.80 0.00 0.41 -0.53 -5.02 118.70 114.41 2ky9 s GLU 92 Ca -0.08 -0.40 -0.18 0.00 -0.41 0.00 0.00 54.97 53.90 2ky9 s GLU 92 Cb -0.15 -1.33 0.14 0.00 -1.78 0.00 0.00 34.13 31.01 2ky9 s GLU 92 CO 0.05 0.04 0.93 0.15 -0.49 0.00 0.00 175.26 175.95 2ky9 s LYS 93 N 0.59 3.43 0.05 1.61 -0.14 -1.26 -1.40 119.74 122.61 2ky9 s LYS 93 Ca -0.13 -1.73 0.01 0.00 -1.36 0.00 0.00 55.97 52.76 2ky9 s LYS 93 Cb -0.15 -4.60 -0.03 0.00 -1.68 0.00 0.00 37.83 31.38 2ky9 s LYS 93 CO 0.03 -1.62 -0.05 -0.08 -0.76 0.00 0.00 175.35 172.87 2ky9 s THR 94 N 2.25 0.35 -0.17 2.17 -1.32 -1.24 -5.03 115.64 112.66 2ky9 s THR 94 Ca 0.23 -1.35 -0.22 0.00 -1.21 0.00 0.00 61.69 59.14 2ky9 s THR 94 Cb -0.12 -0.91 -0.03 0.00 -1.51 0.00 0.00 72.50 69.94 2ky9 s THR 94 CO -0.04 -0.66 0.66 -0.89 -2.21 0.00 0.00 174.62 171.48 2ky9 s THR 95 N -2.43 5.01 -0.13 5.08 2.01 -1.26 -3.93 115.64 119.99 2ky9 s THR 95 Ca -0.04 1.27 -0.02 0.00 0.31 0.00 0.00 61.69 63.21 2ky9 s THR 95 Cb -0.03 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 2ky9 s THR 95 CO -0.04 0.12 -0.06 0.68 -0.69 0.00 0.00 174.62 174.64 2ky9 s VAL 96 N 1.76 3.74 -0.06 3.82 -7.23 -0.41 -3.38 120.40 118.64 2ky9 s VAL 96 Ca 0.31 -0.42 -0.02 0.00 -1.81 0.00 0.00 61.98 60.04 2ky9 s VAL 96 Cb -0.16 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 2ky9 s VAL 96 CO 0.11 0.52 0.03 -0.31 -0.31 0.00 0.00 175.10 175.15 2ky9 s TYR 97 N 0.12 3.23 -0.34 2.82 2.02 0.50 -1.09 117.35 124.61 2ky9 s TYR 97 Ca -0.02 0.22 -0.18 0.00 -0.37 0.00 0.00 57.07 56.72 2ky9 s TYR 97 Cb -0.14 -1.78 -0.01 0.00 -0.40 0.00 0.00 41.96 39.63 2ky9 s TYR 97 CO 0.03 0.52 0.51 1.41 -1.57 0.00 0.00 175.55 176.44 2ky9 s MET 98 N -1.16 3.69 0.30 -0.62 -2.45 -0.82 -3.67 119.30 114.57 2ky9 s MET 98 Ca 0.16 -0.10 0.06 0.00 -1.25 0.00 0.00 55.69 54.56 2ky9 s MET 98 Cb -0.12 -3.78 -0.06 0.00 1.25 0.00 0.00 34.83 32.12 2ky9 s MET 98 CO 0.06 -0.59 -0.01 0.14 1.05 0.00 0.00 175.02 175.66 2ky9 s VAL 99 N 2.37 1.50 -0.05 10.11 -7.23 -1.17 -0.46 120.40 125.47 2ky9 s VAL 99 Ca 0.19 -2.07 0.01 0.00 -1.81 0.00 0.00 61.98 58.30 2ky9 s VAL 99 Cb -0.15 -2.60 0.02 0.00 0.56 0.00 0.00 36.38 34.21 2ky9 s VAL 99 CO 0.13 -0.18 -0.05 1.51 -0.31 0.00 0.00 175.10 176.19 2ky9 s ASP 100 N -3.47 1.08 0.30 4.85 -4.77 -0.94 -0.77 116.67 112.94 2ky9 s ASP 100 Ca 0.32 -0.15 0.04 0.00 -3.30 0.00 0.00 52.55 49.47 2ky9 s ASP 100 Cb 0.06 -0.50 -0.03 0.00 -1.09 0.00 0.00 42.92 41.36 2ky9 s ASP 100 CO 0.13 -0.05 0.21 -0.72 0.70 0.00 0.00 175.17 175.44 2ky9 s TYR 101 N 0.94 1.59 -0.09 2.11 1.13 -0.47 -1.37 117.35 121.19 2ky9 s TYR 101 Ca -0.11 -1.51 0.02 0.00 -1.41 0.00 0.00 57.07 54.06 2ky9 s TYR 101 Cb -0.14 -0.75 -0.02 0.00 -1.10 0.00 0.00 41.96 39.95 2ky9 s TYR 101 CO 0.00 -0.70 -0.14 0.99 -2.51 0.00 0.00 175.55 173.19 2ky9 s THR 102 N -3.62 3.01 -0.08 -3.49 2.01 -1.25 -1.26 115.64 110.95 2ky9 s THR 102 Ca 0.38 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 61.38 2ky9 s THR 102 Cb 0.04 -2.22 -0.05 0.00 0.01 0.00 0.00 72.50 70.29 2ky9 s THR 102 CO 0.21 0.56 1.60 -0.55 -0.69 0.00 0.00 174.62 175.75 2ky9 s SER 103 N -0.14 6.68 0.39 3.53 0.15 -0.28 -4.57 113.70 119.45 2ky9 s SER 103 Ca -0.01 2.11 0.20 0.00 0.70 0.00 0.00 55.95 58.95 2ky9 s SER 103 Cb -0.14 -2.53 0.78 0.00 -1.71 0.00 0.00 66.02 62.42 2ky9 s SER 103 CO 0.03 -0.94 1.78 0.71 1.20 0.00 0.00 173.24 176.03 2ky9 h THR 104 N 5.62 0.85 0.00 6.45 1.35 -1.49 -0.03 112.91 125.67 2ky9 h THR 104 Ca -0.37 -1.37 -0.01 0.00 -0.55 0.00 0.00 66.41 64.11 2ky9 h THR 104 Cb 1.17 1.84 -0.00 0.00 -1.73 0.00 0.00 68.15 69.42 2ky9 h THR 104 CO 0.96 0.33 -0.12 0.71 -0.25 0.00 0.00 175.52 177.15 2ky9 h THR 105 N 0.00 0.56 0.00 6.82 1.35 -1.80 -3.44 112.91 116.39 2ky9 h THR 105 Ca -0.00 -1.44 -0.26 0.00 -0.55 0.00 0.00 66.41 64.15 2ky9 h THR 105 Cb 0.81 1.08 -0.04 0.00 -1.73 0.00 0.00 68.15 68.27 2ky9 h THR 105 CO 0.04 0.19 -1.47 -0.24 -0.25 0.00 0.00 175.52 173.80 2ky9 n SER 106 N -4.70 1.88 0.00 5.36 2.88 -1.25 -5.02 113.62 112.77 2ky9 n SER 106 Ca -0.05 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 2ky9 n SER 106 Cb 0.20 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 2ky9 n SER 106 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ky9 n GLY 107 N 1.41 1.97 3.54 0.46 0.00 -0.02 -5.02 105.19 107.52 2ky9 n GLY 107 Ca -0.34 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.16 2ky9 n GLY 107 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ky9 n GLU 108 N -0.56 1.29 -2.69 1.61 4.07 -1.26 -4.28 120.64 118.83 2ky9 n GLU 108 Ca 0.00 0.40 -0.43 0.00 -0.06 0.00 0.00 57.16 57.08 2ky9 n GLU 108 Cb 0.00 -2.44 -0.02 0.00 -0.06 0.00 0.00 31.44 28.91 2ky9 n GLU 108 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2ky9 s LYS 109 N 5.39 4.27 -0.20 5.31 1.02 -1.26 -1.13 119.74 133.14 2ky9 s LYS 109 Ca 1.05 1.32 -0.04 0.00 0.02 0.00 0.00 55.97 58.32 2ky9 s LYS 109 Cb -0.86 -3.63 -0.01 0.00 -0.52 0.00 0.00 37.83 32.81 2ky9 s LYS 109 CO 0.52 -0.58 -0.04 0.08 -0.92 0.00 0.00 175.35 174.41 2ky9 s VAL 110 N 3.02 3.52 0.17 3.17 1.01 -0.39 -5.00 120.40 125.90 2ky9 s VAL 110 Ca 0.44 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 62.04 2ky9 s VAL 110 Cb -0.15 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2ky9 s VAL 110 CO 0.08 0.44 -0.08 -0.54 0.00 0.00 0.00 175.10 175.00 2ky9 s LYS 111 N 1.13 2.14 -1.51 2.72 1.02 -1.26 -1.37 119.74 122.61 2ky9 s LYS 111 Ca 0.02 -1.19 0.00 0.00 0.02 0.00 0.00 55.97 54.81 2ky9 s LYS 111 Cb -0.15 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 34.94 2ky9 s LYS 111 CO -0.00 0.45 0.00 0.09 -0.92 0.00 0.00 175.35 174.97 2ky9 n ASN 112 N 0.11 -5.02 -4.77 2.83 3.02 -1.04 -4.92 115.26 105.47 2ky9 n ASN 112 Ca -0.11 0.10 -0.41 0.00 -0.03 0.00 0.00 54.58 54.13 2ky9 n ASN 112 Cb 0.55 -4.23 -0.00 0.00 -0.61 0.00 0.00 39.78 35.48 2ky9 n ASN 112 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2ky9 n HIS 113 N -3.61 2.91 -3.80 3.10 -0.00 0.05 -4.72 115.22 109.15 2ky9 n HIS 113 Ca -0.20 0.45 -0.13 0.00 -0.00 0.00 0.00 57.72 57.83 2ky9 n HIS 113 Cb 0.65 -2.52 -0.14 0.00 -0.00 0.00 0.00 29.99 27.97 2ky9 n HIS 113 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2ky9 s LYS 114 N -1.98 0.06 0.01 1.57 1.02 -1.26 -3.04 119.74 116.12 2ky9 s LYS 114 Ca 0.54 0.20 0.05 0.00 0.02 0.00 0.00 55.97 56.78 2ky9 s LYS 114 Cb -0.49 -0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 36.71 2ky9 s LYS 114 CO 0.63 -0.09 -0.14 -1.58 -0.92 0.00 0.00 175.35 173.25 2ky9 s TRP 115 N 0.58 2.67 0.01 3.18 0.52 -1.26 -4.98 118.94 119.66 2ky9 s TRP 115 Ca -0.04 -0.18 0.04 0.00 0.02 0.00 0.00 56.10 55.93 2ky9 s TRP 115 Cb -0.06 -1.54 -0.01 0.00 -1.15 0.00 0.00 33.47 30.70 2ky9 s TRP 115 CO -0.02 0.26 -0.13 0.14 0.02 0.00 0.00 176.95 177.22 2ky9 s VAL 116 N -0.89 1.00 0.47 4.03 -7.23 -1.24 -4.12 120.40 112.42 2ky9 s VAL 116 Ca 0.14 -0.67 0.08 0.00 -1.81 0.00 0.00 61.98 59.72 2ky9 s VAL 116 Cb -0.11 -0.86 0.08 0.00 0.56 0.00 0.00 36.38 36.05 2ky9 s VAL 116 CO 0.05 0.18 0.64 0.35 -0.31 0.00 0.00 175.10 176.00 2ky9 n THR 117 N 2.50 0.00 0.10 5.32 -2.24 -1.26 -0.37 114.28 118.33 2ky9 n THR 117 Ca -0.15 -1.60 0.17 0.00 -2.27 0.00 0.00 64.05 60.20 2ky9 n THR 117 Cb 0.55 -0.57 0.72 0.00 -2.10 0.00 0.00 70.33 68.94 2ky9 n THR 117 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2ky9 h GLU 118 N 0.00 0.00 0.00 -0.78 4.57 -1.88 -2.09 114.58 114.40 2ky9 h GLU 118 Ca -0.23 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 57.82 2ky9 h GLU 118 Cb 1.02 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.59 2ky9 h GLU 118 CO 0.32 0.00 -0.64 0.22 -1.18 0.00 0.00 179.01 177.74 2ky9 h ASP 119 N 0.00 0.00 0.56 1.04 3.58 -1.94 -3.18 116.42 116.48 2ky9 h ASP 119 Ca 0.16 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2ky9 h ASP 119 Cb 0.72 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2ky9 h ASP 119 CO -0.00 0.64 -0.36 -0.62 -2.88 0.00 0.00 179.24 176.02 2ky9 n GLU 120 N -3.56 0.12 -4.83 0.28 4.71 -0.81 -4.54 120.64 112.01 2ky9 n GLU 120 Ca -0.00 -0.06 -0.31 0.00 -0.01 0.00 0.00 57.16 56.78 2ky9 n GLU 120 Cb 0.68 -1.50 -0.17 0.00 -1.01 0.00 0.00 31.44 29.45 2ky9 n GLU 120 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2ky9 s LEU 121 N -2.92 2.01 -0.08 -4.62 1.43 -1.09 -1.73 118.68 111.67 2ky9 s LEU 121 Ca 0.14 -0.54 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 2ky9 s LEU 121 Cb 0.18 -1.33 -0.01 0.00 0.03 0.00 0.00 46.19 45.06 2ky9 s LEU 121 CO 0.64 0.10 -0.23 -0.44 0.23 0.00 0.00 176.35 176.65 2ky9 s SER 122 N 0.66 3.25 0.75 2.29 0.01 -0.28 -4.85 113.70 115.53 2ky9 s SER 122 Ca -0.12 -0.49 -0.14 0.00 1.31 0.00 0.00 55.95 56.52 2ky9 s SER 122 Cb -0.16 -1.13 0.05 0.00 0.21 0.00 0.00 66.02 64.98 2ky9 s SER 122 CO 0.03 0.21 1.17 0.00 0.41 0.00 0.00 173.24 175.05 2ky9 s ALA 123 N 0.04 2.10 -0.72 1.44 0.00 -1.26 -0.22 121.76 123.14 2ky9 s ALA 123 Ca -0.09 0.71 -0.26 0.00 0.00 0.00 0.00 51.96 52.32 2ky9 s ALA 123 Cb -0.15 -3.42 -0.10 0.00 0.00 0.00 0.00 23.12 19.45 2ky9 s ALA 123 CO 0.06 -1.88 2.29 0.21 0.00 0.00 0.00 175.76 176.44 2ky9 s LYS 124 N -4.16 1.95 -0.04 0.00 2.47 -1.20 -4.58 119.74 114.19 2ky9 s LYS 124 Ca 0.70 0.60 0.03 0.00 -1.56 0.00 0.00 55.97 55.74 2ky9 s LYS 124 Cb -0.25 -4.75 0.01 0.00 -1.46 0.00 0.00 37.83 31.38 2ky9 s LYS 124 CO 0.47 -3.86 -0.11 -1.17 0.16 0.00 0.00 175.35 170.85 2ky9 s LEU 125 N 12.97 1.72 -0.67 5.43 2.96 -1.26 -5.08 118.68 134.75 2ky9 s LEU 125 Ca 0.88 -0.24 -0.27 0.00 -0.22 0.00 0.00 54.13 54.28 2ky9 s LEU 125 Cb -0.13 -0.69 0.03 0.00 0.50 0.00 0.00 46.19 45.90 2ky9 s LEU 125 CO 0.12 0.06 1.27 -1.61 -1.32 0.00 0.00 176.35 174.87 2ky9 s GLU 126 N 0.37 3.29 0.13 1.98 0.41 -1.26 -4.99 118.70 118.63 2ky9 s GLU 126 Ca -0.07 -0.02 0.03 0.00 -0.41 0.00 0.00 54.97 54.49 2ky9 s GLU 126 Cb -0.12 -4.13 -0.04 0.00 -1.78 0.00 0.00 34.13 28.06 2ky9 s GLU 126 CO 0.02 -2.00 -0.07 -1.01 -0.49 0.00 0.00 175.26 171.70 2ky9 s HIS 127 N 5.58 1.09 0.85 1.61 3.76 -1.26 -5.17 115.29 121.74 2ky9 s HIS 127 Ca 0.39 -0.86 -0.11 0.00 -0.15 0.00 0.00 55.06 54.33 2ky9 s HIS 127 Cb -0.08 -0.59 0.10 0.00 1.11 0.00 0.00 32.58 33.12 2ky9 s HIS 127 CO 0.19 -0.05 1.09 -3.38 -0.85 0.00 0.00 174.74 171.74 2ky9 s HIS 128 N -3.50 2.43 -0.24 1.40 -3.43 -1.26 -4.92 115.29 105.77 2ky9 s HIS 128 Ca 0.15 1.33 -0.31 0.00 -0.80 0.00 0.00 55.06 55.43 2ky9 s HIS 128 Cb 0.04 -3.13 -0.07 0.00 -1.43 0.00 0.00 32.58 27.99 2ky9 s HIS 128 CO -0.02 -2.18 2.19 0.72 -2.00 0.00 0.00 174.74 173.45 2ky9 n HIS 129 N -3.75 1.89 -2.18 0.38 -0.00 -1.26 -4.93 115.22 105.37 2ky9 n HIS 129 Ca 0.08 -0.01 -0.42 0.00 -0.00 0.00 0.00 57.72 57.37 2ky9 n HIS 129 Cb 0.55 -2.67 -0.03 0.00 -0.00 0.00 0.00 29.99 27.84 2ky9 n HIS 129 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ky9 s HIS 130 N 7.72 3.24 0.18 4.41 5.04 -1.26 -5.06 115.29 129.55 2ky9 s HIS 130 Ca 1.03 1.04 0.06 0.00 -1.54 0.00 0.00 55.06 55.65 2ky9 s HIS 130 Cb -0.51 -3.66 -0.05 0.00 0.04 0.00 0.00 32.58 28.40 2ky9 s HIS 130 CO 0.40 -2.23 -0.11 -3.38 -2.34 0.00 0.00 174.74 167.09 2ky9 s HIS 131 N 0.73 1.45 -2.00 3.88 -3.43 -1.26 -5.27 115.29 109.40 2ky9 s HIS 131 Ca 0.62 -0.71 0.10 0.00 -0.80 0.00 0.00 55.06 54.27 2ky9 s HIS 131 Cb -0.37 -0.73 0.62 0.00 -1.43 0.00 0.00 32.58 30.67 2ky9 s HIS 131 CO 0.33 0.17 1.06 -2.39 -2.00 0.00 0.00 174.74 171.91