#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h0x n ASN 10 N 0.00 -2.25 -4.38 4.04 6.94 -1.26 -5.00 115.26 113.34 1h0x n ASN 10 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 54.58 54.23 1h0x n ASN 10 Cb 0.00 -0.38 -0.14 0.00 -2.36 0.00 0.00 39.78 36.90 1h0x n ASN 10 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1h0x s VAL 11 N -2.46 3.21 -0.40 3.53 1.01 -1.26 -0.39 120.40 123.63 1h0x s VAL 11 Ca 0.00 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 1h0x s VAL 11 Cb 0.00 -2.37 0.08 0.00 0.00 0.00 0.00 36.38 34.09 1h0x s VAL 11 CO 0.00 0.51 0.22 -0.69 0.00 0.00 0.00 175.10 175.14 1h0x s VAL 12 N 0.50 3.92 -0.35 2.92 1.01 0.15 -4.96 120.40 123.60 1h0x s VAL 12 Ca -0.08 -1.51 -0.25 0.00 0.00 0.00 0.00 61.98 60.14 1h0x s VAL 12 Cb -0.15 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.81 1h0x s VAL 12 CO 0.04 -0.49 0.89 -0.22 0.00 0.00 0.00 175.10 175.31 1h0x s LEU 13 N 1.36 4.03 0.07 3.92 2.96 -1.26 -1.50 118.68 128.25 1h0x s LEU 13 Ca 0.03 0.62 -0.31 0.00 -0.22 0.00 0.00 54.13 54.25 1h0x s LEU 13 Cb -0.23 -3.21 -0.06 0.00 0.50 0.00 0.00 46.19 43.20 1h0x s LEU 13 CO 0.01 -0.78 1.20 -0.63 -1.32 0.00 0.00 176.35 174.83 1h0x s ILE 14 N 3.31 4.01 0.00 6.68 -1.09 0.28 -4.97 121.20 129.42 1h0x s ILE 14 Ca 0.36 1.45 0.00 0.00 -2.23 0.00 0.00 60.65 60.23 1h0x s ILE 14 Cb -0.13 -3.93 0.00 0.00 -1.58 0.00 0.00 42.46 36.83 1h0x s ILE 14 CO 0.16 0.12 0.00 0.61 -1.23 0.00 0.00 174.94 174.60 1h0x n GLY 15 N 3.19 5.27 0.17 6.18 0.00 -1.26 -4.77 105.19 113.98 1h0x n GLY 15 Ca 0.09 -1.48 0.12 0.00 0.00 0.00 0.00 46.02 44.75 1h0x n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h0x h LYS 16 N 0.00 0.00 -7.17 1.61 1.79 -2.02 -3.48 116.57 107.30 1h0x h LYS 16 Ca 0.00 0.00 -0.43 0.00 -2.18 0.00 0.00 60.65 58.04 1h0x h LYS 16 Cb 0.00 0.00 0.20 0.00 -1.58 0.00 0.00 32.23 30.85 1h0x h LYS 16 CO 0.00 0.00 0.02 0.15 -1.08 0.00 0.00 179.45 178.54 1h0x s LYS 17 N -3.23 -1.09 0.33 3.15 1.02 -1.26 -4.96 119.74 113.70 1h0x s LYS 17 Ca 0.06 0.64 -0.28 0.00 0.02 0.00 0.00 55.97 56.41 1h0x s LYS 17 Cb 0.08 -1.55 -0.09 0.00 -0.52 0.00 0.00 37.83 35.74 1h0x s LYS 17 CO 0.69 -3.79 1.15 -2.14 -0.92 0.00 0.00 175.35 170.35 1h0x s PRO 18 N -4.63 4.39 0.14 -1.68 0.02 -1.26 -4.92 135.00 127.06 1h0x s PRO 18 Ca 0.68 1.85 -0.12 0.00 0.02 0.00 0.00 61.00 63.44 1h0x s PRO 18 Cb -0.22 -2.97 0.12 0.00 0.02 0.00 0.00 34.50 31.45 1h0x s PRO 18 CO 0.63 -0.03 0.95 0.28 -0.33 0.00 0.00 177.00 178.50 1h0x n VAL 19 N 0.70 -0.34 -0.29 3.83 0.31 -1.26 -0.71 118.33 120.57 1h0x n VAL 19 Ca 0.01 1.45 0.11 0.00 -0.01 0.00 0.00 64.34 65.90 1h0x n VAL 19 Cb 0.45 -1.89 0.22 0.00 -0.91 0.00 0.00 33.84 31.71 1h0x n VAL 19 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1h0x n MET 20 N -4.88 -0.07 -0.26 5.55 0.00 -1.26 0.53 117.12 116.72 1h0x n MET 20 Ca 0.06 1.26 0.06 0.00 -0.00 0.00 0.00 57.70 59.07 1h0x n MET 20 Cb 0.23 -1.97 0.19 0.00 0.00 0.00 0.00 33.22 31.67 1h0x n MET 20 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 175.97 175.06 1h0x h ASN 21 N 0.00 0.26 0.19 6.12 2.35 -1.28 -0.10 115.58 123.12 1h0x h ASN 21 Ca 0.49 0.11 -0.30 0.00 -0.55 0.00 0.00 56.30 56.05 1h0x h ASN 21 Cb 0.96 0.10 0.03 0.00 0.05 0.00 0.00 38.32 39.46 1h0x h ASN 21 CO -0.80 0.09 -1.29 1.88 -1.65 0.00 0.00 177.43 175.67 1h0x h TYR 22 N 0.43 0.97 -0.49 1.19 -1.99 -0.07 -1.00 116.97 116.00 1h0x h TYR 22 Ca 0.42 -0.63 -0.05 0.00 2.00 0.00 0.00 58.73 60.47 1h0x h TYR 22 Cb 0.65 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 39.29 1h0x h TYR 22 CO -0.17 1.47 0.10 -0.39 -0.00 0.00 0.00 178.16 179.17 1h0x h VAL 23 N 0.24 1.22 -0.12 -2.88 -1.51 -1.07 0.17 116.25 112.29 1h0x h VAL 23 Ca -0.20 -0.81 -0.02 0.00 -1.23 0.00 0.00 66.70 64.45 1h0x h VAL 23 Cb 1.96 0.73 -0.00 0.00 -2.13 0.00 0.00 31.29 31.85 1h0x h VAL 23 CO 0.24 0.30 0.02 -0.07 -1.23 0.00 0.00 177.57 176.82 1h0x h LEU 24 N 0.73 0.20 -1.29 4.19 3.38 -1.01 0.25 115.31 121.76 1h0x h LEU 24 Ca 0.16 -0.27 0.07 0.00 0.09 0.00 0.00 57.88 57.93 1h0x h LEU 24 Cb 0.30 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1h0x h LEU 24 CO 0.00 0.41 0.52 0.00 0.09 0.00 0.00 178.44 179.47 1h0x h ALA 25 N 0.79 1.64 0.18 1.53 0.00 -0.69 0.24 119.26 122.95 1h0x h ALA 25 Ca 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1h0x h ALA 25 Cb 0.30 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1h0x h ALA 25 CO 0.00 0.24 -0.09 0.00 0.00 0.00 0.00 179.25 179.40 1h0x h ALA 26 N 1.57 -0.24 -0.85 0.00 0.00 -0.21 -2.83 119.26 116.70 1h0x h ALA 26 Ca 0.35 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1h0x h ALA 26 Cb 0.25 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1h0x h ALA 26 CO -0.12 -0.47 0.56 -0.07 0.00 0.00 0.00 179.25 179.15 1h0x h LEU 27 N -0.58 0.89 -0.25 0.00 3.38 0.03 -2.01 115.31 116.76 1h0x h LEU 27 Ca -0.02 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1h0x h LEU 27 Cb 0.43 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1h0x h LEU 27 CO 0.04 0.60 0.03 0.74 0.09 0.00 0.00 178.44 179.94 1h0x h THR 28 N 1.02 0.85 0.49 0.22 2.02 -0.46 0.49 112.91 117.55 1h0x h THR 28 Ca 0.35 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.46 1h0x h THR 28 Cb 0.08 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1h0x h THR 28 CO -0.11 0.02 -0.23 -0.07 0.37 0.00 0.00 175.52 175.50 1h0x h LEU 29 N 0.11 -0.56 0.14 2.58 3.38 -1.18 -2.99 115.31 116.80 1h0x h LEU 29 Ca 0.12 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1h0x h LEU 29 Cb 0.14 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1h0x h LEU 29 CO -0.18 -0.34 -0.34 -0.07 0.09 0.00 0.00 178.44 177.60 1h0x h LEU 30 N -0.73 -0.99 -3.87 1.67 3.38 -1.11 -1.57 115.31 112.10 1h0x h LEU 30 Ca -0.07 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1h0x h LEU 30 Cb 0.54 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1h0x h LEU 30 CO 0.11 -0.38 0.01 -3.20 0.09 0.00 0.00 178.44 175.08 1h0x n ASN 31 N -4.37 2.80 -0.50 -0.43 2.85 0.17 -2.08 115.26 113.70 1h0x n ASN 31 Ca -0.06 -1.85 -0.00 0.00 -0.11 0.00 0.00 54.58 52.56 1h0x n ASN 31 Cb 0.27 -0.66 -0.00 0.00 1.24 0.00 0.00 39.78 40.63 1h0x n ASN 31 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1h0x n GLN 32 N 2.13 0.00 0.00 1.20 7.27 -0.59 -4.87 117.38 122.52 1h0x n GLN 32 Ca 0.09 -0.08 0.00 0.00 0.07 0.00 0.00 57.00 57.08 1h0x n GLN 32 Cb 0.35 -0.04 0.00 0.00 2.41 0.00 0.00 30.24 32.96 1h0x n GLN 32 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1h0x n GLY 33 N 0.00 2.18 3.67 1.69 0.00 -0.88 -5.00 105.19 106.85 1h0x n GLY 33 Ca -0.00 -0.73 -0.65 0.00 0.00 0.00 0.00 46.02 44.64 1h0x n GLY 33 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1h0x n VAL 34 N 0.00 0.00 0.80 1.61 0.31 -1.22 -4.87 118.33 114.97 1h0x n VAL 34 Ca 0.00 -0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.44 1h0x n VAL 34 Cb 0.00 -0.35 -0.01 0.00 -0.91 0.00 0.00 33.84 32.57 1h0x n VAL 34 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1h0x n SER 35 N 3.21 0.72 -3.82 4.52 3.41 -1.26 -4.05 113.62 116.35 1h0x n SER 35 Ca 0.27 -0.56 -0.20 0.00 -0.26 0.00 0.00 58.87 58.12 1h0x n SER 35 Cb -0.01 0.88 -0.17 0.00 -0.26 0.00 0.00 64.21 64.65 1h0x n SER 35 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1h0x s GLU 36 N -3.09 0.58 0.12 4.33 2.12 -1.26 -1.57 118.70 119.92 1h0x s GLU 36 Ca 0.06 0.04 0.06 0.00 0.36 0.00 0.00 54.97 55.49 1h0x s GLU 36 Cb 0.16 -0.79 -0.04 0.00 0.26 0.00 0.00 34.13 33.72 1h0x s GLU 36 CO 0.82 -0.19 -0.14 0.96 -0.54 0.00 0.00 175.26 176.17 1h0x s ILE 37 N 1.40 1.29 -0.13 -3.70 -4.36 -0.42 -4.87 121.20 110.41 1h0x s ILE 37 Ca -0.04 -1.68 0.02 0.00 -0.26 0.00 0.00 60.65 58.69 1h0x s ILE 37 Cb -0.13 -1.48 0.01 0.00 1.25 0.00 0.00 42.46 42.11 1h0x s ILE 37 CO -0.03 -0.40 -0.19 -0.69 0.24 0.00 0.00 174.94 173.87 1h0x s VAL 38 N -2.07 1.82 -0.32 8.37 1.01 0.48 -0.91 120.40 128.77 1h0x s VAL 38 Ca 0.08 -0.83 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 1h0x s VAL 38 Cb -0.05 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 1h0x s VAL 38 CO 0.03 0.50 0.44 -0.63 0.00 0.00 0.00 175.10 175.44 1h0x s ILE 39 N 0.99 5.10 -0.02 2.22 1.09 0.40 -0.67 121.20 130.30 1h0x s ILE 39 Ca -0.05 0.34 0.04 0.00 -1.10 0.00 0.00 60.65 59.89 1h0x s ILE 39 Cb -0.15 -3.85 -0.03 0.00 -1.06 0.00 0.00 42.46 37.37 1h0x s ILE 39 CO -0.04 -0.07 -0.15 -0.54 -0.10 0.00 0.00 174.94 174.04 1h0x s LYS 40 N 2.20 2.40 0.26 2.79 1.02 -0.56 -1.27 119.74 126.57 1h0x s LYS 40 Ca 0.16 -0.77 -0.20 0.00 0.02 0.00 0.00 55.97 55.17 1h0x s LYS 40 Cb -0.16 -2.34 0.02 0.00 -0.52 0.00 0.00 37.83 34.84 1h0x s LYS 40 CO 0.12 0.60 0.68 0.00 -0.92 0.00 0.00 175.35 175.82 1h0x s ALA 41 N -0.81 -1.17 0.07 5.17 0.00 -1.01 -0.55 121.76 123.46 1h0x s ALA 41 Ca 0.13 -0.26 -0.08 0.00 0.00 0.00 0.00 51.96 51.75 1h0x s ALA 41 Cb -0.11 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.88 1h0x s ALA 41 CO 0.02 -0.98 0.16 -0.98 0.00 0.00 0.00 175.76 173.98 1h0x s ARG 42 N -3.91 0.76 4.35 0.00 1.70 -1.26 -1.22 118.95 119.37 1h0x s ARG 42 Ca 0.11 -0.90 0.00 0.00 -0.47 0.00 0.00 55.73 54.47 1h0x s ARG 42 Cb -0.05 0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.64 1h0x s ARG 42 CO 0.04 -0.22 0.00 0.41 -1.08 0.00 0.00 175.30 174.45 1h0x n GLY 43 N 0.21 1.39 0.33 3.88 0.00 -0.51 -2.32 105.19 108.17 1h0x n GLY 43 Ca -0.16 -0.56 0.19 0.00 0.00 0.00 0.00 46.02 45.49 1h0x n GLY 43 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1h0x h ARG 44 N 0.00 0.00 0.00 1.61 3.08 -1.99 -1.55 114.38 115.52 1h0x h ARG 44 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1h0x h ARG 44 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1h0x h ARG 44 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 1h0x h ALA 45 N 1.82 1.00 -0.99 0.04 0.00 -1.84 -2.91 119.26 116.38 1h0x h ALA 45 Ca 0.02 0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.11 1h0x h ALA 45 Cb 0.25 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.94 1h0x h ALA 45 CO -0.00 0.00 0.61 0.82 0.00 0.00 0.00 179.25 180.68 1h0x h ILE 46 N 0.00 0.73 -0.29 0.00 2.04 -1.40 -0.97 117.51 117.62 1h0x h ILE 46 Ca 0.00 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1h0x h ILE 46 Cb 0.18 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 1h0x h ILE 46 CO 0.00 0.13 0.09 0.28 0.00 0.00 0.00 178.15 178.66 1h0x h SER 47 N 0.73 0.43 -0.95 1.72 0.02 -1.76 -2.40 113.55 111.33 1h0x h SER 47 Ca 0.55 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1h0x h SER 47 Cb 0.89 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.28 1h0x h SER 47 CO -0.33 0.51 0.59 0.50 -1.14 0.00 0.00 176.83 176.97 1h0x h LYS 48 N 0.31 1.28 -0.63 3.45 3.64 -1.44 0.45 116.57 123.64 1h0x h LYS 48 Ca 0.09 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1h0x h LYS 48 Cb 0.24 -0.27 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 1h0x h LYS 48 CO -0.00 0.88 0.35 0.00 -2.27 0.00 0.00 179.45 178.41 1h0x h ALA 49 N 1.32 0.83 -0.27 5.00 0.00 -0.95 0.71 119.26 125.89 1h0x h ALA 49 Ca 0.34 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 1h0x h ALA 49 Cb -0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1h0x h ALA 49 CO -0.07 0.03 -0.02 0.28 0.00 0.00 0.00 179.25 179.47 1h0x h VAL 50 N 0.65 1.27 -0.40 0.00 2.07 -0.91 -2.07 116.25 116.87 1h0x h VAL 50 Ca 0.28 -0.98 0.07 0.00 0.82 0.00 0.00 66.70 66.89 1h0x h VAL 50 Cb 0.16 1.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 1h0x h VAL 50 CO -0.17 0.31 0.00 0.44 0.02 0.00 0.00 177.57 178.18 1h0x h ASP 51 N 0.27 -0.16 -0.10 0.57 3.32 0.23 -0.38 116.42 120.18 1h0x h ASP 51 Ca 0.07 0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.26 1h0x h ASP 51 Cb 0.47 0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.12 1h0x h ASP 51 CO 0.02 -0.04 -0.24 0.74 -1.72 0.00 0.00 179.24 177.99 1h0x h THR 52 N 0.11 0.42 -0.05 0.35 2.02 0.57 0.15 112.91 116.48 1h0x h THR 52 Ca 0.19 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.41 1h0x h THR 52 Cb 0.27 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 1h0x h THR 52 CO -0.32 0.00 -0.24 0.58 0.37 0.00 0.00 175.52 175.91 1h0x h VAL 53 N -0.32 0.45 -0.18 3.16 2.07 -0.63 -1.32 116.25 119.48 1h0x h VAL 53 Ca 0.09 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.64 1h0x h VAL 53 Cb 0.46 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1h0x h VAL 53 CO -0.29 0.00 -0.01 -0.33 0.02 0.00 0.00 177.57 176.96 1h0x h GLU 54 N -0.35 0.04 -0.60 1.57 4.39 -0.53 -0.76 114.58 118.35 1h0x h GLU 54 Ca 0.08 -0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.85 1h0x h GLU 54 Cb 0.45 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.03 1h0x h GLU 54 CO -0.24 0.02 0.27 0.82 -1.16 0.00 0.00 179.01 178.73 1h0x h ILE 55 N 0.04 0.87 0.85 3.13 2.04 -0.51 0.39 117.51 124.32 1h0x h ILE 55 Ca 0.08 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 1h0x h ILE 55 Cb 0.11 0.32 0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1h0x h ILE 55 CO -0.15 0.09 -0.42 0.58 0.00 0.00 0.00 178.15 178.25 1h0x h VAL 56 N 0.50 0.14 -0.43 1.67 2.07 -0.80 0.55 116.25 119.96 1h0x h VAL 56 Ca 0.28 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.76 1h0x h VAL 56 Cb 0.27 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1h0x h VAL 56 CO -0.24 0.00 0.08 0.08 0.02 0.00 0.00 177.57 177.51 1h0x h ARG 57 N -1.16 0.65 0.00 1.57 0.11 -0.88 -1.56 114.38 113.10 1h0x h ARG 57 Ca -0.12 -0.12 -0.21 0.00 0.10 0.00 0.00 59.98 59.63 1h0x h ARG 57 Cb 0.89 -0.10 -0.03 0.00 1.11 0.00 0.00 29.97 31.84 1h0x h ARG 57 CO 0.19 0.61 -1.29 0.09 0.10 0.00 0.00 179.97 179.66 1h0x n ASN 58 N -4.30 1.87 -0.04 0.08 5.03 0.14 -2.24 115.26 115.79 1h0x n ASN 58 Ca 0.03 0.45 0.13 0.00 0.87 0.00 0.00 54.58 56.06 1h0x n ASN 58 Cb 0.22 -0.91 0.39 0.00 -1.02 0.00 0.00 39.78 38.46 1h0x n ASN 58 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1h0x n ARG 59 N -4.44 0.19 0.00 3.52 1.74 0.17 -3.97 116.66 113.87 1h0x n ARG 59 Ca -0.29 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 56.70 1h0x n ARG 59 Cb 0.62 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 1h0x n ARG 59 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1h0x n PHE 60 N -1.33 0.00 -2.77 -1.55 3.01 -1.15 -4.89 117.46 108.78 1h0x n PHE 60 Ca 0.08 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.39 1h0x n PHE 60 Cb 0.33 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.81 1h0x n PHE 60 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1h0x n LEU 61 N -1.72 1.95 -4.64 4.37 4.77 -0.60 -5.05 117.00 116.08 1h0x n LEU 61 Ca 0.00 -4.33 -0.46 0.00 -0.03 0.00 0.00 56.01 51.19 1h0x n LEU 61 Cb 0.36 0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.73 1h0x n LEU 61 CO 0.00 1.87 0.89 -0.81 -1.33 0.00 0.00 177.39 178.00 1h0x n PRO 62 N -0.05 1.71 -1.09 3.23 -0.04 -0.95 -1.61 135.00 136.21 1h0x n PRO 62 Ca 0.18 0.61 -0.03 0.00 -0.04 0.00 0.00 63.50 64.22 1h0x n PRO 62 Cb 0.74 -2.19 -0.01 0.00 -0.04 0.00 0.00 33.50 31.99 1h0x n PRO 62 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1h0x n ASP 63 N 2.00 -5.55 -0.12 3.54 4.64 -1.26 -4.79 116.55 115.01 1h0x n ASP 63 Ca 0.12 0.07 0.01 0.00 -1.38 0.00 0.00 54.79 53.62 1h0x n ASP 63 Cb 0.29 -3.31 0.02 0.00 -1.04 0.00 0.00 41.12 37.09 1h0x n ASP 63 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1h0x n LYS 64 N 0.01 -0.01 -3.82 -0.67 5.02 -0.63 -4.85 118.16 113.21 1h0x n LYS 64 Ca -0.03 -0.83 -0.15 0.00 -2.02 0.00 0.00 58.31 55.28 1h0x n LYS 64 Cb 0.46 -1.06 -0.16 0.00 -0.02 0.00 0.00 35.03 34.26 1h0x n LYS 64 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1h0x s ILE 65 N -0.37 -0.01 0.21 -0.18 1.01 -1.24 0.10 121.20 120.72 1h0x s ILE 65 Ca 0.04 0.15 0.10 0.00 0.00 0.00 0.00 60.65 60.94 1h0x s ILE 65 Cb 0.03 -0.09 -0.05 0.00 0.01 0.00 0.00 42.46 42.36 1h0x s ILE 65 CO 0.04 0.08 -0.20 -1.83 0.00 0.00 0.00 174.94 173.02 1h0x s GLU 66 N 0.82 1.47 -0.21 2.79 -1.05 0.01 -4.79 118.70 117.74 1h0x s GLU 66 Ca -0.07 -1.57 -0.23 0.00 -0.15 0.00 0.00 54.97 52.95 1h0x s GLU 66 Cb -0.10 -1.59 -0.02 0.00 -0.44 0.00 0.00 34.13 31.99 1h0x s GLU 66 CO -0.02 0.32 0.73 0.42 0.95 0.00 0.00 175.26 177.66 1h0x s ILE 67 N -2.18 4.93 -0.13 1.83 1.01 -1.26 -1.29 121.20 124.10 1h0x s ILE 67 Ca 0.22 1.39 -0.21 0.00 0.00 0.00 0.00 60.65 62.06 1h0x s ILE 67 Cb -0.06 -4.04 -0.26 0.00 0.01 0.00 0.00 42.46 38.12 1h0x s ILE 67 CO 0.10 0.02 0.57 0.50 0.00 0.00 0.00 174.94 176.14 1h0x h LYS 68 N 7.57 0.15 -2.05 2.79 3.64 -0.24 -3.48 116.57 124.95 1h0x h LYS 68 Ca -0.28 -0.25 -0.05 0.00 -1.27 0.00 0.00 60.65 58.80 1h0x h LYS 68 Cb 1.12 0.09 -0.20 0.00 -0.41 0.00 0.00 32.23 32.83 1h0x h LYS 68 CO 0.82 1.12 0.13 -2.00 -2.27 0.00 0.00 179.45 177.25 1h0x s GLU 69 N -2.39 0.91 -0.03 1.90 2.12 -1.09 -5.00 118.70 115.12 1h0x s GLU 69 Ca -0.21 0.67 0.07 0.00 0.36 0.00 0.00 54.97 55.86 1h0x s GLU 69 Cb 0.03 0.44 -0.02 0.00 0.26 0.00 0.00 34.13 34.84 1h0x s GLU 69 CO 0.72 -0.19 -0.23 0.42 -0.54 0.00 0.00 175.26 175.44 1h0x s ILE 70 N -0.28 1.88 -0.08 -3.70 1.01 -1.26 -0.16 121.20 118.60 1h0x s ILE 70 Ca -0.05 -1.00 -0.03 0.00 0.00 0.00 0.00 60.65 59.57 1h0x s ILE 70 Cb -0.03 -1.57 0.05 0.00 0.01 0.00 0.00 42.46 40.92 1h0x s ILE 70 CO 0.05 0.53 0.17 -0.60 0.00 0.00 0.00 174.94 175.08 1h0x s ARG 71 N -0.41 0.06 0.14 2.79 3.52 0.62 -4.96 118.95 120.72 1h0x s ARG 71 Ca 0.05 0.54 0.07 0.00 -0.13 0.00 0.00 55.73 56.25 1h0x s ARG 71 Cb -0.10 -0.23 -0.04 0.00 -1.56 0.00 0.00 34.95 33.02 1h0x s ARG 71 CO 0.00 -0.27 -0.02 0.14 -0.81 0.00 0.00 175.30 174.34 1h0x s VAL 72 N 2.02 3.71 0.00 7.11 -7.23 -1.26 0.54 120.40 125.28 1h0x s VAL 72 Ca -0.00 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 1h0x s VAL 72 Cb -0.12 -2.82 0.00 0.00 0.56 0.00 0.00 36.38 34.00 1h0x s VAL 72 CO -0.06 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 1h0x n GLY 73 N 0.17 2.77 2.92 2.32 0.00 -0.45 -4.96 105.19 107.97 1h0x n GLY 73 Ca -0.11 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 1h0x n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h0x s SER 74 N 2.00 -0.05 -0.08 1.61 0.01 -1.26 -1.49 113.70 114.45 1h0x s SER 74 Ca 0.00 0.11 0.05 0.00 1.31 0.00 0.00 55.95 57.42 1h0x s SER 74 Cb 0.00 0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.32 1h0x s SER 74 CO 0.00 -0.03 -0.23 -1.58 0.41 0.00 0.00 173.24 171.81 1h0x s GLN 75 N 0.13 2.77 0.25 12.44 2.00 -0.31 -4.94 119.66 132.01 1h0x s GLN 75 Ca -0.01 -0.87 -0.30 0.00 -2.00 0.00 0.00 55.36 52.19 1h0x s GLN 75 Cb -0.02 -2.26 -0.09 0.00 0.80 0.00 0.00 33.01 31.45 1h0x s GLN 75 CO -0.00 0.32 1.04 0.08 -0.50 0.00 0.00 175.29 176.23 1h0x s VAL 76 N -0.00 3.75 0.01 1.34 1.01 -1.26 -1.43 120.40 123.81 1h0x s VAL 76 Ca -0.08 1.72 0.04 0.00 0.00 0.00 0.00 61.98 63.67 1h0x s VAL 76 Cb -0.15 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 1h0x s VAL 76 CO 0.05 0.40 -0.13 -0.69 0.00 0.00 0.00 175.10 174.73 1h0x s VAL 77 N -1.03 1.04 -0.12 2.92 1.01 0.62 -4.95 120.40 119.90 1h0x s VAL 77 Ca 0.44 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1h0x s VAL 77 Cb -0.29 -0.90 -0.00 0.00 0.00 0.00 0.00 36.38 35.18 1h0x s VAL 77 CO 0.37 0.18 -0.21 -0.89 0.00 0.00 0.00 175.10 174.55 1h0x s THR 78 N -0.50 2.28 0.75 3.92 2.01 -1.26 -1.46 115.64 121.38 1h0x s THR 78 Ca 0.04 -0.93 -0.05 0.00 0.31 0.00 0.00 61.69 61.05 1h0x s THR 78 Cb -0.06 -1.90 0.12 0.00 0.01 0.00 0.00 72.50 70.66 1h0x s THR 78 CO 0.00 0.55 1.05 -0.94 -0.69 0.00 0.00 174.62 174.59 1h0x s SER 79 N 0.47 4.29 0.26 3.53 1.04 -0.63 -4.92 113.70 117.73 1h0x s SER 79 Ca -0.14 0.02 -0.03 0.00 0.48 0.00 0.00 55.95 56.28 1h0x s SER 79 Cb -0.17 -0.44 0.42 0.00 0.10 0.00 0.00 66.02 65.92 1h0x s SER 79 CO 0.06 -1.91 1.84 1.56 0.98 0.00 0.00 173.24 175.77 1h0x h GLN 80 N -0.73 0.95 -0.00 4.02 4.20 -2.01 0.72 115.11 122.27 1h0x h GLN 80 Ca -0.41 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1h0x h GLN 80 Cb 1.28 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.84 1h0x h GLN 80 CO 0.46 0.63 0.00 -0.40 -0.67 0.00 0.00 178.83 178.85 1h0x n ASP 81 N -4.63 0.01 0.00 1.46 5.75 -1.26 -4.89 116.55 113.00 1h0x n ASP 81 Ca 0.15 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 53.15 1h0x n ASP 81 Cb 0.25 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 1h0x n ASP 81 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h0x n GLY 82 N 0.61 1.03 3.82 6.12 0.00 0.25 -5.04 105.19 111.98 1h0x n GLY 82 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1h0x n GLY 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h0x s ARG 83 N -0.12 4.08 0.25 1.61 0.52 -1.26 -4.70 118.95 119.34 1h0x s ARG 83 Ca 0.00 1.15 0.07 0.00 -0.52 0.00 0.00 55.73 56.42 1h0x s ARG 83 Cb 0.00 -2.15 -0.03 0.00 0.52 0.00 0.00 34.95 33.28 1h0x s ARG 83 CO 0.00 -0.16 0.25 -0.65 0.02 0.00 0.00 175.30 174.76 1h0x s GLN 84 N -3.33 3.05 0.17 3.54 -0.21 -1.26 -1.61 119.66 120.00 1h0x s GLN 84 Ca 0.63 -0.99 -0.11 0.00 0.02 0.00 0.00 55.36 54.90 1h0x s GLN 84 Cb -0.11 -2.64 0.04 0.00 1.00 0.00 0.00 33.01 31.30 1h0x s GLN 84 CO 0.17 0.39 0.57 -1.13 -2.12 0.00 0.00 175.29 173.17 1h0x n SER 85 N -1.25 -1.21 -4.06 5.90 3.41 -0.53 -4.99 113.62 110.88 1h0x n SER 85 Ca -0.08 -1.73 -0.12 0.00 -0.26 0.00 0.00 58.87 56.68 1h0x n SER 85 Cb 0.58 1.99 -0.11 0.00 -0.26 0.00 0.00 64.21 66.41 1h0x n SER 85 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1h0x s ARG 86 N -2.04 0.53 0.04 4.33 0.52 -1.26 -0.28 118.95 120.79 1h0x s ARG 86 Ca 0.12 -0.82 0.06 0.00 -0.52 0.00 0.00 55.73 54.57 1h0x s ARG 86 Cb -0.02 -0.19 -0.02 0.00 0.52 0.00 0.00 34.95 35.23 1h0x s ARG 86 CO 0.05 0.02 -0.17 0.14 0.02 0.00 0.00 175.30 175.35 1h0x s VAL 87 N -1.76 1.39 0.57 3.52 -7.23 -0.51 -4.93 120.40 111.44 1h0x s VAL 87 Ca -0.08 -1.07 -0.15 0.00 -1.81 0.00 0.00 61.98 58.87 1h0x s VAL 87 Cb -0.07 -1.23 -0.05 0.00 0.56 0.00 0.00 36.38 35.59 1h0x s VAL 87 CO -0.01 0.13 1.02 -0.44 -0.31 0.00 0.00 175.10 175.48 1h0x s SER 88 N -1.11 6.25 0.14 4.85 0.01 -1.26 -1.16 113.70 121.43 1h0x s SER 88 Ca 0.05 1.60 0.02 0.00 1.31 0.00 0.00 55.95 58.93 1h0x s SER 88 Cb -0.08 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 1h0x s SER 88 CO 0.01 -0.85 -0.04 0.42 0.41 0.00 0.00 173.24 173.20 1h0x s THR 89 N -2.72 0.73 -0.01 1.44 -4.23 -0.55 -1.42 115.64 108.87 1h0x s THR 89 Ca 0.59 -1.97 -0.09 0.00 -1.18 0.00 0.00 61.69 59.04 1h0x s THR 89 Cb -0.12 -1.91 0.01 0.00 1.34 0.00 0.00 72.50 71.82 1h0x s THR 89 CO 0.39 -0.67 0.19 -0.51 -0.54 0.00 0.00 174.62 173.48 1h0x s ILE 90 N -3.61 0.07 -0.12 2.99 2.07 -0.36 -1.34 121.20 120.89 1h0x s ILE 90 Ca 0.18 -0.54 -0.04 0.00 -1.41 0.00 0.00 60.65 58.85 1h0x s ILE 90 Cb 0.05 -0.46 0.05 0.00 0.13 0.00 0.00 42.46 42.23 1h0x s ILE 90 CO -0.00 -0.30 0.07 -1.61 -1.91 0.00 0.00 174.94 171.20 1h0x s GLU 91 N -1.15 0.06 -0.25 3.50 2.02 0.19 -2.40 118.70 120.66 1h0x s GLU 91 Ca -0.12 0.07 -0.02 0.00 0.02 0.00 0.00 54.97 54.91 1h0x s GLU 91 Cb -0.06 -1.35 0.02 0.00 0.10 0.00 0.00 34.13 32.83 1h0x s GLU 91 CO 0.02 -0.54 -0.05 0.42 0.02 0.00 0.00 175.26 175.14 1h0x s ILE 92 N 2.13 3.04 -0.27 -1.63 1.01 -0.40 -0.27 121.20 124.81 1h0x s ILE 92 Ca 0.03 -0.91 -0.12 0.00 0.00 0.00 0.00 60.65 59.65 1h0x s ILE 92 Cb -0.15 -2.52 -0.05 0.00 0.01 0.00 0.00 42.46 39.76 1h0x s ILE 92 CO -0.07 0.23 0.23 0.00 0.00 0.00 0.00 174.94 175.33 1h0x s ALA 93 N 1.36 3.55 0.18 9.38 0.00 0.77 -0.45 121.76 136.55 1h0x s ALA 93 Ca 0.01 -0.98 0.10 0.00 0.00 0.00 0.00 51.96 51.09 1h0x s ALA 93 Cb -0.16 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 1h0x s ALA 93 CO -0.04 -0.50 -0.22 0.96 0.00 0.00 0.00 175.76 175.97 1h0x s ILE 94 N 1.67 2.13 0.16 0.00 -4.36 -0.09 0.55 121.20 121.26 1h0x s ILE 94 Ca 0.09 -1.95 -0.09 0.00 -0.26 0.00 0.00 60.65 58.44 1h0x s ILE 94 Cb -0.15 -1.99 -0.01 0.00 1.25 0.00 0.00 42.46 41.56 1h0x s ILE 94 CO 0.10 -0.17 0.27 0.00 0.24 0.00 0.00 174.94 175.37 1h0x s ARG 95 N -2.64 1.13 -0.03 0.37 1.70 -0.42 -1.30 118.95 117.77 1h0x s ARG 95 Ca 0.18 -1.17 -0.30 0.00 -0.47 0.00 0.00 55.73 53.97 1h0x s ARG 95 Cb -0.07 0.37 -0.06 0.00 -0.57 0.00 0.00 34.95 34.62 1h0x s ARG 95 CO 0.08 -0.41 1.59 0.15 -1.08 0.00 0.00 175.30 175.64 1h0x s LYS 96 N -3.96 4.20 0.00 3.89 1.02 -0.61 -0.81 119.74 123.47 1h0x s LYS 96 Ca 0.17 2.15 0.00 0.00 0.02 0.00 0.00 55.97 58.31 1h0x s LYS 96 Cb 0.04 -3.84 0.00 0.00 -0.52 0.00 0.00 37.83 33.51 1h0x s LYS 96 CO -0.01 -0.77 0.35 1.17 -0.92 0.00 0.00 175.35 175.17