#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 0.00 -4.55 4.04 6.94 -1.26 -4.81 115.26 115.62 1h0x n ASN 10 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 54.58 54.22 1h0x n ASN 10 Cb 0.00 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.31 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 0.00 4.01 -0.31 3.53 1.01 -1.26 -0.92 120.40 126.47 1h0x s VAL 11 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 1h0x s VAL 11 Cb 0.00 -2.74 0.06 0.00 0.00 0.00 0.00 36.38 33.71 1h0x s VAL 11 CO 0.00 0.52 0.01 -0.69 0.00 0.00 0.00 175.10 174.95 1h0x s VAL 12 N -0.01 2.81 -0.26 2.92 1.01 0.30 -4.96 120.40 122.21 1h0x s VAL 12 Ca 0.02 -1.61 -0.21 0.00 0.00 0.00 0.00 61.98 60.18 1h0x s VAL 12 Cb -0.13 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 1h0x s VAL 12 CO 0.02 -0.21 0.67 -0.22 0.00 0.00 0.00 175.10 175.36 1h0x s LEU 13 N 1.18 4.08 -0.08 3.92 2.96 -1.26 -1.59 118.68 127.88 1h0x s LEU 13 Ca -0.03 0.72 -0.30 0.00 -0.22 0.00 0.00 54.13 54.30 1h0x s LEU 13 Cb -0.20 -2.91 -0.03 0.00 0.50 0.00 0.00 46.19 43.55 1h0x s LEU 13 CO -0.03 -0.42 1.19 -0.63 -1.32 0.00 0.00 176.35 175.15 1h0x s ILE 14 N 2.59 4.31 0.00 6.68 -1.09 -0.16 -4.98 121.20 128.55 1h0x s ILE 14 Ca 0.28 1.62 0.00 0.00 -2.23 0.00 0.00 60.65 60.32 1h0x s ILE 14 Cb -0.15 -4.04 0.00 0.00 -1.58 0.00 0.00 42.46 36.68 1h0x s ILE 14 CO 0.09 -0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.38 1h0x n GLY 15 N 3.39 5.48 0.17 6.18 0.00 -1.26 -4.77 105.19 114.38 1h0x n GLY 15 Ca 0.11 -1.89 0.14 0.00 0.00 0.00 0.00 46.02 44.38 1h0x n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1h0x n LYS 16 N 0.00 0.71 -1.32 1.61 3.00 -1.26 -4.92 118.16 115.99 1h0x n LYS 16 Ca 0.00 -0.34 -0.31 0.00 -0.00 0.00 0.00 58.31 57.67 1h0x n LYS 16 Cb 0.00 -1.49 0.09 0.00 0.00 0.00 0.00 35.03 33.63 1h0x n LYS 16 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1h0x s LYS 17 N -2.52 2.17 0.59 1.64 1.02 -1.26 -4.98 119.74 116.41 1h0x s LYS 17 Ca 0.26 1.04 -0.19 0.00 0.02 0.00 0.00 55.97 57.09 1h0x s LYS 17 Cb 0.20 -1.90 -0.04 0.00 -0.52 0.00 0.00 37.83 35.57 1h0x s LYS 17 CO 0.50 -1.66 1.10 -2.30 -0.92 0.00 0.00 175.35 172.07 1h0x n PRO 18 N -3.52 1.08 -0.24 -1.68 -0.02 -1.26 -4.90 135.00 124.46 1h0x n PRO 18 Ca 0.08 0.42 -0.12 0.00 -2.02 0.00 0.00 63.50 61.86 1h0x n PRO 18 Cb 0.54 -2.30 -0.09 0.00 -0.02 0.00 0.00 33.50 31.62 1h0x n PRO 18 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1h0x h VAL 19 N 0.69 0.00 -1.42 -1.45 2.07 -1.96 -1.28 116.25 112.90 1h0x h VAL 19 Ca -0.49 0.00 0.46 0.00 0.82 0.00 0.00 66.70 67.49 1h0x h VAL 19 Cb 1.35 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.01 1h0x h VAL 19 CO 0.52 0.00 0.95 0.80 0.02 0.00 0.00 177.57 179.87 1h0x n MET 20 N -5.16 -0.02 0.20 1.57 0.00 -1.26 0.06 117.12 112.51 1h0x n MET 20 Ca -0.01 1.09 -0.15 0.00 0.00 0.00 0.00 57.70 58.63 1h0x n MET 20 Cb 0.29 -2.25 -0.07 0.00 0.00 0.00 0.00 33.22 31.19 1h0x n MET 20 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 175.97 175.00 1h0x h ASN 21 N 0.00 -0.84 -0.35 6.12 -0.73 -1.57 0.80 115.58 119.01 1h0x h ASN 21 Ca 0.82 0.07 -0.14 0.00 1.87 0.00 0.00 56.30 58.92 1h0x h ASN 21 Cb 2.84 0.28 -0.01 0.00 0.27 0.00 0.00 38.32 41.70 1h0x h ASN 21 CO -0.30 -0.44 -0.30 1.88 -0.37 0.00 0.00 177.43 177.90 1h0x h TYR 22 N -0.65 1.02 -0.77 0.67 -1.99 -0.50 -1.67 116.97 113.08 1h0x h TYR 22 Ca -0.02 -0.27 0.05 0.00 2.00 0.00 0.00 58.73 60.49 1h0x h TYR 22 Cb 0.60 -0.23 -0.05 0.00 2.00 0.00 0.00 36.73 39.04 1h0x h TYR 22 CO -0.19 1.06 0.47 0.28 -0.00 0.00 0.00 178.16 179.78 1h0x h VAL 23 N 0.74 1.06 -0.05 -2.88 2.07 -1.17 0.14 116.25 116.16 1h0x h VAL 23 Ca 0.08 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1h0x h VAL 23 Cb 0.86 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1h0x h VAL 23 CO 0.08 0.16 0.02 0.25 0.02 0.00 0.00 177.57 178.10 1h0x h LEU 24 N 0.89 0.06 -0.71 2.57 6.46 -0.63 0.12 115.31 124.07 1h0x h LEU 24 Ca 0.32 -0.14 0.04 0.00 -0.12 0.00 0.00 57.88 57.99 1h0x h LEU 24 Cb 0.09 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 39.96 1h0x h LEU 24 CO -0.14 0.19 0.43 0.00 -0.62 0.00 0.00 178.44 178.29 1h0x h ALA 25 N 0.88 0.95 0.15 1.25 0.00 -0.71 0.99 119.26 122.78 1h0x h ALA 25 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1h0x h ALA 25 Cb 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1h0x h ALA 25 CO -0.00 0.17 -0.07 0.00 0.00 0.00 0.00 179.25 179.34 1h0x h ALA 26 N 1.33 -0.20 -0.51 0.00 0.00 -0.46 -2.64 119.26 116.78 1h0x h ALA 26 Ca 0.30 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1h0x h ALA 26 Cb 0.10 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1h0x h ALA 26 CO -0.14 -0.50 0.34 -0.07 0.00 0.00 0.00 179.25 178.88 1h0x h LEU 27 N -0.43 0.43 0.49 0.00 3.38 -0.50 -1.82 115.31 116.85 1h0x h LEU 27 Ca -0.02 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1h0x h LEU 27 Cb 0.34 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1h0x h LEU 27 CO 0.03 0.29 -0.27 0.74 0.09 0.00 0.00 178.44 179.32 1h0x h THR 28 N 0.49 0.00 -0.74 0.22 2.02 -0.57 0.32 112.91 114.65 1h0x h THR 28 Ca 0.22 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.54 1h0x h THR 28 Cb 0.24 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.51 1h0x h THR 28 CO -0.06 0.00 -0.22 -0.07 0.37 0.00 0.00 175.52 175.55 1h0x h LEU 29 N -0.70 -0.79 -0.38 2.58 3.38 -1.11 2.39 115.31 120.68 1h0x h LEU 29 Ca -0.07 0.23 0.03 0.00 0.09 0.00 0.00 57.88 58.16 1h0x h LEU 29 Cb 0.54 0.49 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 1h0x h LEU 29 CO 0.09 -0.26 0.18 -0.07 0.09 0.00 0.00 178.44 178.47 1h0x h LEU 30 N -0.02 0.25 -0.45 1.67 3.38 -1.12 -1.18 115.31 117.84 1h0x h LEU 30 Ca 0.34 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 58.17 1h0x h LEU 30 Cb 0.55 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1h0x h LEU 30 CO -0.77 0.18 -0.77 -1.13 0.09 0.00 0.00 178.44 176.04 1h0x h ASN 31 N 0.37 0.05 0.00 -0.43 -1.24 0.13 -3.06 115.58 111.41 1h0x h ASN 31 Ca 0.16 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.13 1h0x h ASN 31 Cb 0.09 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.12 1h0x h ASN 31 CO -0.13 0.80 0.00 1.67 -1.29 0.00 0.00 177.43 178.49 1h0x n GLN 32 N -3.65 0.72 0.00 6.67 7.27 0.79 -4.90 117.38 124.28 1h0x n GLN 32 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 1h0x n GLN 32 Cb 0.74 -1.37 0.00 0.00 2.41 0.00 0.00 30.24 32.02 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 0.39 3.16 3.55 1.69 0.00 -0.56 -4.96 105.19 108.46 1h0x n GLY 33 Ca 0.13 -1.03 -0.52 0.00 0.00 0.00 0.00 46.02 44.60 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 0.59 0.09 1.61 0.31 -0.56 -4.90 118.33 115.47 1h0x n VAL 34 Ca 0.00 -0.15 -0.21 0.00 -0.01 0.00 0.00 64.34 63.97 1h0x n VAL 34 Cb 0.00 -0.58 -0.15 0.00 -0.91 0.00 0.00 33.84 32.20 1h0x n VAL 34 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1h0x h SER 35 N 3.37 0.60 -3.35 4.52 4.64 -1.91 -3.38 113.55 118.04 1h0x h SER 35 Ca -0.45 -0.81 -0.40 0.00 -0.47 0.00 0.00 61.79 59.66 1h0x h SER 35 Cb 1.37 -0.20 -0.37 0.00 -0.31 0.00 0.00 62.40 62.90 1h0x h SER 35 CO 0.70 1.67 -0.76 -0.70 -0.87 0.00 0.00 176.83 176.87 1h0x s GLU 36 N -2.60 0.47 0.17 4.77 2.12 -1.26 -3.13 118.70 119.24 1h0x s GLU 36 Ca -0.12 0.11 0.09 0.00 0.36 0.00 0.00 54.97 55.41 1h0x s GLU 36 Cb 0.06 -0.77 -0.04 0.00 0.26 0.00 0.00 34.13 33.63 1h0x s GLU 36 CO 0.88 -0.23 -0.12 0.96 -0.54 0.00 0.00 175.26 176.20 1h0x s ILE 37 N 1.62 3.05 -0.17 -3.70 -4.36 -0.49 -4.91 121.20 112.24 1h0x s ILE 37 Ca -0.01 -1.66 0.01 0.00 -0.26 0.00 0.00 60.65 58.73 1h0x s ILE 37 Cb -0.13 -2.49 0.02 0.00 1.25 0.00 0.00 42.46 41.11 1h0x s ILE 37 CO -0.03 -0.07 -0.20 -0.69 0.24 0.00 0.00 174.94 174.18 1h0x s VAL 38 N -1.60 2.05 -0.24 8.37 1.01 -0.09 -1.53 120.40 128.36 1h0x s VAL 38 Ca 0.23 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 61.15 1h0x s VAL 38 Cb -0.09 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 1h0x s VAL 38 CO 0.14 0.54 0.23 -0.63 0.00 0.00 0.00 175.10 175.38 1h0x s ILE 39 N 1.19 5.30 0.11 2.22 1.09 0.39 -0.53 121.20 130.98 1h0x s ILE 39 Ca 0.03 0.30 0.10 0.00 -1.10 0.00 0.00 60.65 59.98 1h0x s ILE 39 Cb -0.14 -3.56 -0.04 0.00 -1.06 0.00 0.00 42.46 37.66 1h0x s ILE 39 CO -0.11 0.29 -0.26 -0.54 -0.10 0.00 0.00 174.94 174.22 1h0x s LYS 40 N 1.34 1.45 0.17 2.79 1.02 -0.62 -0.83 119.74 125.06 1h0x s LYS 40 Ca 0.10 -1.28 -0.20 0.00 0.02 0.00 0.00 55.97 54.60 1h0x s LYS 40 Cb -0.14 -1.87 0.05 0.00 -0.52 0.00 0.00 37.83 35.35 1h0x s LYS 40 CO 0.07 0.45 0.56 0.00 -0.92 0.00 0.00 175.35 175.51 1h0x s ALA 41 N -1.01 -1.31 0.02 5.17 0.00 -1.02 -0.99 121.76 122.61 1h0x s ALA 41 Ca 0.13 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.28 1h0x s ALA 41 Cb -0.10 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 1h0x s ALA 41 CO 0.05 -0.78 -0.04 -0.98 0.00 0.00 0.00 175.76 174.01 1h0x s ARG 42 N -3.80 0.35 7.09 0.00 1.70 -1.26 -1.91 118.95 121.11 1h0x s ARG 42 Ca 0.04 -0.57 0.00 0.00 -0.47 0.00 0.00 55.73 54.73 1h0x s ARG 42 Cb -0.01 -0.05 0.00 0.00 -0.57 0.00 0.00 34.95 34.32 1h0x s ARG 42 CO -0.09 -0.01 0.00 0.41 -1.08 0.00 0.00 175.30 174.53 1h0x n GLY 43 N 1.79 3.40 0.30 3.88 0.00 0.27 -2.58 105.19 112.25 1h0x n GLY 43 Ca -0.22 -0.16 0.16 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.42 114.38 114.67 1h0x h ARG 44 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 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 -0.13 0.00 -1.07 0.00 0.00 179.97 178.77 1h0x h ALA 45 N 1.99 1.16 -0.92 0.04 0.00 -1.87 -3.25 119.26 116.41 1h0x h ALA 45 Ca 0.00 -0.12 0.26 0.00 0.00 0.00 0.00 54.91 55.06 1h0x h ALA 45 Cb 0.01 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.63 1h0x h ALA 45 CO -0.00 0.16 0.21 0.82 0.00 0.00 0.00 179.25 180.44 1h0x h ILE 46 N 0.00 0.21 0.22 0.00 2.04 -1.59 0.14 117.51 118.53 1h0x h ILE 46 Ca -0.00 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.82 1h0x h ILE 46 Cb 0.44 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 1h0x h ILE 46 CO 0.02 0.03 -0.27 0.28 0.00 0.00 0.00 178.15 178.20 1h0x h SER 47 N 0.14 -0.74 -0.55 1.72 0.02 -1.82 -1.66 113.55 110.66 1h0x h SER 47 Ca 0.59 0.07 0.05 0.00 -0.84 0.00 0.00 61.79 61.66 1h0x h SER 47 Cb 1.25 0.26 -0.03 0.00 0.14 0.00 0.00 62.40 64.03 1h0x h SER 47 CO -0.73 -0.38 0.36 0.50 -1.14 0.00 0.00 176.83 175.44 1h0x h LYS 48 N -0.54 0.55 -0.14 3.45 3.64 -1.06 0.29 116.57 122.75 1h0x h LYS 48 Ca 0.00 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1h0x h LYS 48 Cb 0.52 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1h0x h LYS 48 CO -0.09 0.36 0.07 0.00 -2.27 0.00 0.00 179.45 177.52 1h0x h ALA 49 N 1.69 0.18 -0.60 5.00 0.00 -0.18 0.40 119.26 125.76 1h0x h ALA 49 Ca 0.23 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1h0x h ALA 49 Cb 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1h0x h ALA 49 CO -0.06 -0.26 0.09 0.28 0.00 0.00 0.00 179.25 179.29 1h0x h VAL 50 N 0.11 1.25 -0.61 0.00 2.07 -0.37 -1.81 116.25 116.90 1h0x h VAL 50 Ca 0.05 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1h0x h VAL 50 Cb 0.10 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1h0x h VAL 50 CO -0.01 0.37 0.34 0.44 0.02 0.00 0.00 177.57 178.73 1h0x h ASP 51 N 0.91 0.76 -0.34 0.57 3.32 0.06 -0.43 116.42 121.28 1h0x h ASP 51 Ca 0.18 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1h0x h ASP 51 Cb 0.41 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1h0x h ASP 51 CO 0.01 0.63 0.21 0.74 -1.72 0.00 0.00 179.24 179.11 1h0x h THR 52 N 0.83 1.11 0.29 0.35 2.02 0.15 0.23 112.91 117.89 1h0x h THR 52 Ca 0.22 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1h0x h THR 52 Cb 0.04 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1h0x h THR 52 CO -0.04 0.11 -0.14 0.58 0.37 0.00 0.00 175.52 176.41 1h0x h VAL 53 N 0.44 0.75 -0.47 3.16 2.07 -1.04 0.01 116.25 121.17 1h0x h VAL 53 Ca 0.12 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 67.46 1h0x h VAL 53 Cb -0.00 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1h0x h VAL 53 CO -0.02 0.05 0.15 -0.33 0.02 0.00 0.00 177.57 177.44 1h0x h GLU 54 N -0.52 0.30 -0.21 1.57 4.39 -0.91 -0.14 114.58 119.07 1h0x h GLU 54 Ca -0.04 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 1h0x h GLU 54 Cb 0.38 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1h0x h GLU 54 CO 0.06 0.20 -0.11 0.82 -1.16 0.00 0.00 179.01 178.83 1h0x h ILE 55 N 0.31 1.19 0.13 3.13 2.04 -0.89 -1.81 117.51 121.61 1h0x h ILE 55 Ca 0.22 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 1h0x h ILE 55 Cb 0.24 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1h0x h ILE 55 CO -0.24 0.26 -0.06 0.58 0.00 0.00 0.00 178.15 178.68 1h0x h VAL 56 N 0.31 1.04 0.00 1.67 2.07 0.24 -3.40 116.25 118.18 1h0x h VAL 56 Ca 0.06 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1h0x h VAL 56 Cb 0.38 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1h0x h VAL 56 CO 0.02 0.22 0.00 -2.11 0.02 0.00 0.00 177.57 175.72 1h0x n ARG 57 N -4.96 0.00 -1.69 1.57 1.85 -0.18 -2.98 116.66 110.26 1h0x n ARG 57 Ca -0.09 0.04 -0.43 0.00 -1.00 0.00 0.00 57.85 56.37 1h0x n ARG 57 Cb 0.25 -0.65 -0.01 0.00 -1.05 0.00 0.00 32.46 31.00 1h0x n ARG 57 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1h0x n ASN 58 N -0.62 2.80 -1.77 2.89 3.02 -0.69 -2.72 115.26 118.17 1h0x n ASN 58 Ca 0.00 1.19 0.00 0.00 -0.03 0.00 0.00 54.58 55.74 1h0x n ASN 58 Cb 0.00 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 37.70 1h0x n ASN 58 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1h0x n ARG 59 N 1.06 -4.59 0.00 3.52 0.63 -1.26 -4.26 116.66 111.77 1h0x n ARG 59 Ca 0.07 3.34 0.00 0.00 -0.92 0.00 0.00 57.85 60.33 1h0x n ARG 59 Cb 0.35 -3.50 0.00 0.00 0.45 0.00 0.00 32.46 29.76 1h0x n ARG 59 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1h0x n PHE 60 N 1.47 0.00 -2.89 -0.14 0.99 -1.26 -4.28 117.46 111.35 1h0x n PHE 60 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.45 57.24 1h0x n PHE 60 Cb 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 38.46 1h0x n PHE 60 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1h0x n LEU 61 N 0.00 2.85 -3.51 4.37 4.77 -1.10 -5.07 117.00 119.32 1h0x n LEU 61 Ca 0.00 -5.06 -0.50 0.00 -0.03 0.00 0.00 56.01 50.42 1h0x n LEU 61 Cb 0.00 0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 1h0x n LEU 61 CO 0.00 2.18 0.79 -2.65 -1.33 0.00 0.00 177.39 176.38 1h0x n PRO 62 N -0.09 0.00 -0.32 3.23 -0.02 -1.25 -2.17 135.00 134.38 1h0x n PRO 62 Ca 0.27 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1h0x n PRO 62 Cb 0.60 -1.12 0.00 0.00 -0.02 0.00 0.00 33.50 32.96 1h0x n PRO 62 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1h0x n ASP 63 N 2.68 -1.43 0.06 2.55 8.00 -1.26 -4.70 116.55 122.45 1h0x n ASP 63 Ca 0.22 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.83 1h0x n ASP 63 Cb -0.03 -1.42 -0.04 0.00 -0.02 0.00 0.00 41.12 39.61 1h0x n ASP 63 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1h0x n LYS 64 N 0.15 0.57 -4.65 -1.24 5.02 -0.92 -4.76 118.16 112.33 1h0x n LYS 64 Ca 0.00 0.02 -0.34 0.00 -2.02 0.00 0.00 58.31 55.98 1h0x n LYS 64 Cb 0.12 -1.71 -0.12 0.00 -0.02 0.00 0.00 35.03 33.29 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 -3.38 3.56 0.08 -0.18 1.01 -1.24 0.19 121.20 121.24 1h0x s ILE 65 Ca -0.02 -0.52 0.08 0.00 0.00 0.00 0.00 60.65 60.19 1h0x s ILE 65 Cb 0.11 -2.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 1h0x s ILE 65 CO 0.82 0.57 -0.20 -1.83 0.00 0.00 0.00 174.94 174.30 1h0x s GLU 66 N -0.49 1.18 -0.43 2.79 -1.05 0.12 -4.83 118.70 115.99 1h0x s GLU 66 Ca 0.07 -1.07 -0.27 0.00 -0.15 0.00 0.00 54.97 53.56 1h0x s GLU 66 Cb -0.12 -1.37 0.02 0.00 -0.44 0.00 0.00 34.13 32.22 1h0x s GLU 66 CO 0.02 0.33 1.00 0.42 0.95 0.00 0.00 175.26 177.98 1h0x s ILE 67 N -1.04 4.42 0.04 1.83 1.01 -1.26 -1.23 121.20 124.96 1h0x s ILE 67 Ca 0.06 1.06 -0.02 0.00 0.00 0.00 0.00 60.65 61.75 1h0x s ILE 67 Cb -0.10 -4.46 -0.27 0.00 0.01 0.00 0.00 42.46 37.65 1h0x s ILE 67 CO 0.03 -0.79 0.98 0.50 0.00 0.00 0.00 174.94 175.66 1h0x h LYS 68 N 8.91 0.22 -1.67 2.79 3.64 0.69 -3.49 116.57 127.67 1h0x h LYS 68 Ca -0.23 -0.37 0.04 0.00 -1.27 0.00 0.00 60.65 58.82 1h0x h LYS 68 Cb 1.07 0.14 -0.23 0.00 -0.41 0.00 0.00 32.23 32.80 1h0x h LYS 68 CO 1.05 1.10 0.44 -2.00 -2.27 0.00 0.00 179.45 177.76 1h0x s GLU 69 N -2.64 0.66 -0.10 1.90 2.12 -0.94 -4.97 118.70 114.72 1h0x s GLU 69 Ca -0.06 0.35 -0.00 0.00 0.36 0.00 0.00 54.97 55.62 1h0x s GLU 69 Cb 0.07 0.31 0.02 0.00 0.26 0.00 0.00 34.13 34.80 1h0x s GLU 69 CO 0.86 -0.17 -0.07 0.42 -0.54 0.00 0.00 175.26 175.76 1h0x s ILE 70 N -0.64 0.98 -0.02 -3.70 1.01 -1.26 0.24 121.20 117.82 1h0x s ILE 70 Ca -0.02 -0.27 0.06 0.00 0.00 0.00 0.00 60.65 60.41 1h0x s ILE 70 Cb -0.02 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 1h0x s ILE 70 CO 0.01 0.36 -0.18 -0.13 0.00 0.00 0.00 174.94 174.99 1h0x s ARG 71 N 1.61 2.31 0.04 2.79 1.81 0.51 -4.95 118.95 123.06 1h0x s ARG 71 Ca 0.03 -0.82 0.05 0.00 -1.72 0.00 0.00 55.73 53.27 1h0x s ARG 71 Cb -0.13 -2.24 -0.02 0.00 -0.45 0.00 0.00 34.95 32.11 1h0x s ARG 71 CO -0.07 0.59 -0.15 0.08 -0.68 0.00 0.00 175.30 175.07 1h0x s VAL 72 N -0.73 1.20 0.03 3.52 1.01 -1.26 0.28 120.40 124.45 1h0x s VAL 72 Ca 0.12 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 1h0x s VAL 72 Cb -0.10 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.21 1h0x s VAL 72 CO 0.01 0.04 0.16 0.61 0.00 0.00 0.00 175.10 175.92 1h0x n GLY 73 N 1.91 1.17 3.12 4.51 0.00 -0.29 -4.97 105.19 110.65 1h0x n GLY 73 Ca -0.18 -0.95 -0.17 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.37 1.40 -0.02 1.61 0.01 -1.26 0.12 113.70 114.20 1h0x s SER 74 Ca 0.04 -0.51 0.02 0.00 1.31 0.00 0.00 55.95 56.80 1h0x s SER 74 Cb -0.00 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.18 1h0x s SER 74 CO 0.01 -0.06 -0.07 -1.58 0.41 0.00 0.00 173.24 171.95 1h0x s GLN 75 N -1.39 0.68 0.44 12.44 2.00 -0.27 -4.94 119.66 128.63 1h0x s GLN 75 Ca -0.02 -0.23 -0.21 0.00 -2.00 0.00 0.00 55.36 52.89 1h0x s GLN 75 Cb -0.09 -0.67 -0.10 0.00 0.80 0.00 0.00 33.01 32.96 1h0x s GLN 75 CO 0.01 0.10 0.99 0.08 -0.50 0.00 0.00 175.29 175.98 1h0x s VAL 76 N 0.11 4.07 -0.24 1.34 1.01 -1.26 -0.82 120.40 124.60 1h0x s VAL 76 Ca -0.01 1.35 -0.03 0.00 0.00 0.00 0.00 61.98 63.29 1h0x s VAL 76 Cb -0.06 -3.58 0.08 0.00 0.00 0.00 0.00 36.38 32.82 1h0x s VAL 76 CO -0.00 -0.22 0.09 -0.69 0.00 0.00 0.00 175.10 174.29 1h0x s VAL 77 N -2.00 0.22 0.01 2.92 1.01 0.35 -4.91 120.40 118.00 1h0x s VAL 77 Ca 0.63 -0.67 -0.22 0.00 0.00 0.00 0.00 61.98 61.71 1h0x s VAL 77 Cb -0.14 -1.00 -0.18 0.00 0.00 0.00 0.00 36.38 35.06 1h0x s VAL 77 CO 0.18 -0.49 1.27 0.74 0.00 0.00 0.00 175.10 176.80 1h0x h THR 78 N 6.45 1.39 0.00 3.92 2.02 -1.92 0.29 112.91 125.07 1h0x h THR 78 Ca -0.17 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.64 1h0x h THR 78 Cb 1.07 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 1h0x h THR 78 CO 0.38 0.39 0.00 -1.54 0.37 0.00 0.00 175.52 175.12 1h0x n SER 79 N -4.62 0.00 -4.89 4.18 3.41 -1.26 -3.18 113.62 107.25 1h0x n SER 79 Ca -0.07 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.24 1h0x n SER 79 Cb 0.36 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.37 1h0x n SER 79 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1h0x s GLN 80 N 0.00 2.56 -0.07 4.33 -0.21 -1.26 -4.00 119.66 121.02 1h0x s GLN 80 Ca 0.00 0.27 0.00 0.00 0.02 0.00 0.00 55.36 55.65 1h0x s GLN 80 Cb 0.00 -2.03 0.00 0.00 1.00 0.00 0.00 33.01 31.98 1h0x s GLN 80 CO 0.00 -1.18 0.00 -0.40 -2.12 0.00 0.00 175.29 171.59 1h0x n ASP 81 N -3.05 -0.32 -0.58 5.90 5.75 -1.26 -3.07 116.55 119.91 1h0x n ASP 81 Ca 0.07 0.02 -0.03 0.00 -0.01 0.00 0.00 54.79 54.84 1h0x n ASP 81 Cb 0.59 -0.71 -0.01 0.00 -1.03 0.00 0.00 41.12 39.95 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 0.01 0.28 0.32 6.12 0.00 -1.25 -4.75 105.19 105.92 1h0x n GLY 82 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 1h0x n GLY 82 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1h0x h ARG 83 N 0.00 0.49 -2.50 1.61 2.43 -1.67 -3.48 114.38 111.25 1h0x h ARG 83 Ca -0.06 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1h0x h ARG 83 Cb 0.33 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1h0x h ARG 83 CO 0.09 0.32 -0.62 1.04 -1.51 0.00 0.00 179.97 179.29 1h0x n GLN 84 N -4.48 -3.06 -4.08 0.20 6.02 -1.19 -5.03 117.38 105.76 1h0x n GLN 84 Ca 0.04 2.29 -0.13 0.00 -0.01 0.00 0.00 57.00 59.19 1h0x n GLN 84 Cb 0.13 -2.59 -0.05 0.00 1.02 0.00 0.00 30.24 28.75 1h0x n GLN 84 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1h0x s SER 85 N -3.08 0.67 0.00 1.08 1.04 0.10 -4.94 113.70 108.58 1h0x s SER 85 Ca 0.00 -1.37 0.08 0.00 0.48 0.00 0.00 55.95 55.13 1h0x s SER 85 Cb 0.00 0.62 -0.02 0.00 0.10 0.00 0.00 66.02 66.72 1h0x s SER 85 CO 0.00 -1.23 -0.24 -0.13 0.98 0.00 0.00 173.24 172.62 1h0x s ARG 86 N -3.33 1.85 0.08 4.02 0.52 -1.26 0.13 118.95 120.96 1h0x s ARG 86 Ca 0.30 -0.92 0.09 0.00 -0.52 0.00 0.00 55.73 54.68 1h0x s ARG 86 Cb 0.00 -1.86 -0.03 0.00 0.52 0.00 0.00 34.95 33.58 1h0x s ARG 86 CO 0.17 0.50 -0.25 0.08 0.02 0.00 0.00 175.30 175.82 1h0x s VAL 87 N -0.64 2.05 0.46 3.52 1.01 -0.00 -4.94 120.40 121.86 1h0x s VAL 87 Ca 0.10 -1.50 -0.19 0.00 0.00 0.00 0.00 61.98 60.38 1h0x s VAL 87 Cb -0.09 -1.79 -0.10 0.00 0.00 0.00 0.00 36.38 34.40 1h0x s VAL 87 CO -0.00 0.20 0.96 -0.44 0.00 0.00 0.00 175.10 175.81 1h0x s SER 88 N -1.59 6.83 0.05 3.32 0.01 -1.26 -1.12 113.70 119.94 1h0x s SER 88 Ca 0.11 1.64 0.05 0.00 1.31 0.00 0.00 55.95 59.06 1h0x s SER 88 Cb -0.10 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 1h0x s SER 88 CO 0.04 -0.43 -0.14 -0.89 0.41 0.00 0.00 173.24 172.22 1h0x s THR 89 N -2.33 1.08 0.01 1.44 2.01 0.33 -0.57 115.64 117.62 1h0x s THR 89 Ca 0.61 -1.08 -0.02 0.00 0.31 0.00 0.00 61.69 61.50 1h0x s THR 89 Cb -0.09 -1.01 -0.01 0.00 0.01 0.00 0.00 72.50 71.40 1h0x s THR 89 CO 0.19 -0.08 0.03 -0.51 -0.69 0.00 0.00 174.62 173.57 1h0x s ILE 90 N -0.98 0.09 -0.08 1.82 2.07 -0.81 -1.14 121.20 122.18 1h0x s ILE 90 Ca 0.00 -0.78 -0.03 0.00 -1.41 0.00 0.00 60.65 58.43 1h0x s ILE 90 Cb -0.08 -0.30 0.04 0.00 0.13 0.00 0.00 42.46 42.25 1h0x s ILE 90 CO 0.02 -0.43 0.17 -0.70 -1.91 0.00 0.00 174.94 172.08 1h0x s GLU 91 N -1.34 0.09 -0.14 3.50 2.12 0.14 -2.45 118.70 120.62 1h0x s GLU 91 Ca -0.15 0.48 0.00 0.00 0.36 0.00 0.00 54.97 55.67 1h0x s GLU 91 Cb -0.09 -0.20 0.02 0.00 0.26 0.00 0.00 34.13 34.13 1h0x s GLU 91 CO -0.00 -0.22 -0.14 0.42 -0.54 0.00 0.00 175.26 174.78 1h0x s ILE 92 N 1.65 1.50 -0.22 -3.70 1.01 -0.01 -0.37 121.20 121.05 1h0x s ILE 92 Ca -0.04 -0.59 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 1h0x s ILE 92 Cb -0.12 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 1h0x s ILE 92 CO -0.06 0.45 0.07 0.00 0.00 0.00 0.00 174.94 175.39 1h0x s ALA 93 N 1.44 3.27 0.10 9.38 0.00 0.14 -0.46 121.76 135.63 1h0x s ALA 93 Ca 0.03 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 51.09 1h0x s ALA 93 Cb -0.13 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 1h0x s ALA 93 CO -0.09 -0.20 -0.16 0.96 0.00 0.00 0.00 175.76 176.27 1h0x s ILE 94 N 1.09 1.36 0.22 0.00 -4.36 -0.58 0.13 121.20 119.05 1h0x s ILE 94 Ca 0.04 -1.56 -0.14 0.00 -0.26 0.00 0.00 60.65 58.73 1h0x s ILE 94 Cb -0.14 -1.40 0.01 0.00 1.25 0.00 0.00 42.46 42.18 1h0x s ILE 94 CO 0.03 -0.28 0.47 0.00 0.24 0.00 0.00 174.94 175.40 1h0x s ARG 95 N -2.22 1.43 0.02 0.37 1.70 -0.37 -1.40 118.95 118.49 1h0x s ARG 95 Ca 0.05 -1.09 -0.30 0.00 -0.47 0.00 0.00 55.73 53.91 1h0x s ARG 95 Cb -0.08 0.48 -0.04 0.00 -0.57 0.00 0.00 34.95 34.74 1h0x s ARG 95 CO 0.03 -0.59 1.06 0.15 -1.08 0.00 0.00 175.30 174.87 1h0x s LYS 96 N -3.96 4.52 0.00 3.89 1.02 -1.18 0.16 119.74 124.19 1h0x s LYS 96 Ca 0.16 1.54 0.29 0.00 0.02 0.00 0.00 55.97 57.99 1h0x s LYS 96 Cb -0.00 -3.42 1.25 0.00 -0.52 0.00 0.00 37.83 35.14 1h0x s LYS 96 CO 0.03 -0.12 1.86 1.17 -0.92 0.00 0.00 175.35 177.37