#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hc5 n ASN 2 N 0.00 -3.09 0.04 -1.43 5.03 -1.26 -4.82 115.26 109.73 2hc5 n ASN 2 Ca 0.00 0.98 0.10 0.00 0.87 0.00 0.00 54.58 56.53 2hc5 n ASN 2 Cb 0.00 -4.05 0.41 0.00 -1.02 0.00 0.00 39.78 35.12 2hc5 n ASN 2 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2hc5 n ILE 3 N 0.91 0.78 0.52 2.41 3.06 -1.26 -2.03 119.36 123.75 2hc5 n ILE 3 Ca -0.18 0.17 0.05 0.00 -2.50 0.00 0.00 62.75 60.29 2hc5 n ILE 3 Cb 0.27 -0.94 0.27 0.00 0.54 0.00 0.00 39.64 39.78 2hc5 n ILE 3 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2hc5 n GLU 4 N -1.75 0.18 0.00 9.51 4.71 -1.24 -1.13 120.64 130.92 2hc5 n GLU 4 Ca 0.04 0.15 0.08 0.00 -0.01 0.00 0.00 57.16 57.43 2hc5 n GLU 4 Cb 0.23 -1.50 0.02 0.00 -1.01 0.00 0.00 31.44 29.18 2hc5 n GLU 4 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2hc5 n ARG 5 N -1.23 1.59 -2.03 3.49 1.74 -0.86 -4.56 116.66 114.80 2hc5 n ARG 5 Ca 0.05 -1.00 -0.40 0.00 -0.77 0.00 0.00 57.85 55.74 2hc5 n ARG 5 Cb 0.07 -1.30 -0.03 0.00 -1.02 0.00 0.00 32.46 30.18 2hc5 n ARG 5 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2hc5 s LEU 6 N -1.92 3.35 -0.27 0.55 2.96 -0.28 -4.79 118.68 118.28 2hc5 s LEU 6 Ca 0.15 0.59 -0.05 0.00 -0.22 0.00 0.00 54.13 54.60 2hc5 s LEU 6 Cb 0.14 -2.78 -0.15 0.00 0.50 0.00 0.00 46.19 43.89 2hc5 s LEU 6 CO 0.37 -2.21 -0.28 0.35 -1.32 0.00 0.00 176.35 173.26 2hc5 n THR 7 N 7.27 1.50 -4.55 3.68 -2.24 -1.26 0.15 114.28 118.83 2hc5 n THR 7 Ca 0.21 -0.49 -0.27 0.00 -2.27 0.00 0.00 64.05 61.23 2hc5 n THR 7 Cb 0.51 -1.61 -0.14 0.00 -2.10 0.00 0.00 70.33 66.99 2hc5 n THR 7 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2hc5 s THR 8 N -2.51 1.92 -0.37 4.28 2.01 -1.26 -3.98 115.64 115.72 2hc5 s THR 8 Ca -0.36 -1.46 0.03 0.00 0.31 0.00 0.00 61.69 60.21 2hc5 s THR 8 Cb 0.11 -1.69 0.31 0.00 0.01 0.00 0.00 72.50 71.24 2hc5 s THR 8 CO 0.55 0.15 1.25 0.18 -0.69 0.00 0.00 174.62 176.06 2hc5 n LEU 9 N 1.43 3.99 -0.07 4.42 7.99 -1.26 -4.61 117.00 128.89 2hc5 n LEU 9 Ca -0.18 -2.06 -0.07 0.00 -0.01 0.00 0.00 56.01 53.69 2hc5 n LEU 9 Cb 0.53 -0.62 -0.01 0.00 -0.11 0.00 0.00 43.42 43.21 2hc5 n LEU 9 CO 0.23 0.61 0.81 -0.61 -1.51 0.00 0.00 177.39 176.92 2hc5 h GLN 10 N 0.90 -0.00 -0.10 3.23 5.75 -2.00 -0.80 115.11 122.08 2hc5 h GLN 10 Ca 0.17 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.65 2hc5 h GLN 10 Cb 1.54 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.09 2hc5 h GLN 10 CO 0.37 -0.00 -0.02 -1.35 -2.65 0.00 0.00 178.83 175.18 2hc5 h PRO 11 N -0.00 0.14 -0.11 -2.39 0.11 -2.00 -2.54 132.00 125.20 2hc5 h PRO 11 Ca 0.13 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 66.06 2hc5 h PRO 11 Cb 0.20 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.29 2hc5 h PRO 11 CO -0.28 0.17 -0.58 0.28 -0.21 0.00 0.00 178.00 177.37 2hc5 h VAL 12 N 0.14 1.34 -0.66 3.15 2.07 -1.58 -0.85 116.25 119.86 2hc5 h VAL 12 Ca 0.03 -1.88 -0.02 0.00 0.82 0.00 0.00 66.70 65.66 2hc5 h VAL 12 Cb 0.13 2.16 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 2hc5 h VAL 12 CO 0.00 0.57 0.34 -0.50 0.02 0.00 0.00 177.57 178.00 2hc5 h TRP 13 N 0.22 0.91 -0.44 1.57 -0.00 -0.98 0.30 115.95 117.54 2hc5 h TRP 13 Ca -0.04 -0.02 -0.15 0.00 -0.00 0.00 0.00 58.89 58.68 2hc5 h TRP 13 Cb 1.23 -0.29 -0.01 0.00 -0.00 0.00 0.00 29.16 30.09 2hc5 h TRP 13 CO 0.11 0.65 -0.30 0.22 -0.00 0.00 0.00 178.44 179.12 2hc5 h ASP 14 N 0.92 1.02 0.20 -3.49 3.58 -1.38 -2.64 116.42 114.63 2hc5 h ASP 14 Ca 0.23 -0.42 -0.13 0.00 0.42 0.00 0.00 57.03 57.12 2hc5 h ASP 14 Cb 0.06 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.82 2hc5 h ASP 14 CO -0.03 1.23 -0.50 -0.09 -2.88 0.00 0.00 179.24 176.96 2hc5 h ARG 15 N 0.82 0.35 -0.08 0.28 2.43 -0.37 -2.06 114.38 115.76 2hc5 h ARG 15 Ca 0.09 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2hc5 h ARG 15 Cb 0.88 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.45 2hc5 h ARG 15 CO 0.08 0.77 0.03 -0.92 -1.51 0.00 0.00 179.97 178.43 2hc5 h TYR 16 N 0.28 0.11 -0.01 2.20 3.20 -0.38 0.57 116.97 122.94 2hc5 h TYR 16 Ca 0.01 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.88 2hc5 h TYR 16 Cb 0.99 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 2hc5 h TYR 16 CO 0.03 0.20 -0.02 0.22 -1.64 0.00 0.00 178.16 176.95 2hc5 h ASP 17 N -0.01 -0.06 -0.09 -2.11 3.58 -1.36 -1.36 116.42 115.02 2hc5 h ASP 17 Ca 0.03 0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.38 2hc5 h ASP 17 Cb 0.13 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2hc5 h ASP 17 CO -0.00 -0.03 -0.29 0.00 -2.88 0.00 0.00 179.24 176.04 2hc5 h THR 18 N -0.03 1.28 -0.53 2.25 1.03 -1.31 -2.43 112.91 113.18 2hc5 h THR 18 Ca 0.01 -1.37 -0.08 0.00 -0.01 0.00 0.00 66.41 64.96 2hc5 h THR 18 Cb 0.05 1.39 -0.02 0.00 -1.07 0.00 0.00 68.15 68.49 2hc5 h THR 18 CO -0.03 0.44 -0.01 -0.61 -0.01 0.00 0.00 175.52 175.30 2hc5 h GLN 19 N 0.48 0.89 -0.10 0.00 -0.00 -0.74 -2.25 115.11 113.40 2hc5 h GLN 19 Ca 0.06 -0.26 0.03 0.00 -0.00 0.00 0.00 58.65 58.48 2hc5 h GLN 19 Cb 0.75 -0.09 -0.00 0.00 0.00 0.00 0.00 27.48 28.13 2hc5 h GLN 19 CO 0.06 0.89 0.22 0.82 0.00 0.00 0.00 178.83 180.82 2hc5 h ILE 20 N 0.83 0.19 -0.09 2.39 1.08 -0.73 0.34 117.51 121.52 2hc5 h ILE 20 Ca 0.15 0.00 -0.14 0.00 -0.39 0.00 0.00 64.86 64.48 2hc5 h ILE 20 Cb 0.50 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 35.04 2hc5 h ILE 20 CO 0.02 0.00 -0.57 0.45 -0.69 0.00 0.00 178.15 177.37 2hc5 h HIS 21 N 0.00 0.36 0.00 1.37 3.86 -1.38 -3.34 115.15 116.02 2hc5 h HIS 21 Ca 0.05 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 2hc5 h HIS 21 Cb 0.48 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.89 2hc5 h HIS 21 CO 0.00 0.79 -0.05 -0.97 0.86 0.00 0.00 177.93 178.55 2hc5 h ASN 22 N 0.22 0.00 0.00 2.45 -1.24 -0.52 -3.47 115.58 113.01 2hc5 h ASN 22 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2hc5 h ASN 22 Cb 1.06 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.11 2hc5 h ASN 22 CO 0.09 0.28 0.00 1.67 -1.29 0.00 0.00 177.43 178.18 2hc5 n GLN 23 N -3.41 -0.16 -3.59 6.67 0.00 0.07 -4.90 117.38 112.05 2hc5 n GLN 23 Ca -0.01 0.04 -0.29 0.00 -0.00 0.00 0.00 57.00 56.75 2hc5 n GLN 23 Cb 0.03 -3.91 -0.15 0.00 0.00 0.00 0.00 30.24 26.21 2hc5 n GLN 23 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2hc5 s LYS 24 N -0.76 0.29 -0.14 3.69 1.02 -1.26 -5.09 119.74 117.49 2hc5 s LYS 24 Ca 0.00 -0.56 -0.07 0.00 0.02 0.00 0.00 55.97 55.35 2hc5 s LYS 24 Cb 0.00 -1.44 0.06 0.00 -0.52 0.00 0.00 37.83 35.92 2hc5 s LYS 24 CO 0.00 -0.95 0.34 0.34 -0.92 0.00 0.00 175.35 174.16 2hc5 s ASP 25 N 2.01 -0.35 -0.25 2.83 -1.08 -1.26 -5.13 116.67 113.44 2hc5 s ASP 25 Ca 0.08 0.74 -0.04 0.00 -0.52 0.00 0.00 52.55 52.81 2hc5 s ASP 25 Cb -0.16 0.66 0.09 0.00 -1.46 0.00 0.00 42.92 42.05 2hc5 s ASP 25 CO -0.30 -0.19 0.15 0.21 0.52 0.00 0.00 175.17 175.56 2hc5 s ASN 26 N 1.49 2.78 0.14 -0.34 3.84 -1.26 -4.68 114.94 116.91 2hc5 s ASN 26 Ca -0.08 -0.94 0.05 0.00 0.21 0.00 0.00 52.86 52.10 2hc5 s ASN 26 Cb -0.10 -0.14 -0.04 0.00 -0.55 0.00 0.00 41.25 40.43 2hc5 s ASN 26 CO -0.11 -0.40 0.08 -0.62 -2.79 0.00 0.00 177.10 173.26 2hc5 s ASP 27 N 2.17 5.30 0.31 -4.21 -1.08 -1.25 -5.01 116.67 112.90 2hc5 s ASP 27 Ca 0.07 -0.17 0.25 0.00 -0.52 0.00 0.00 52.55 52.18 2hc5 s ASP 27 Cb -0.16 -1.33 1.09 0.00 -1.46 0.00 0.00 42.92 41.06 2hc5 s ASP 27 CO -0.27 0.11 1.74 -0.55 0.52 0.00 0.00 175.17 176.72 2hc5 h ASN 28 N 2.78 0.00 -0.40 -0.34 -1.07 -2.05 -1.51 115.58 112.98 2hc5 h ASN 28 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.90 2hc5 h ASN 28 Cb 1.19 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.44 2hc5 h ASN 28 CO 0.62 0.00 0.00 -0.62 0.07 0.00 0.00 177.43 177.50 2hc5 n GLU 29 N -2.34 2.46 -3.38 4.14 1.02 -1.26 -4.82 120.64 116.46 2hc5 n GLU 29 Ca 0.01 -2.21 -0.11 0.00 -0.02 0.00 0.00 57.16 54.83 2hc5 n GLU 29 Cb 0.20 -1.51 -0.09 0.00 -0.02 0.00 0.00 31.44 30.02 2hc5 n GLU 29 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2hc5 s VAL 30 N -1.48 -0.55 -1.02 2.62 0.11 -0.57 -5.09 120.40 114.43 2hc5 s VAL 30 Ca 0.39 -0.09 -0.22 0.00 -2.93 0.00 0.00 61.98 59.13 2hc5 s VAL 30 Cb 0.23 -0.79 0.07 0.00 -1.53 0.00 0.00 36.38 34.35 2hc5 s VAL 30 CO 0.31 -0.15 1.40 -2.16 -3.33 0.00 0.00 175.10 171.17 2hc5 s PRO 31 N 2.50 3.61 -1.32 1.54 0.04 -1.26 -3.79 135.00 136.31 2hc5 s PRO 31 Ca 0.11 -1.29 -0.07 0.00 0.04 0.00 0.00 61.00 59.79 2hc5 s PRO 31 Cb -0.15 -5.28 0.02 0.00 0.04 0.00 0.00 34.50 29.13 2hc5 s PRO 31 CO -0.16 -2.12 2.68 0.28 0.04 0.00 0.00 177.00 177.72 2hc5 n VAL 32 N 6.58 4.70 -3.32 -0.36 0.31 -1.26 -4.80 118.33 120.18 2hc5 n VAL 32 Ca 0.32 -3.48 0.00 0.00 -0.01 0.00 0.00 64.34 61.17 2hc5 n VAL 32 Cb 0.50 -2.24 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 2hc5 n VAL 32 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 2hc5 n HIS 33 N 2.38 0.00 -2.57 3.52 -0.00 -1.26 -5.02 115.22 112.28 2hc5 n HIS 33 Ca 0.67 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.69 2hc5 n HIS 33 Cb 0.29 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.17 2hc5 n HIS 33 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2hc5 n GLN 34 N 0.00 -2.51 -2.53 1.57 6.02 -1.26 -4.91 117.38 113.75 2hc5 n GLN 34 Ca 0.00 0.72 -0.41 0.00 -0.01 0.00 0.00 57.00 57.30 2hc5 n GLN 34 Cb 0.00 -5.09 -0.03 0.00 1.02 0.00 0.00 30.24 26.14 2hc5 n GLN 34 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2hc5 s VAL 35 N -2.90 3.78 0.53 5.09 1.01 -1.26 -4.92 120.40 121.73 2hc5 s VAL 35 Ca 0.12 -0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.09 2hc5 s VAL 35 Cb -0.05 -4.93 0.05 0.00 0.00 0.00 0.00 36.38 31.45 2hc5 s VAL 35 CO 0.15 -1.85 0.73 -0.55 0.00 0.00 0.00 175.10 173.58 2hc5 s SER 36 N 4.42 5.25 0.27 3.32 0.15 -1.26 -4.96 113.70 120.89 2hc5 s SER 36 Ca 0.41 -0.45 0.01 0.00 0.70 0.00 0.00 55.95 56.61 2hc5 s SER 36 Cb -0.05 -0.34 0.58 0.00 -1.71 0.00 0.00 66.02 64.50 2hc5 s SER 36 CO 0.05 -1.15 1.78 0.22 1.20 0.00 0.00 173.24 175.34 2hc5 h TYR 37 N 0.24 0.91 -0.95 3.44 3.20 -1.98 0.25 116.97 122.08 2hc5 h TYR 37 Ca -0.37 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.61 2hc5 h TYR 37 Cb 1.28 -0.27 -0.06 0.00 1.54 0.00 0.00 36.73 39.22 2hc5 h TYR 37 CO 0.32 0.25 0.62 1.15 -1.64 0.00 0.00 178.16 178.86 2hc5 h THR 38 N 0.73 1.05 -0.56 1.81 2.02 -1.98 -2.43 112.91 113.55 2hc5 h THR 38 Ca 0.49 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 67.31 2hc5 h THR 38 Cb 0.67 -0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 2hc5 h THR 38 CO -0.35 0.20 0.37 0.78 0.37 0.00 0.00 175.52 176.89 2hc5 h ASN 39 N 1.07 0.63 -0.11 4.18 -0.26 -1.30 -0.39 115.58 119.40 2hc5 h ASN 39 Ca 0.42 -0.01 0.02 0.00 -0.56 0.00 0.00 56.30 56.16 2hc5 h ASN 39 Cb 0.23 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.32 2hc5 h ASN 39 CO -0.17 0.46 -0.01 -0.07 -1.06 0.00 0.00 177.43 176.57 2hc5 h LEU 40 N 0.75 -0.07 -0.61 1.61 -0.00 -1.33 0.17 115.31 115.83 2hc5 h LEU 40 Ca 0.21 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 58.12 2hc5 h LEU 40 Cb -0.07 0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 40.61 2hc5 h LEU 40 CO -0.05 -0.02 0.39 0.00 -0.00 0.00 0.00 178.44 178.76 2hc5 h ALA 41 N 1.10 0.77 -0.15 1.53 0.00 -1.27 -0.35 119.26 120.89 2hc5 h ALA 41 Ca 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2hc5 h ALA 41 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2hc5 h ALA 41 CO -0.10 0.23 0.06 0.93 0.00 0.00 0.00 179.25 180.36 2hc5 h GLU 42 N 0.83 0.23 -0.44 0.00 4.39 -0.73 -3.02 114.58 115.84 2hc5 h GLU 42 Ca 0.22 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.81 2hc5 h GLU 42 Cb -0.06 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 2hc5 h GLU 42 CO -0.05 0.33 0.00 0.52 -1.16 0.00 0.00 179.01 178.66 2hc5 h MET 43 N 0.08 0.72 -0.78 2.33 2.86 -0.40 -1.94 114.93 117.80 2hc5 h MET 43 Ca 0.05 -0.18 0.08 0.00 -2.06 0.00 0.00 59.70 57.59 2hc5 h MET 43 Cb 0.19 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 31.70 2hc5 h MET 43 CO -0.00 0.73 0.44 0.28 1.06 0.00 0.00 176.91 179.42 2hc5 h VAL 44 N 0.68 0.92 -0.02 -2.22 2.07 -0.98 0.13 116.25 116.82 2hc5 h VAL 44 Ca 0.14 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2hc5 h VAL 44 Cb 0.41 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 2hc5 h VAL 44 CO 0.02 0.14 -0.03 1.23 0.02 0.00 0.00 177.57 178.94 2hc5 h GLY 45 N 0.76 0.07 1.63 2.17 0.00 -1.28 -2.88 103.07 103.55 2hc5 h GLY 45 Ca 0.37 -0.08 -0.14 0.00 0.00 0.00 0.00 47.33 47.49 2hc5 h GLY 45 CO -0.23 0.07 -0.49 1.05 0.00 0.00 0.00 176.54 176.94 2hc5 h GLU 46 N -0.43 0.39 -0.83 4.80 4.11 -1.17 -1.54 114.58 119.91 2hc5 h GLU 46 Ca 0.00 -0.22 -0.04 0.00 0.07 0.00 0.00 59.36 59.17 2hc5 h GLU 46 Cb 0.55 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 2hc5 h GLU 46 CO 0.01 0.80 0.38 0.52 0.07 0.00 0.00 179.01 180.78 2hc5 h MET 47 N 0.31 1.22 -0.47 1.06 2.86 -0.82 0.48 114.93 119.56 2hc5 h MET 47 Ca 0.02 -0.19 -0.08 0.00 -2.06 0.00 0.00 59.70 57.38 2hc5 h MET 47 Cb 0.97 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 2hc5 h MET 47 CO 0.08 0.95 -0.04 -0.91 1.06 0.00 0.00 176.91 178.05 2hc5 h ASN 48 N 1.20 0.79 0.81 1.22 2.35 -1.24 -3.11 115.58 117.59 2hc5 h ASN 48 Ca 0.28 -0.21 -0.18 0.00 -0.55 0.00 0.00 56.30 55.65 2hc5 h ASN 48 Cb 0.15 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 2hc5 h ASN 48 CO -0.03 0.88 -0.85 0.50 -1.65 0.00 0.00 177.43 176.28 2hc5 h LYS 49 N 0.75 0.02 0.00 0.81 3.64 -0.62 -2.76 116.57 118.40 2hc5 h LYS 49 Ca 0.14 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2hc5 h LYS 49 Cb 0.51 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2hc5 h LYS 49 CO 0.03 0.85 0.00 -0.07 -2.27 0.00 0.00 179.45 177.99 2hc5 h LEU 50 N 0.01 0.00 -3.20 5.20 3.38 -0.88 -2.64 115.31 117.19 2hc5 h LEU 50 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2hc5 h LEU 50 Cb 1.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.24 2hc5 h LEU 50 CO 0.11 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.82 2hc5 n LEU 51 N -2.82 3.90 0.13 1.67 4.77 -1.07 -4.72 117.00 118.87 2hc5 n LEU 51 Ca 0.02 -2.76 -0.13 0.00 -0.03 0.00 0.00 56.01 53.11 2hc5 n LEU 51 Cb 0.32 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 40.86 2hc5 n LEU 51 CO 0.26 0.69 0.67 -0.08 -1.33 0.00 0.00 177.39 177.60 2hc5 h GLU 52 N 2.20 -0.51 -0.77 3.23 4.22 -1.20 -2.84 114.58 118.91 2hc5 h GLU 52 Ca 0.00 0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.45 2hc5 h GLU 52 Cb 1.34 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 2hc5 h GLU 52 CO 0.20 -0.34 0.03 -0.35 -2.18 0.00 0.00 179.01 176.37 2hc5 n PRO 53 N -5.40 3.18 -2.32 0.92 -0.04 -1.26 -4.93 135.00 125.15 2hc5 n PRO 53 Ca -0.07 -1.85 -0.26 0.00 -0.04 0.00 0.00 63.50 61.28 2hc5 n PRO 53 Cb 0.31 -1.93 0.13 0.00 -0.04 0.00 0.00 33.50 31.96 2hc5 n PRO 53 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2hc5 s SER 54 N -0.45 4.03 -0.05 3.54 1.04 -1.07 -3.68 113.70 117.06 2hc5 s SER 54 Ca 0.32 -0.04 0.14 0.00 0.48 0.00 0.00 55.95 56.85 2hc5 s SER 54 Cb 0.25 -0.27 0.45 0.00 0.10 0.00 0.00 66.02 66.55 2hc5 s SER 54 CO 0.09 -2.10 1.38 0.00 0.98 0.00 0.00 173.24 173.59 2hc5 n GLN 55 N -3.14 3.01 -0.07 4.02 6.02 0.12 -4.64 117.38 122.70 2hc5 n GLN 55 Ca 0.14 -2.40 -0.14 0.00 -0.01 0.00 0.00 57.00 54.59 2hc5 n GLN 55 Cb 0.60 -1.51 -0.12 0.00 1.02 0.00 0.00 30.24 30.23 2hc5 n GLN 55 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2hc5 h VAL 56 N 2.55 1.66 -5.37 5.09 2.07 -1.68 -3.45 116.25 117.12 2hc5 h VAL 56 Ca 0.00 -2.27 -0.00 0.00 0.82 0.00 0.00 66.70 65.24 2hc5 h VAL 56 Cb 1.01 3.16 0.00 0.00 -1.52 0.00 0.00 31.29 33.94 2hc5 h VAL 56 CO 0.08 0.56 -0.00 1.41 0.02 0.00 0.00 177.57 179.64 2hc5 n HIS 57 N -4.61 -2.99 -4.27 1.57 8.25 -1.26 -4.70 115.22 107.21 2hc5 n HIS 57 Ca -0.11 1.14 -0.34 0.00 -0.26 0.00 0.00 57.72 58.15 2hc5 n HIS 57 Cb 0.47 -4.12 -0.14 0.00 1.12 0.00 0.00 29.99 27.33 2hc5 n HIS 57 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2hc5 s LEU 58 N -4.00 2.94 0.18 2.41 1.98 -1.26 -1.42 118.68 119.52 2hc5 s LEU 58 Ca 0.00 -0.30 0.05 0.00 -2.89 0.00 0.00 54.13 50.99 2hc5 s LEU 58 Cb -0.00 -1.72 -0.04 0.00 0.66 0.00 0.00 46.19 45.10 2hc5 s LEU 58 CO 0.75 0.08 0.16 -0.54 -1.89 0.00 0.00 176.35 174.91 2hc5 s LYS 59 N 0.88 2.93 -0.14 1.98 1.02 0.13 -4.87 119.74 121.67 2hc5 s LYS 59 Ca -0.01 -0.90 -0.02 0.00 0.02 0.00 0.00 55.97 55.06 2hc5 s LYS 59 Cb -0.15 -2.64 0.04 0.00 -0.52 0.00 0.00 37.83 34.57 2hc5 s LYS 59 CO 0.01 0.47 -0.00 -0.06 -0.92 0.00 0.00 175.35 174.84 2hc5 s PHE 60 N -1.84 1.04 -0.07 3.18 0.08 -1.26 -0.63 117.98 118.49 2hc5 s PHE 60 Ca 0.31 -0.62 0.04 0.00 0.12 0.00 0.00 56.93 56.78 2hc5 s PHE 60 Cb -0.10 -1.01 -0.02 0.00 -0.57 0.00 0.00 43.02 41.33 2hc5 s PHE 60 CO 0.24 -0.50 -0.18 -1.21 -0.10 0.00 0.00 175.22 173.47 2hc5 s GLU 61 N 1.85 2.70 -0.17 0.44 8.01 -0.75 -4.88 118.70 125.90 2hc5 s GLU 61 Ca 0.02 -0.77 -0.27 0.00 0.01 0.00 0.00 54.97 53.96 2hc5 s GLU 61 Cb -0.15 -2.35 -0.01 0.00 -4.31 0.00 0.00 34.13 27.31 2hc5 s GLU 61 CO -0.07 0.45 0.94 -1.17 0.01 0.00 0.00 175.26 175.42 2hc5 s LEU 62 N -0.30 4.18 -0.01 1.80 2.96 -1.26 -0.11 118.68 125.94 2hc5 s LEU 62 Ca 0.02 1.33 0.00 0.00 -0.22 0.00 0.00 54.13 55.26 2hc5 s LEU 62 Cb -0.13 -3.40 0.01 0.00 0.50 0.00 0.00 46.19 43.16 2hc5 s LEU 62 CO 0.03 -0.48 -0.00 -1.00 -1.32 0.00 0.00 176.35 173.57 2hc5 s HIS 63 N 2.38 0.08 0.16 5.38 3.76 -0.38 -4.97 115.29 121.70 2hc5 s HIS 63 Ca 0.43 0.01 0.05 0.00 -0.15 0.00 0.00 55.06 55.40 2hc5 s HIS 63 Cb -0.17 -0.10 -0.04 0.00 1.11 0.00 0.00 32.58 33.38 2hc5 s HIS 63 CO 0.12 -0.03 0.09 0.16 -0.85 0.00 0.00 174.74 174.24 2hc5 s ASP 64 N 0.24 5.32 -0.32 1.40 -4.77 -1.26 -0.93 116.67 116.35 2hc5 s ASP 64 Ca -0.02 -0.18 -0.02 0.00 -3.30 0.00 0.00 52.55 49.02 2hc5 s ASP 64 Cb -0.03 -1.33 0.12 0.00 -1.09 0.00 0.00 42.92 40.58 2hc5 s ASP 64 CO -0.01 0.09 0.18 -0.75 0.70 0.00 0.00 175.17 175.38 2hc5 s LYS 65 N -2.96 0.35 0.00 2.11 2.20 0.17 -4.94 119.74 116.66 2hc5 s LYS 65 Ca 0.30 -0.80 0.00 0.00 -0.36 0.00 0.00 55.97 55.10 2hc5 s LYS 65 Cb -0.10 -1.15 0.00 0.00 -1.51 0.00 0.00 37.83 35.07 2hc5 s LYS 65 CO 0.22 -1.10 0.00 1.28 -0.36 0.00 0.00 175.35 175.39 2hc5 n LEU 66 N 4.78 0.00 0.00 5.43 4.32 -1.26 -1.02 117.00 129.25 2hc5 n LEU 66 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 2hc5 n LEU 66 Cb 0.41 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 2hc5 n LEU 66 CO 0.08 0.00 -0.08 -3.20 -1.22 0.00 0.00 177.39 172.97 2hc5 n ASN 67 N 1.76 0.80 -4.39 -1.43 4.05 -1.26 -4.98 115.26 109.81 2hc5 n ASN 67 Ca 0.00 -0.23 -0.45 0.00 0.45 0.00 0.00 54.58 54.36 2hc5 n ASN 67 Cb 0.00 0.61 -0.06 0.00 1.23 0.00 0.00 39.78 41.56 2hc5 n ASN 67 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2hc5 s GLU 68 N -0.77 3.02 -0.50 1.20 2.02 -0.19 -5.01 118.70 118.47 2hc5 s GLU 68 Ca 0.00 -1.30 -0.19 0.00 0.02 0.00 0.00 54.97 53.49 2hc5 s GLU 68 Cb 0.00 -4.17 0.05 0.00 0.10 0.00 0.00 34.13 30.11 2hc5 s GLU 68 CO 0.00 -1.20 0.63 1.52 0.02 0.00 0.00 175.26 176.23 2hc5 s TYR 69 N 2.01 3.05 0.45 1.61 1.13 -1.26 0.44 117.35 124.78 2hc5 s TYR 69 Ca 0.08 -0.48 0.03 0.00 -1.41 0.00 0.00 57.07 55.29 2hc5 s TYR 69 Cb -0.24 -3.52 -0.03 0.00 -1.10 0.00 0.00 41.96 37.07 2hc5 s TYR 69 CO 0.07 -1.02 0.04 1.52 -2.51 0.00 0.00 175.55 173.65 2hc5 s TYR 70 N 2.67 2.00 -0.17 -3.49 -0.85 -0.11 -4.61 117.35 112.78 2hc5 s TYR 70 Ca 0.16 -0.97 -0.05 0.00 -0.52 0.00 0.00 57.07 55.69 2hc5 s TYR 70 Cb -0.18 -1.52 -0.03 0.00 0.38 0.00 0.00 41.96 40.61 2hc5 s TYR 70 CO 0.13 0.14 -0.00 0.08 -1.52 0.00 0.00 175.55 174.38 2hc5 s VAL 71 N -2.96 4.16 -0.24 -3.49 1.01 -1.20 -1.25 120.40 116.43 2hc5 s VAL 71 Ca 0.19 -0.26 -0.17 0.00 0.00 0.00 0.00 61.98 61.74 2hc5 s VAL 71 Cb 0.04 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 2hc5 s VAL 71 CO 0.10 0.47 0.46 -0.54 0.00 0.00 0.00 175.10 175.59 2hc5 s LYS 72 N 0.46 4.10 -0.39 2.72 1.02 0.85 -3.08 119.74 125.42 2hc5 s LYS 72 Ca -0.01 0.25 -0.27 0.00 0.02 0.00 0.00 55.97 55.96 2hc5 s LYS 72 Cb -0.14 -3.61 0.02 0.00 -0.52 0.00 0.00 37.83 33.58 2hc5 s LYS 72 CO 0.02 -0.24 1.00 0.08 -0.92 0.00 0.00 175.35 175.29 2hc5 s VAL 73 N 1.94 4.49 -0.15 3.17 1.01 0.14 -1.81 120.40 129.19 2hc5 s VAL 73 Ca 0.20 1.28 0.01 0.00 0.00 0.00 0.00 61.98 63.47 2hc5 s VAL 73 Cb -0.15 -4.41 0.02 0.00 0.00 0.00 0.00 36.38 31.83 2hc5 s VAL 73 CO 0.09 -0.64 -0.17 -0.63 0.00 0.00 0.00 175.10 173.75 2hc5 s ILE 74 N 3.73 1.74 -0.06 2.22 1.01 0.20 -1.79 121.20 128.25 2hc5 s ILE 74 Ca 0.42 -0.76 -0.30 0.00 0.00 0.00 0.00 60.65 60.01 2hc5 s ILE 74 Cb -0.11 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 2hc5 s ILE 74 CO 0.21 0.49 1.03 -0.70 0.00 0.00 0.00 174.94 175.97 2hc5 s GLU 75 N 1.26 4.45 0.15 2.79 -6.30 -1.02 0.20 118.70 120.23 2hc5 s GLU 75 Ca 0.01 1.45 -0.04 0.00 -2.50 0.00 0.00 54.97 53.90 2hc5 s GLU 75 Cb -0.14 -3.51 -0.02 0.00 0.00 0.00 0.00 34.13 30.46 2hc5 s GLU 75 CO -0.08 -0.26 1.37 0.22 0.02 0.00 0.00 175.26 176.53 2hc5 h ASP 76 N 7.05 0.57 0.02 -1.70 3.58 -1.52 0.34 116.42 124.76 2hc5 h ASP 76 Ca -0.35 -0.40 -0.00 0.00 0.42 0.00 0.00 57.03 56.71 2hc5 h ASP 76 Cb 1.17 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.05 2hc5 h ASP 76 CO 0.83 1.16 -0.01 0.28 -2.88 0.00 0.00 179.24 178.62 2hc5 h SER 77 N 0.30 -0.02 1.49 2.28 0.02 -1.86 -2.76 113.55 113.00 2hc5 h SER 77 Ca -0.05 -0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 60.64 2hc5 h SER 77 Cb 1.41 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.94 2hc5 h SER 77 CO 0.14 0.15 -0.51 0.71 -1.14 0.00 0.00 176.83 176.19 2hc5 h THR 78 N -0.20 0.74 -0.24 -2.27 1.35 -1.96 -3.47 112.91 106.86 2hc5 h THR 78 Ca -0.00 -2.07 -0.10 0.00 -0.55 0.00 0.00 66.41 63.68 2hc5 h THR 78 Cb 0.19 2.35 -0.04 0.00 -1.73 0.00 0.00 68.15 68.92 2hc5 h THR 78 CO 0.00 0.42 -0.09 -3.20 -0.25 0.00 0.00 175.52 172.40 2hc5 n ASN 79 N -3.19 -4.21 -4.70 5.36 2.85 0.12 -4.99 115.26 106.50 2hc5 n ASN 79 Ca 0.02 0.13 -0.23 0.00 -0.11 0.00 0.00 54.58 54.38 2hc5 n ASN 79 Cb 0.72 -2.16 -0.06 0.00 1.24 0.00 0.00 39.78 39.52 2hc5 n ASN 79 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 2hc5 s GLU 80 N -1.93 2.47 -0.72 1.20 -1.05 -1.18 -4.92 118.70 112.57 2hc5 s GLU 80 Ca 0.00 -1.33 -0.27 0.00 -0.15 0.00 0.00 54.97 53.22 2hc5 s GLU 80 Cb 0.00 -2.27 0.02 0.00 -0.44 0.00 0.00 34.13 31.45 2hc5 s GLU 80 CO 0.00 0.36 1.34 0.08 0.95 0.00 0.00 175.26 177.99 2hc5 s VAL 81 N -2.28 3.70 -0.45 1.83 1.01 -1.26 -2.43 120.40 120.51 2hc5 s VAL 81 Ca 0.32 0.42 0.23 0.00 0.00 0.00 0.00 61.98 62.95 2hc5 s VAL 81 Cb -0.07 -4.80 0.20 0.00 0.00 0.00 0.00 36.38 31.71 2hc5 s VAL 81 CO 0.21 -1.72 1.44 0.16 0.00 0.00 0.00 175.10 175.19 2hc5 h ILE 82 N 6.13 0.00 -2.42 2.22 3.07 -1.72 -3.46 117.51 121.34 2hc5 h ILE 82 Ca -0.28 -0.85 -0.08 0.00 1.55 0.00 0.00 64.86 65.20 2hc5 h ILE 82 Cb 1.06 1.66 -0.23 0.00 -0.27 0.00 0.00 36.82 39.04 2hc5 h ILE 82 CO 1.27 0.00 -0.09 -0.60 -1.05 0.00 0.00 178.15 177.68 2hc5 s ARG 83 N -3.23 0.62 -0.15 0.16 6.06 -0.97 -5.06 118.95 116.39 2hc5 s ARG 83 Ca 0.05 0.78 0.01 0.00 -2.50 0.00 0.00 55.73 54.07 2hc5 s ARG 83 Cb 0.08 0.28 0.02 0.00 0.06 0.00 0.00 34.95 35.39 2hc5 s ARG 83 CO 0.70 -0.08 -0.18 -2.00 -2.50 0.00 0.00 175.30 171.23 2hc5 s GLU 84 N 0.41 2.70 -0.21 5.12 2.12 -1.26 -0.68 118.70 126.90 2hc5 s GLU 84 Ca -0.01 -0.72 0.01 0.00 0.36 0.00 0.00 54.97 54.61 2hc5 s GLU 84 Cb -0.04 -2.31 0.04 0.00 0.26 0.00 0.00 34.13 32.08 2hc5 s GLU 84 CO -0.01 -0.15 -0.12 0.42 -0.54 0.00 0.00 175.26 174.86 2hc5 s ILE 85 N 1.18 1.80 0.76 -3.70 1.01 -1.18 -5.00 121.20 116.08 2hc5 s ILE 85 Ca 0.00 -1.10 -0.11 0.00 0.00 0.00 0.00 60.65 59.44 2hc5 s ILE 85 Cb -0.14 -1.84 0.05 0.00 0.01 0.00 0.00 42.46 40.55 2hc5 s ILE 85 CO -0.08 0.20 1.09 -2.16 0.00 0.00 0.00 174.94 173.98 2hc5 s PRO 86 N 1.33 2.33 0.47 2.79 0.04 -1.26 -3.27 135.00 137.42 2hc5 s PRO 86 Ca -0.02 1.14 0.19 0.00 0.04 0.00 0.00 61.00 62.35 2hc5 s PRO 86 Cb -0.16 -1.91 1.17 0.00 0.04 0.00 0.00 34.50 33.64 2hc5 s PRO 86 CO -0.08 -1.58 1.97 -1.00 0.04 0.00 0.00 177.00 176.34 2hc5 h PRO 87 N -1.08 0.25 0.00 0.56 0.13 -1.96 0.19 132.00 130.08 2hc5 h PRO 87 Ca -0.44 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2hc5 h PRO 87 Cb 1.23 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2hc5 h PRO 87 CO 0.52 0.17 0.00 0.36 -0.23 0.00 0.00 178.00 178.82 2hc5 n LYS 88 N -4.44 0.45 0.00 0.86 0.00 -1.26 -2.78 118.16 110.99 2hc5 n LYS 88 Ca 0.11 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 2hc5 n LYS 88 Cb 0.51 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 34.04 2hc5 n LYS 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2hc5 n ARG 89 N -1.20 5.07 0.13 -1.58 5.12 0.45 -4.75 116.66 119.89 2hc5 n ARG 89 Ca 0.13 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 56.04 2hc5 n ARG 89 Cb 0.15 -0.38 0.23 0.00 -1.16 0.00 0.00 32.46 31.31 2hc5 n ARG 89 CO 0.00 0.00 0.00 2.35 -1.93 0.00 0.00 177.63 178.05 2hc5 h TRP 90 N 0.00 0.14 -0.73 -1.55 2.91 -0.79 -2.83 115.95 113.11 2hc5 h TRP 90 Ca 0.00 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.98 2hc5 h TRP 90 Cb 0.00 -0.03 -0.04 0.00 -0.51 0.00 0.00 29.16 28.58 2hc5 h TRP 90 CO 0.00 0.58 0.47 -0.07 -1.03 0.00 0.00 178.44 178.39 2hc5 h LEU 91 N 0.10 0.84 -0.78 0.65 3.38 -1.86 0.19 115.31 117.83 2hc5 h LEU 91 Ca 0.00 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2hc5 h LEU 91 Cb 0.88 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2hc5 h LEU 91 CO 0.07 0.62 0.14 0.44 0.09 0.00 0.00 178.44 179.79 2hc5 h ASP 92 N 0.99 1.00 -0.13 -0.43 5.19 -1.84 0.40 116.42 121.60 2hc5 h ASP 92 Ca 0.27 -0.22 -0.04 0.00 -0.62 0.00 0.00 57.03 56.42 2hc5 h ASP 92 Cb -0.10 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.14 2hc5 h ASP 92 CO -0.06 0.98 -0.08 0.15 -3.12 0.00 0.00 179.24 177.11 2hc5 h PHE 93 N 1.00 0.33 -0.88 4.55 3.57 -1.26 -1.75 116.94 122.50 2hc5 h PHE 93 Ca 0.21 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 2hc5 h PHE 93 Cb 0.38 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 2hc5 h PHE 93 CO 0.03 0.64 0.49 -0.92 -2.23 0.00 0.00 178.31 176.32 2hc5 h TYR 94 N -0.07 1.20 -0.73 0.41 3.20 -0.48 -0.27 116.97 120.23 2hc5 h TYR 94 Ca 0.03 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 2hc5 h TYR 94 Cb 0.56 -0.39 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 2hc5 h TYR 94 CO 0.07 0.82 0.32 0.00 -1.64 0.00 0.00 178.16 177.73 2hc5 h ALA 95 N 1.31 0.95 -0.46 1.82 0.00 -0.86 0.77 119.26 122.78 2hc5 h ALA 95 Ca 0.31 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2hc5 h ALA 95 Cb 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2hc5 h ALA 95 CO -0.05 0.54 -0.04 0.00 0.00 0.00 0.00 179.25 179.70 2hc5 h ALA 96 N 1.16 1.06 -0.14 0.00 0.00 -0.62 -2.74 119.26 117.97 2hc5 h ALA 96 Ca 0.25 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 2hc5 h ALA 96 Cb 0.17 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.78 2hc5 h ALA 96 CO -0.03 0.58 -0.65 0.52 0.00 0.00 0.00 179.25 179.68 2hc5 h MET 97 N 0.73 0.68 -0.18 0.00 2.07 -0.65 -2.38 114.93 115.21 2hc5 h MET 97 Ca 0.14 -0.55 -0.08 0.00 -2.07 0.00 0.00 59.70 57.13 2hc5 h MET 97 Cb 0.51 0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 30.34 2hc5 h MET 97 CO 0.03 1.17 -0.24 0.00 1.07 0.00 0.00 176.91 178.93 2hc5 h THR 98 N 0.37 1.25 0.00 2.22 1.03 -0.80 0.63 112.91 117.61 2hc5 h THR 98 Ca -0.04 -1.16 -0.14 0.00 -0.01 0.00 0.00 66.41 65.06 2hc5 h THR 98 Cb 1.29 1.38 -0.02 0.00 -1.07 0.00 0.00 68.15 69.72 2hc5 h THR 98 CO 0.14 0.36 -0.65 -0.33 -0.01 0.00 0.00 175.52 175.02 2hc5 h GLU 99 N 0.30 0.00 0.00 0.00 5.08 -1.53 -2.20 114.58 116.23 2hc5 h GLU 99 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2hc5 h GLU 99 Cb 0.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2hc5 h GLU 99 CO 0.04 0.65 -0.12 0.35 -1.00 0.00 0.00 179.01 178.93 2hc5 h PHE 100 N 0.00 0.00 0.00 4.33 3.57 -0.70 -3.32 116.94 120.82 2hc5 h PHE 100 Ca -0.01 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.35 2hc5 h PHE 100 Cb 1.25 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 2hc5 h PHE 100 CO 0.00 0.23 -0.69 -0.07 -2.23 0.00 0.00 178.31 175.56 2hc5 h LEU 101 N -1.00 0.00 0.00 0.59 -0.00 0.08 -2.68 115.31 112.30 2hc5 h LEU 101 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2hc5 h LEU 101 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.96 2hc5 h LEU 101 CO -0.01 0.69 0.00 0.61 -0.00 0.00 0.00 178.44 179.73 2hc5 n GLY 102 N 0.60 -1.08 0.01 0.83 0.00 -0.83 -0.74 105.19 103.99 2hc5 n GLY 102 Ca -0.01 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.07 2hc5 n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hc5 n LEU 103 N -1.45 0.40 -0.23 0.99 4.77 -1.01 -3.75 117.00 116.73 2hc5 n LEU 103 Ca 0.06 0.19 0.09 0.00 -0.03 0.00 0.00 56.01 56.32 2hc5 n LEU 103 Cb 0.20 -0.31 -0.05 0.00 -2.33 0.00 0.00 43.42 40.93 2hc5 n LEU 103 CO 0.16 0.05 0.13 0.49 -1.33 0.00 0.00 177.39 176.90 2hc5 n PHE 104 N -1.61 0.00 -2.23 -1.77 3.72 0.08 -4.95 117.46 110.70 2hc5 n PHE 104 Ca 0.06 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.07 2hc5 n PHE 104 Cb 0.35 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.88 2hc5 n PHE 104 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2hc5 s VAL 105 N -2.48 3.00 -1.21 -4.37 -7.23 -1.02 -4.80 120.40 102.29 2hc5 s VAL 105 Ca 0.12 0.89 -0.11 0.00 -1.81 0.00 0.00 61.98 61.06 2hc5 s VAL 105 Cb 0.15 -3.52 0.19 0.00 0.56 0.00 0.00 36.38 33.76 2hc5 s VAL 105 CO 0.63 0.12 1.53 -0.67 -0.31 0.00 0.00 175.10 176.39 2hc5 n ASP 106 N 0.28 5.29 0.00 4.85 2.03 -1.26 -4.86 116.55 122.87 2hc5 n ASP 106 Ca 0.03 -3.04 0.00 0.00 0.52 0.00 0.00 54.79 52.30 2hc5 n ASP 106 Cb 0.45 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 2hc5 n ASP 106 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2hc5 n GLU 107 N 4.61 0.00 -0.00 -0.67 4.07 -1.26 -4.01 120.64 123.38 2hc5 n GLU 107 Ca 0.36 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.56 2hc5 n GLU 107 Cb 0.40 0.00 0.52 0.00 -0.06 0.00 0.00 31.44 32.30 2hc5 n GLU 107 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 2hc5 h LYS 108 N 0.00 0.34 -0.63 5.31 1.79 -2.02 -0.02 116.57 121.35 2hc5 h LYS 108 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2hc5 h LYS 108 Cb 0.00 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.57 2hc5 h LYS 108 CO 0.00 0.23 0.00 1.63 -1.08 0.00 0.00 179.45 180.23 2hc5 n LYS 109 N -4.47 1.91 0.20 3.15 4.76 -1.26 -3.85 118.16 118.60 2hc5 n LYS 109 Ca 0.06 -0.87 0.08 0.00 -2.87 0.00 0.00 58.31 54.70 2hc5 n LYS 109 Cb 0.26 -1.52 0.38 0.00 -1.84 0.00 0.00 35.03 32.32 2hc5 n LYS 109 CO 0.00 0.00 0.00 1.37 -1.37 0.00 0.00 177.40 177.40 2hc5 h LEU 110 N 1.21 0.00 0.00 -0.35 -0.00 -1.32 -3.47 115.31 111.38 2hc5 h LEU 110 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2hc5 h LEU 110 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.35 2hc5 h LEU 110 CO 0.09 0.30 0.00 1.21 -0.00 0.00 0.00 178.44 180.04 2hc5 n GLU 111 N -3.45 0.00 -1.62 0.17 2.13 -1.25 -4.87 120.64 111.75 2hc5 n GLU 111 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 2hc5 n GLU 111 Cb 0.48 0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.26 2hc5 n GLU 111 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2hc5 s HIS 112 N 0.00 3.01 -0.60 4.31 3.76 -1.26 -4.96 115.29 119.55 2hc5 s HIS 112 Ca 0.00 1.21 -0.28 0.00 -0.15 0.00 0.00 55.06 55.84 2hc5 s HIS 112 Cb 0.00 -3.04 0.03 0.00 1.11 0.00 0.00 32.58 30.69 2hc5 s HIS 112 CO 0.00 -1.50 1.18 -1.58 -0.85 0.00 0.00 174.74 172.00 2hc5 s HIS 113 N -3.16 2.58 -0.44 1.40 2.46 -1.26 -4.97 115.29 111.91 2hc5 s HIS 113 Ca 0.59 0.32 -0.28 0.00 0.47 0.00 0.00 55.06 56.16 2hc5 s HIS 113 Cb -0.14 -4.49 -0.00 0.00 -0.13 0.00 0.00 32.58 27.82 2hc5 s HIS 113 CO 0.54 -1.63 1.56 -1.58 -2.47 0.00 0.00 174.74 171.16 2hc5 s HIS 114 N 4.96 2.15 -0.02 3.88 2.46 -1.26 -4.88 115.29 122.58 2hc5 s HIS 114 Ca 0.41 0.63 -0.24 0.00 0.47 0.00 0.00 55.06 56.33 2hc5 s HIS 114 Cb -0.08 -4.26 -0.20 0.00 -0.13 0.00 0.00 32.58 27.91 2hc5 s HIS 114 CO 0.24 -2.28 1.19 1.25 -2.47 0.00 0.00 174.74 172.67 2hc5 h HIS 115 N 11.76 0.16 -3.17 3.88 2.76 -2.06 -3.43 115.15 125.06 2hc5 h HIS 115 Ca -0.29 -0.06 -0.57 0.00 -2.20 0.00 0.00 60.37 57.25 2hc5 h HIS 115 Cb 1.13 -0.03 -0.36 0.00 1.55 0.00 0.00 27.41 29.69 2hc5 h HIS 115 CO 0.98 0.70 -0.82 -1.58 -1.30 0.00 0.00 177.93 175.91 2hc5 s HIS 116 N -3.84 1.86 -0.51 5.26 5.65 -1.26 -5.35 115.29 117.10 2hc5 s HIS 116 Ca -0.16 -1.03 0.04 0.00 0.25 0.00 0.00 55.06 54.17 2hc5 s HIS 116 Cb 0.02 -1.43 0.03 0.00 -1.18 0.00 0.00 32.58 30.02 2hc5 s HIS 116 CO 0.71 -0.60 0.63 1.58 -0.65 0.00 0.00 174.74 176.40