#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 -5.57 0.31 -1.43 5.15 -1.26 -4.82 115.26 107.65 2hc5 n ASN 2 Ca 0.00 1.02 0.20 0.00 -0.60 0.00 0.00 54.58 55.20 2hc5 n ASN 2 Cb 0.00 -3.22 0.97 0.00 -0.53 0.00 0.00 39.78 36.99 2hc5 n ASN 2 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 2hc5 h ILE 3 N 4.12 0.01 0.00 -1.44 2.10 -1.86 -2.62 117.51 117.81 2hc5 h ILE 3 Ca -0.15 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.54 2hc5 h ILE 3 Cb 0.58 1.25 0.00 0.00 -1.09 0.00 0.00 36.82 37.55 2hc5 h ILE 3 CO 0.02 0.00 0.00 -0.08 -1.08 0.00 0.00 178.15 177.01 2hc5 h GLU 4 N 0.00 0.00 -0.02 2.19 4.81 -1.88 -1.10 114.58 118.58 2hc5 h GLU 4 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2hc5 h GLU 4 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2hc5 h GLU 4 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 179.01 178.82 2hc5 n ARG 5 N -2.34 2.99 -2.26 1.92 1.74 -0.99 -4.16 116.66 113.56 2hc5 n ARG 5 Ca 0.00 -1.53 -0.38 0.00 -0.77 0.00 0.00 57.85 55.17 2hc5 n ARG 5 Cb 0.13 -1.01 -0.03 0.00 -1.02 0.00 0.00 32.46 30.53 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 -1.01 3.25 -0.07 0.55 2.96 -0.42 -4.73 118.68 119.21 2hc5 s LEU 6 Ca 0.01 -0.21 0.11 0.00 -0.22 0.00 0.00 54.13 53.82 2hc5 s LEU 6 Cb 0.01 -2.55 0.20 0.00 0.50 0.00 0.00 46.19 44.35 2hc5 s LEU 6 CO 0.01 -2.16 1.12 1.07 -1.32 0.00 0.00 176.35 175.07 2hc5 n THR 7 N 6.97 1.50 -4.21 3.68 5.66 -1.26 -1.62 114.28 125.01 2hc5 n THR 7 Ca 0.18 -1.64 -0.20 0.00 -3.05 0.00 0.00 64.05 59.34 2hc5 n THR 7 Cb 0.50 0.11 -0.16 0.00 -1.55 0.00 0.00 70.33 69.23 2hc5 n THR 7 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2hc5 s THR 8 N -1.99 0.57 -0.18 1.09 -1.32 -1.26 -4.79 115.64 107.75 2hc5 s THR 8 Ca 0.19 -0.16 0.16 0.00 -1.21 0.00 0.00 61.69 60.67 2hc5 s THR 8 Cb 0.16 -0.57 0.50 0.00 -1.51 0.00 0.00 72.50 71.07 2hc5 s THR 8 CO 0.03 0.22 1.39 0.18 -2.21 0.00 0.00 174.62 174.23 2hc5 n LEU 9 N 3.88 3.70 0.01 9.08 4.77 -1.26 -4.76 117.00 132.43 2hc5 n LEU 9 Ca -0.24 -3.11 -0.10 0.00 -0.03 0.00 0.00 56.01 52.53 2hc5 n LEU 9 Cb 0.52 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2hc5 n LEU 9 CO 0.24 0.74 0.71 -0.61 -1.33 0.00 0.00 177.39 177.14 2hc5 h GLN 10 N 1.47 -0.29 -0.22 3.23 -0.00 -1.99 -0.04 115.11 117.28 2hc5 h GLN 10 Ca 0.02 0.02 0.06 0.00 -0.00 0.00 0.00 58.65 58.76 2hc5 h GLN 10 Cb 1.41 0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.95 2hc5 h GLN 10 CO 0.21 -0.19 0.24 -1.35 0.00 0.00 0.00 178.83 177.75 2hc5 h PRO 11 N -0.30 0.00 0.00 -2.39 0.11 -1.99 0.29 132.00 127.72 2hc5 h PRO 11 Ca 0.09 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 2hc5 h PRO 11 Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.54 2hc5 h PRO 11 CO -0.28 0.00 -0.00 0.28 -0.21 0.00 0.00 178.00 177.79 2hc5 h VAL 12 N 0.00 1.69 -0.94 3.15 2.07 -1.50 -2.99 116.25 117.73 2hc5 h VAL 12 Ca 0.10 -2.20 0.02 0.00 0.82 0.00 0.00 66.70 65.45 2hc5 h VAL 12 Cb 0.59 3.16 -0.05 0.00 -1.52 0.00 0.00 31.29 33.47 2hc5 h VAL 12 CO -0.00 0.56 0.62 -0.50 0.02 0.00 0.00 177.57 178.26 2hc5 h TRP 13 N -0.96 1.16 -0.29 1.57 -0.00 -0.20 0.13 115.95 117.36 2hc5 h TRP 13 Ca -0.00 0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.95 2hc5 h TRP 13 Cb 0.92 -0.39 -0.03 0.00 -0.00 0.00 0.00 29.16 29.65 2hc5 h TRP 13 CO 0.25 0.71 0.09 0.22 -0.00 0.00 0.00 178.44 179.71 2hc5 h ASP 14 N 1.23 0.09 0.46 -3.49 1.82 -0.58 0.24 116.42 116.20 2hc5 h ASP 14 Ca 0.36 0.03 -0.13 0.00 -0.39 0.00 0.00 57.03 56.90 2hc5 h ASP 14 Cb -0.08 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 39.94 2hc5 h ASP 14 CO -0.09 0.09 -0.56 -0.09 -1.61 0.00 0.00 179.24 176.97 2hc5 h ARG 15 N 0.22 0.11 0.14 0.28 2.43 -1.28 -2.25 114.38 114.01 2hc5 h ARG 15 Ca 0.13 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2hc5 h ARG 15 Cb 0.11 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2hc5 h ARG 15 CO -0.14 0.64 -0.07 -0.92 -1.51 0.00 0.00 179.97 177.98 2hc5 h TYR 16 N 0.08 -0.17 -0.42 2.20 3.20 -0.12 -3.13 116.97 118.61 2hc5 h TYR 16 Ca -0.00 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 2hc5 h TYR 16 Cb 1.02 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.33 2hc5 h TYR 16 CO 0.01 0.21 -0.00 0.22 -1.64 0.00 0.00 178.16 176.96 2hc5 h ASP 17 N -0.59 0.65 0.49 -2.11 3.58 -0.55 -0.39 116.42 117.50 2hc5 h ASP 17 Ca -0.02 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2hc5 h ASP 17 Cb 0.46 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.33 2hc5 h ASP 17 CO 0.03 0.72 0.00 0.35 -2.88 0.00 0.00 179.24 177.46 2hc5 n THR 18 N -4.24 1.05 -0.12 2.25 -2.24 -0.85 -0.49 114.28 109.64 2hc5 n THR 18 Ca 0.02 0.27 -0.24 0.00 -2.27 0.00 0.00 64.05 61.83 2hc5 n THR 18 Cb 0.28 -1.07 -0.09 0.00 -2.10 0.00 0.00 70.33 67.36 2hc5 n THR 18 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hc5 n GLN 19 N -1.61 0.57 0.07 -0.78 6.02 -0.77 -4.62 117.38 116.26 2hc5 n GLN 19 Ca 0.03 0.32 0.06 0.00 -0.01 0.00 0.00 57.00 57.40 2hc5 n GLN 19 Cb 0.16 -1.53 0.50 0.00 1.02 0.00 0.00 30.24 30.39 2hc5 n GLN 19 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2hc5 h ILE 20 N -1.00 1.04 0.00 5.09 1.08 -0.79 -1.50 117.51 121.43 2hc5 h ILE 20 Ca -0.50 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 63.85 2hc5 h ILE 20 Cb 1.41 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 35.81 2hc5 h ILE 20 CO -0.30 0.07 0.00 0.00 -0.69 0.00 0.00 178.15 177.22 2hc5 n HIS 21 N -4.49 0.00 -3.87 1.37 1.44 0.36 -4.58 115.22 105.46 2hc5 n HIS 21 Ca 0.02 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.45 2hc5 n HIS 21 Cb 0.12 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.06 2hc5 n HIS 21 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 2hc5 s ASN 22 N -1.91 2.92 -0.08 4.39 2.47 -0.57 -4.93 114.94 117.23 2hc5 s ASN 22 Ca 0.36 -0.73 0.12 0.00 0.42 0.00 0.00 52.86 53.03 2hc5 s ASN 22 Cb 0.17 -0.88 0.27 0.00 -1.45 0.00 0.00 41.25 39.35 2hc5 s ASN 22 CO 0.28 -0.21 1.19 0.00 -3.72 0.00 0.00 177.10 174.64 2hc5 n GLN 23 N 4.89 2.39 -3.15 0.43 6.02 -1.26 -4.92 117.38 121.78 2hc5 n GLN 23 Ca -0.11 -2.25 -0.45 0.00 -0.01 0.00 0.00 57.00 54.18 2hc5 n GLN 23 Cb 0.47 -1.40 -0.04 0.00 1.02 0.00 0.00 30.24 30.30 2hc5 n GLN 23 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2hc5 s LYS 24 N -2.02 3.28 0.16 -1.09 1.02 -1.26 -4.98 119.74 114.85 2hc5 s LYS 24 Ca 0.24 -1.73 -0.24 0.00 0.02 0.00 0.00 55.97 54.26 2hc5 s LYS 24 Cb 0.19 -4.43 0.06 0.00 -0.52 0.00 0.00 37.83 33.13 2hc5 s LYS 24 CO 0.06 -1.50 0.78 0.34 -0.92 0.00 0.00 175.35 174.11 2hc5 s ASP 25 N 3.26 -0.34 0.38 2.83 2.15 -1.26 -5.02 116.67 118.66 2hc5 s ASP 25 Ca 0.16 -0.28 0.17 0.00 0.43 0.00 0.00 52.55 53.03 2hc5 s ASP 25 Cb -0.18 0.57 0.77 0.00 -0.30 0.00 0.00 42.92 43.78 2hc5 s ASP 25 CO -0.01 -0.99 1.80 -1.13 -0.17 0.00 0.00 175.17 174.67 2hc5 h ASN 26 N 2.00 0.00 -4.37 -0.34 -1.24 -2.04 -3.48 115.58 106.11 2hc5 h ASN 26 Ca -0.25 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.76 2hc5 h ASN 26 Cb 1.26 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.31 2hc5 h ASN 26 CO 0.29 0.37 -0.50 -0.67 -1.29 0.00 0.00 177.43 175.63 2hc5 n ASP 27 N -3.79 -5.75 0.00 1.15 2.03 -1.26 -5.04 116.55 103.89 2hc5 n ASP 27 Ca -0.01 0.67 0.00 0.00 0.52 0.00 0.00 54.79 55.97 2hc5 n ASP 27 Cb 0.44 -3.73 0.00 0.00 -0.72 0.00 0.00 41.12 37.12 2hc5 n ASP 27 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2hc5 n ASN 28 N 0.11 0.13 -3.73 1.67 2.85 -1.26 -4.89 115.26 110.15 2hc5 n ASN 28 Ca 0.03 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.08 2hc5 n ASN 28 Cb 0.11 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.14 2hc5 n ASN 28 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2hc5 n GLU 29 N -2.71 4.75 -3.32 1.20 1.02 -1.26 -4.98 120.64 115.34 2hc5 n GLU 29 Ca 0.00 -4.19 -0.38 0.00 -0.02 0.00 0.00 57.16 52.57 2hc5 n GLU 29 Cb 0.25 -2.58 -0.06 0.00 -0.02 0.00 0.00 31.44 29.03 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 -2.51 5.18 -0.38 2.62 0.11 -1.26 -5.04 120.40 119.12 2hc5 s VAL 30 Ca 0.41 0.90 -0.29 0.00 -2.93 0.00 0.00 61.98 60.07 2hc5 s VAL 30 Cb 0.14 -3.80 0.01 0.00 -1.53 0.00 0.00 36.38 31.20 2hc5 s VAL 30 CO -0.04 0.29 1.34 -2.16 -3.33 0.00 0.00 175.10 171.19 2hc5 s PRO 31 N 0.91 3.72 -0.11 1.54 0.04 -1.26 -4.89 135.00 134.95 2hc5 s PRO 31 Ca 0.24 1.01 -0.11 0.00 0.04 0.00 0.00 61.00 62.18 2hc5 s PRO 31 Cb -0.15 -3.95 -0.04 0.00 0.04 0.00 0.00 34.50 30.40 2hc5 s PRO 31 CO 0.09 -1.37 -0.22 0.28 0.04 0.00 0.00 177.00 175.82 2hc5 n VAL 32 N 6.71 0.98 -0.41 -0.36 0.31 -1.26 -4.83 118.33 119.48 2hc5 n VAL 32 Ca 0.15 0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.74 2hc5 n VAL 32 Cb 0.48 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 2hc5 n VAL 32 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2hc5 n HIS 33 N -3.77 0.00 -3.29 3.52 8.25 -1.26 -3.52 115.22 115.15 2hc5 n HIS 33 Ca -0.09 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.23 2hc5 n HIS 33 Cb 0.33 -0.68 0.01 0.00 1.12 0.00 0.00 29.99 30.77 2hc5 n HIS 33 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2hc5 n GLN 34 N -2.00 -1.66 -1.68 -0.41 7.27 -1.26 -4.77 117.38 112.87 2hc5 n GLN 34 Ca 0.00 1.39 -0.48 0.00 0.07 0.00 0.00 57.00 57.98 2hc5 n GLN 34 Cb 0.00 -4.27 -0.05 0.00 2.41 0.00 0.00 30.24 28.33 2hc5 n GLN 34 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2hc5 n VAL 35 N -1.54 0.58 -4.34 1.69 0.31 -1.23 -4.93 118.33 108.88 2hc5 n VAL 35 Ca -0.08 -0.11 -0.18 0.00 -0.01 0.00 0.00 64.34 63.96 2hc5 n VAL 35 Cb 0.57 -1.87 -0.10 0.00 -0.91 0.00 0.00 33.84 31.53 2hc5 n VAL 35 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2hc5 s SER 36 N 4.14 2.31 0.22 4.52 0.01 -1.26 -4.99 113.70 118.65 2hc5 s SER 36 Ca 0.93 -1.08 -0.07 0.00 1.31 0.00 0.00 55.95 57.04 2hc5 s SER 36 Cb -0.70 -0.09 0.31 0.00 0.21 0.00 0.00 66.02 65.76 2hc5 s SER 36 CO 0.52 -0.30 1.79 0.22 0.41 0.00 0.00 173.24 175.89 2hc5 h TYR 37 N 2.54 0.69 -0.59 2.43 3.20 -2.00 0.03 116.97 123.28 2hc5 h TYR 37 Ca -0.38 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.46 2hc5 h TYR 37 Cb 1.22 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.26 2hc5 h TYR 37 CO 0.67 0.29 0.15 1.15 -1.64 0.00 0.00 178.16 178.77 2hc5 h THR 38 N 0.67 1.24 0.02 1.81 2.02 -1.98 -2.43 112.91 114.26 2hc5 h THR 38 Ca 0.34 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 2hc5 h THR 38 Cb 0.30 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 2hc5 h THR 38 CO -0.23 0.32 -0.01 -1.13 0.37 0.00 0.00 175.52 174.83 2hc5 h ASN 39 N 0.87 -0.03 -0.10 4.18 -0.00 -1.41 -0.80 115.58 118.30 2hc5 h ASN 39 Ca 0.19 -0.25 -0.02 0.00 -0.00 0.00 0.00 56.30 56.23 2hc5 h ASN 39 Cb 0.31 0.01 -0.00 0.00 -0.00 0.00 0.00 38.32 38.63 2hc5 h ASN 39 CO -0.00 0.23 -0.00 -0.07 -0.00 0.00 0.00 177.43 177.59 2hc5 h LEU 40 N -0.29 0.17 -0.57 0.34 3.38 -1.20 0.71 115.31 117.85 2hc5 h LEU 40 Ca -0.00 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.71 2hc5 h LEU 40 Cb 0.27 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 2hc5 h LEU 40 CO 0.01 0.44 0.28 0.00 0.09 0.00 0.00 178.44 179.26 2hc5 h ALA 41 N 0.73 0.74 0.18 1.53 0.00 -1.43 0.25 119.26 121.26 2hc5 h ALA 41 Ca 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2hc5 h ALA 41 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2hc5 h ALA 41 CO 0.01 -0.07 -0.09 0.93 0.00 0.00 0.00 179.25 180.03 2hc5 h GLU 42 N 0.53 -0.23 -0.00 0.00 4.39 -1.04 -2.12 114.58 116.10 2hc5 h GLU 42 Ca 0.26 0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.83 2hc5 h GLU 42 Cb 0.19 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2hc5 h GLU 42 CO -0.19 0.05 -0.67 0.52 -1.16 0.00 0.00 179.01 177.56 2hc5 h MET 43 N -0.52 0.00 -0.16 2.33 2.86 -0.62 -2.03 114.93 116.80 2hc5 h MET 43 Ca -0.02 -0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.46 2hc5 h MET 43 Cb 0.39 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 2hc5 h MET 43 CO 0.04 0.67 -0.54 0.28 1.06 0.00 0.00 176.91 178.43 2hc5 h VAL 44 N 0.00 1.33 -0.25 -2.22 2.07 -0.58 -1.94 116.25 114.67 2hc5 h VAL 44 Ca -0.01 -1.79 -0.00 0.00 0.82 0.00 0.00 66.70 65.72 2hc5 h VAL 44 Cb 1.19 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 2hc5 h VAL 44 CO 0.09 0.55 0.15 1.23 0.02 0.00 0.00 177.57 179.61 2hc5 h GLY 45 N 1.16 0.37 2.00 2.17 0.00 -0.85 -2.47 103.07 105.45 2hc5 h GLY 45 Ca 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 2hc5 h GLY 45 CO 0.10 0.15 -0.12 1.05 0.00 0.00 0.00 176.54 177.72 2hc5 h GLU 46 N 0.31 0.00 -0.34 4.80 4.11 -1.38 -2.73 114.58 119.35 2hc5 h GLU 46 Ca 0.09 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.45 2hc5 h GLU 46 Cb 0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2hc5 h GLU 46 CO -0.02 0.12 -0.07 1.98 0.07 0.00 0.00 179.01 181.09 2hc5 h MET 47 N 0.00 0.57 0.00 1.06 4.05 -0.90 -2.02 114.93 117.69 2hc5 h MET 47 Ca -0.00 -0.15 -0.06 0.00 -0.28 0.00 0.00 59.70 59.20 2hc5 h MET 47 Cb 0.77 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.50 2hc5 h MET 47 CO 0.02 0.64 -0.31 -0.91 0.23 0.00 0.00 176.91 176.58 2hc5 h ASN 48 N 0.53 0.00 -0.29 1.39 2.35 -1.16 -2.63 115.58 115.78 2hc5 h ASN 48 Ca 0.10 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.75 2hc5 h ASN 48 Cb 0.45 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 2hc5 h ASN 48 CO 0.02 0.31 -0.16 0.11 -1.65 0.00 0.00 177.43 176.06 2hc5 h LYS 49 N 0.00 0.73 -0.33 0.81 1.57 -1.40 -2.78 116.57 115.16 2hc5 h LYS 49 Ca -0.00 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.45 2hc5 h LYS 49 Cb 0.66 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 2hc5 h LYS 49 CO 0.04 0.85 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.64 2hc5 h LEU 50 N 0.65 0.51 -2.14 2.94 3.38 -1.32 -3.06 115.31 116.27 2hc5 h LEU 50 Ca 0.10 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2hc5 h LEU 50 Cb 0.64 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2hc5 h LEU 50 CO 0.04 0.63 0.00 0.18 0.09 0.00 0.00 178.44 179.38 2hc5 n LEU 51 N -4.24 2.45 0.13 1.67 4.32 -1.22 -4.53 117.00 115.59 2hc5 n LEU 51 Ca 0.01 -1.49 -0.14 0.00 -0.02 0.00 0.00 56.01 54.38 2hc5 n LEU 51 Cb 0.29 -0.12 -0.08 0.00 -1.62 0.00 0.00 43.42 41.89 2hc5 n LEU 51 CO 0.40 0.55 0.74 -0.08 -1.22 0.00 0.00 177.39 177.78 2hc5 h GLU 52 N 2.20 -0.26 -0.98 3.23 4.22 -1.38 -3.03 114.58 118.58 2hc5 h GLU 52 Ca 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.45 2hc5 h GLU 52 Cb 0.61 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2hc5 h GLU 52 CO 0.00 -0.08 0.01 -0.35 -2.18 0.00 0.00 179.01 176.41 2hc5 n PRO 53 N -5.15 1.22 -4.72 0.92 -0.04 -1.26 -4.78 135.00 121.19 2hc5 n PRO 53 Ca -0.09 -0.21 -0.32 0.00 -0.04 0.00 0.00 63.50 62.83 2hc5 n PRO 53 Cb 0.17 -1.41 -0.08 0.00 -0.04 0.00 0.00 33.50 32.14 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 0.21 4.12 0.11 3.54 1.04 -1.16 -3.36 113.70 118.20 2hc5 s SER 54 Ca 0.04 -1.61 -0.03 0.00 0.48 0.00 0.00 55.95 54.83 2hc5 s SER 54 Cb 0.03 0.41 -0.18 0.00 0.10 0.00 0.00 66.02 66.39 2hc5 s SER 54 CO 0.01 -0.81 1.24 1.56 0.98 0.00 0.00 173.24 176.21 2hc5 h GLN 55 N 1.38 0.28 -0.47 4.02 1.08 -1.44 -3.30 115.11 116.67 2hc5 h GLN 55 Ca -0.44 -0.39 -0.04 0.00 -1.45 0.00 0.00 58.65 56.33 2hc5 h GLN 55 Cb 1.31 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.85 2hc5 h GLN 55 CO 0.74 1.13 0.14 -0.39 -0.95 0.00 0.00 178.83 179.51 2hc5 h VAL 56 N 0.12 1.19 -5.31 -0.54 -1.51 -1.78 -3.46 116.25 104.96 2hc5 h VAL 56 Ca -0.10 -0.65 -0.38 0.00 -1.23 0.00 0.00 66.70 64.34 2hc5 h VAL 56 Cb 1.77 0.68 -0.06 0.00 -2.13 0.00 0.00 31.29 31.55 2hc5 h VAL 56 CO 0.18 0.25 -0.56 1.41 -1.23 0.00 0.00 177.57 177.61 2hc5 n HIS 57 N -4.32 -1.80 -1.65 5.19 8.25 -1.17 -3.07 115.22 116.64 2hc5 n HIS 57 Ca 0.03 0.47 -0.45 0.00 -0.26 0.00 0.00 57.72 57.52 2hc5 n HIS 57 Cb 0.19 -3.13 -0.02 0.00 1.12 0.00 0.00 29.99 28.15 2hc5 n HIS 57 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2hc5 n LEU 58 N -3.75 2.75 -4.66 2.41 4.32 -1.26 -4.28 117.00 112.53 2hc5 n LEU 58 Ca -0.03 1.17 -0.37 0.00 -0.02 0.00 0.00 56.01 56.77 2hc5 n LEU 58 Cb 0.55 -1.39 -0.09 0.00 -1.62 0.00 0.00 43.42 40.87 2hc5 n LEU 58 CO 0.50 -0.79 -0.15 -0.54 -1.22 0.00 0.00 177.39 175.20 2hc5 s LYS 59 N -1.09 4.09 -0.25 3.23 1.02 0.13 -4.87 119.74 122.00 2hc5 s LYS 59 Ca 0.63 -0.22 -0.03 0.00 0.02 0.00 0.00 55.97 56.37 2hc5 s LYS 59 Cb -0.66 -3.53 0.02 0.00 -0.52 0.00 0.00 37.83 33.13 2hc5 s LYS 59 CO 0.56 0.06 -0.04 -0.06 -0.92 0.00 0.00 175.35 174.95 2hc5 s PHE 60 N 1.06 3.05 -0.04 3.18 0.08 -1.26 -0.31 117.98 123.74 2hc5 s PHE 60 Ca 0.09 -1.35 0.07 0.00 0.12 0.00 0.00 56.93 55.85 2hc5 s PHE 60 Cb -0.14 -2.09 -0.02 0.00 -0.57 0.00 0.00 43.02 40.20 2hc5 s PHE 60 CO 0.05 -0.67 -0.24 -1.21 -0.10 0.00 0.00 175.22 173.04 2hc5 s GLU 61 N 1.38 2.36 -0.34 0.44 0.41 -0.96 -4.94 118.70 117.04 2hc5 s GLU 61 Ca 0.02 -0.89 -0.21 0.00 -0.41 0.00 0.00 54.97 53.48 2hc5 s GLU 61 Cb -0.16 -2.14 0.00 0.00 -1.78 0.00 0.00 34.13 30.05 2hc5 s GLU 61 CO -0.03 0.49 0.67 -1.17 -0.49 0.00 0.00 175.26 174.72 2hc5 s LEU 62 N -0.42 4.19 -0.04 1.80 2.96 -1.26 -0.72 118.68 125.18 2hc5 s LEU 62 Ca 0.04 0.29 0.05 0.00 -0.22 0.00 0.00 54.13 54.29 2hc5 s LEU 62 Cb -0.12 -2.85 -0.01 0.00 0.50 0.00 0.00 46.19 43.71 2hc5 s LEU 62 CO 0.01 -0.59 -0.19 -1.00 -1.32 0.00 0.00 176.35 173.26 2hc5 s HIS 63 N 2.76 1.90 0.60 5.38 3.76 -0.37 -4.96 115.29 124.38 2hc5 s HIS 63 Ca 0.26 -0.53 0.08 0.00 -0.15 0.00 0.00 55.06 54.73 2hc5 s HIS 63 Cb -0.14 -1.26 0.10 0.00 1.11 0.00 0.00 32.58 32.38 2hc5 s HIS 63 CO 0.14 -0.16 0.83 -0.40 -0.85 0.00 0.00 174.74 174.30 2hc5 n ASP 64 N 3.03 2.00 0.00 1.40 5.75 -1.26 -0.85 116.55 126.62 2hc5 n ASP 64 Ca -0.18 -2.48 0.00 0.00 -0.01 0.00 0.00 54.79 52.12 2hc5 n ASP 64 Cb 0.53 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 2hc5 n ASP 64 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 2hc5 n LYS 65 N -2.34 0.00 -0.08 0.11 2.85 -1.21 -4.90 118.16 112.58 2hc5 n LYS 65 Ca 0.16 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.40 2hc5 n LYS 65 Cb 0.60 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.95 2hc5 n LYS 65 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 2hc5 h LEU 66 N 0.00 -0.51 0.00 -5.58 3.38 -2.06 -3.42 115.31 107.12 2hc5 h LEU 66 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2hc5 h LEU 66 Cb 0.00 0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2hc5 h LEU 66 CO 0.00 -0.07 -0.20 -3.20 0.09 0.00 0.00 178.44 175.06 2hc5 n ASN 67 N -3.50 0.95 -4.56 -0.43 2.85 -1.26 -5.03 115.26 104.29 2hc5 n ASN 67 Ca 0.00 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.06 2hc5 n ASN 67 Cb 0.07 0.07 -0.03 0.00 1.24 0.00 0.00 39.78 41.13 2hc5 n ASN 67 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2hc5 s GLU 68 N -1.20 3.29 -0.64 1.20 2.02 -1.26 -4.96 118.70 117.15 2hc5 s GLU 68 Ca 0.00 -0.11 -0.24 0.00 0.02 0.00 0.00 54.97 54.64 2hc5 s GLU 68 Cb 0.00 -4.13 0.05 0.00 0.10 0.00 0.00 34.13 30.15 2hc5 s GLU 68 CO 0.00 -1.98 1.03 1.52 0.02 0.00 0.00 175.26 175.85 2hc5 s TYR 69 N 5.41 2.63 0.49 1.61 1.13 -1.26 -3.30 117.35 124.06 2hc5 s TYR 69 Ca 0.37 -0.23 0.07 0.00 -1.41 0.00 0.00 57.07 55.86 2hc5 s TYR 69 Cb -0.08 -4.30 0.01 0.00 -1.10 0.00 0.00 41.96 36.49 2hc5 s TYR 69 CO 0.18 -1.64 0.40 1.52 -2.51 0.00 0.00 175.55 173.51 2hc5 s TYR 70 N 4.40 2.05 -0.17 -3.49 -0.85 -0.03 -4.69 117.35 114.58 2hc5 s TYR 70 Ca 0.28 -0.70 -0.07 0.00 -0.52 0.00 0.00 57.07 56.06 2hc5 s TYR 70 Cb -0.13 -2.02 -0.04 0.00 0.38 0.00 0.00 41.96 40.14 2hc5 s TYR 70 CO 0.15 -0.35 0.07 0.08 -1.52 0.00 0.00 175.55 173.98 2hc5 s VAL 71 N -2.65 4.85 -0.17 -3.49 1.01 -0.82 -1.23 120.40 117.90 2hc5 s VAL 71 Ca 0.41 -0.01 -0.08 0.00 0.00 0.00 0.00 61.98 62.30 2hc5 s VAL 71 Cb -0.02 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2hc5 s VAL 71 CO 0.25 0.48 0.09 -0.54 0.00 0.00 0.00 175.10 175.38 2hc5 s LYS 72 N 0.19 3.93 -0.35 2.72 1.02 0.10 -1.04 119.74 126.31 2hc5 s LYS 72 Ca 0.05 -0.27 -0.13 0.00 0.02 0.00 0.00 55.97 55.63 2hc5 s LYS 72 Cb -0.12 -3.26 -0.01 0.00 -0.52 0.00 0.00 37.83 33.92 2hc5 s LYS 72 CO 0.00 0.37 0.25 0.08 -0.92 0.00 0.00 175.35 175.14 2hc5 s VAL 73 N 0.11 5.25 -0.22 3.17 1.01 0.94 -2.28 120.40 128.39 2hc5 s VAL 73 Ca 0.07 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 2hc5 s VAL 73 Cb -0.12 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 2hc5 s VAL 73 CO -0.00 -0.06 -0.05 -0.63 0.00 0.00 0.00 175.10 174.36 2hc5 s ILE 74 N 1.71 3.33 -0.09 2.22 1.01 0.58 -0.74 121.20 129.21 2hc5 s ILE 74 Ca 0.06 -0.53 -0.30 0.00 0.00 0.00 0.00 60.65 59.88 2hc5 s ILE 74 Cb -0.18 -2.52 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 2hc5 s ILE 74 CO 0.10 0.41 1.15 -0.70 0.00 0.00 0.00 174.94 175.90 2hc5 s GLU 75 N 1.47 4.35 0.18 2.79 -6.30 -0.77 0.20 118.70 120.62 2hc5 s GLU 75 Ca 0.05 1.58 -0.10 0.00 -2.50 0.00 0.00 54.97 54.00 2hc5 s GLU 75 Cb -0.14 -3.58 0.09 0.00 0.00 0.00 0.00 34.13 30.50 2hc5 s GLU 75 CO -0.04 -0.46 1.71 0.22 0.02 0.00 0.00 175.26 176.72 2hc5 h ASP 76 N 7.45 0.95 -0.44 -1.70 3.58 -1.72 0.66 116.42 125.21 2hc5 h ASP 76 Ca -0.31 -0.21 -0.07 0.00 0.42 0.00 0.00 57.03 56.86 2hc5 h ASP 76 Cb 1.14 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.92 2hc5 h ASP 76 CO 0.89 0.91 0.04 -1.28 -2.88 0.00 0.00 179.24 176.92 2hc5 h SER 77 N 0.94 0.78 0.59 2.28 0.87 -1.90 -2.77 113.55 114.34 2hc5 h SER 77 Ca 0.21 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 2hc5 h SER 77 Cb 0.30 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 2hc5 h SER 77 CO -0.01 0.83 -1.44 0.35 -0.53 0.00 0.00 176.83 176.03 2hc5 n THR 78 N -4.23 0.50 -2.67 2.23 -2.24 -1.10 -4.97 114.28 101.80 2hc5 n THR 78 Ca 0.03 -0.56 -0.20 0.00 -2.27 0.00 0.00 64.05 61.05 2hc5 n THR 78 Cb 0.28 -0.27 0.01 0.00 -2.10 0.00 0.00 70.33 68.25 2hc5 n THR 78 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2hc5 n ASN 79 N -2.56 -5.54 -4.37 3.42 3.02 0.23 -4.98 115.26 104.47 2hc5 n ASN 79 Ca -0.04 -0.10 -0.22 0.00 -0.03 0.00 0.00 54.58 54.19 2hc5 n ASN 79 Cb 0.61 -4.57 -0.11 0.00 -0.61 0.00 0.00 39.78 35.10 2hc5 n ASN 79 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2hc5 s GLU 80 N -5.32 1.40 -0.46 3.52 -1.05 -1.21 -4.93 118.70 110.63 2hc5 s GLU 80 Ca 0.12 -1.52 -0.27 0.00 -0.15 0.00 0.00 54.97 53.15 2hc5 s GLU 80 Cb -0.06 -1.45 0.03 0.00 -0.44 0.00 0.00 34.13 32.21 2hc5 s GLU 80 CO 0.15 0.29 1.01 0.08 0.95 0.00 0.00 175.26 177.74 2hc5 s VAL 81 N -2.23 4.37 -1.09 1.83 1.01 -1.26 -1.85 120.40 121.17 2hc5 s VAL 81 Ca 0.20 0.96 0.22 0.00 0.00 0.00 0.00 61.98 63.37 2hc5 s VAL 81 Cb -0.05 -4.50 -0.13 0.00 0.00 0.00 0.00 36.38 31.70 2hc5 s VAL 81 CO 0.09 -0.89 1.09 2.30 0.00 0.00 0.00 175.10 177.68 2hc5 n ILE 82 N 6.57 0.00 -3.65 2.22 -5.35 0.08 -4.93 119.36 114.30 2hc5 n ILE 82 Ca 0.09 -0.02 -0.14 0.00 -0.27 0.00 0.00 62.75 62.41 2hc5 n ILE 82 Cb 0.49 0.77 -0.08 0.00 -1.74 0.00 0.00 39.64 39.08 2hc5 n ILE 82 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2hc5 s ARG 83 N -2.95 0.77 -0.15 6.28 6.06 -1.16 -5.02 118.95 122.77 2hc5 s ARG 83 Ca 0.10 0.89 0.01 0.00 -2.50 0.00 0.00 55.73 54.23 2hc5 s ARG 83 Cb 0.17 0.37 0.02 0.00 0.06 0.00 0.00 34.95 35.57 2hc5 s ARG 83 CO 0.79 -0.09 -0.15 -1.21 -2.50 0.00 0.00 175.30 172.13 2hc5 s GLU 84 N 0.32 2.45 -0.25 5.12 2.02 -1.26 -0.04 118.70 127.06 2hc5 s GLU 84 Ca -0.00 -0.62 -0.05 0.00 0.02 0.00 0.00 54.97 54.32 2hc5 s GLU 84 Cb -0.04 -2.21 -0.00 0.00 0.10 0.00 0.00 34.13 31.98 2hc5 s GLU 84 CO 0.01 -0.23 0.00 0.42 0.02 0.00 0.00 175.26 175.49 2hc5 s ILE 85 N 1.43 3.62 0.41 -1.63 1.09 -0.20 -5.01 121.20 120.91 2hc5 s ILE 85 Ca 0.05 -0.54 -0.25 0.00 -1.10 0.00 0.00 60.65 58.81 2hc5 s ILE 85 Cb -0.13 -2.73 -0.08 0.00 -1.06 0.00 0.00 42.46 38.46 2hc5 s ILE 85 CO -0.11 0.30 1.20 -2.16 -0.10 0.00 0.00 174.94 174.07 2hc5 s PRO 86 N 1.49 3.99 0.54 2.79 0.04 -1.26 -1.94 135.00 140.65 2hc5 s PRO 86 Ca 0.05 1.91 0.26 0.00 0.04 0.00 0.00 61.00 63.25 2hc5 s PRO 86 Cb -0.15 -2.66 1.42 0.00 0.04 0.00 0.00 34.50 33.14 2hc5 s PRO 86 CO -0.01 -0.39 1.99 -1.00 0.04 0.00 0.00 177.00 177.63 2hc5 h PRO 87 N 2.58 0.00 0.00 0.56 0.13 -1.96 0.77 132.00 134.07 2hc5 h PRO 87 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2hc5 h PRO 87 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2hc5 h PRO 87 CO 0.62 0.00 0.00 1.57 -0.23 0.00 0.00 178.00 179.96 2hc5 h LYS 88 N 0.00 0.00 0.00 0.86 2.10 -1.98 -2.35 116.57 115.20 2hc5 h LYS 88 Ca 0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 2hc5 h LYS 88 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 2hc5 h LYS 88 CO -0.00 0.00 0.00 0.54 -2.00 0.00 0.00 179.45 177.99 2hc5 n ARG 89 N -2.63 2.32 0.07 0.07 1.74 0.20 -4.72 116.66 113.72 2hc5 n ARG 89 Ca 0.01 -1.33 -0.05 0.00 -0.77 0.00 0.00 57.85 55.71 2hc5 n ARG 89 Cb 0.25 -1.00 0.14 0.00 -1.02 0.00 0.00 32.46 30.83 2hc5 n ARG 89 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 2hc5 h TRP 90 N 0.00 0.38 -0.67 -1.55 2.91 -0.83 -3.14 115.95 113.06 2hc5 h TRP 90 Ca 0.00 -0.13 -0.07 0.00 1.13 0.00 0.00 58.89 59.82 2hc5 h TRP 90 Cb 0.42 -0.07 -0.03 0.00 -0.51 0.00 0.00 29.16 28.96 2hc5 h TRP 90 CO 0.00 0.76 0.13 -0.07 -1.03 0.00 0.00 178.44 178.23 2hc5 h LEU 91 N 0.24 1.04 -0.25 0.65 -0.00 -1.85 0.19 115.31 115.34 2hc5 h LEU 91 Ca 0.01 -0.23 -0.21 0.00 -0.00 0.00 0.00 57.88 57.45 2hc5 h LEU 91 Cb 1.00 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 41.38 2hc5 h LEU 91 CO 0.08 1.02 -0.90 0.44 -0.00 0.00 0.00 178.44 179.08 2hc5 h ASP 92 N 1.02 0.33 -0.65 -0.43 3.32 -1.91 -2.18 116.42 115.92 2hc5 h ASP 92 Ca 0.21 -0.27 -0.07 0.00 0.02 0.00 0.00 57.03 56.92 2hc5 h ASP 92 Cb 0.41 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 2hc5 h ASP 92 CO 0.01 1.07 0.12 0.15 -1.72 0.00 0.00 179.24 178.87 2hc5 h PHE 93 N 0.14 1.13 0.21 4.55 3.57 -1.39 -0.45 116.94 124.69 2hc5 h PHE 93 Ca -0.05 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.30 2hc5 h PHE 93 Cb 1.53 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 2hc5 h PHE 93 CO 0.04 0.95 -0.25 -0.92 -2.23 0.00 0.00 178.31 175.89 2hc5 h TYR 94 N 0.99 -0.67 -0.38 0.41 3.20 -0.54 -1.95 116.97 118.03 2hc5 h TYR 94 Ca 0.20 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.12 2hc5 h TYR 94 Cb 0.41 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.91 2hc5 h TYR 94 CO 0.03 -0.36 0.15 0.00 -1.64 0.00 0.00 178.16 176.34 2hc5 h ALA 95 N 0.18 0.45 -0.93 1.82 0.00 -1.23 -0.07 119.26 119.47 2hc5 h ALA 95 Ca 0.01 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.04 2hc5 h ALA 95 Cb 0.49 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 2hc5 h ALA 95 CO -0.08 -0.23 0.60 0.00 0.00 0.00 0.00 179.25 179.53 2hc5 h ALA 96 N 1.23 1.58 0.05 0.00 0.00 -0.89 -0.23 119.26 121.00 2hc5 h ALA 96 Ca 0.17 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2hc5 h ALA 96 Cb 0.12 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.70 2hc5 h ALA 96 CO -0.15 0.24 -0.40 1.98 0.00 0.00 0.00 179.25 180.92 2hc5 h MET 97 N 0.95 0.19 -0.86 0.00 -1.53 -0.79 -3.27 114.93 109.62 2hc5 h MET 97 Ca 0.43 -0.26 -0.03 0.00 -3.44 0.00 0.00 59.70 56.40 2hc5 h MET 97 Cb 0.38 0.09 -0.04 0.00 -0.55 0.00 0.00 31.60 31.48 2hc5 h MET 97 CO -0.19 1.06 0.43 1.15 0.14 0.00 0.00 176.91 179.50 2hc5 h THR 98 N -0.56 1.26 -0.56 -0.77 2.02 -0.69 0.37 112.91 113.98 2hc5 h THR 98 Ca -0.06 -0.71 0.01 0.00 0.77 0.00 0.00 66.41 66.42 2hc5 h THR 98 Cb 1.24 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 2hc5 h THR 98 CO 0.08 0.31 0.37 -0.33 0.37 0.00 0.00 175.52 176.32 2hc5 h GLU 99 N 1.22 0.74 0.00 6.66 5.08 -1.18 0.56 114.58 127.65 2hc5 h GLU 99 Ca 0.30 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 2hc5 h GLU 99 Cb 0.10 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 2hc5 h GLU 99 CO -0.04 0.49 -0.21 0.35 -1.00 0.00 0.00 179.01 178.60 2hc5 h PHE 100 N 0.76 0.00 -0.76 4.33 3.57 -1.41 -3.36 116.94 120.06 2hc5 h PHE 100 Ca 0.21 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 2hc5 h PHE 100 Cb -0.08 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 2hc5 h PHE 100 CO -0.00 0.34 0.26 -0.07 -2.23 0.00 0.00 178.31 176.60 2hc5 h LEU 101 N -1.00 1.10 0.00 0.59 -0.00 -0.27 -2.42 115.31 113.30 2hc5 h LEU 101 Ca -0.03 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.65 2hc5 h LEU 101 Cb 0.42 -0.29 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 2hc5 h LEU 101 CO -0.02 1.00 0.00 0.61 -0.00 0.00 0.00 178.44 180.03 2hc5 n GLY 102 N -0.79 -0.96 0.14 0.83 0.00 0.18 -0.93 105.19 103.66 2hc5 n GLY 102 Ca 0.06 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2hc5 n GLY 102 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2hc5 h LEU 103 N 0.00 0.00 0.00 0.99 3.38 -1.58 -3.31 115.31 114.79 2hc5 h LEU 103 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2hc5 h LEU 103 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2hc5 h LEU 103 CO 0.00 0.43 -1.07 -0.26 0.09 0.00 0.00 178.44 177.64 2hc5 h PHE 104 N 0.00 0.00 -4.43 1.13 -1.00 -1.11 -3.48 116.94 108.05 2hc5 h PHE 104 Ca -0.03 0.00 -0.48 0.00 2.81 0.00 0.00 57.97 60.27 2hc5 h PHE 104 Cb 1.36 0.00 0.10 0.00 3.61 0.00 0.00 35.95 41.01 2hc5 h PHE 104 CO 0.00 0.27 0.38 0.14 -1.61 0.00 0.00 178.31 177.49 2hc5 s VAL 105 N -3.15 2.94 -0.36 -0.55 -7.23 -0.99 -4.62 120.40 106.45 2hc5 s VAL 105 Ca -0.01 0.30 -0.29 0.00 -1.81 0.00 0.00 61.98 60.18 2hc5 s VAL 105 Cb 0.09 -3.21 -0.08 0.00 0.56 0.00 0.00 36.38 33.74 2hc5 s VAL 105 CO 0.79 -0.40 2.30 -0.67 -0.31 0.00 0.00 175.10 176.81 2hc5 n ASP 106 N -3.26 2.62 -0.18 4.85 2.03 -1.26 -4.79 116.55 116.57 2hc5 n ASP 106 Ca 0.07 0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.42 2hc5 n ASP 106 Cb 0.58 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 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 8.71 0.00 -0.04 -0.67 2.13 -1.26 0.26 120.64 129.77 2hc5 n GLU 107 Ca 0.36 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.18 2hc5 n GLU 107 Cb 0.41 -0.95 -0.11 0.00 0.27 0.00 0.00 31.44 31.06 2hc5 n GLU 107 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2hc5 n LYS 108 N -0.09 1.10 -0.47 5.31 5.02 -1.26 -4.52 118.16 123.25 2hc5 n LYS 108 Ca 0.00 -0.07 0.09 0.00 -2.02 0.00 0.00 58.31 56.31 2hc5 n LYS 108 Cb 0.00 -1.36 0.30 0.00 -0.02 0.00 0.00 35.03 33.95 2hc5 n LYS 108 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2hc5 n LYS 109 N -2.28 3.07 0.24 1.97 4.01 0.14 -4.14 118.16 121.17 2hc5 n LYS 109 Ca -0.13 -2.38 0.14 0.00 -0.51 0.00 0.00 58.31 55.44 2hc5 n LYS 109 Cb 0.68 -1.71 0.40 0.00 -0.51 0.00 0.00 35.03 33.90 2hc5 n LYS 109 CO 0.00 0.00 0.00 1.37 -1.11 0.00 0.00 177.40 177.66 2hc5 h LEU 110 N 3.54 0.00 0.00 -0.35 -0.00 -1.79 -3.47 115.31 113.24 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 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.80 2hc5 h LEU 110 CO 0.14 0.00 0.00 1.21 -0.00 0.00 0.00 178.44 179.79 2hc5 n GLU 111 N -3.04 0.00 -2.50 0.17 2.13 -1.26 -4.86 120.64 111.27 2hc5 n GLU 111 Ca 0.03 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.42 2hc5 n GLU 111 Cb 0.42 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.11 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 2.83 0.30 4.31 3.76 -1.26 -5.01 115.29 120.21 2hc5 s HIS 112 Ca 0.00 0.94 -0.17 0.00 -0.15 0.00 0.00 55.06 55.68 2hc5 s HIS 112 Cb 0.00 -3.92 -0.09 0.00 1.11 0.00 0.00 32.58 29.68 2hc5 s HIS 112 CO 0.00 -1.40 0.76 -3.38 -0.85 0.00 0.00 174.74 169.87 2hc5 s HIS 113 N 4.21 3.47 0.07 1.40 -3.43 -1.26 -4.72 115.29 115.03 2hc5 s HIS 113 Ca 0.52 1.33 0.00 0.00 -0.80 0.00 0.00 55.06 56.11 2hc5 s HIS 113 Cb -0.14 -2.60 0.00 0.00 -1.43 0.00 0.00 32.58 28.40 2hc5 s HIS 113 CO 0.22 0.16 0.00 0.72 -2.00 0.00 0.00 174.74 173.84 2hc5 n HIS 114 N -0.02 -3.22 -1.99 0.38 8.25 -1.26 -5.06 115.22 112.31 2hc5 n HIS 114 Ca 0.02 1.92 -0.20 0.00 -0.26 0.00 0.00 57.72 59.20 2hc5 n HIS 114 Cb 0.52 -3.17 0.13 0.00 1.12 0.00 0.00 29.99 28.60 2hc5 n HIS 114 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2hc5 n HIS 115 N 1.22 -3.65 -4.42 4.41 -0.00 -1.26 -5.10 115.22 106.42 2hc5 n HIS 115 Ca 0.00 -1.04 -0.24 0.00 -0.00 0.00 0.00 57.72 56.44 2hc5 n HIS 115 Cb 0.00 -0.69 -0.09 0.00 -0.00 0.00 0.00 29.99 29.21 2hc5 n HIS 115 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2hc5 s HIS 116 N -2.85 2.42 0.00 4.41 -3.43 -1.26 -5.25 115.29 109.33 2hc5 s HIS 116 Ca 0.54 -0.33 0.00 0.00 -0.80 0.00 0.00 55.06 54.47 2hc5 s HIS 116 Cb -0.02 -1.13 0.00 0.00 -1.43 0.00 0.00 32.58 30.00 2hc5 s HIS 116 CO 0.37 0.66 0.00 1.58 -2.00 0.00 0.00 174.74 175.35