#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hc5 s ASN 2 N 0.00 4.56 -0.02 -1.43 3.84 -1.26 -4.95 114.94 115.68 2hc5 s ASN 2 Ca 0.00 -0.29 0.15 0.00 0.21 0.00 0.00 52.86 52.93 2hc5 s ASN 2 Cb 0.00 -1.78 -0.23 0.00 -0.55 0.00 0.00 41.25 38.70 2hc5 s ASN 2 CO 0.00 0.03 0.36 0.00 -2.79 0.00 0.00 177.10 174.70 2hc5 n ILE 3 N 4.44 0.00 0.19 -5.21 3.06 -1.26 -4.39 119.36 116.19 2hc5 n ILE 3 Ca -0.18 -0.32 0.13 0.00 -2.50 0.00 0.00 62.75 59.88 2hc5 n ILE 3 Cb 0.51 0.24 0.71 0.00 0.54 0.00 0.00 39.64 41.64 2hc5 n ILE 3 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 2hc5 h GLU 4 N 0.00 0.00 -0.07 9.51 5.08 -1.92 -1.51 114.58 125.67 2hc5 h GLU 4 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2hc5 h GLU 4 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2hc5 h GLU 4 CO 0.00 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.55 2hc5 n ARG 5 N -4.32 2.05 -2.05 2.33 1.74 -1.26 -4.06 116.66 111.09 2hc5 n ARG 5 Ca 0.01 -1.40 -0.43 0.00 -0.77 0.00 0.00 57.85 55.26 2hc5 n ARG 5 Cb 0.24 -1.07 -0.03 0.00 -1.02 0.00 0.00 32.46 30.59 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 -0.81 3.83 0.00 0.55 2.96 -0.57 -4.71 118.68 119.94 2hc5 s LEU 6 Ca 0.06 1.63 0.00 0.00 -0.22 0.00 0.00 54.13 55.60 2hc5 s LEU 6 Cb 0.03 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.19 2hc5 s LEU 6 CO 0.04 -1.36 0.00 0.41 -1.32 0.00 0.00 176.35 174.13 2hc5 n THR 7 N 6.60 0.00 -3.99 3.68 -1.04 -1.26 -0.49 114.28 117.78 2hc5 n THR 7 Ca 0.20 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.89 2hc5 n THR 7 Cb 0.45 -0.97 -0.06 0.00 -1.82 0.00 0.00 70.33 67.93 2hc5 n THR 7 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2hc5 s THR 8 N -2.00 5.09 -0.37 12.58 -1.32 -1.26 -4.37 115.64 124.00 2hc5 s THR 8 Ca 0.00 -0.35 0.06 0.00 -1.21 0.00 0.00 61.69 60.20 2hc5 s THR 8 Cb 0.00 -3.39 0.58 0.00 -1.51 0.00 0.00 72.50 68.18 2hc5 s THR 8 CO 0.00 0.28 1.68 0.18 -2.21 0.00 0.00 174.62 174.55 2hc5 n LEU 9 N 0.87 5.35 -0.15 9.08 4.77 -1.26 -4.78 117.00 130.87 2hc5 n LEU 9 Ca -0.10 -3.72 -0.09 0.00 -0.03 0.00 0.00 56.01 52.07 2hc5 n LEU 9 Cb 0.52 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 2hc5 n LEU 9 CO 0.43 1.18 0.59 -0.61 -1.33 0.00 0.00 177.39 177.65 2hc5 h GLN 10 N 1.01 -0.27 0.00 3.23 5.75 -1.99 0.18 115.11 123.02 2hc5 h GLN 10 Ca 0.42 0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.91 2hc5 h GLN 10 Cb 2.21 0.06 -0.00 0.00 1.07 0.00 0.00 27.48 30.82 2hc5 h GLN 10 CO 0.73 -0.18 -0.11 -1.35 -2.65 0.00 0.00 178.83 175.27 2hc5 h PRO 11 N -0.28 0.00 -0.14 -2.39 0.11 -1.99 -1.21 132.00 126.10 2hc5 h PRO 11 Ca 0.16 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.16 2hc5 h PRO 11 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 2hc5 h PRO 11 CO -0.61 0.11 -0.37 0.28 -0.21 0.00 0.00 178.00 177.20 2hc5 h VAL 12 N 0.00 1.36 -0.75 3.15 2.07 -1.38 -1.62 116.25 119.08 2hc5 h VAL 12 Ca -0.00 -1.65 -0.04 0.00 0.82 0.00 0.00 66.70 65.83 2hc5 h VAL 12 Cb 0.28 2.04 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 2hc5 h VAL 12 CO 0.01 0.50 0.31 -0.50 0.02 0.00 0.00 177.57 177.91 2hc5 h TRP 13 N 0.11 1.14 -0.07 1.57 4.06 -0.41 0.23 115.95 122.58 2hc5 h TRP 13 Ca -0.01 -0.08 0.02 0.00 2.06 0.00 0.00 58.89 60.89 2hc5 h TRP 13 Cb 0.98 -0.34 -0.03 0.00 -1.00 0.00 0.00 29.16 28.77 2hc5 h TRP 13 CO 0.10 0.87 -0.08 -0.44 -3.56 0.00 0.00 178.44 175.33 2hc5 h ASP 14 N 1.08 -0.24 -0.29 -3.49 3.32 -1.21 0.13 116.42 115.73 2hc5 h ASP 14 Ca 0.25 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 2hc5 h ASP 14 Cb 0.21 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2hc5 h ASP 14 CO -0.02 -0.11 0.10 0.03 -1.72 0.00 0.00 179.24 177.52 2hc5 h ARG 15 N -0.10 0.44 -0.62 3.56 3.08 -0.96 -1.41 114.38 118.37 2hc5 h ARG 15 Ca 0.06 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2hc5 h ARG 15 Cb 0.18 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 2hc5 h ARG 15 CO -0.13 0.48 0.40 -0.92 -1.07 0.00 0.00 179.97 178.73 2hc5 h TYR 16 N 0.31 0.79 -0.34 3.04 3.20 -0.38 0.20 116.97 123.80 2hc5 h TYR 16 Ca 0.10 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 2hc5 h TYR 16 Cb 0.21 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 2hc5 h TYR 16 CO 0.00 0.51 0.20 0.22 -1.64 0.00 0.00 178.16 177.44 2hc5 h ASP 17 N 0.84 0.41 0.96 -2.11 3.58 -0.87 0.27 116.42 119.50 2hc5 h ASP 17 Ca 0.23 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2hc5 h ASP 17 Cb -0.08 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 40.87 2hc5 h ASP 17 CO -0.05 0.35 0.00 1.07 -2.88 0.00 0.00 179.24 177.74 2hc5 n THR 18 N -4.81 0.18 0.72 2.25 5.66 -0.54 -1.92 114.28 115.82 2hc5 n THR 18 Ca -0.01 0.02 0.09 0.00 -3.05 0.00 0.00 64.05 61.10 2hc5 n THR 18 Cb 0.06 -0.58 -0.12 0.00 -1.55 0.00 0.00 70.33 68.14 2hc5 n THR 18 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2hc5 n GLN 19 N -1.55 0.60 0.01 1.09 6.02 0.66 -3.37 117.38 120.84 2hc5 n GLN 19 Ca 0.06 -0.04 -0.18 0.00 -0.01 0.00 0.00 57.00 56.83 2hc5 n GLN 19 Cb 0.32 -1.43 -0.11 0.00 1.02 0.00 0.00 30.24 30.05 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 0.00 1.39 -0.00 5.09 2.04 0.23 -2.98 117.51 123.28 2hc5 h ILE 20 Ca 0.00 -2.12 0.00 0.00 1.00 0.00 0.00 64.86 63.74 2hc5 h ILE 20 Cb 0.56 2.55 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 2hc5 h ILE 20 CO 0.00 0.63 -0.16 0.00 0.00 0.00 0.00 178.15 178.62 2hc5 n HIS 21 N -4.13 0.00 -3.29 1.37 1.44 -0.83 -4.50 115.22 105.29 2hc5 n HIS 21 Ca -0.11 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.52 2hc5 n HIS 21 Cb 0.73 -0.21 -0.05 0.00 0.12 0.00 0.00 29.99 30.58 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 -2.58 0.03 -1.32 4.39 3.84 -1.22 -5.07 114.94 113.01 2hc5 s ASN 22 Ca 0.25 -1.05 -0.17 0.00 0.21 0.00 0.00 52.86 52.10 2hc5 s ASN 22 Cb 0.20 1.17 0.07 0.00 -0.55 0.00 0.00 41.25 42.15 2hc5 s ASN 22 CO 0.51 -0.25 1.79 0.00 -2.79 0.00 0.00 177.10 176.36 2hc5 n GLN 23 N 4.53 3.17 -2.39 0.43 6.02 -1.13 -4.08 117.38 123.93 2hc5 n GLN 23 Ca 0.09 -3.23 -0.37 0.00 -0.01 0.00 0.00 57.00 53.48 2hc5 n GLN 23 Cb 0.50 -3.43 -0.03 0.00 1.02 0.00 0.00 30.24 28.30 2hc5 n GLN 23 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2hc5 s LYS 24 N 3.84 3.36 0.44 -1.09 -2.85 -1.26 -4.97 119.74 117.21 2hc5 s LYS 24 Ca 0.52 -1.32 -0.23 0.00 -1.00 0.00 0.00 55.97 53.94 2hc5 s LYS 24 Cb 0.05 -5.36 -0.08 0.00 -2.06 0.00 0.00 37.83 30.38 2hc5 s LYS 24 CO 0.05 -2.76 1.11 0.34 0.10 0.00 0.00 175.35 174.19 2hc5 s ASP 25 N 5.47 6.39 -0.33 0.03 2.15 -1.26 -5.02 116.67 124.09 2hc5 s ASP 25 Ca 0.57 2.17 -0.07 0.00 0.43 0.00 0.00 52.55 55.64 2hc5 s ASP 25 Cb 0.00 -2.59 0.03 0.00 -0.30 0.00 0.00 42.92 40.06 2hc5 s ASP 25 CO 0.03 -0.75 0.11 0.20 -0.17 0.00 0.00 175.17 174.59 2hc5 s ASN 26 N -1.50 5.33 0.45 -0.34 0.02 -1.26 -5.08 114.94 112.55 2hc5 s ASN 26 Ca 0.62 -1.02 0.03 0.00 -1.02 0.00 0.00 52.86 51.47 2hc5 s ASN 26 Cb -0.25 -1.89 -0.03 0.00 0.02 0.00 0.00 41.25 39.10 2hc5 s ASN 26 CO 0.30 -0.30 0.06 -0.62 0.02 0.00 0.00 177.10 176.56 2hc5 s ASP 27 N 1.45 3.44 0.05 -1.22 2.15 -1.26 -4.94 116.67 116.34 2hc5 s ASP 27 Ca -0.00 -1.61 0.00 0.00 0.43 0.00 0.00 52.55 51.37 2hc5 s ASP 27 Cb -0.19 0.37 0.00 0.00 -0.30 0.00 0.00 42.92 42.80 2hc5 s ASP 27 CO 0.03 -0.82 0.00 -3.20 -0.17 0.00 0.00 175.17 171.01 2hc5 n ASN 28 N -1.20 -3.67 -1.73 -0.34 5.15 -1.26 -4.73 115.26 107.48 2hc5 n ASN 28 Ca -0.11 0.33 -0.19 0.00 -0.60 0.00 0.00 54.58 54.01 2hc5 n ASN 28 Cb 0.66 -1.86 -0.05 0.00 -0.53 0.00 0.00 39.78 38.00 2hc5 n ASN 28 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2hc5 n GLU 29 N 0.40 -1.39 -3.61 1.20 1.02 -1.26 -4.96 120.64 112.05 2hc5 n GLU 29 Ca 0.00 1.06 -0.17 0.00 -0.02 0.00 0.00 57.16 58.03 2hc5 n GLU 29 Cb 0.00 -5.46 -0.14 0.00 -0.02 0.00 0.00 31.44 25.82 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 -2.80 -0.32 -0.30 2.62 0.11 -1.26 -5.11 120.40 113.34 2hc5 s VAL 30 Ca 0.00 0.17 -0.28 0.00 -2.93 0.00 0.00 61.98 58.94 2hc5 s VAL 30 Cb 0.00 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 2hc5 s VAL 30 CO 0.00 0.01 2.07 -2.84 -3.33 0.00 0.00 175.10 171.01 2hc5 s PRO 31 N 2.33 3.08 -0.54 1.54 0.02 -1.26 -4.92 135.00 135.25 2hc5 s PRO 31 Ca 0.04 1.69 -0.25 0.00 0.02 0.00 0.00 61.00 62.50 2hc5 s PRO 31 Cb -0.13 -4.33 0.04 0.00 0.02 0.00 0.00 34.50 30.09 2hc5 s PRO 31 CO -0.09 -2.16 0.95 0.54 -0.33 0.00 0.00 177.00 175.92 2hc5 s VAL 32 N 8.21 4.38 -0.11 3.83 0.11 -1.26 -5.00 120.40 130.55 2hc5 s VAL 32 Ca 0.91 0.39 -0.29 0.00 -2.93 0.00 0.00 61.98 60.06 2hc5 s VAL 32 Cb -0.27 -4.53 -0.01 0.00 -1.53 0.00 0.00 36.38 30.04 2hc5 s VAL 32 CO 0.33 -1.08 1.00 -1.00 -3.33 0.00 0.00 175.10 171.02 2hc5 s HIS 33 N 3.98 3.50 -0.82 1.54 3.76 -1.26 -4.92 115.29 121.07 2hc5 s HIS 33 Ca 0.32 1.57 0.02 0.00 -0.15 0.00 0.00 55.06 56.83 2hc5 s HIS 33 Cb -0.12 -3.18 0.13 0.00 1.11 0.00 0.00 32.58 30.52 2hc5 s HIS 33 CO 0.21 -0.24 0.73 1.04 -0.85 0.00 0.00 174.74 175.63 2hc5 n GLN 34 N 5.08 1.61 -2.52 1.40 6.02 -1.26 -4.89 117.38 122.82 2hc5 n GLN 34 Ca 0.09 -0.51 -0.03 0.00 -0.01 0.00 0.00 57.00 56.53 2hc5 n GLN 34 Cb 0.49 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 30.15 2hc5 n GLN 34 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2hc5 n VAL 35 N 0.11 -9.62 -3.94 5.09 0.31 -1.26 -5.01 118.33 104.01 2hc5 n VAL 35 Ca 0.05 1.08 -0.31 0.00 -0.01 0.00 0.00 64.34 65.15 2hc5 n VAL 35 Cb 0.42 -6.50 -0.14 0.00 -0.91 0.00 0.00 33.84 26.72 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 -1.81 4.56 0.00 4.52 0.01 -1.26 -4.98 113.70 114.73 2hc5 s SER 36 Ca 0.10 -2.73 0.00 0.00 1.31 0.00 0.00 55.95 54.63 2hc5 s SER 36 Cb -0.03 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.54 2hc5 s SER 36 CO 0.62 -0.30 0.00 0.00 0.41 0.00 0.00 173.24 173.97 2hc5 n TYR 37 N 3.51 0.00 0.13 2.43 9.36 -1.26 -2.09 117.16 129.25 2hc5 n TYR 37 Ca 0.05 0.00 0.18 0.00 3.32 0.00 0.00 57.90 61.44 2hc5 n TYR 37 Cb 0.36 0.00 0.76 0.00 -0.63 0.00 0.00 39.34 39.83 2hc5 n TYR 37 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 2hc5 h THR 38 N 0.00 0.58 -0.79 2.97 2.02 -2.01 -2.07 112.91 113.60 2hc5 h THR 38 Ca 0.00 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.35 2hc5 h THR 38 Cb 0.00 0.79 -0.11 0.00 -1.74 0.00 0.00 68.15 67.09 2hc5 h THR 38 CO 0.00 0.00 0.29 0.78 0.37 0.00 0.00 175.52 176.96 2hc5 h ASN 39 N 0.00 0.22 0.13 4.18 -0.26 -1.80 0.87 115.58 118.91 2hc5 h ASN 39 Ca 0.14 0.13 -0.01 0.00 -0.56 0.00 0.00 56.30 56.01 2hc5 h ASN 39 Cb 0.69 0.13 0.00 0.00 -1.06 0.00 0.00 38.32 38.08 2hc5 h ASN 39 CO -0.00 0.04 -0.06 -0.07 -1.06 0.00 0.00 177.43 176.27 2hc5 h LEU 40 N 0.39 -0.15 -1.48 1.61 -0.00 -1.66 -2.08 115.31 111.94 2hc5 h LEU 40 Ca 0.45 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 58.28 2hc5 h LEU 40 Cb 0.76 0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.45 2hc5 h LEU 40 CO -0.47 -0.07 0.07 0.00 -0.00 0.00 0.00 178.44 177.97 2hc5 h ALA 41 N 0.65 1.59 0.43 1.53 0.00 -1.40 -0.91 119.26 121.15 2hc5 h ALA 41 Ca -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2hc5 h ALA 41 Cb 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2hc5 h ALA 41 CO 0.03 0.31 -0.21 0.93 0.00 0.00 0.00 179.25 180.32 2hc5 h GLU 42 N 0.41 -0.56 0.00 0.00 5.08 -0.46 -0.65 114.58 118.40 2hc5 h GLU 42 Ca 0.10 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2hc5 h GLU 42 Cb 0.16 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2hc5 h GLU 42 CO -0.00 -0.33 -0.09 0.52 -1.00 0.00 0.00 179.01 178.11 2hc5 h MET 43 N -0.67 0.00 -0.03 2.33 2.86 -1.14 -2.77 114.93 115.51 2hc5 h MET 43 Ca -0.06 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 2hc5 h MET 43 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 2hc5 h MET 43 CO 0.10 0.09 -0.17 0.28 1.06 0.00 0.00 176.91 178.27 2hc5 h VAL 44 N 0.00 1.49 -0.72 -2.22 2.07 -1.07 -3.03 116.25 112.77 2hc5 h VAL 44 Ca -0.00 -1.68 0.02 0.00 0.82 0.00 0.00 66.70 65.87 2hc5 h VAL 44 Cb 0.70 2.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.93 2hc5 h VAL 44 CO 0.01 0.46 0.47 1.23 0.02 0.00 0.00 177.57 179.76 2hc5 h GLY 45 N -0.42 1.00 1.42 2.17 0.00 -0.93 -0.68 103.07 105.62 2hc5 h GLY 45 Ca -0.01 -0.35 -0.18 0.00 0.00 0.00 0.00 47.33 46.79 2hc5 h GLY 45 CO 0.03 0.32 -0.60 1.05 0.00 0.00 0.00 176.54 177.34 2hc5 h GLU 46 N 0.90 0.60 -0.14 4.80 4.11 -1.59 -3.04 114.58 120.22 2hc5 h GLU 46 Ca 0.28 -0.41 -0.10 0.00 0.07 0.00 0.00 59.36 59.20 2hc5 h GLU 46 Cb -0.00 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2hc5 h GLU 46 CO -0.07 1.03 -0.35 0.52 0.07 0.00 0.00 179.01 180.21 2hc5 h MET 47 N 0.45 0.29 -0.36 1.06 2.86 -1.21 -2.64 114.93 115.38 2hc5 h MET 47 Ca -0.00 -0.12 0.04 0.00 -2.06 0.00 0.00 59.70 57.56 2hc5 h MET 47 Cb 1.17 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.78 2hc5 h MET 47 CO 0.12 0.60 0.13 -0.91 1.06 0.00 0.00 176.91 177.91 2hc5 h ASN 48 N 0.25 0.14 0.32 1.22 -0.26 -1.04 -2.28 115.58 113.92 2hc5 h ASN 48 Ca 0.03 0.04 -0.08 0.00 -0.56 0.00 0.00 56.30 55.73 2hc5 h ASN 48 Cb 0.73 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 38.01 2hc5 h ASN 48 CO 0.06 0.11 -0.35 0.11 -1.06 0.00 0.00 177.43 176.30 2hc5 h LYS 49 N 0.28 0.05 0.00 0.81 1.57 -1.43 -1.64 116.57 116.20 2hc5 h LYS 49 Ca 0.16 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 2hc5 h LYS 49 Cb 0.14 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2hc5 h LYS 49 CO -0.17 0.39 -0.27 -0.07 -0.57 0.00 0.00 179.45 178.76 2hc5 h LEU 50 N 0.04 0.00 -0.16 2.94 3.38 -1.09 -3.14 115.31 117.30 2hc5 h LEU 50 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hc5 h LEU 50 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2hc5 h LEU 50 CO 0.05 0.27 -0.84 0.18 0.09 0.00 0.00 178.44 178.19 2hc5 n LEU 51 N -3.38 1.09 -0.07 1.67 4.77 -0.88 -4.41 117.00 115.78 2hc5 n LEU 51 Ca 0.00 -0.54 -0.08 0.00 -0.03 0.00 0.00 56.01 55.37 2hc5 n LEU 51 Cb 0.48 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.57 2hc5 n LEU 51 CO 0.35 0.25 0.90 -0.33 -1.33 0.00 0.00 177.39 177.23 2hc5 h GLU 52 N 0.37 0.17 -0.21 3.23 5.08 -1.26 -2.00 114.58 119.95 2hc5 h GLU 52 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2hc5 h GLU 52 Cb 0.50 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2hc5 h GLU 52 CO 0.00 0.11 0.00 -2.30 -1.00 0.00 0.00 179.01 175.82 2hc5 n PRO 53 N -5.07 0.79 -2.59 2.33 -0.02 -1.26 -4.81 135.00 124.37 2hc5 n PRO 53 Ca -0.01 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.40 2hc5 n PRO 53 Cb 0.11 -1.10 -0.01 0.00 -0.02 0.00 0.00 33.50 32.47 2hc5 n PRO 53 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2hc5 n SER 54 N -0.34 2.30 -0.80 2.55 3.41 -0.75 -3.48 113.62 116.51 2hc5 n SER 54 Ca 0.00 -1.49 0.10 0.00 -0.26 0.00 0.00 58.87 57.22 2hc5 n SER 54 Cb 0.05 0.08 0.08 0.00 -0.26 0.00 0.00 64.21 64.16 2hc5 n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hc5 n GLN 55 N -0.28 1.81 -1.85 4.33 1.13 0.36 -4.91 117.38 117.97 2hc5 n GLN 55 Ca -0.05 -1.68 -0.33 0.00 -1.94 0.00 0.00 57.00 53.01 2hc5 n GLN 55 Cb 0.14 -1.39 -0.04 0.00 0.11 0.00 0.00 30.24 29.06 2hc5 n GLN 55 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2hc5 s VAL 56 N -1.72 3.23 -1.35 5.09 1.01 -1.02 -4.75 120.40 120.89 2hc5 s VAL 56 Ca 0.23 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.13 2hc5 s VAL 56 Cb 0.17 -3.58 0.12 0.00 0.00 0.00 0.00 36.38 33.08 2hc5 s VAL 56 CO 0.26 -0.56 2.05 1.41 0.00 0.00 0.00 175.10 178.27 2hc5 n HIS 57 N 14.58 3.07 -4.24 5.22 8.25 -1.26 -4.90 115.22 135.94 2hc5 n HIS 57 Ca 0.32 -2.86 -0.33 0.00 -0.26 0.00 0.00 57.72 54.59 2hc5 n HIS 57 Cb 0.51 -2.14 -0.16 0.00 1.12 0.00 0.00 29.99 29.32 2hc5 n HIS 57 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2hc5 s LEU 58 N 0.45 2.26 -0.13 2.41 1.43 -1.26 -0.55 118.68 123.29 2hc5 s LEU 58 Ca 0.44 -0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 52.92 2hc5 s LEU 58 Cb 0.12 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 2hc5 s LEU 58 CO -0.03 0.02 -0.05 -0.54 0.23 0.00 0.00 176.35 175.98 2hc5 s LYS 59 N 1.18 3.36 -0.11 1.70 1.02 0.18 -4.92 119.74 122.15 2hc5 s LYS 59 Ca 0.02 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 55.48 2hc5 s LYS 59 Cb -0.14 -2.80 -0.02 0.00 -0.52 0.00 0.00 37.83 34.35 2hc5 s LYS 59 CO -0.08 0.39 -0.11 -0.06 -0.92 0.00 0.00 175.35 174.56 2hc5 s PHE 60 N -0.05 2.84 -0.05 3.18 0.08 -1.26 -0.32 117.98 122.39 2hc5 s PHE 60 Ca 0.01 -0.43 0.06 0.00 0.12 0.00 0.00 56.93 56.69 2hc5 s PHE 60 Cb -0.13 -1.81 -0.01 0.00 -0.57 0.00 0.00 43.02 40.50 2hc5 s PHE 60 CO 0.03 -0.05 -0.24 -1.21 -0.10 0.00 0.00 175.22 173.65 2hc5 s GLU 61 N 0.03 2.50 -0.59 0.44 2.02 -0.67 -4.93 118.70 117.50 2hc5 s GLU 61 Ca -0.03 -0.88 -0.20 0.00 0.02 0.00 0.00 54.97 53.88 2hc5 s GLU 61 Cb -0.14 -2.18 0.09 0.00 0.10 0.00 0.00 34.13 32.00 2hc5 s GLU 61 CO 0.04 0.43 0.73 -1.17 0.02 0.00 0.00 175.26 175.31 2hc5 s LEU 62 N -0.28 5.17 -0.37 1.80 2.96 -1.26 -0.99 118.68 125.71 2hc5 s LEU 62 Ca 0.00 -1.28 -0.10 0.00 -0.22 0.00 0.00 54.13 52.54 2hc5 s LEU 62 Cb -0.13 -2.35 0.04 0.00 0.50 0.00 0.00 46.19 44.25 2hc5 s LEU 62 CO 0.03 -1.13 0.20 -1.00 -1.32 0.00 0.00 176.35 173.12 2hc5 s HIS 63 N 2.89 3.26 0.01 5.38 3.76 -1.22 -5.02 115.29 124.35 2hc5 s HIS 63 Ca 0.14 -1.13 -0.30 0.00 -0.15 0.00 0.00 55.06 53.62 2hc5 s HIS 63 Cb -0.22 -2.48 -0.07 0.00 1.11 0.00 0.00 32.58 30.93 2hc5 s HIS 63 CO 0.08 -0.69 1.54 0.16 -0.85 0.00 0.00 174.74 174.97 2hc5 s ASP 64 N 1.60 6.72 -0.34 1.40 -4.77 -1.26 -3.95 116.67 116.07 2hc5 s ASP 64 Ca 0.01 2.27 0.02 0.00 -3.30 0.00 0.00 52.55 51.55 2hc5 s ASP 64 Cb -0.20 -2.56 0.10 0.00 -1.09 0.00 0.00 42.92 39.18 2hc5 s ASP 64 CO 0.05 -0.82 0.10 -0.75 0.70 0.00 0.00 175.17 174.45 2hc5 s LYS 65 N 2.79 1.14 0.00 2.11 2.20 0.15 -4.98 119.74 123.15 2hc5 s LYS 65 Ca 0.69 -1.57 0.00 0.00 -0.36 0.00 0.00 55.97 54.74 2hc5 s LYS 65 Cb -0.35 -2.58 0.00 0.00 -1.51 0.00 0.00 37.83 33.39 2hc5 s LYS 65 CO 0.29 -0.99 0.00 1.28 -0.36 0.00 0.00 175.35 175.57 2hc5 n LEU 66 N 4.40 0.00 0.00 5.43 4.32 -1.26 -0.63 117.00 129.26 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 0.18 0.00 -0.06 -3.20 -1.22 0.00 0.00 177.39 173.09 2hc5 n ASN 67 N 2.04 0.55 -4.58 -1.43 5.15 -1.26 -5.08 115.26 110.65 2hc5 n ASN 67 Ca 0.00 -0.12 -0.31 0.00 -0.60 0.00 0.00 54.58 53.56 2hc5 n ASN 67 Cb 0.00 0.34 -0.10 0.00 -0.53 0.00 0.00 39.78 39.49 2hc5 n ASN 67 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 2hc5 s GLU 68 N -0.45 2.31 -0.08 1.20 -1.05 0.20 -5.11 118.70 115.71 2hc5 s GLU 68 Ca 0.00 -0.90 -0.01 0.00 -0.15 0.00 0.00 54.97 53.92 2hc5 s GLU 68 Cb 0.00 -2.38 0.03 0.00 -0.44 0.00 0.00 34.13 31.33 2hc5 s GLU 68 CO 0.00 0.55 -0.02 1.52 0.95 0.00 0.00 175.26 178.25 2hc5 s TYR 69 N -1.12 0.88 0.35 4.83 -0.85 -1.26 0.33 117.35 120.50 2hc5 s TYR 69 Ca 0.20 -0.31 0.05 0.00 -0.52 0.00 0.00 57.07 56.49 2hc5 s TYR 69 Cb -0.11 -0.89 -0.07 0.00 0.38 0.00 0.00 41.96 41.27 2hc5 s TYR 69 CO 0.11 -0.36 0.04 1.52 -1.52 0.00 0.00 175.55 175.34 2hc5 s TYR 70 N 1.78 2.12 -0.27 -3.49 -0.85 -1.25 -4.17 117.35 111.21 2hc5 s TYR 70 Ca 0.03 -0.86 -0.13 0.00 -0.52 0.00 0.00 57.07 55.58 2hc5 s TYR 70 Cb -0.13 -1.41 -0.04 0.00 0.38 0.00 0.00 41.96 40.76 2hc5 s TYR 70 CO -0.05 0.15 0.30 0.08 -1.52 0.00 0.00 175.55 174.51 2hc5 s VAL 71 N -3.12 5.23 -0.27 -3.49 1.01 -1.07 -3.43 120.40 115.25 2hc5 s VAL 71 Ca 0.36 0.42 -0.21 0.00 0.00 0.00 0.00 61.98 62.55 2hc5 s VAL 71 Cb 0.09 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 2hc5 s VAL 71 CO 0.16 0.20 0.64 -0.54 0.00 0.00 0.00 175.10 175.56 2hc5 s LYS 72 N 1.90 4.04 -0.37 2.72 1.02 -0.16 -1.99 119.74 126.90 2hc5 s LYS 72 Ca 0.12 0.48 -0.19 0.00 0.02 0.00 0.00 55.97 56.41 2hc5 s LYS 72 Cb -0.16 -3.68 0.00 0.00 -0.52 0.00 0.00 37.83 33.48 2hc5 s LYS 72 CO 0.10 -0.48 0.54 0.08 -0.92 0.00 0.00 175.35 174.67 2hc5 s VAL 73 N 2.57 4.98 -0.30 3.17 1.01 0.72 -1.68 120.40 130.88 2hc5 s VAL 73 Ca 0.26 0.26 -0.05 0.00 0.00 0.00 0.00 61.98 62.45 2hc5 s VAL 73 Cb -0.15 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.23 2hc5 s VAL 73 CO 0.10 -0.31 0.06 -0.63 0.00 0.00 0.00 175.10 174.32 2hc5 s ILE 74 N 2.47 3.66 -0.13 2.22 1.01 0.56 -1.18 121.20 129.80 2hc5 s ILE 74 Ca 0.19 -0.96 -0.29 0.00 0.00 0.00 0.00 60.65 59.59 2hc5 s ILE 74 Cb -0.15 -2.97 -0.01 0.00 0.01 0.00 0.00 42.46 39.34 2hc5 s ILE 74 CO 0.14 -0.01 1.14 -0.70 0.00 0.00 0.00 174.94 175.51 2hc5 s GLU 75 N 1.42 4.32 0.21 2.79 2.12 -0.72 -0.65 118.70 128.18 2hc5 s GLU 75 Ca 0.00 1.53 0.24 0.00 0.36 0.00 0.00 54.97 57.10 2hc5 s GLU 75 Cb -0.18 -3.62 0.91 0.00 0.26 0.00 0.00 34.13 31.50 2hc5 s GLU 75 CO 0.01 -0.52 1.73 -3.47 -0.54 0.00 0.00 175.26 172.46 2hc5 n ASP 76 N 5.77 0.62 -0.01 -1.70 2.03 0.28 0.84 116.55 124.38 2hc5 n ASP 76 Ca 0.11 0.61 -0.16 0.00 0.52 0.00 0.00 54.79 55.87 2hc5 n ASP 76 Cb 0.46 -0.76 -0.11 0.00 -0.72 0.00 0.00 41.12 40.00 2hc5 n ASP 76 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2hc5 h SER 77 N 0.00 0.43 0.60 1.67 0.87 -1.91 -3.31 113.55 111.89 2hc5 h SER 77 Ca 0.00 -0.75 -0.08 0.00 -1.23 0.00 0.00 61.79 59.73 2hc5 h SER 77 Cb 0.48 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2hc5 h SER 77 CO 0.00 1.11 -1.47 0.35 -0.53 0.00 0.00 176.83 176.30 2hc5 n THR 78 N -4.33 0.72 -2.15 2.23 -2.24 -1.16 -4.97 114.28 102.38 2hc5 n THR 78 Ca -0.10 -0.61 -0.16 0.00 -2.27 0.00 0.00 64.05 60.92 2hc5 n THR 78 Cb 0.60 -0.40 -0.02 0.00 -2.10 0.00 0.00 70.33 68.41 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 -2.66 -4.74 -4.56 3.42 5.03 0.25 -5.01 115.26 106.98 2hc5 n ASN 79 Ca -0.07 0.06 -0.26 0.00 0.87 0.00 0.00 54.58 55.18 2hc5 n ASN 79 Cb 0.69 -3.83 -0.10 0.00 -1.02 0.00 0.00 39.78 35.53 2hc5 n ASN 79 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 2hc5 s GLU 80 N -4.52 1.85 -0.58 3.52 -1.05 -1.20 -4.94 118.70 111.79 2hc5 s GLU 80 Ca 0.00 -1.94 -0.25 0.00 -0.15 0.00 0.00 54.97 52.63 2hc5 s GLU 80 Cb 0.00 -1.72 0.04 0.00 -0.44 0.00 0.00 34.13 32.02 2hc5 s GLU 80 CO 0.00 0.12 1.01 0.08 0.95 0.00 0.00 175.26 177.42 2hc5 s VAL 81 N -2.61 4.27 -0.29 1.83 1.01 -1.26 -1.76 120.40 121.59 2hc5 s VAL 81 Ca 0.33 0.32 0.21 0.00 0.00 0.00 0.00 61.98 62.85 2hc5 s VAL 81 Cb 0.03 -4.61 0.11 0.00 0.00 0.00 0.00 36.38 31.91 2hc5 s VAL 81 CO 0.17 -1.24 1.26 0.16 0.00 0.00 0.00 175.10 175.45 2hc5 h ILE 82 N 6.04 0.14 -2.14 2.22 3.07 -1.53 -3.47 117.51 121.84 2hc5 h ILE 82 Ca -0.26 -1.23 -0.06 0.00 1.55 0.00 0.00 64.86 64.86 2hc5 h ILE 82 Cb 1.07 1.83 -0.21 0.00 -0.27 0.00 0.00 36.82 39.23 2hc5 h ILE 82 CO 1.13 0.08 0.06 -0.60 -1.05 0.00 0.00 178.15 177.77 2hc5 s ARG 83 N -3.22 0.78 -0.29 0.16 6.06 -1.20 -5.04 118.95 116.20 2hc5 s ARG 83 Ca 0.02 0.87 0.02 0.00 -2.50 0.00 0.00 55.73 54.14 2hc5 s ARG 83 Cb 0.08 0.38 0.08 0.00 0.06 0.00 0.00 34.95 35.55 2hc5 s ARG 83 CO 0.75 -0.11 0.01 -1.21 -2.50 0.00 0.00 175.30 172.24 2hc5 s GLU 84 N 0.25 1.44 -0.26 5.12 2.02 -1.26 -0.20 118.70 125.82 2hc5 s GLU 84 Ca -0.01 -1.35 -0.23 0.00 0.02 0.00 0.00 54.97 53.41 2hc5 s GLU 84 Cb -0.04 -2.71 -0.01 0.00 0.10 0.00 0.00 34.13 31.47 2hc5 s GLU 84 CO 0.01 -0.79 0.75 0.42 0.02 0.00 0.00 175.26 175.68 2hc5 s ILE 85 N 1.24 4.88 0.49 -1.63 1.09 -0.84 -4.94 121.20 121.49 2hc5 s ILE 85 Ca 0.03 1.36 -0.23 0.00 -1.10 0.00 0.00 60.65 60.70 2hc5 s ILE 85 Cb -0.19 -4.06 -0.07 0.00 -1.06 0.00 0.00 42.46 37.09 2hc5 s ILE 85 CO -0.11 -0.07 1.34 -2.16 -0.10 0.00 0.00 174.94 173.84 2hc5 s PRO 86 N 2.75 3.49 0.49 2.79 0.04 -1.26 -2.60 135.00 140.70 2hc5 s PRO 86 Ca 0.31 2.19 0.18 0.00 0.04 0.00 0.00 61.00 63.73 2hc5 s PRO 86 Cb -0.15 -2.45 1.21 0.00 0.04 0.00 0.00 34.50 33.14 2hc5 s PRO 86 CO 0.08 -0.90 2.04 -1.00 0.04 0.00 0.00 177.00 177.26 2hc5 h PRO 87 N 1.94 0.17 -0.00 0.56 0.13 -1.96 0.68 132.00 133.52 2hc5 h PRO 87 Ca -0.50 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2hc5 h PRO 87 Cb 1.28 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2hc5 h PRO 87 CO 0.59 0.11 -0.00 0.36 -0.23 0.00 0.00 178.00 178.83 2hc5 n LYS 88 N -4.46 1.20 -0.03 0.86 2.85 -1.26 -2.52 118.16 114.80 2hc5 n LYS 88 Ca 0.06 -0.32 0.01 0.00 -1.05 0.00 0.00 58.31 57.01 2hc5 n LYS 88 Cb 0.36 -1.49 0.02 0.00 -0.65 0.00 0.00 35.03 33.26 2hc5 n LYS 88 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2hc5 n ARG 89 N -0.62 1.98 -0.01 -1.58 1.74 0.15 -4.74 116.66 113.58 2hc5 n ARG 89 Ca 0.22 -1.39 -0.07 0.00 -0.77 0.00 0.00 57.85 55.84 2hc5 n ARG 89 Cb 0.19 -0.93 0.11 0.00 -1.02 0.00 0.00 32.46 30.81 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 0.66 -0.43 -1.55 -0.00 -1.02 -2.20 115.95 111.41 2hc5 h TRP 90 Ca 0.00 -0.19 -0.12 0.00 -0.00 0.00 0.00 58.89 58.58 2hc5 h TRP 90 Cb 0.72 -0.14 -0.01 0.00 -0.00 0.00 0.00 29.16 29.72 2hc5 h TRP 90 CO 0.00 0.87 -0.21 -0.07 -0.00 0.00 0.00 178.44 179.04 2hc5 h LEU 91 N 0.46 0.86 0.09 0.65 3.38 -1.85 0.22 115.31 119.12 2hc5 h LEU 91 Ca 0.04 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2hc5 h LEU 91 Cb 0.90 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2hc5 h LEU 91 CO 0.08 1.05 -0.07 0.44 0.09 0.00 0.00 178.44 180.02 2hc5 h ASP 92 N 0.74 -0.18 -0.41 -0.43 5.19 -1.84 -0.10 116.42 119.39 2hc5 h ASP 92 Ca 0.10 0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.49 2hc5 h ASP 92 Cb 0.74 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.29 2hc5 h ASP 92 CO 0.06 -0.11 0.09 0.15 -3.12 0.00 0.00 179.24 176.30 2hc5 h PHE 93 N -0.17 0.70 -0.21 4.55 3.57 -1.26 -2.10 116.94 122.02 2hc5 h PHE 93 Ca -0.00 -0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.45 2hc5 h PHE 93 Cb 0.16 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 2hc5 h PHE 93 CO -0.10 0.67 -0.00 -0.92 -2.23 0.00 0.00 178.31 175.73 2hc5 h TYR 94 N 0.52 -0.02 -0.05 0.41 3.20 -0.40 -0.04 116.97 120.59 2hc5 h TYR 94 Ca 0.13 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 2hc5 h TYR 94 Cb 0.34 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 2hc5 h TYR 94 CO 0.02 -0.04 0.03 0.00 -1.64 0.00 0.00 178.16 176.54 2hc5 h ALA 95 N 1.18 0.07 -0.65 1.82 0.00 -0.93 0.16 119.26 120.90 2hc5 h ALA 95 Ca 0.10 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2hc5 h ALA 95 Cb 0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2hc5 h ALA 95 CO -0.17 -0.42 0.43 0.00 0.00 0.00 0.00 179.25 179.09 2hc5 h ALA 96 N 0.99 1.56 0.18 0.00 0.00 -1.11 -1.96 119.26 118.92 2hc5 h ALA 96 Ca 0.02 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 2hc5 h ALA 96 Cb 0.02 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.58 2hc5 h ALA 96 CO -0.00 0.39 -1.16 1.98 0.00 0.00 0.00 179.25 180.46 2hc5 h MET 97 N 0.86 0.37 0.00 0.00 1.85 -0.67 -3.24 114.93 114.10 2hc5 h MET 97 Ca 0.25 -0.63 -0.13 0.00 -0.61 0.00 0.00 59.70 58.57 2hc5 h MET 97 Cb -0.05 0.24 -0.02 0.00 0.43 0.00 0.00 31.60 32.19 2hc5 h MET 97 CO -0.06 1.30 -0.64 0.00 -0.40 0.00 0.00 176.91 177.12 2hc5 h THR 98 N -0.18 1.40 0.00 -0.77 1.03 -0.59 0.37 112.91 114.16 2hc5 h THR 98 Ca -0.21 -2.23 -0.08 0.00 -0.01 0.00 0.00 66.41 63.88 2hc5 h THR 98 Cb 1.85 2.22 -0.01 0.00 -1.07 0.00 0.00 68.15 71.13 2hc5 h THR 98 CO 0.18 0.62 -0.40 -0.33 -0.01 0.00 0.00 175.52 175.58 2hc5 h GLU 99 N 0.00 0.00 0.00 0.00 5.08 -1.49 0.28 114.58 118.45 2hc5 h GLU 99 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2hc5 h GLU 99 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2hc5 h GLU 99 CO 0.08 0.40 -0.13 0.35 -1.00 0.00 0.00 179.01 178.71 2hc5 h PHE 100 N 0.00 0.00 0.00 4.33 3.57 -1.43 -3.32 116.94 120.09 2hc5 h PHE 100 Ca -0.00 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 2hc5 h PHE 100 Cb 0.75 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 2hc5 h PHE 100 CO 0.00 0.39 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.17 2hc5 h LEU 101 N -1.00 0.00 0.00 0.59 -0.00 -0.35 -1.08 115.31 113.48 2hc5 h LEU 101 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 2hc5 h LEU 101 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 2hc5 h LEU 101 CO -0.01 0.23 0.00 0.61 -0.00 0.00 0.00 178.44 179.27 2hc5 n GLY 102 N -0.71 -0.70 0.14 0.83 0.00 0.98 -1.33 105.19 104.40 2hc5 n GLY 102 Ca -0.02 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.63 0.99 3.38 -1.29 -3.31 115.31 112.45 2hc5 h LEU 103 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2hc5 h LEU 103 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2hc5 h LEU 103 CO 0.00 0.01 0.00 0.49 0.09 0.00 0.00 178.44 179.03 2hc5 n PHE 104 N -2.73 1.16 -1.70 1.13 3.01 -0.44 -4.82 117.46 113.07 2hc5 n PHE 104 Ca 0.02 -0.49 -0.34 0.00 1.01 0.00 0.00 57.45 57.65 2hc5 n PHE 104 Cb 0.53 -0.14 0.06 0.00 -0.01 0.00 0.00 39.48 39.91 2hc5 n PHE 104 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 2hc5 s VAL 105 N -1.57 2.90 -2.03 -4.37 -7.23 -1.24 -4.93 120.40 101.94 2hc5 s VAL 105 Ca 0.44 0.44 0.16 0.00 -1.81 0.00 0.00 61.98 61.22 2hc5 s VAL 105 Cb 0.27 -2.99 0.45 0.00 0.56 0.00 0.00 36.38 34.67 2hc5 s VAL 105 CO 0.24 -0.24 1.38 -0.67 -0.31 0.00 0.00 175.10 175.51 2hc5 n ASP 106 N -2.39 2.71 0.00 4.85 2.03 -1.26 -4.94 116.55 117.54 2hc5 n ASP 106 Ca 0.12 -1.99 0.00 0.00 0.52 0.00 0.00 54.79 53.44 2hc5 n ASP 106 Cb 0.51 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 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 0.98 0.00 0.17 -0.67 2.13 -1.26 -4.27 120.64 117.72 2hc5 n GLU 107 Ca 0.17 0.00 0.13 0.00 0.66 0.00 0.00 57.16 58.12 2hc5 n GLU 107 Cb 0.43 0.00 0.59 0.00 0.27 0.00 0.00 31.44 32.74 2hc5 n GLU 107 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2hc5 h LYS 108 N 0.00 0.00 -0.02 5.31 3.64 -2.02 -1.09 116.57 122.39 2hc5 h LYS 108 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2hc5 h LYS 108 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2hc5 h LYS 108 CO 0.00 0.00 -0.26 1.63 -2.27 0.00 0.00 179.45 178.55 2hc5 n LYS 109 N -2.38 1.47 -0.10 1.90 4.76 -1.26 -4.33 118.16 118.23 2hc5 n LYS 109 Ca 0.00 -1.13 0.08 0.00 -2.87 0.00 0.00 58.31 54.40 2hc5 n LYS 109 Cb 0.15 -1.48 0.31 0.00 -1.84 0.00 0.00 35.03 32.18 2hc5 n LYS 109 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2hc5 n LEU 110 N 0.23 1.49 0.00 -0.35 -0.00 -0.41 -4.86 117.00 113.09 2hc5 n LEU 110 Ca 0.12 -0.67 0.00 0.00 -0.00 0.00 0.00 56.01 55.47 2hc5 n LEU 110 Cb 0.47 -0.13 0.00 0.00 -0.00 0.00 0.00 43.42 43.76 2hc5 n LEU 110 CO 0.23 0.33 0.00 1.21 -0.00 0.00 0.00 177.39 179.16 2hc5 n GLU 111 N 0.23 -0.06 0.00 1.47 2.13 -1.26 -4.90 120.64 118.26 2hc5 n GLU 111 Ca 0.14 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.97 2hc5 n GLU 111 Cb 0.28 -2.90 0.00 0.00 0.27 0.00 0.00 31.44 29.08 2hc5 n GLU 111 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2hc5 n HIS 112 N -2.16 -1.03 -3.78 4.31 8.25 -1.26 -4.98 115.22 114.57 2hc5 n HIS 112 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 2hc5 n HIS 112 Cb 0.01 0.13 -0.08 0.00 1.12 0.00 0.00 29.99 31.18 2hc5 n HIS 112 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2hc5 s HIS 113 N 0.00 -0.08 -0.07 4.41 -3.43 -1.26 -5.16 115.29 109.70 2hc5 s HIS 113 Ca 0.00 -0.03 0.03 0.00 -0.80 0.00 0.00 55.06 54.26 2hc5 s HIS 113 Cb 0.00 0.07 -0.02 0.00 -1.43 0.00 0.00 32.58 31.19 2hc5 s HIS 113 CO 0.00 -0.46 -0.16 -3.38 -2.00 0.00 0.00 174.74 168.74 2hc5 s HIS 114 N -2.30 2.68 -0.15 0.38 -3.43 -1.26 -5.11 115.29 106.11 2hc5 s HIS 114 Ca -0.07 -0.35 -0.29 0.00 -0.80 0.00 0.00 55.06 53.55 2hc5 s HIS 114 Cb -0.02 -1.67 0.09 0.00 -1.43 0.00 0.00 32.58 29.54 2hc5 s HIS 114 CO -0.02 0.03 0.79 -1.58 -2.00 0.00 0.00 174.74 171.96 2hc5 s HIS 115 N -0.39 -0.61 -0.66 0.38 2.46 -1.26 -5.09 115.29 110.12 2hc5 s HIS 115 Ca 0.04 1.21 -0.26 0.00 0.47 0.00 0.00 55.06 56.52 2hc5 s HIS 115 Cb -0.12 0.38 -0.03 0.00 -0.13 0.00 0.00 32.58 32.68 2hc5 s HIS 115 CO 0.02 -0.46 1.90 -1.58 -2.47 0.00 0.00 174.74 172.14 2hc5 s HIS 116 N -0.67 1.66 -2.65 3.88 2.46 -1.26 -5.37 115.29 113.34 2hc5 s HIS 116 Ca -0.05 0.79 0.27 0.00 0.47 0.00 0.00 55.06 56.54 2hc5 s HIS 116 Cb -0.02 -4.06 0.79 0.00 -0.13 0.00 0.00 32.58 29.16 2hc5 s HIS 116 CO 0.05 -2.22 1.60 1.58 -2.47 0.00 0.00 174.74 173.28