#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 -3.29 0.29 -1.43 2.85 -1.26 -4.82 115.26 107.60 2hc5 n ASN 2 Ca 0.00 1.06 0.17 0.00 -0.11 0.00 0.00 54.58 55.70 2hc5 n ASN 2 Cb 0.00 -4.29 0.79 0.00 1.24 0.00 0.00 39.78 37.52 2hc5 n ASN 2 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 2hc5 h ILE 3 N 2.77 0.10 0.00 -1.44 2.10 -1.85 -2.47 117.51 116.73 2hc5 h ILE 3 Ca -0.25 -0.46 0.00 0.00 1.08 0.00 0.00 64.86 65.23 2hc5 h ILE 3 Cb 0.56 1.41 0.00 0.00 -1.09 0.00 0.00 36.82 37.70 2hc5 h ILE 3 CO 0.04 0.03 0.00 -0.62 -1.08 0.00 0.00 178.15 176.52 2hc5 n GLU 4 N -3.17 0.18 -0.08 2.19 1.02 -1.16 -1.28 120.64 118.33 2hc5 n GLU 4 Ca -0.00 0.51 0.05 0.00 -0.02 0.00 0.00 57.16 57.69 2hc5 n GLU 4 Cb 0.26 -1.91 0.09 0.00 -0.02 0.00 0.00 31.44 29.86 2hc5 n GLU 4 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2hc5 n ARG 5 N -2.25 1.66 -2.20 3.49 1.74 -0.93 -3.49 116.66 114.68 2hc5 n ARG 5 Ca 0.01 -1.54 -0.39 0.00 -0.77 0.00 0.00 57.85 55.16 2hc5 n ARG 5 Cb 0.16 -1.21 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 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 -0.90 3.25 -0.15 0.55 2.96 -0.40 -4.77 118.68 119.21 2hc5 s LEU 6 Ca 0.16 0.01 0.15 0.00 -0.22 0.00 0.00 54.13 54.23 2hc5 s LEU 6 Cb 0.09 -2.54 0.34 0.00 0.50 0.00 0.00 46.19 44.58 2hc5 s LEU 6 CO 0.13 -2.22 1.17 1.07 -1.32 0.00 0.00 176.35 175.18 2hc5 n THR 7 N 7.00 1.90 -4.09 3.68 5.66 -1.26 -1.58 114.28 125.59 2hc5 n THR 7 Ca 0.17 -2.55 -0.14 0.00 -3.05 0.00 0.00 64.05 58.47 2hc5 n THR 7 Cb 0.51 -0.18 -0.14 0.00 -1.55 0.00 0.00 70.33 68.97 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 -2.84 0.37 -0.86 1.09 -1.32 -1.26 -4.84 115.64 105.97 2hc5 s THR 8 Ca 0.33 -0.42 0.08 0.00 -1.21 0.00 0.00 61.69 60.48 2hc5 s THR 8 Cb 0.31 -0.36 0.15 0.00 -1.51 0.00 0.00 72.50 71.09 2hc5 s THR 8 CO -0.02 -0.04 0.98 0.18 -2.21 0.00 0.00 174.62 173.51 2hc5 n LEU 9 N 2.57 2.20 0.01 9.08 7.99 -1.26 -4.75 117.00 132.84 2hc5 n LEU 9 Ca -0.15 -1.51 -0.11 0.00 -0.01 0.00 0.00 56.01 54.22 2hc5 n LEU 9 Cb 0.57 -0.09 -0.06 0.00 -0.11 0.00 0.00 43.42 43.74 2hc5 n LEU 9 CO 0.24 0.51 0.87 -0.61 -1.51 0.00 0.00 177.39 176.89 2hc5 h GLN 10 N 1.57 0.04 -0.20 3.23 5.75 -1.98 0.17 115.11 123.69 2hc5 h GLN 10 Ca 0.00 -0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.56 2hc5 h GLN 10 Cb 0.51 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 2hc5 h GLN 10 CO 0.00 0.02 0.19 -1.35 -2.65 0.00 0.00 178.83 175.04 2hc5 h PRO 11 N 0.04 0.00 0.01 -2.39 0.11 -1.99 0.41 132.00 128.19 2hc5 h PRO 11 Ca 0.03 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 2hc5 h PRO 11 Cb 0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.14 2hc5 h PRO 11 CO -0.05 0.00 -0.05 0.28 -0.21 0.00 0.00 178.00 177.97 2hc5 h VAL 12 N 0.00 1.77 -0.46 3.15 2.07 -1.59 -2.96 116.25 118.24 2hc5 h VAL 12 Ca 0.09 -2.33 -0.01 0.00 0.82 0.00 0.00 66.70 65.28 2hc5 h VAL 12 Cb 0.47 3.36 -0.02 0.00 -1.52 0.00 0.00 31.29 33.58 2hc5 h VAL 12 CO -0.00 0.61 0.25 -0.50 0.02 0.00 0.00 177.57 177.95 2hc5 h TRP 13 N -0.95 0.63 -0.43 1.57 -0.00 -0.08 0.54 115.95 117.23 2hc5 h TRP 13 Ca -0.01 -0.02 0.09 0.00 -0.00 0.00 0.00 58.89 58.95 2hc5 h TRP 13 Cb 1.02 -0.20 -0.08 0.00 -0.00 0.00 0.00 29.16 29.90 2hc5 h TRP 13 CO 0.27 0.48 -0.09 0.22 -0.00 0.00 0.00 178.44 179.32 2hc5 h ASP 14 N 0.61 -0.37 -0.33 -3.49 1.82 -0.33 -0.23 116.42 114.09 2hc5 h ASP 14 Ca 0.16 0.13 -0.16 0.00 -0.39 0.00 0.00 57.03 56.76 2hc5 h ASP 14 Cb 0.06 0.25 -0.00 0.00 0.68 0.00 0.00 39.33 40.32 2hc5 h ASP 14 CO -0.03 -0.13 -0.43 -0.09 -1.61 0.00 0.00 179.24 176.96 2hc5 h ARG 15 N 0.01 0.88 -0.20 0.28 2.43 -1.27 -2.53 114.38 113.99 2hc5 h ARG 15 Ca 0.21 -0.50 0.04 0.00 -0.81 0.00 0.00 59.98 58.92 2hc5 h ARG 15 Cb 0.32 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.86 2hc5 h ARG 15 CO -0.43 1.14 -0.06 -0.92 -1.51 0.00 0.00 179.97 178.19 2hc5 h TYR 16 N 0.67 -0.14 0.00 2.20 3.20 0.64 -0.66 116.97 122.87 2hc5 h TYR 16 Ca 0.04 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 2hc5 h TYR 16 Cb 1.03 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.38 2hc5 h TYR 16 CO 0.07 -0.11 -0.28 -0.44 -1.64 0.00 0.00 178.16 175.76 2hc5 h ASP 17 N -0.02 0.00 0.85 -2.11 3.32 -1.07 0.50 116.42 117.88 2hc5 h ASP 17 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2hc5 h ASP 17 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2hc5 h ASP 17 CO -0.22 0.28 0.00 0.41 -1.72 0.00 0.00 179.24 177.99 2hc5 n THR 18 N -3.72 0.60 -0.11 0.35 -1.04 -0.39 -1.59 114.28 108.38 2hc5 n THR 18 Ca -0.01 0.09 -0.19 0.00 -2.04 0.00 0.00 64.05 61.90 2hc5 n THR 18 Cb 0.39 -0.81 -0.10 0.00 -1.82 0.00 0.00 70.33 67.99 2hc5 n THR 18 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hc5 n GLN 19 N -1.75 0.54 0.29 -2.82 6.02 -0.42 -4.51 117.38 114.72 2hc5 n GLN 19 Ca 0.05 0.16 0.19 0.00 -0.01 0.00 0.00 57.00 57.39 2hc5 n GLN 19 Cb 0.27 -1.41 0.97 0.00 1.02 0.00 0.00 30.24 31.09 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 -0.29 0.00 0.00 5.09 5.03 0.00 0.36 117.51 127.71 2hc5 h ILE 20 Ca -0.53 -0.13 0.00 0.00 -0.12 0.00 0.00 64.86 64.08 2hc5 h ILE 20 Cb 1.69 1.04 0.00 0.00 -3.03 0.00 0.00 36.82 36.51 2hc5 h ILE 20 CO -0.17 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 177.30 2hc5 n HIS 21 N -2.91 0.00 0.00 1.37 1.44 -0.62 -3.73 115.22 110.77 2hc5 n HIS 21 Ca -0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 2hc5 n HIS 21 Cb 0.13 -0.15 0.00 0.00 0.12 0.00 0.00 29.99 30.09 2hc5 n HIS 21 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 2hc5 n ASN 22 N -1.15 3.15 -0.77 4.39 4.05 0.11 -5.12 115.26 119.92 2hc5 n ASN 22 Ca 0.18 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.21 2hc5 n ASN 22 Cb 0.17 0.00 -0.00 0.00 1.23 0.00 0.00 39.78 41.18 2hc5 n ASN 22 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2hc5 n GLN 23 N -2.50 -0.01 -2.11 1.20 6.02 0.10 -5.01 117.38 115.07 2hc5 n GLN 23 Ca 0.00 0.01 -0.04 0.00 -0.01 0.00 0.00 57.00 56.96 2hc5 n GLN 23 Cb 0.46 -0.01 0.02 0.00 1.02 0.00 0.00 30.24 31.73 2hc5 n GLN 23 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2hc5 n LYS 24 N -1.54 -0.71 -3.35 -1.09 4.81 -1.26 -4.41 118.16 110.60 2hc5 n LYS 24 Ca 0.00 0.48 -0.18 0.00 -0.87 0.00 0.00 58.31 57.73 2hc5 n LYS 24 Cb 0.00 -3.05 0.06 0.00 0.02 0.00 0.00 35.03 32.06 2hc5 n LYS 24 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2hc5 n ASP 25 N -1.87 -6.39 -4.56 3.14 9.92 -1.26 -4.86 116.55 110.68 2hc5 n ASP 25 Ca -0.02 -0.76 -0.35 0.00 -0.53 0.00 0.00 54.79 53.13 2hc5 n ASP 25 Cb 0.53 -4.75 -0.04 0.00 -0.64 0.00 0.00 41.12 36.23 2hc5 n ASP 25 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 2hc5 s ASN 26 N -3.38 5.93 0.16 -2.24 3.84 -1.26 -4.90 114.94 113.09 2hc5 s ASN 26 Ca 0.44 -1.08 -0.18 0.00 0.21 0.00 0.00 52.86 52.25 2hc5 s ASN 26 Cb -0.08 -2.56 -0.07 0.00 -0.55 0.00 0.00 41.25 37.98 2hc5 s ASN 26 CO 0.77 -2.02 0.63 -0.62 -2.79 0.00 0.00 177.10 173.07 2hc5 s ASP 27 N 6.21 6.99 0.00 -4.21 2.15 -1.26 -4.27 116.67 122.28 2hc5 s ASP 27 Ca 0.56 1.27 0.00 0.00 0.43 0.00 0.00 52.55 54.81 2hc5 s ASP 27 Cb -0.03 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 2hc5 s ASP 27 CO -0.05 0.11 0.00 -3.20 -0.17 0.00 0.00 175.17 171.86 2hc5 n ASN 28 N 0.97 0.00 -0.85 -0.34 4.05 -1.26 -4.95 115.26 112.88 2hc5 n ASN 28 Ca -0.05 0.01 0.00 0.00 0.45 0.00 0.00 54.58 54.99 2hc5 n ASN 28 Cb 0.51 -0.04 -0.00 0.00 1.23 0.00 0.00 39.78 41.48 2hc5 n ASN 28 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2hc5 n GLU 29 N -1.38 0.00 -3.76 1.20 1.02 -1.26 -5.11 120.64 111.35 2hc5 n GLU 29 Ca 0.00 -1.08 -0.37 0.00 -0.02 0.00 0.00 57.16 55.69 2hc5 n GLU 29 Cb 0.00 -0.12 -0.07 0.00 -0.02 0.00 0.00 31.44 31.24 2hc5 n GLU 29 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2hc5 s VAL 30 N 0.00 5.40 -1.13 2.62 -7.23 -1.26 -5.01 120.40 113.79 2hc5 s VAL 30 Ca 0.10 0.33 -0.21 0.00 -1.81 0.00 0.00 61.98 60.38 2hc5 s VAL 30 Cb 0.11 -3.48 0.02 0.00 0.56 0.00 0.00 36.38 33.59 2hc5 s VAL 30 CO -0.05 0.55 1.69 -2.16 -0.31 0.00 0.00 175.10 174.83 2hc5 s PRO 31 N -0.57 3.42 -0.24 4.82 0.04 -1.26 -4.87 135.00 136.33 2hc5 s PRO 31 Ca 0.15 -1.31 -0.19 0.00 0.04 0.00 0.00 61.00 59.68 2hc5 s PRO 31 Cb -0.13 -5.36 0.07 0.00 0.04 0.00 0.00 34.50 29.12 2hc5 s PRO 31 CO 0.04 -2.66 0.62 0.54 0.04 0.00 0.00 177.00 175.58 2hc5 s VAL 32 N 6.35 -0.00 0.00 -0.36 0.11 -1.26 -5.03 120.40 120.21 2hc5 s VAL 32 Ca 0.56 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.62 2hc5 s VAL 32 Cb 0.00 -0.88 0.00 0.00 -1.53 0.00 0.00 36.38 33.97 2hc5 s VAL 32 CO 0.01 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 171.78 2hc5 n HIS 33 N 3.32 0.00 -3.98 1.54 1.44 -1.26 -5.06 115.22 111.22 2hc5 n HIS 33 Ca -0.16 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.19 2hc5 n HIS 33 Cb 0.56 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.54 2hc5 n HIS 33 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 2hc5 s GLN 34 N -1.00 3.52 -0.11 -1.40 -0.44 -1.26 -5.10 119.66 113.87 2hc5 s GLN 34 Ca 0.00 -0.56 0.00 0.00 -2.50 0.00 0.00 55.36 52.30 2hc5 s GLN 34 Cb 0.00 -3.08 -0.02 0.00 -1.64 0.00 0.00 33.01 28.27 2hc5 s GLN 34 CO 0.00 -0.09 -0.12 0.08 0.50 0.00 0.00 175.29 175.66 2hc5 s VAL 35 N 1.26 3.22 0.40 1.34 1.01 -1.26 -5.06 120.40 121.32 2hc5 s VAL 35 Ca 0.03 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.43 2hc5 s VAL 35 Cb -0.15 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 2hc5 s VAL 35 CO 0.00 0.54 0.10 -0.55 0.00 0.00 0.00 175.10 175.19 2hc5 s SER 36 N 0.03 2.84 0.12 3.32 0.15 -1.26 -5.01 113.70 113.88 2hc5 s SER 36 Ca -0.03 -1.60 -0.28 0.00 0.70 0.00 0.00 55.95 54.74 2hc5 s SER 36 Cb -0.14 0.36 -0.08 0.00 -1.71 0.00 0.00 66.02 64.45 2hc5 s SER 36 CO 0.04 -0.84 1.62 0.22 1.20 0.00 0.00 173.24 175.48 2hc5 h TYR 37 N 1.82 -0.84 -0.78 3.44 5.03 -2.00 -0.61 116.97 123.02 2hc5 h TYR 37 Ca -0.38 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 60.93 2hc5 h TYR 37 Cb 1.27 0.36 -0.04 0.00 1.55 0.00 0.00 36.73 39.88 2hc5 h TYR 37 CO 1.28 -0.41 0.39 1.15 -1.32 0.00 0.00 178.16 179.25 2hc5 h THR 38 N -0.51 1.24 -0.41 1.81 2.02 -2.00 -2.67 112.91 112.39 2hc5 h THR 38 Ca 0.04 -0.67 0.05 0.00 0.77 0.00 0.00 66.41 66.61 2hc5 h THR 38 Cb 0.56 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 67.16 2hc5 h THR 38 CO -0.20 0.29 0.14 0.78 0.37 0.00 0.00 175.52 176.89 2hc5 h ASN 39 N 1.10 0.15 -0.31 4.18 -0.26 -1.85 -1.97 115.58 116.61 2hc5 h ASN 39 Ca 0.27 0.05 0.05 0.00 -0.56 0.00 0.00 56.30 56.11 2hc5 h ASN 39 Cb 0.09 0.04 -0.05 0.00 -1.06 0.00 0.00 38.32 37.34 2hc5 h ASN 39 CO -0.04 0.12 0.02 -0.07 -1.06 0.00 0.00 177.43 176.40 2hc5 h LEU 40 N 0.30 -0.08 -1.65 1.61 3.38 -0.78 0.30 115.31 118.40 2hc5 h LEU 40 Ca 0.19 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 2hc5 h LEU 40 Cb 0.18 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2hc5 h LEU 40 CO -0.20 -0.00 0.20 0.00 0.09 0.00 0.00 178.44 178.53 2hc5 h ALA 41 N 1.25 1.74 0.01 1.53 0.00 -1.26 0.19 119.26 122.73 2hc5 h ALA 41 Ca 0.15 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2hc5 h ALA 41 Cb 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2hc5 h ALA 41 CO -0.23 0.23 -0.01 0.93 0.00 0.00 0.00 179.25 180.18 2hc5 h GLU 42 N 0.45 -0.02 -0.48 0.00 4.39 -0.47 -2.30 114.58 116.14 2hc5 h GLU 42 Ca 0.12 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 2hc5 h GLU 42 Cb -0.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 2hc5 h GLU 42 CO -0.02 0.71 -0.10 0.52 -1.16 0.00 0.00 179.01 178.95 2hc5 h MET 43 N -0.80 0.89 -0.53 2.33 2.86 -0.23 -0.92 114.93 118.54 2hc5 h MET 43 Ca -0.00 -0.31 -0.05 0.00 -2.06 0.00 0.00 59.70 57.28 2hc5 h MET 43 Cb 0.74 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 2hc5 h MET 43 CO 0.00 0.95 0.12 0.28 1.06 0.00 0.00 176.91 179.32 2hc5 h VAL 44 N 0.80 1.22 -0.57 -2.22 2.07 -0.74 -1.16 116.25 115.66 2hc5 h VAL 44 Ca 0.13 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 2hc5 h VAL 44 Cb 0.62 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2hc5 h VAL 44 CO 0.04 0.30 0.18 1.23 0.02 0.00 0.00 177.57 179.35 2hc5 h GLY 45 N 0.96 0.94 2.00 2.17 0.00 -0.80 -2.73 103.07 105.62 2hc5 h GLY 45 Ca 0.17 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 2hc5 h GLY 45 CO -0.00 0.52 -0.11 1.05 0.00 0.00 0.00 176.54 177.99 2hc5 h GLU 46 N 0.79 0.00 -0.71 4.80 4.11 -0.86 -2.56 114.58 120.16 2hc5 h GLU 46 Ca 0.18 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.57 2hc5 h GLU 46 Cb 0.27 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2hc5 h GLU 46 CO -0.01 0.11 0.27 0.52 0.07 0.00 0.00 179.01 179.98 2hc5 h MET 47 N 0.00 1.06 -0.57 1.06 2.86 -0.91 -2.74 114.93 115.69 2hc5 h MET 47 Ca -0.00 -0.19 -0.09 0.00 -2.06 0.00 0.00 59.70 57.36 2hc5 h MET 47 Cb 0.83 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 2hc5 h MET 47 CO 0.01 0.87 0.01 -0.91 1.06 0.00 0.00 176.91 177.95 2hc5 h ASN 48 N 1.03 0.97 0.72 1.22 2.35 -1.30 -2.75 115.58 117.83 2hc5 h ASN 48 Ca 0.24 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2hc5 h ASN 48 Cb 0.22 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.33 2hc5 h ASN 48 CO -0.02 1.04 0.00 2.29 -1.65 0.00 0.00 177.43 179.09 2hc5 n LYS 49 N -4.25 0.08 0.01 0.81 -0.00 -1.12 -0.79 118.16 112.91 2hc5 n LYS 49 Ca 0.02 0.09 0.12 0.00 -0.00 0.00 0.00 58.31 58.54 2hc5 n LYS 49 Cb 0.33 -1.50 0.24 0.00 -0.00 0.00 0.00 35.03 34.10 2hc5 n LYS 49 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2hc5 n LEU 50 N -1.45 0.52 0.00 -5.58 4.77 -1.04 -3.76 117.00 110.45 2hc5 n LEU 50 Ca 0.07 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2hc5 n LEU 50 Cb 0.25 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2hc5 n LEU 50 CO 0.21 0.08 0.38 0.18 -1.33 0.00 0.00 177.39 176.91 2hc5 n LEU 51 N -1.63 1.40 -0.01 2.23 4.77 -0.75 -4.76 117.00 118.23 2hc5 n LEU 51 Ca 0.05 -1.40 -0.12 0.00 -0.03 0.00 0.00 56.01 54.51 2hc5 n LEU 51 Cb 0.36 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.37 2hc5 n LEU 51 CO 0.35 0.35 0.76 -0.08 -1.33 0.00 0.00 177.39 177.44 2hc5 h GLU 52 N 0.00 0.11 -0.95 3.23 4.81 -1.05 -2.93 114.58 117.80 2hc5 h GLU 52 Ca 0.00 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.07 2hc5 h GLU 52 Cb 0.46 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.75 2hc5 h GLU 52 CO 0.00 0.34 0.16 -0.35 -0.73 0.00 0.00 179.01 178.43 2hc5 n PRO 53 N -4.89 1.81 -3.97 0.92 -0.04 -1.26 -4.89 135.00 122.68 2hc5 n PRO 53 Ca -0.07 -1.14 -0.26 0.00 -0.04 0.00 0.00 63.50 61.99 2hc5 n PRO 53 Cb 0.16 -1.56 -0.02 0.00 -0.04 0.00 0.00 33.50 32.04 2hc5 n PRO 53 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2hc5 n SER 54 N 0.00 2.89 0.07 3.54 3.41 -1.11 -3.01 113.62 119.41 2hc5 n SER 54 Ca 0.18 -2.86 0.10 0.00 -0.26 0.00 0.00 58.87 56.03 2hc5 n SER 54 Cb 0.83 0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 64.84 2hc5 n SER 54 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2hc5 n GLN 55 N -1.47 0.62 -2.52 4.33 7.27 -0.90 -4.78 117.38 119.93 2hc5 n GLN 55 Ca -0.09 0.06 -0.42 0.00 0.07 0.00 0.00 57.00 56.62 2hc5 n GLN 55 Cb 0.58 -1.76 -0.02 0.00 2.41 0.00 0.00 30.24 31.45 2hc5 n GLN 55 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 2hc5 s VAL 56 N -3.35 3.93 -1.09 1.69 -7.23 -0.61 -4.86 120.40 108.89 2hc5 s VAL 56 Ca -0.02 0.82 -0.03 0.00 -1.81 0.00 0.00 61.98 60.93 2hc5 s VAL 56 Cb 0.10 -4.63 0.29 0.00 0.56 0.00 0.00 36.38 32.70 2hc5 s VAL 56 CO 0.82 -1.29 1.71 1.41 -0.31 0.00 0.00 175.10 177.44 2hc5 n HIS 57 N 8.83 2.50 -3.25 2.82 8.25 -1.26 -4.87 115.22 128.24 2hc5 n HIS 57 Ca 0.10 -2.59 -0.39 0.00 -0.26 0.00 0.00 57.72 54.57 2hc5 n HIS 57 Cb 0.49 -1.32 -0.07 0.00 1.12 0.00 0.00 29.99 30.21 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 -3.18 4.11 -0.25 2.41 1.02 -1.26 -3.03 118.68 118.50 2hc5 s LEU 58 Ca 0.36 0.61 -0.12 0.00 0.02 0.00 0.00 54.13 55.00 2hc5 s LEU 58 Cb 0.12 -2.68 -0.05 0.00 0.02 0.00 0.00 46.19 43.60 2hc5 s LEU 58 CO -0.00 -0.22 0.24 -0.54 0.02 0.00 0.00 176.35 175.85 2hc5 s LYS 59 N 1.87 4.04 -0.17 1.70 1.02 0.69 -4.85 119.74 124.04 2hc5 s LYS 59 Ca 0.23 -0.17 -0.16 0.00 0.02 0.00 0.00 55.97 55.89 2hc5 s LYS 59 Cb -0.15 -3.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.52 2hc5 s LYS 59 CO 0.09 -0.07 0.40 -0.06 -0.92 0.00 0.00 175.35 174.79 2hc5 s PHE 60 N 1.44 3.43 -0.07 3.18 0.08 -1.26 0.04 117.98 124.82 2hc5 s PHE 60 Ca 0.10 0.68 0.05 0.00 0.12 0.00 0.00 56.93 57.88 2hc5 s PHE 60 Cb -0.15 -2.50 -0.01 0.00 -0.57 0.00 0.00 43.02 39.79 2hc5 s PHE 60 CO 0.08 0.09 -0.22 -1.21 -0.10 0.00 0.00 175.22 173.85 2hc5 s GLU 61 N 0.97 2.70 -0.72 0.44 0.41 0.34 -4.91 118.70 117.92 2hc5 s GLU 61 Ca 0.20 -0.85 -0.13 0.00 -0.41 0.00 0.00 54.97 53.79 2hc5 s GLU 61 Cb -0.14 -2.26 0.19 0.00 -1.78 0.00 0.00 34.13 30.13 2hc5 s GLU 61 CO 0.08 0.37 0.64 -1.17 -0.49 0.00 0.00 175.26 174.69 2hc5 s LEU 62 N -0.13 6.38 -0.18 1.80 2.96 -1.26 0.13 118.68 128.38 2hc5 s LEU 62 Ca -0.04 -2.49 -0.06 0.00 -0.22 0.00 0.00 54.13 51.31 2hc5 s LEU 62 Cb -0.14 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 2hc5 s LEU 62 CO 0.04 -0.61 0.04 -1.00 -1.32 0.00 0.00 176.35 173.50 2hc5 s HIS 63 N 0.48 3.18 0.20 5.38 3.76 -1.10 -4.95 115.29 122.24 2hc5 s HIS 63 Ca 0.14 -0.06 0.00 0.00 -0.15 0.00 0.00 55.06 54.99 2hc5 s HIS 63 Cb -0.16 -2.06 -0.04 0.00 1.11 0.00 0.00 32.58 31.43 2hc5 s HIS 63 CO -0.05 0.07 0.38 0.16 -0.85 0.00 0.00 174.74 174.44 2hc5 s ASP 64 N 0.46 6.37 -0.13 1.40 -4.77 -1.26 -2.46 116.67 116.28 2hc5 s ASP 64 Ca 0.01 0.35 -0.10 0.00 -3.30 0.00 0.00 52.55 49.52 2hc5 s ASP 64 Cb -0.13 -1.99 0.04 0.00 -1.09 0.00 0.00 42.92 39.75 2hc5 s ASP 64 CO 0.01 -0.04 0.34 -1.59 0.70 0.00 0.00 175.17 174.60 2hc5 s LYS 65 N -3.36 0.36 1.02 2.11 -2.85 0.67 -4.95 119.74 112.74 2hc5 s LYS 65 Ca 0.38 0.56 0.00 0.00 -1.00 0.00 0.00 55.97 55.91 2hc5 s LYS 65 Cb -0.11 0.09 0.00 0.00 -2.06 0.00 0.00 37.83 35.75 2hc5 s LYS 65 CO 0.29 -0.09 0.00 1.28 0.10 0.00 0.00 175.35 176.93 2hc5 n LEU 66 N 3.46 0.00 0.00 2.77 7.99 -1.26 0.63 117.00 130.59 2hc5 n LEU 66 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.82 2hc5 n LEU 66 Cb 0.56 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.87 2hc5 n LEU 66 CO 0.13 0.00 0.22 -3.20 -1.51 0.00 0.00 177.39 173.03 2hc5 n ASN 67 N 1.97 0.68 -4.02 -1.43 5.15 -1.26 -5.09 115.26 111.27 2hc5 n ASN 67 Ca 0.00 -1.20 -0.26 0.00 -0.60 0.00 0.00 54.58 52.53 2hc5 n ASN 67 Cb 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.17 2hc5 n ASN 67 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2hc5 s GLU 68 N -0.20 1.95 0.11 1.20 2.02 0.20 -5.17 118.70 118.82 2hc5 s GLU 68 Ca 0.00 -2.20 -0.25 0.00 0.02 0.00 0.00 54.97 52.54 2hc5 s GLU 68 Cb 0.00 -0.52 0.07 0.00 0.10 0.00 0.00 34.13 33.79 2hc5 s GLU 68 CO 0.00 -0.52 0.63 1.52 0.02 0.00 0.00 175.26 176.91 2hc5 s TYR 69 N -3.21 -0.56 0.21 1.61 -0.85 -1.26 -0.24 117.35 113.05 2hc5 s TYR 69 Ca 0.24 0.50 -0.16 0.00 -0.52 0.00 0.00 57.07 57.13 2hc5 s TYR 69 Cb 0.02 0.53 0.02 0.00 0.38 0.00 0.00 41.96 42.90 2hc5 s TYR 69 CO 0.16 -0.78 0.50 1.52 -1.52 0.00 0.00 175.55 175.42 2hc5 s TYR 70 N -3.16 0.03 -0.36 -3.49 -0.85 -1.03 -4.30 117.35 104.19 2hc5 s TYR 70 Ca -0.01 -0.39 -0.14 0.00 -0.52 0.00 0.00 57.07 56.01 2hc5 s TYR 70 Cb -0.01 0.32 -0.01 0.00 0.38 0.00 0.00 41.96 42.65 2hc5 s TYR 70 CO -0.08 -0.93 0.29 0.08 -1.52 0.00 0.00 175.55 173.39 2hc5 s VAL 71 N -3.91 5.24 -0.02 -3.49 1.01 0.67 -2.70 120.40 117.20 2hc5 s VAL 71 Ca 0.13 -0.27 -0.21 0.00 0.00 0.00 0.00 61.98 61.63 2hc5 s VAL 71 Cb -0.01 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 2hc5 s VAL 71 CO 0.00 -0.12 0.60 -0.54 0.00 0.00 0.00 175.10 175.05 2hc5 s LYS 72 N 1.80 4.34 -0.36 2.72 1.02 0.12 -0.17 119.74 129.20 2hc5 s LYS 72 Ca 0.07 0.73 -0.12 0.00 0.02 0.00 0.00 55.97 56.68 2hc5 s LYS 72 Cb -0.18 -3.36 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 2hc5 s LYS 72 CO 0.11 0.31 0.23 0.08 -0.92 0.00 0.00 175.35 175.16 2hc5 s VAL 73 N -0.00 4.96 -0.24 3.17 1.01 0.91 -0.51 120.40 129.70 2hc5 s VAL 73 Ca 0.32 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.69 2hc5 s VAL 73 Cb -0.18 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2hc5 s VAL 73 CO 0.17 -0.12 0.09 -0.63 0.00 0.00 0.00 175.10 174.61 2hc5 s ILE 74 N 1.65 4.60 -0.08 2.22 1.01 0.11 -1.10 121.20 129.60 2hc5 s ILE 74 Ca 0.05 -0.08 -0.30 0.00 0.00 0.00 0.00 60.65 60.32 2hc5 s ILE 74 Cb -0.18 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 39.13 2hc5 s ILE 74 CO 0.09 0.36 1.03 -0.70 0.00 0.00 0.00 174.94 175.72 2hc5 s GLU 75 N 1.29 4.43 0.11 2.79 -6.30 0.36 -0.23 118.70 121.15 2hc5 s GLU 75 Ca 0.05 1.44 -0.28 0.00 -2.50 0.00 0.00 54.97 53.69 2hc5 s GLU 75 Cb -0.15 -3.53 -0.09 0.00 0.00 0.00 0.00 34.13 30.37 2hc5 s GLU 75 CO 0.04 -0.30 1.63 0.22 0.02 0.00 0.00 175.26 176.88 2hc5 h ASP 76 N 7.10 -0.78 -0.14 -1.70 3.58 -1.86 0.22 116.42 122.84 2hc5 h ASP 76 Ca -0.33 0.09 -0.08 0.00 0.42 0.00 0.00 57.03 57.12 2hc5 h ASP 76 Cb 1.16 0.29 0.00 0.00 1.72 0.00 0.00 39.33 42.50 2hc5 h ASP 76 CO 0.84 -0.37 -0.24 -1.28 -2.88 0.00 0.00 179.24 175.31 2hc5 h SER 77 N -0.50 0.46 1.63 2.28 0.87 -1.93 -3.08 113.55 113.27 2hc5 h SER 77 Ca 0.03 -0.54 -0.06 0.00 -1.23 0.00 0.00 61.79 59.99 2hc5 h SER 77 Cb 0.52 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 2hc5 h SER 77 CO -0.15 0.91 -0.27 0.74 -0.53 0.00 0.00 176.83 177.53 2hc5 h THR 78 N 0.02 0.48 -0.46 2.23 2.02 -1.99 -3.47 112.91 111.74 2hc5 h THR 78 Ca 0.01 -1.61 -0.20 0.00 0.77 0.00 0.00 66.41 65.38 2hc5 h THR 78 Cb 0.83 2.18 -0.08 0.00 -1.74 0.00 0.00 68.15 69.34 2hc5 h THR 78 CO 0.06 0.27 -0.18 0.59 0.37 0.00 0.00 175.52 176.62 2hc5 n ASN 79 N -3.19 -4.43 -4.79 4.18 5.03 0.78 -5.00 115.26 107.84 2hc5 n ASN 79 Ca 0.03 0.24 -0.22 0.00 0.87 0.00 0.00 54.58 55.50 2hc5 n ASN 79 Cb 0.62 -2.79 -0.05 0.00 -1.02 0.00 0.00 39.78 36.54 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 -2.68 2.57 -0.56 3.52 -1.05 -1.22 -4.85 118.70 114.43 2hc5 s GLU 80 Ca 0.00 -1.38 -0.20 0.00 -0.15 0.00 0.00 54.97 53.24 2hc5 s GLU 80 Cb 0.00 -2.34 0.08 0.00 -0.44 0.00 0.00 34.13 31.43 2hc5 s GLU 80 CO 0.00 0.15 0.71 0.08 0.95 0.00 0.00 175.26 177.15 2hc5 s VAL 81 N -2.34 4.77 -1.41 1.83 1.01 -1.26 -0.49 120.40 122.51 2hc5 s VAL 81 Ca 0.38 -0.65 0.27 0.00 0.00 0.00 0.00 61.98 61.98 2hc5 s VAL 81 Cb -0.05 -4.43 0.26 0.00 0.00 0.00 0.00 36.38 32.16 2hc5 s VAL 81 CO 0.24 -1.02 1.68 2.30 0.00 0.00 0.00 175.10 178.30 2hc5 n ILE 82 N 5.65 0.00 -3.58 2.22 -5.35 -0.26 -4.86 119.36 113.18 2hc5 n ILE 82 Ca -0.07 -0.05 -0.12 0.00 -0.27 0.00 0.00 62.75 62.24 2hc5 n ILE 82 Cb 0.44 0.06 -0.06 0.00 -1.74 0.00 0.00 39.64 38.34 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 -2.69 0.69 -0.08 6.28 6.06 -1.23 -5.04 118.95 122.93 2hc5 s ARG 83 Ca 0.21 0.28 0.01 0.00 -2.50 0.00 0.00 55.73 53.73 2hc5 s ARG 83 Cb 0.19 0.33 0.02 0.00 0.06 0.00 0.00 34.95 35.55 2hc5 s ARG 83 CO 0.55 -0.19 -0.08 -1.21 -2.50 0.00 0.00 175.30 171.87 2hc5 s GLU 84 N -0.84 1.44 -0.25 5.12 2.02 -1.26 -0.07 118.70 124.86 2hc5 s GLU 84 Ca -0.03 -0.27 -0.04 0.00 0.02 0.00 0.00 54.97 54.65 2hc5 s GLU 84 Cb -0.01 -1.37 0.00 0.00 0.10 0.00 0.00 34.13 32.85 2hc5 s GLU 84 CO 0.02 -0.13 -0.01 0.42 0.02 0.00 0.00 175.26 175.58 2hc5 s ILE 85 N 1.20 3.44 0.37 -1.63 1.09 0.76 -4.95 121.20 121.47 2hc5 s ILE 85 Ca -0.05 -0.65 -0.24 0.00 -1.10 0.00 0.00 60.65 58.61 2hc5 s ILE 85 Cb -0.14 -2.66 -0.10 0.00 -1.06 0.00 0.00 42.46 38.50 2hc5 s ILE 85 CO -0.02 0.28 0.98 -2.16 -0.10 0.00 0.00 174.94 173.92 2hc5 s PRO 86 N 1.45 4.39 0.67 2.79 0.04 -1.26 -0.24 135.00 142.85 2hc5 s PRO 86 Ca 0.04 1.34 0.45 0.00 0.04 0.00 0.00 61.00 62.87 2hc5 s PRO 86 Cb -0.16 -2.60 2.44 0.00 0.04 0.00 0.00 34.50 34.22 2hc5 s PRO 86 CO -0.02 0.09 2.38 -1.35 0.04 0.00 0.00 177.00 178.14 2hc5 h PRO 87 N 2.73 0.00 0.00 0.56 0.11 -1.96 0.61 132.00 134.04 2hc5 h PRO 87 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2hc5 h PRO 87 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2hc5 h PRO 87 CO 0.63 0.00 0.00 0.36 -0.21 0.00 0.00 178.00 178.78 2hc5 n LYS 88 N -3.09 0.92 -0.55 1.05 2.85 -1.26 -2.28 118.16 115.80 2hc5 n LYS 88 Ca -0.03 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.26 2hc5 n LYS 88 Cb 0.07 -1.50 0.04 0.00 -0.65 0.00 0.00 35.03 32.99 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 -1.02 0.34 -0.08 -1.58 1.74 0.17 -4.80 116.66 111.43 2hc5 n ARG 89 Ca 0.22 -1.57 -0.15 0.00 -0.77 0.00 0.00 57.85 55.59 2hc5 n ARG 89 Cb 0.12 -0.70 -0.04 0.00 -1.02 0.00 0.00 32.46 30.82 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 0.18 1.04 -0.30 -1.55 2.91 -1.10 -2.74 115.95 114.38 2hc5 h TRP 90 Ca -0.03 -0.36 -0.09 0.00 1.13 0.00 0.00 58.89 59.54 2hc5 h TRP 90 Cb 1.36 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 29.80 2hc5 h TRP 90 CO 0.12 1.17 -0.20 -0.07 -1.03 0.00 0.00 178.44 178.43 2hc5 h LEU 91 N 0.60 0.56 -0.68 0.65 4.07 -1.91 0.26 115.31 118.87 2hc5 h LEU 91 Ca 0.02 -0.18 -0.02 0.00 0.08 0.00 0.00 57.88 57.78 2hc5 h LEU 91 Cb 1.08 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.64 2hc5 h LEU 91 CO 0.11 0.77 0.34 0.44 -1.08 0.00 0.00 178.44 179.02 2hc5 h ASP 92 N 0.51 0.88 -0.15 -0.43 5.19 -1.72 -0.08 116.42 120.61 2hc5 h ASP 92 Ca 0.08 -0.12 -0.08 0.00 -0.62 0.00 0.00 57.03 56.29 2hc5 h ASP 92 Cb 0.63 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.92 2hc5 h ASP 92 CO 0.04 0.75 -0.21 0.15 -3.12 0.00 0.00 179.24 176.86 2hc5 h PHE 93 N 0.94 0.51 -0.90 4.55 3.57 -1.08 -2.82 116.94 121.71 2hc5 h PHE 93 Ca 0.23 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2hc5 h PHE 93 Cb 0.10 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 2hc5 h PHE 93 CO 0.00 0.83 0.57 -0.92 -2.23 0.00 0.00 178.31 176.56 2hc5 h TYR 94 N 0.04 1.16 0.17 0.41 3.20 -0.33 -2.02 116.97 119.61 2hc5 h TYR 94 Ca 0.02 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 2hc5 h TYR 94 Cb 0.77 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 2hc5 h TYR 94 CO 0.09 0.75 -0.09 0.00 -1.64 0.00 0.00 178.16 177.27 2hc5 h ALA 95 N 1.39 -0.24 -0.99 1.82 0.00 -1.00 -1.80 119.26 118.44 2hc5 h ALA 95 Ca 0.33 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.32 2hc5 h ALA 95 Cb -0.10 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 2hc5 h ALA 95 CO -0.07 -0.64 0.62 0.00 0.00 0.00 0.00 179.25 179.17 2hc5 h ALA 96 N 0.58 1.59 -0.24 0.00 0.00 -1.18 0.71 119.26 120.71 2hc5 h ALA 96 Ca -0.02 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2hc5 h ALA 96 Cb 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2hc5 h ALA 96 CO 0.03 0.15 0.07 0.52 0.00 0.00 0.00 179.25 180.02 2hc5 h MET 97 N 0.93 0.37 0.00 0.00 2.07 -1.07 -0.15 114.93 117.08 2hc5 h MET 97 Ca 0.50 -0.08 -0.05 0.00 -2.07 0.00 0.00 59.70 57.99 2hc5 h MET 97 Cb 0.57 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 30.24 2hc5 h MET 97 CO -0.27 0.47 -0.24 1.79 1.07 0.00 0.00 176.91 179.73 2hc5 h THR 98 N 0.21 0.68 -0.01 2.22 1.35 -0.34 0.46 112.91 117.49 2hc5 h THR 98 Ca 0.08 -1.05 -0.04 0.00 -0.55 0.00 0.00 66.41 64.85 2hc5 h THR 98 Cb 0.25 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 2hc5 h THR 98 CO -0.00 0.24 -0.15 -0.33 -0.25 0.00 0.00 175.52 175.02 2hc5 h GLU 99 N 0.00 0.11 0.03 4.72 5.08 -0.65 -2.54 114.58 121.33 2hc5 h GLU 99 Ca -0.00 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2hc5 h GLU 99 Cb 0.65 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2hc5 h GLU 99 CO 0.03 0.85 -0.01 0.35 -1.00 0.00 0.00 179.01 179.23 2hc5 h PHE 100 N -0.58 -0.03 0.00 4.33 3.57 -0.87 -3.28 116.94 120.07 2hc5 h PHE 100 Ca -0.02 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 2hc5 h PHE 100 Cb 0.90 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 2hc5 h PHE 100 CO 0.18 0.33 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.34 2hc5 h LEU 101 N -1.00 0.00 0.00 0.59 -0.00 -0.29 -0.81 115.31 113.81 2hc5 h LEU 101 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2hc5 h LEU 101 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.03 2hc5 h LEU 101 CO 0.01 0.18 0.00 0.61 -0.00 0.00 0.00 178.44 179.23 2hc5 n GLY 102 N -0.45 -1.01 0.08 0.83 0.00 -0.95 -1.57 105.19 102.12 2hc5 n GLY 102 Ca -0.01 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.34 0.59 -1.30 0.99 4.77 -0.31 -4.13 117.00 116.26 2hc5 n LEU 103 Ca 0.08 0.24 0.09 0.00 -0.03 0.00 0.00 56.01 56.39 2hc5 n LEU 103 Cb 0.18 0.01 0.31 0.00 -2.33 0.00 0.00 43.42 41.59 2hc5 n LEU 103 CO 0.16 -0.04 0.77 0.49 -1.33 0.00 0.00 177.39 177.44 2hc5 n PHE 104 N -2.61 1.17 -0.98 -1.77 3.01 -0.61 -5.00 117.46 110.67 2hc5 n PHE 104 Ca -0.05 -0.61 -0.29 0.00 1.01 0.00 0.00 57.45 57.51 2hc5 n PHE 104 Cb 0.64 -0.18 0.17 0.00 -0.01 0.00 0.00 39.48 40.11 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 -1.70 2.34 -1.03 -4.37 -7.23 -0.85 -4.65 120.40 102.92 2hc5 s VAL 105 Ca 0.45 0.11 0.12 0.00 -1.81 0.00 0.00 61.98 60.85 2hc5 s VAL 105 Cb 0.28 -2.44 0.34 0.00 0.56 0.00 0.00 36.38 35.12 2hc5 s VAL 105 CO 0.22 -0.15 1.28 -0.67 -0.31 0.00 0.00 175.10 175.48 2hc5 n ASP 106 N -4.22 3.02 -0.58 4.85 2.03 -1.26 -5.06 116.55 115.33 2hc5 n ASP 106 Ca 0.06 -2.00 0.07 0.00 0.52 0.00 0.00 54.79 53.44 2hc5 n ASP 106 Cb 0.55 -0.26 -0.04 0.00 -0.72 0.00 0.00 41.12 40.66 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 0.62 -1.35 0.00 -0.67 4.07 -1.26 -4.82 120.64 117.23 2hc5 n GLU 107 Ca 0.13 1.11 0.00 0.00 -0.06 0.00 0.00 57.16 58.34 2hc5 n GLU 107 Cb 0.44 -1.57 0.00 0.00 -0.06 0.00 0.00 31.44 30.26 2hc5 n GLU 107 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2hc5 n LYS 108 N -2.89 0.00 -1.16 5.31 5.02 -1.26 -4.56 118.16 118.62 2hc5 n LYS 108 Ca -0.04 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.05 2hc5 n LYS 108 Cb 0.27 -0.86 0.17 0.00 -0.02 0.00 0.00 35.03 34.58 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 0.00 2.25 0.00 1.97 4.01 -1.26 -4.43 118.16 120.69 2hc5 n LYS 109 Ca 0.00 -3.14 0.00 0.00 -0.51 0.00 0.00 58.31 54.66 2hc5 n LYS 109 Cb 0.00 -2.10 0.00 0.00 -0.51 0.00 0.00 35.03 32.42 2hc5 n LYS 109 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76 2hc5 n LEU 110 N -1.10 1.24 -3.22 -0.35 -0.00 -1.26 -4.89 117.00 107.43 2hc5 n LEU 110 Ca 0.53 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 56.32 2hc5 n LEU 110 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.77 2hc5 n LEU 110 CO 0.52 0.21 -0.04 -0.62 -0.00 0.00 0.00 177.39 177.45 2hc5 n GLU 111 N -1.92 -3.50 -1.86 1.47 -0.58 -1.26 -4.83 120.64 108.16 2hc5 n GLU 111 Ca 0.00 0.55 -0.41 0.00 -0.42 0.00 0.00 57.16 56.88 2hc5 n GLU 111 Cb 0.34 -5.27 -0.03 0.00 -0.57 0.00 0.00 31.44 25.91 2hc5 n GLU 111 CO 0.00 0.00 0.00 -3.38 -0.48 0.00 0.00 177.13 173.27 2hc5 s HIS 112 N -2.93 1.54 -0.55 -0.32 -3.43 -1.26 -4.80 115.29 103.54 2hc5 s HIS 112 Ca 0.34 0.76 0.24 0.00 -0.80 0.00 0.00 55.06 55.61 2hc5 s HIS 112 Cb -0.18 -4.00 0.42 0.00 -1.43 0.00 0.00 32.58 27.39 2hc5 s HIS 112 CO 0.42 -3.04 1.47 1.12 -2.00 0.00 0.00 174.74 172.71 2hc5 h HIS 113 N 14.64 0.00 -2.41 0.38 2.07 -1.98 -3.46 115.15 124.39 2hc5 h HIS 113 Ca -0.33 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.11 2hc5 h HIS 113 Cb 1.20 0.00 -0.22 0.00 2.57 0.00 0.00 27.41 30.96 2hc5 h HIS 113 CO 0.97 0.00 -0.04 -1.58 -3.07 0.00 0.00 177.93 174.20 2hc5 s HIS 114 N -3.19 -0.56 -0.58 6.12 5.65 -1.26 -5.12 115.29 116.35 2hc5 s HIS 114 Ca 0.06 1.25 -0.21 0.00 0.25 0.00 0.00 55.06 56.42 2hc5 s HIS 114 Cb 0.10 0.23 0.07 0.00 -1.18 0.00 0.00 32.58 31.81 2hc5 s HIS 114 CO 0.69 -0.37 0.78 -1.58 -0.65 0.00 0.00 174.74 173.60 2hc5 s HIS 115 N -0.21 2.90 0.54 3.88 2.46 -1.26 -5.04 115.29 118.56 2hc5 s HIS 115 Ca -0.04 -0.60 0.09 0.00 0.47 0.00 0.00 55.06 54.98 2hc5 s HIS 115 Cb -0.03 -3.94 0.07 0.00 -0.13 0.00 0.00 32.58 28.54 2hc5 s HIS 115 CO 0.03 -1.31 0.74 -3.38 -2.47 0.00 0.00 174.74 168.35 2hc5 s HIS 116 N 3.18 1.77 0.00 3.88 -3.43 -1.26 -5.28 115.29 114.16 2hc5 s HIS 116 Ca 0.18 -0.63 0.00 0.00 -0.80 0.00 0.00 55.06 53.80 2hc5 s HIS 116 Cb -0.19 -2.26 0.00 0.00 -1.43 0.00 0.00 32.58 28.70 2hc5 s HIS 116 CO 0.11 -0.97 0.39 1.58 -2.00 0.00 0.00 174.74 173.85