#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 -0.33 0.39 -1.43 2.47 -1.26 -5.04 114.94 109.74 2hc5 s ASN 2 Ca 0.00 0.63 0.12 0.00 0.42 0.00 0.00 52.86 54.03 2hc5 s ASN 2 Cb 0.00 0.53 0.81 0.00 -1.45 0.00 0.00 41.25 41.14 2hc5 s ASN 2 CO 0.00 -0.16 1.89 -0.29 -3.72 0.00 0.00 177.10 174.82 2hc5 h ILE 3 N 5.61 1.21 0.00 -5.21 2.10 -1.91 -1.74 117.51 117.57 2hc5 h ILE 3 Ca -0.37 -0.99 0.00 0.00 1.08 0.00 0.00 64.86 64.57 2hc5 h ILE 3 Cb 1.17 1.49 0.00 0.00 -1.09 0.00 0.00 36.82 38.39 2hc5 h ILE 3 CO 0.35 0.29 0.00 -0.62 -1.08 0.00 0.00 178.15 177.09 2hc5 n GLU 4 N -4.20 0.31 -0.05 2.19 1.02 -1.25 -1.59 120.64 117.08 2hc5 n GLU 4 Ca -0.02 0.09 0.02 0.00 -0.02 0.00 0.00 57.16 57.23 2hc5 n GLU 4 Cb 0.33 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.30 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 -1.28 2.06 -2.40 3.49 1.74 -0.67 -4.40 116.66 115.21 2hc5 n ARG 5 Ca 0.10 -1.46 -0.43 0.00 -0.77 0.00 0.00 57.85 55.30 2hc5 n ARG 5 Cb 0.16 -1.10 -0.02 0.00 -1.02 0.00 0.00 32.46 30.48 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 -0.83 3.54 -0.40 0.55 2.96 -0.62 -4.88 118.68 119.00 2hc5 s LEU 6 Ca 0.08 0.61 0.03 0.00 -0.22 0.00 0.00 54.13 54.63 2hc5 s LEU 6 Cb 0.04 -3.40 0.17 0.00 0.50 0.00 0.00 46.19 43.50 2hc5 s LEU 6 CO 0.06 -1.49 0.32 0.28 -1.32 0.00 0.00 176.35 174.19 2hc5 s THR 7 N 5.50 0.30 0.16 3.68 -1.32 -1.26 -1.74 115.64 120.95 2hc5 s THR 7 Ca 0.57 -2.49 0.00 0.00 -1.21 0.00 0.00 61.69 58.55 2hc5 s THR 7 Cb -0.12 -1.23 0.00 0.00 -1.51 0.00 0.00 72.50 69.64 2hc5 s THR 7 CO 0.30 -1.20 0.00 1.07 -2.21 0.00 0.00 174.62 172.59 2hc5 n THR 8 N 3.04 0.00 -0.86 5.08 5.66 -1.26 -5.00 114.28 120.94 2hc5 n THR 8 Ca 0.27 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.27 2hc5 n THR 8 Cb 0.46 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 2hc5 n THR 8 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2hc5 n LEU 9 N -2.74 0.53 -0.07 1.09 4.77 -1.26 -4.91 117.00 114.42 2hc5 n LEU 9 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 2hc5 n LEU 9 Cb 0.00 -1.17 -0.01 0.00 -2.33 0.00 0.00 43.42 39.92 2hc5 n LEU 9 CO 0.00 -0.39 0.91 -0.61 -1.33 0.00 0.00 177.39 175.96 2hc5 h GLN 10 N 0.95 0.18 -0.44 3.23 5.75 -1.98 -0.91 115.11 121.88 2hc5 h GLN 10 Ca 0.00 -0.01 0.13 0.00 -0.15 0.00 0.00 58.65 58.62 2hc5 h GLN 10 Cb 0.25 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 2hc5 h GLN 10 CO 0.00 0.12 0.41 -1.35 -2.65 0.00 0.00 178.83 175.35 2hc5 h PRO 11 N 0.18 0.00 0.00 -2.39 0.11 -1.98 0.66 132.00 128.58 2hc5 h PRO 11 Ca 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 2hc5 h PRO 11 Cb 0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.23 2hc5 h PRO 11 CO -0.15 0.00 -0.04 0.28 -0.21 0.00 0.00 178.00 177.88 2hc5 h VAL 12 N 0.00 1.64 0.00 3.15 2.07 -1.54 -3.07 116.25 118.50 2hc5 h VAL 12 Ca 0.21 -1.94 -0.05 0.00 0.82 0.00 0.00 66.70 65.74 2hc5 h VAL 12 Cb 1.02 2.95 -0.01 0.00 -1.52 0.00 0.00 31.29 33.74 2hc5 h VAL 12 CO -0.00 0.51 -0.25 -0.50 0.02 0.00 0.00 177.57 177.35 2hc5 h TRP 13 N -0.78 0.00 -0.33 1.57 4.06 -0.28 -2.11 115.95 118.09 2hc5 h TRP 13 Ca -0.01 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.94 2hc5 h TRP 13 Cb 0.85 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.00 2hc5 h TRP 13 CO 0.21 0.25 0.20 0.22 -3.56 0.00 0.00 178.44 175.76 2hc5 h ASP 14 N 0.00 0.40 -0.19 -3.49 3.58 0.23 0.18 116.42 117.13 2hc5 h ASP 14 Ca -0.00 -0.06 -0.12 0.00 0.42 0.00 0.00 57.03 57.27 2hc5 h ASP 14 Cb 0.45 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 2hc5 h ASP 14 CO 0.03 0.34 -0.28 0.03 -2.88 0.00 0.00 179.24 176.48 2hc5 h ARG 15 N 0.43 0.67 -0.36 0.28 3.08 -1.37 -0.67 114.38 116.44 2hc5 h ARG 15 Ca 0.12 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 2hc5 h ARG 15 Cb 0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 2hc5 h ARG 15 CO -0.02 0.88 0.18 -0.92 -1.07 0.00 0.00 179.97 179.01 2hc5 h TYR 16 N 0.58 0.51 -0.63 3.04 3.20 -1.02 0.44 116.97 123.09 2hc5 h TYR 16 Ca 0.07 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.84 2hc5 h TYR 16 Cb 0.78 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 2hc5 h TYR 16 CO 0.04 0.43 0.09 0.22 -1.64 0.00 0.00 178.16 177.30 2hc5 h ASP 17 N 0.44 1.01 -0.42 -2.11 3.58 -0.46 -1.31 116.42 117.16 2hc5 h ASP 17 Ca 0.12 -0.26 -0.14 0.00 0.42 0.00 0.00 57.03 57.17 2hc5 h ASP 17 Cb 0.11 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 2hc5 h ASP 17 CO -0.02 1.02 -0.28 0.74 -2.88 0.00 0.00 179.24 177.82 2hc5 h THR 18 N 0.97 1.27 -0.83 2.25 2.02 -0.91 -3.04 112.91 114.64 2hc5 h THR 18 Ca 0.19 -1.45 -0.01 0.00 0.77 0.00 0.00 66.41 65.91 2hc5 h THR 18 Cb 0.45 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 2hc5 h THR 18 CO 0.01 0.49 0.48 -0.61 0.37 0.00 0.00 175.52 176.26 2hc5 h GLN 19 N 0.75 1.14 -0.13 6.66 -0.00 0.09 -1.70 115.11 121.93 2hc5 h GLN 19 Ca 0.08 -0.12 0.04 0.00 -0.00 0.00 0.00 58.65 58.65 2hc5 h GLN 19 Cb 0.86 -0.23 -0.01 0.00 0.00 0.00 0.00 27.48 28.11 2hc5 h GLN 19 CO 0.08 0.82 0.43 0.82 0.00 0.00 0.00 178.83 180.98 2hc5 h ILE 20 N 1.15 0.09 0.00 2.39 1.08 -1.11 0.34 117.51 121.45 2hc5 h ILE 20 Ca 0.30 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.73 2hc5 h ILE 20 Cb -0.01 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 2hc5 h ILE 20 CO -0.05 0.00 -0.17 0.45 -0.69 0.00 0.00 178.15 177.69 2hc5 h HIS 21 N 0.00 0.00 -2.15 1.37 3.86 -1.39 -3.36 115.15 113.48 2hc5 h HIS 21 Ca 0.06 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.78 2hc5 h HIS 21 Cb 0.93 0.00 -0.34 0.00 1.06 0.00 0.00 27.41 29.06 2hc5 h HIS 21 CO 0.00 0.17 -0.83 1.21 0.86 0.00 0.00 177.93 179.34 2hc5 s ASN 22 N -6.35 1.33 -0.43 2.45 3.84 0.12 -5.09 114.94 110.81 2hc5 s ASN 22 Ca -0.03 -2.40 -0.17 0.00 0.21 0.00 0.00 52.86 50.48 2hc5 s ASN 22 Cb 0.13 0.08 0.03 0.00 -0.55 0.00 0.00 41.25 40.94 2hc5 s ASN 22 CO 0.62 -0.20 0.41 0.00 -2.79 0.00 0.00 177.10 175.14 2hc5 s GLN 23 N 0.67 3.06 0.21 0.43 -2.07 -1.25 -4.95 119.66 115.76 2hc5 s GLN 23 Ca 0.26 -0.88 -0.03 0.00 -1.82 0.00 0.00 55.36 52.89 2hc5 s GLN 23 Cb -0.06 -3.99 -0.05 0.00 -1.09 0.00 0.00 33.01 27.81 2hc5 s GLN 23 CO -0.10 -0.87 0.44 0.21 -1.32 0.00 0.00 175.29 173.65 2hc5 s LYS 24 N 2.02 3.59 -0.00 9.60 2.20 -1.26 -4.97 119.74 130.92 2hc5 s LYS 24 Ca 0.10 -0.16 0.02 0.00 -0.36 0.00 0.00 55.97 55.57 2hc5 s LYS 24 Cb -0.18 -2.78 0.06 0.00 -1.51 0.00 0.00 37.83 33.42 2hc5 s LYS 24 CO 0.12 0.36 0.97 -0.25 -0.36 0.00 0.00 175.35 176.19 2hc5 n ASP 25 N -0.54 0.54 -3.92 1.43 9.92 -1.26 -4.78 116.55 117.93 2hc5 n ASP 25 Ca -0.03 -2.01 -0.09 0.00 -0.53 0.00 0.00 54.79 52.13 2hc5 n ASP 25 Cb 0.53 -0.13 -0.04 0.00 -0.64 0.00 0.00 41.12 40.84 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 -0.84 -0.16 0.93 -2.24 2.47 -1.26 -5.17 114.94 108.67 2hc5 s ASN 26 Ca 0.05 -0.78 -0.12 0.00 0.42 0.00 0.00 52.86 52.43 2hc5 s ASN 26 Cb 0.03 0.62 0.15 0.00 -1.45 0.00 0.00 41.25 40.59 2hc5 s ASN 26 CO 0.03 -1.17 1.10 1.51 -3.72 0.00 0.00 177.10 174.84 2hc5 s ASP 27 N -2.97 3.27 -0.26 -4.21 -4.77 -1.26 -5.01 116.67 101.46 2hc5 s ASP 27 Ca 0.17 1.29 -0.10 0.00 -3.30 0.00 0.00 52.55 50.62 2hc5 s ASP 27 Cb -0.02 -1.96 -0.12 0.00 -1.09 0.00 0.00 42.92 39.73 2hc5 s ASP 27 CO 0.06 -2.74 -0.31 0.59 0.70 0.00 0.00 175.17 173.48 2hc5 n ASN 28 N -3.93 1.90 -0.69 2.11 3.02 -1.26 -4.89 115.26 111.52 2hc5 n ASN 28 Ca 0.06 0.21 -0.03 0.00 -0.03 0.00 0.00 54.58 54.79 2hc5 n ASN 28 Cb 0.57 -0.68 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 2hc5 n ASN 28 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2hc5 n GLU 29 N -3.95 0.00 -4.95 3.52 0.28 -1.26 -5.14 120.64 109.15 2hc5 n GLU 29 Ca -0.50 -0.45 -0.31 0.00 -0.16 0.00 0.00 57.16 55.74 2hc5 n GLU 29 Cb 0.89 0.26 -0.14 0.00 1.43 0.00 0.00 31.44 33.87 2hc5 n GLU 29 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2hc5 s VAL 30 N 0.00 2.57 -0.00 3.84 -7.23 -1.26 -5.01 120.40 113.31 2hc5 s VAL 30 Ca 0.00 -1.05 -0.00 0.00 -1.81 0.00 0.00 61.98 59.12 2hc5 s VAL 30 Cb 0.00 -2.00 0.00 0.00 0.56 0.00 0.00 36.38 34.94 2hc5 s VAL 30 CO 0.00 0.49 1.89 -0.81 -0.31 0.00 0.00 175.10 176.36 2hc5 n PRO 31 N 2.06 1.01 -3.59 4.82 -0.04 -1.26 -4.63 135.00 133.38 2hc5 n PRO 31 Ca -0.16 -0.02 -0.02 0.00 -0.04 0.00 0.00 63.50 63.26 2hc5 n PRO 31 Cb 0.52 -1.01 -0.05 0.00 -0.04 0.00 0.00 33.50 32.92 2hc5 n PRO 31 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2hc5 s VAL 32 N -0.03 -0.52 -0.20 0.52 0.11 -1.26 -5.04 120.40 113.98 2hc5 s VAL 32 Ca 0.00 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.13 2hc5 s VAL 32 Cb 0.00 -1.00 0.24 0.00 -1.53 0.00 0.00 36.38 34.09 2hc5 s VAL 32 CO 0.00 0.00 1.14 0.00 -3.33 0.00 0.00 175.10 172.91 2hc5 n HIS 33 N 4.84 -1.21 -3.92 1.54 1.44 -1.26 -4.88 115.22 111.77 2hc5 n HIS 33 Ca -0.14 -1.06 -0.14 0.00 -2.01 0.00 0.00 57.72 54.37 2hc5 n HIS 33 Cb 0.53 1.12 -0.15 0.00 0.12 0.00 0.00 29.99 31.62 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 0.08 0.13 0.03 -1.40 2.00 -1.26 -4.86 119.66 114.38 2hc5 s GLN 34 Ca 0.05 0.00 -0.01 0.00 -2.00 0.00 0.00 55.36 53.40 2hc5 s GLN 34 Cb 0.26 -0.20 -0.03 0.00 0.80 0.00 0.00 33.01 33.85 2hc5 s GLN 34 CO -0.08 -0.02 -0.00 0.08 -0.50 0.00 0.00 175.29 174.77 2hc5 s VAL 35 N 0.30 0.16 0.18 1.34 1.01 -1.26 -5.00 120.40 117.13 2hc5 s VAL 35 Ca -0.03 -1.29 -0.22 0.00 0.00 0.00 0.00 61.98 60.44 2hc5 s VAL 35 Cb -0.05 -0.86 0.08 0.00 0.00 0.00 0.00 36.38 35.55 2hc5 s VAL 35 CO -0.01 -0.71 1.04 -0.94 0.00 0.00 0.00 175.10 174.48 2hc5 s SER 36 N -2.15 -0.00 0.44 3.32 1.04 -1.26 -4.93 113.70 110.16 2hc5 s SER 36 Ca -0.05 -0.65 0.10 0.00 0.48 0.00 0.00 55.95 55.82 2hc5 s SER 36 Cb -0.01 0.49 0.96 0.00 0.10 0.00 0.00 66.02 67.55 2hc5 s SER 36 CO -0.05 -0.97 2.07 0.22 0.98 0.00 0.00 173.24 175.48 2hc5 h TYR 37 N 2.00 0.35 -0.01 5.02 3.20 -2.00 -0.18 116.97 125.36 2hc5 h TYR 37 Ca -0.27 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.57 2hc5 h TYR 37 Cb 1.22 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.37 2hc5 h TYR 37 CO 1.31 0.25 -0.12 1.15 -1.64 0.00 0.00 178.16 179.11 2hc5 h THR 38 N 0.38 1.54 -0.73 1.81 2.02 -2.00 -3.21 112.91 112.72 2hc5 h THR 38 Ca 0.10 -1.76 0.01 0.00 0.77 0.00 0.00 66.41 65.53 2hc5 h THR 38 Cb 0.00 2.67 -0.04 0.00 -1.74 0.00 0.00 68.15 69.05 2hc5 h THR 38 CO -0.02 0.47 0.48 0.78 0.37 0.00 0.00 175.52 177.61 2hc5 h ASN 39 N -0.57 0.82 0.35 4.18 4.21 -1.80 -1.21 115.58 121.55 2hc5 h ASN 39 Ca -0.01 -0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.47 2hc5 h ASN 39 Cb 0.83 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.82 2hc5 h ASN 39 CO 0.02 0.59 -0.26 -0.07 -1.29 0.00 0.00 177.43 176.42 2hc5 h LEU 40 N 0.97 -0.68 -1.01 1.61 3.38 -1.14 -0.02 115.31 118.43 2hc5 h LEU 40 Ca 0.27 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.32 2hc5 h LEU 40 Cb -0.08 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 2hc5 h LEU 40 CO -0.06 -0.40 0.66 0.00 0.09 0.00 0.00 178.44 178.73 2hc5 h ALA 41 N -0.02 1.32 0.15 1.53 0.00 -1.43 0.24 119.26 121.04 2hc5 h ALA 41 Ca -0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2hc5 h ALA 41 Cb 0.53 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2hc5 h ALA 41 CO -0.00 0.59 -0.11 0.93 0.00 0.00 0.00 179.25 180.67 2hc5 h GLU 42 N 1.30 -0.25 -0.06 0.00 4.39 -0.98 -2.96 114.58 116.03 2hc5 h GLU 42 Ca 0.39 0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.93 2hc5 h GLU 42 Cb -0.05 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2hc5 h GLU 42 CO -0.11 -0.16 -0.66 0.52 -1.16 0.00 0.00 179.01 177.43 2hc5 h MET 43 N -0.26 0.56 -0.83 2.33 2.86 -0.49 -3.22 114.93 115.88 2hc5 h MET 43 Ca -0.01 -0.52 0.11 0.00 -2.06 0.00 0.00 59.70 57.23 2hc5 h MET 43 Cb 0.23 0.13 -0.06 0.00 0.06 0.00 0.00 31.60 31.95 2hc5 h MET 43 CO -0.00 1.14 0.54 0.28 1.06 0.00 0.00 176.91 179.93 2hc5 h VAL 44 N 0.16 0.92 -0.08 -2.22 2.07 -0.60 0.14 116.25 116.64 2hc5 h VAL 44 Ca -0.06 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2hc5 h VAL 44 Cb 1.32 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2hc5 h VAL 44 CO 0.13 0.13 0.04 1.23 0.02 0.00 0.00 177.57 179.12 2hc5 h GLY 45 N 0.73 0.12 2.00 2.17 0.00 -1.53 -2.47 103.07 104.09 2hc5 h GLY 45 Ca 0.39 -0.06 -0.15 0.00 0.00 0.00 0.00 47.33 47.52 2hc5 h GLY 45 CO -0.16 0.06 -0.70 1.05 0.00 0.00 0.00 176.54 176.79 2hc5 h GLU 46 N -0.01 0.00 -0.47 4.80 4.11 -1.42 -3.04 114.58 118.56 2hc5 h GLU 46 Ca 0.03 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.50 2hc5 h GLU 46 Cb 0.13 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 2hc5 h GLU 46 CO -0.00 0.70 0.23 0.52 0.07 0.00 0.00 179.01 180.52 2hc5 h MET 47 N 0.00 0.44 -0.35 1.06 2.86 -0.64 -2.08 114.93 116.22 2hc5 h MET 47 Ca -0.01 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.65 2hc5 h MET 47 Cb 1.26 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.78 2hc5 h MET 47 CO 0.09 0.29 0.12 -0.91 1.06 0.00 0.00 176.91 177.56 2hc5 h ASN 48 N 0.45 0.12 -0.13 1.22 2.35 -1.34 -2.20 115.58 116.06 2hc5 h ASN 48 Ca 0.21 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 2hc5 h ASN 48 Cb 0.13 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2hc5 h ASN 48 CO -0.16 0.10 0.00 0.29 -1.65 0.00 0.00 177.43 176.02 2hc5 n LYS 49 N -5.03 1.83 -0.02 0.81 5.02 -0.90 -1.00 118.16 118.87 2hc5 n LYS 49 Ca 0.01 -0.69 0.02 0.00 -2.02 0.00 0.00 58.31 55.63 2hc5 n LYS 49 Cb 0.13 -1.63 -0.10 0.00 -0.02 0.00 0.00 35.03 33.41 2hc5 n LYS 49 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2hc5 n LEU 50 N 0.13 0.00 -0.00 -0.35 4.77 -0.83 -4.62 117.00 116.09 2hc5 n LEU 50 Ca 0.06 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.13 2hc5 n LEU 50 Cb 0.44 0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 41.51 2hc5 n LEU 50 CO 0.07 0.10 -0.23 0.18 -1.33 0.00 0.00 177.39 176.17 2hc5 n LEU 51 N -2.10 0.60 -0.10 2.23 4.77 -0.56 -4.37 117.00 117.48 2hc5 n LEU 51 Ca -0.08 -0.36 -0.09 0.00 -0.03 0.00 0.00 56.01 55.45 2hc5 n LEU 51 Cb 0.51 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 2hc5 n LEU 51 CO 0.26 0.15 1.00 -0.33 -1.33 0.00 0.00 177.39 177.14 2hc5 h GLU 52 N 0.00 0.44 0.00 3.23 5.08 -1.32 -2.02 114.58 119.99 2hc5 h GLU 52 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2hc5 h GLU 52 Cb 0.54 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2hc5 h GLU 52 CO 0.00 0.31 0.00 -0.35 -1.00 0.00 0.00 179.01 177.97 2hc5 n PRO 53 N -4.84 0.08 -1.99 2.33 -0.04 -1.26 -4.75 135.00 124.52 2hc5 n PRO 53 Ca -0.01 0.40 -0.11 0.00 -0.04 0.00 0.00 63.50 63.74 2hc5 n PRO 53 Cb 0.03 -1.69 0.05 0.00 -0.04 0.00 0.00 33.50 31.85 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 -1.85 1.06 0.09 3.54 3.41 -0.76 -3.76 113.62 115.35 2hc5 n SER 54 Ca 0.02 -1.80 -0.19 0.00 -0.26 0.00 0.00 58.87 56.64 2hc5 n SER 54 Cb 0.14 -0.27 -0.15 0.00 -0.26 0.00 0.00 64.21 63.68 2hc5 n SER 54 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2hc5 h GLN 55 N 0.00 0.34 -5.92 4.33 1.08 -1.52 -3.43 115.11 109.98 2hc5 h GLN 55 Ca -0.16 -0.58 -0.60 0.00 -1.45 0.00 0.00 58.65 55.87 2hc5 h GLN 55 Cb 0.69 0.21 -0.11 0.00 -0.05 0.00 0.00 27.48 28.22 2hc5 h GLN 55 CO 0.21 1.24 1.08 0.14 -0.95 0.00 0.00 178.83 180.55 2hc5 s VAL 56 N -2.62 4.04 -1.22 -0.54 -7.23 -1.18 -4.92 120.40 106.73 2hc5 s VAL 56 Ca -0.09 -0.40 -0.13 0.00 -1.81 0.00 0.00 61.98 59.55 2hc5 s VAL 56 Cb 0.06 -4.90 0.17 0.00 0.56 0.00 0.00 36.38 32.27 2hc5 s VAL 56 CO 0.88 -1.77 1.47 1.41 -0.31 0.00 0.00 175.10 176.78 2hc5 n HIS 57 N 8.52 4.84 -3.02 2.82 8.25 -1.26 -4.73 115.22 130.63 2hc5 n HIS 57 Ca 0.15 -3.32 -0.40 0.00 -0.26 0.00 0.00 57.72 53.89 2hc5 n HIS 57 Cb 0.49 -2.18 -0.05 0.00 1.12 0.00 0.00 29.99 29.38 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 1.47 4.33 -0.19 2.41 1.02 -1.26 -3.95 118.68 122.49 2hc5 s LEU 58 Ca 0.43 1.23 -0.17 0.00 0.02 0.00 0.00 54.13 55.64 2hc5 s LEU 58 Cb -0.02 -3.12 -0.04 0.00 0.02 0.00 0.00 46.19 43.04 2hc5 s LEU 58 CO 0.00 -0.12 0.44 -0.54 0.02 0.00 0.00 176.35 176.16 2hc5 s LYS 59 N 0.78 4.19 -0.27 1.70 1.02 0.25 -4.85 119.74 122.56 2hc5 s LYS 59 Ca 0.38 0.29 -0.13 0.00 0.02 0.00 0.00 55.97 56.53 2hc5 s LYS 59 Cb -0.18 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.55 2hc5 s LYS 59 CO 0.19 -0.06 0.28 -0.06 -0.92 0.00 0.00 175.35 174.78 2hc5 s PHE 60 N 1.37 3.24 -0.07 3.18 0.08 -1.26 -0.06 117.98 124.45 2hc5 s PHE 60 Ca 0.21 0.27 0.05 0.00 0.12 0.00 0.00 56.93 57.58 2hc5 s PHE 60 Cb -0.15 -2.48 -0.01 0.00 -0.57 0.00 0.00 43.02 39.81 2hc5 s PHE 60 CO 0.09 -0.19 -0.22 -1.21 -0.10 0.00 0.00 175.22 173.59 2hc5 s GLU 61 N 1.90 2.69 -0.44 0.44 0.41 0.49 -4.90 118.70 119.29 2hc5 s GLU 61 Ca 0.11 -0.85 -0.19 0.00 -0.41 0.00 0.00 54.97 53.64 2hc5 s GLU 61 Cb -0.16 -2.26 0.03 0.00 -1.78 0.00 0.00 34.13 29.96 2hc5 s GLU 61 CO 0.10 0.38 0.54 -1.17 -0.49 0.00 0.00 175.26 174.62 2hc5 s LEU 62 N -0.14 4.75 -0.03 1.80 2.96 -1.26 0.26 118.68 127.02 2hc5 s LEU 62 Ca -0.03 -0.59 0.05 0.00 -0.22 0.00 0.00 54.13 53.33 2hc5 s LEU 62 Cb -0.14 -2.52 -0.01 0.00 0.50 0.00 0.00 46.19 44.02 2hc5 s LEU 62 CO 0.04 -0.70 -0.17 -1.00 -1.32 0.00 0.00 176.35 173.20 2hc5 s HIS 63 N 2.45 1.56 0.29 5.38 3.76 -0.82 -4.99 115.29 122.92 2hc5 s HIS 63 Ca 0.16 -0.36 0.11 0.00 -0.15 0.00 0.00 55.06 54.82 2hc5 s HIS 63 Cb -0.16 -1.03 -0.05 0.00 1.11 0.00 0.00 32.58 32.45 2hc5 s HIS 63 CO 0.15 -0.08 -0.10 0.16 -0.85 0.00 0.00 174.74 174.02 2hc5 s ASP 64 N -0.19 4.02 -0.19 1.40 -4.77 -1.26 -1.71 116.67 113.97 2hc5 s ASP 64 Ca 0.02 -0.90 -0.06 0.00 -3.30 0.00 0.00 52.55 48.31 2hc5 s ASP 64 Cb -0.09 -0.53 0.09 0.00 -1.09 0.00 0.00 42.92 41.30 2hc5 s ASP 64 CO 0.00 -0.02 0.38 -1.59 0.70 0.00 0.00 175.17 174.65 2hc5 s LYS 65 N -3.60 0.29 0.00 2.11 -2.85 0.13 -4.97 119.74 110.85 2hc5 s LYS 65 Ca 0.31 0.96 0.00 0.00 -1.00 0.00 0.00 55.97 56.24 2hc5 s LYS 65 Cb -0.04 0.23 0.00 0.00 -2.06 0.00 0.00 37.83 35.95 2hc5 s LYS 65 CO 0.17 -0.27 0.00 -0.11 0.10 0.00 0.00 175.35 175.24 2hc5 n LEU 66 N 5.38 0.00 0.00 2.77 7.94 -1.26 -0.79 117.00 131.04 2hc5 n LEU 66 Ca -0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 2hc5 n LEU 66 Cb 0.49 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.44 2hc5 n LEU 66 CO 0.01 0.00 -0.29 0.59 -1.11 0.00 0.00 177.39 176.59 2hc5 n ASN 67 N 2.20 2.89 -4.89 1.96 4.13 -1.26 -5.09 115.26 115.21 2hc5 n ASN 67 Ca 0.00 -0.02 -0.29 0.00 1.68 0.00 0.00 54.58 55.95 2hc5 n ASN 67 Cb 0.00 0.62 -0.04 0.00 -1.54 0.00 0.00 39.78 38.82 2hc5 n ASN 67 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2hc5 s GLU 68 N -1.20 3.27 -0.06 3.52 0.41 0.03 -5.10 118.70 119.57 2hc5 s GLU 68 Ca 0.00 -0.59 -0.02 0.00 -0.41 0.00 0.00 54.97 53.95 2hc5 s GLU 68 Cb 0.00 -2.91 0.04 0.00 -1.78 0.00 0.00 34.13 29.48 2hc5 s GLU 68 CO 0.00 0.56 0.11 1.52 -0.49 0.00 0.00 175.26 176.95 2hc5 s TYR 69 N -1.59 -0.07 0.16 1.61 1.13 -1.26 0.22 117.35 117.55 2hc5 s TYR 69 Ca 0.33 0.40 -0.00 0.00 -1.41 0.00 0.00 57.07 56.39 2hc5 s TYR 69 Cb -0.12 -0.29 -0.04 0.00 -1.10 0.00 0.00 41.96 40.41 2hc5 s TYR 69 CO 0.26 -0.20 0.06 1.52 -2.51 0.00 0.00 175.55 174.69 2hc5 s TYR 70 N 1.85 1.06 -0.23 -3.49 -0.85 -0.69 -4.17 117.35 110.82 2hc5 s TYR 70 Ca -0.01 -1.20 -0.10 0.00 -0.52 0.00 0.00 57.07 55.24 2hc5 s TYR 70 Cb -0.12 -0.58 -0.05 0.00 0.38 0.00 0.00 41.96 41.59 2hc5 s TYR 70 CO -0.04 -0.45 0.14 0.08 -1.52 0.00 0.00 175.55 173.75 2hc5 s VAL 71 N -3.95 5.19 -0.08 -3.49 1.01 -0.71 -1.95 120.40 116.43 2hc5 s VAL 71 Ca 0.28 0.12 -0.15 0.00 0.00 0.00 0.00 61.98 62.23 2hc5 s VAL 71 Cb 0.07 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 2hc5 s VAL 71 CO 0.05 0.36 0.36 -0.54 0.00 0.00 0.00 175.10 175.34 2hc5 s LYS 72 N 0.99 4.07 -0.34 2.72 1.02 0.14 -0.76 119.74 127.59 2hc5 s LYS 72 Ca 0.07 0.28 -0.10 0.00 0.02 0.00 0.00 55.97 56.23 2hc5 s LYS 72 Cb -0.13 -3.33 0.01 0.00 -0.52 0.00 0.00 37.83 33.85 2hc5 s LYS 72 CO 0.04 0.45 0.18 0.08 -0.92 0.00 0.00 175.35 175.17 2hc5 s VAL 73 N -0.23 4.64 -0.28 3.17 1.01 0.15 -0.38 120.40 128.48 2hc5 s VAL 73 Ca 0.21 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 2hc5 s VAL 73 Cb -0.15 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 2hc5 s VAL 73 CO 0.09 -0.06 0.11 -0.63 0.00 0.00 0.00 175.10 174.61 2hc5 s ILE 74 N 1.60 4.48 -0.36 2.22 1.01 0.91 -1.26 121.20 129.80 2hc5 s ILE 74 Ca 0.04 -0.27 -0.29 0.00 0.00 0.00 0.00 60.65 60.12 2hc5 s ILE 74 Cb -0.18 -3.19 0.02 0.00 0.01 0.00 0.00 42.46 39.12 2hc5 s ILE 74 CO 0.07 0.21 1.13 -0.70 0.00 0.00 0.00 174.94 175.64 2hc5 s GLU 75 N 1.62 3.95 0.35 2.79 -6.30 -0.43 -0.58 118.70 120.09 2hc5 s GLU 75 Ca 0.05 0.96 0.13 0.00 -2.50 0.00 0.00 54.97 53.61 2hc5 s GLU 75 Cb -0.16 -3.81 0.66 0.00 0.00 0.00 0.00 34.13 30.82 2hc5 s GLU 75 CO 0.05 -1.07 1.78 0.22 0.02 0.00 0.00 175.26 176.26 2hc5 h ASP 76 N 8.59 0.00 0.39 -1.70 3.58 -1.87 0.45 116.42 125.86 2hc5 h ASP 76 Ca -0.22 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.07 2hc5 h ASP 76 Cb 1.07 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.10 2hc5 h ASP 76 CO 1.06 0.42 -0.66 0.28 -2.88 0.00 0.00 179.24 177.47 2hc5 h SER 77 N 0.00 0.29 0.44 2.28 0.02 -1.91 -3.13 113.55 111.55 2hc5 h SER 77 Ca -0.00 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2hc5 h SER 77 Cb 0.77 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.22 2hc5 h SER 77 CO 0.05 0.86 -1.52 0.35 -1.14 0.00 0.00 176.83 175.44 2hc5 n THR 78 N -3.84 0.27 -2.20 -2.27 -2.24 -1.05 -4.98 114.28 97.97 2hc5 n THR 78 Ca -0.03 -0.50 -0.15 0.00 -2.27 0.00 0.00 64.05 61.10 2hc5 n THR 78 Cb 0.65 -0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 68.75 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 -2.41 -4.59 -4.26 3.42 3.02 0.16 -5.00 115.26 105.58 2hc5 n ASN 79 Ca -0.02 0.02 -0.17 0.00 -0.03 0.00 0.00 54.58 54.39 2hc5 n ASN 79 Cb 0.55 -3.70 -0.10 0.00 -0.61 0.00 0.00 39.78 35.92 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 -4.60 1.10 -0.64 3.52 -1.05 -1.18 -4.96 118.70 110.88 2hc5 s GLU 80 Ca 0.00 -1.38 -0.25 0.00 -0.15 0.00 0.00 54.97 53.19 2hc5 s GLU 80 Cb 0.00 -0.85 0.05 0.00 -0.44 0.00 0.00 34.13 32.89 2hc5 s GLU 80 CO 0.00 0.14 1.07 0.08 0.95 0.00 0.00 175.26 177.50 2hc5 s VAL 81 N -2.72 4.15 -0.25 1.83 1.01 -1.26 -1.32 120.40 121.84 2hc5 s VAL 81 Ca 0.14 0.20 0.20 0.00 0.00 0.00 0.00 61.98 62.52 2hc5 s VAL 81 Cb -0.01 -4.71 0.07 0.00 0.00 0.00 0.00 36.38 31.73 2hc5 s VAL 81 CO 0.03 -1.44 1.24 0.16 0.00 0.00 0.00 175.10 175.09 2hc5 h ILE 82 N 6.03 0.31 -3.84 2.22 3.07 -1.55 -3.47 117.51 120.28 2hc5 h ILE 82 Ca -0.27 -1.50 -0.12 0.00 1.55 0.00 0.00 64.86 64.52 2hc5 h ILE 82 Cb 1.06 1.96 -0.17 0.00 -0.27 0.00 0.00 36.82 39.41 2hc5 h ILE 82 CO 1.18 0.18 -0.52 -0.13 -1.05 0.00 0.00 178.15 177.81 2hc5 s ARG 83 N -3.14 0.62 -0.15 0.16 1.81 -1.09 -5.02 118.95 112.15 2hc5 s ARG 83 Ca 0.02 -0.82 -0.05 0.00 -1.72 0.00 0.00 55.73 53.17 2hc5 s ARG 83 Cb 0.08 0.24 0.07 0.00 -0.45 0.00 0.00 34.95 34.89 2hc5 s ARG 83 CO 0.75 -0.16 0.27 -1.21 -0.68 0.00 0.00 175.30 174.28 2hc5 s GLU 84 N -2.87 0.17 -0.19 3.54 2.02 -1.26 0.30 118.70 120.41 2hc5 s GLU 84 Ca -0.03 0.70 -0.03 0.00 0.02 0.00 0.00 54.97 55.63 2hc5 s GLU 84 Cb 0.00 -0.16 -0.01 0.00 0.10 0.00 0.00 34.13 34.06 2hc5 s GLU 84 CO -0.06 -0.34 -0.05 0.42 0.02 0.00 0.00 175.26 175.25 2hc5 s ILE 85 N 2.43 3.45 0.55 -1.63 1.09 0.06 -4.97 121.20 122.18 2hc5 s ILE 85 Ca 0.02 -0.48 -0.18 0.00 -1.10 0.00 0.00 60.65 58.91 2hc5 s ILE 85 Cb -0.13 -2.54 -0.05 0.00 -1.06 0.00 0.00 42.46 38.68 2hc5 s ILE 85 CO -0.09 0.45 1.07 -2.16 -0.10 0.00 0.00 174.94 174.11 2hc5 s PRO 86 N 1.09 3.45 0.54 2.79 0.04 -1.26 -1.74 135.00 139.91 2hc5 s PRO 86 Ca 0.01 1.37 0.27 0.00 0.04 0.00 0.00 61.00 62.69 2hc5 s PRO 86 Cb -0.15 -2.04 1.53 0.00 0.04 0.00 0.00 34.50 33.88 2hc5 s PRO 86 CO -0.00 -0.73 2.12 -1.00 0.04 0.00 0.00 177.00 177.43 2hc5 h PRO 87 N 0.97 0.00 -0.01 0.56 0.13 -1.97 -0.64 132.00 131.04 2hc5 h PRO 87 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2hc5 h PRO 87 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2hc5 h PRO 87 CO 0.58 0.09 -0.01 0.36 -0.23 0.00 0.00 178.00 178.78 2hc5 n LYS 88 N -3.77 1.16 -0.45 0.86 0.00 -1.26 -3.32 118.16 111.37 2hc5 n LYS 88 Ca -0.02 -0.33 0.01 0.00 -0.00 0.00 0.00 58.31 57.97 2hc5 n LYS 88 Cb 0.19 -1.49 0.01 0.00 -0.00 0.00 0.00 35.03 33.73 2hc5 n LYS 88 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2hc5 n ARG 89 N -0.64 0.09 0.16 -1.58 0.63 -0.38 -4.82 116.66 110.12 2hc5 n ARG 89 Ca 0.21 -1.08 0.02 0.00 -0.92 0.00 0.00 57.85 56.07 2hc5 n ARG 89 Cb 0.21 -0.57 0.25 0.00 0.45 0.00 0.00 32.46 32.80 2hc5 n ARG 89 CO 0.00 0.00 0.00 2.35 -2.51 0.00 0.00 177.63 177.47 2hc5 h TRP 90 N 0.00 0.00 -0.81 -0.14 2.91 -1.19 -3.21 115.95 113.51 2hc5 h TRP 90 Ca 0.00 0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.06 2hc5 h TRP 90 Cb 1.36 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 29.96 2hc5 h TRP 90 CO 0.09 0.51 0.51 -0.07 -1.03 0.00 0.00 178.44 178.45 2hc5 h LEU 91 N 0.00 0.84 -0.33 0.65 3.38 -1.87 -0.98 115.31 116.99 2hc5 h LEU 91 Ca -0.01 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2hc5 h LEU 91 Cb 0.99 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 2hc5 h LEU 91 CO 0.07 0.57 -0.02 0.44 0.09 0.00 0.00 178.44 179.58 2hc5 h ASP 92 N 0.99 -0.18 -0.09 -0.43 5.19 -1.94 0.12 116.42 120.08 2hc5 h ASP 92 Ca 0.33 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.81 2hc5 h ASP 92 Cb 0.05 0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.71 2hc5 h ASP 92 CO -0.13 -0.05 0.01 0.15 -3.12 0.00 0.00 179.24 176.10 2hc5 h PHE 93 N 0.07 0.16 -0.35 4.55 3.57 -1.55 -2.33 116.94 121.06 2hc5 h PHE 93 Ca 0.16 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 2hc5 h PHE 93 Cb 0.23 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2hc5 h PHE 93 CO -0.26 0.37 0.15 -0.92 -2.23 0.00 0.00 178.31 175.42 2hc5 h TYR 94 N -0.10 0.52 -0.20 0.41 3.20 -0.90 -1.98 116.97 117.93 2hc5 h TYR 94 Ca 0.03 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 2hc5 h TYR 94 Cb 0.30 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 2hc5 h TYR 94 CO 0.02 0.47 -0.18 0.00 -1.64 0.00 0.00 178.16 176.83 2hc5 h ALA 95 N 0.99 1.33 -0.24 1.82 0.00 -0.79 -2.50 119.26 119.86 2hc5 h ALA 95 Ca 0.12 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2hc5 h ALA 95 Cb 0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2hc5 h ALA 95 CO -0.01 0.45 -0.28 0.00 0.00 0.00 0.00 179.25 179.41 2hc5 h ALA 96 N 1.50 0.36 0.01 0.00 0.00 -1.11 -3.03 119.26 116.99 2hc5 h ALA 96 Ca 0.06 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2hc5 h ALA 96 Cb 0.51 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2hc5 h ALA 96 CO 0.03 0.37 -0.00 0.52 0.00 0.00 0.00 179.25 180.17 2hc5 h MET 97 N 0.33 -0.01 -0.04 0.00 2.07 -1.16 -2.07 114.93 114.06 2hc5 h MET 97 Ca 0.03 0.00 -0.05 0.00 -2.07 0.00 0.00 59.70 57.61 2hc5 h MET 97 Cb 0.85 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.57 2hc5 h MET 97 CO 0.07 0.35 -0.23 0.00 1.07 0.00 0.00 176.91 178.16 2hc5 h THR 98 N -0.37 1.19 -0.11 2.22 1.03 -1.56 0.51 112.91 115.82 2hc5 h THR 98 Ca -0.00 -0.87 -0.21 0.00 -0.01 0.00 0.00 66.41 65.31 2hc5 h THR 98 Cb 0.36 1.42 0.01 0.00 -1.07 0.00 0.00 68.15 68.87 2hc5 h THR 98 CO 0.00 0.26 -0.79 -0.08 -0.01 0.00 0.00 175.52 174.90 2hc5 h GLU 99 N 0.06 0.65 0.00 0.00 4.57 -1.51 -2.72 114.58 115.62 2hc5 h GLU 99 Ca 0.01 -0.54 -0.01 0.00 -1.18 0.00 0.00 59.36 57.63 2hc5 h GLU 99 Cb 0.45 0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.15 2hc5 h GLU 99 CO 0.03 1.16 -0.15 0.35 -1.18 0.00 0.00 179.01 179.22 2hc5 h PHE 100 N 0.43 0.00 -0.03 0.92 3.57 -0.62 -3.33 116.94 117.88 2hc5 h PHE 100 Ca -0.05 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.35 2hc5 h PHE 100 Cb 1.40 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.12 2hc5 h PHE 100 CO 0.07 0.28 -0.46 -0.07 -2.23 0.00 0.00 178.31 175.91 2hc5 h LEU 101 N -1.00 0.08 -0.95 0.59 4.07 -0.17 -2.10 115.31 115.82 2hc5 h LEU 101 Ca -0.02 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.91 2hc5 h LEU 101 Cb 0.35 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.07 2hc5 h LEU 101 CO -0.01 0.53 0.00 0.61 -1.08 0.00 0.00 178.44 178.49 2hc5 n GLY 102 N -0.17 -1.16 0.23 0.83 0.00 -1.02 -1.19 105.19 102.71 2hc5 n GLY 102 Ca -0.02 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.33 0.99 3.38 -1.48 -2.96 115.31 114.90 2hc5 h LEU 103 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hc5 h LEU 103 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2hc5 h LEU 103 CO 0.00 0.16 -0.48 0.49 0.09 0.00 0.00 178.44 178.70 2hc5 n PHE 104 N -3.30 0.00 -3.90 1.13 3.72 -0.34 -4.75 117.46 110.03 2hc5 n PHE 104 Ca 0.00 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.10 2hc5 n PHE 104 Cb 0.41 -0.13 -0.15 0.00 -0.94 0.00 0.00 39.48 38.67 2hc5 n PHE 104 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2hc5 s VAL 105 N -2.74 1.52 -1.10 -4.37 -7.23 -1.12 -4.72 120.40 100.65 2hc5 s VAL 105 Ca 0.17 -1.55 -0.13 0.00 -1.81 0.00 0.00 61.98 58.66 2hc5 s VAL 105 Cb 0.18 -1.98 0.20 0.00 0.56 0.00 0.00 36.38 35.35 2hc5 s VAL 105 CO 0.64 -0.40 1.22 -0.62 -0.31 0.00 0.00 175.10 175.63 2hc5 s ASP 106 N 1.34 7.05 0.00 4.85 2.15 -1.26 -4.74 116.67 126.05 2hc5 s ASP 106 Ca 0.03 -3.00 0.00 0.00 0.43 0.00 0.00 52.55 50.01 2hc5 s ASP 106 Cb -0.18 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 2hc5 s ASP 106 CO -0.12 -0.64 0.00 1.21 -0.17 0.00 0.00 175.17 175.45 2hc5 n GLU 107 N 4.72 0.00 0.30 4.34 4.07 -1.26 -2.00 120.64 130.81 2hc5 n GLU 107 Ca 0.28 0.00 0.19 0.00 -0.06 0.00 0.00 57.16 57.58 2hc5 n GLU 107 Cb 0.43 0.00 0.94 0.00 -0.06 0.00 0.00 31.44 32.75 2hc5 n GLU 107 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 2hc5 h LYS 108 N 0.00 0.00 -0.67 5.31 1.79 -1.99 -0.78 116.57 120.23 2hc5 h LYS 108 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2hc5 h LYS 108 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2hc5 h LYS 108 CO 0.00 0.02 0.00 1.63 -1.08 0.00 0.00 179.45 180.02 2hc5 n LYS 109 N -3.17 3.01 0.16 3.15 4.01 -0.85 -4.34 118.16 120.14 2hc5 n LYS 109 Ca -0.01 -2.57 0.02 0.00 -0.51 0.00 0.00 58.31 55.24 2hc5 n LYS 109 Cb 0.19 -1.67 0.23 0.00 -0.51 0.00 0.00 35.03 33.26 2hc5 n LYS 109 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 2hc5 h LEU 110 N 3.96 0.00 0.00 -0.35 3.38 -1.37 -3.43 115.31 117.50 2hc5 h LEU 110 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hc5 h LEU 110 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2hc5 h LEU 110 CO 0.09 0.51 0.00 -0.62 0.09 0.00 0.00 178.44 178.52 2hc5 n GLU 111 N -3.61 0.00 -2.15 1.13 -0.58 -1.26 -4.89 120.64 109.28 2hc5 n GLU 111 Ca -0.00 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.34 2hc5 n GLU 111 Cb 0.59 -0.87 -0.03 0.00 -0.57 0.00 0.00 31.44 30.56 2hc5 n GLU 111 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2hc5 s HIS 112 N -0.01 1.83 -0.16 -0.32 3.76 -1.26 -4.91 115.29 114.22 2hc5 s HIS 112 Ca 0.00 0.62 -0.37 0.00 -0.15 0.00 0.00 55.06 55.15 2hc5 s HIS 112 Cb 0.00 -4.21 -0.14 0.00 1.11 0.00 0.00 32.58 29.34 2hc5 s HIS 112 CO 0.00 -2.28 1.74 -2.39 -0.85 0.00 0.00 174.74 170.96 2hc5 n HIS 113 N 11.70 2.11 -4.57 1.40 1.44 -1.26 -4.96 115.22 121.08 2hc5 n HIS 113 Ca 0.17 0.35 -0.23 0.00 -2.01 0.00 0.00 57.72 55.99 2hc5 n HIS 113 Cb 0.51 -2.52 -0.16 0.00 0.12 0.00 0.00 29.99 27.94 2hc5 n HIS 113 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2hc5 s HIS 114 N 3.28 1.33 -0.11 -1.40 -3.43 -1.26 -5.14 115.29 108.56 2hc5 s HIS 114 Ca 0.94 -0.41 -0.06 0.00 -0.80 0.00 0.00 55.06 54.73 2hc5 s HIS 114 Cb -0.91 -0.94 -0.04 0.00 -1.43 0.00 0.00 32.58 29.26 2hc5 s HIS 114 CO 0.58 -0.18 0.11 -1.58 -2.00 0.00 0.00 174.74 171.67 2hc5 s HIS 115 N 0.33 3.52 0.00 0.38 2.46 -1.26 -4.70 115.29 116.02 2hc5 s HIS 115 Ca -0.07 0.47 0.00 0.00 0.47 0.00 0.00 55.06 55.92 2hc5 s HIS 115 Cb -0.12 -1.91 0.00 0.00 -0.13 0.00 0.00 32.58 30.42 2hc5 s HIS 115 CO 0.02 0.69 0.00 1.58 -2.47 0.00 0.00 174.74 174.56 2hc5 n HIS 116 N 2.02 0.00 1.46 3.88 -0.00 -1.26 -5.32 115.22 116.01 2hc5 n HIS 116 Ca -0.20 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.66 2hc5 n HIS 116 Cb 0.55 0.00 0.49 0.00 -0.00 0.00 0.00 29.99 31.03 2hc5 n HIS 116 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92