#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hi5 s LYS 1 N 0.00 3.07 0.54 0.03 2.20 -1.26 -4.87 119.74 119.45 1hi5 s LYS 1 Ca 0.00 -0.83 -0.21 0.00 -0.36 0.00 0.00 55.97 54.57 1hi5 s LYS 1 Cb 0.00 -2.37 -0.05 0.00 -1.51 0.00 0.00 37.83 33.90 1hi5 s LYS 1 CO 0.00 0.22 1.26 -2.14 -0.36 0.00 0.00 175.35 174.33 1hi5 s PRO 2 N 0.27 3.26 0.52 4.03 0.02 -1.26 -4.92 135.00 136.92 1hi5 s PRO 2 Ca -0.15 1.98 0.18 0.00 0.02 0.00 0.00 61.00 63.03 1hi5 s PRO 2 Cb -0.17 -2.20 1.30 0.00 0.02 0.00 0.00 34.50 33.45 1hi5 s PRO 2 CO 0.08 -1.02 2.11 -1.00 -0.33 0.00 0.00 177.00 176.84 1hi5 h PRO 3 N 1.45 0.00 0.00 5.54 0.13 -1.99 -2.71 132.00 134.42 1hi5 h PRO 3 Ca -0.50 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1hi5 h PRO 3 Cb 1.29 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1hi5 h PRO 3 CO 0.57 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.35 1hi5 n GLN 4 N -4.50 0.41 -4.34 0.86 0.00 -1.26 -4.81 117.38 103.74 1hi5 n GLN 4 Ca 0.00 0.05 -0.31 0.00 0.00 0.00 0.00 57.00 56.75 1hi5 n GLN 4 Cb 0.21 -1.50 -0.10 0.00 0.00 0.00 0.00 30.24 28.85 1hi5 n GLN 4 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1hi5 s PHE 5 N -2.48 2.77 0.62 2.61 0.40 -1.02 -5.09 117.98 115.80 1hi5 s PHE 5 Ca 0.25 -0.13 -0.04 0.00 -0.60 0.00 0.00 56.93 56.41 1hi5 s PHE 5 Cb 0.16 -1.49 0.04 0.00 0.51 0.00 0.00 43.02 42.24 1hi5 s PHE 5 CO 0.35 0.39 0.90 0.95 0.70 0.00 0.00 175.22 178.52 1hi5 s THR 6 N -1.13 2.79 0.31 0.64 -4.23 -1.26 -4.86 115.64 107.90 1hi5 s THR 6 Ca 0.20 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.38 1hi5 s THR 6 Cb -0.11 -3.13 0.21 0.00 1.34 0.00 0.00 72.50 70.81 1hi5 s THR 6 CO 0.11 -0.12 1.92 -0.50 -0.54 0.00 0.00 174.62 175.49 1hi5 h TRP 7 N -0.26 0.85 -0.69 3.99 4.06 -1.93 -1.35 115.95 120.60 1hi5 h TRP 7 Ca -0.44 -0.02 -0.07 0.00 2.06 0.00 0.00 58.89 60.41 1hi5 h TRP 7 Cb 1.29 -0.27 -0.03 0.00 -1.00 0.00 0.00 29.16 29.16 1hi5 h TRP 7 CO 0.38 0.62 0.15 0.00 -3.56 0.00 0.00 178.44 176.02 1hi5 h ALA 8 N 1.47 0.95 -0.27 1.49 0.00 -1.87 0.12 119.26 121.16 1hi5 h ALA 8 Ca 0.21 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1hi5 h ALA 8 Cb 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1hi5 h ALA 8 CO -0.03 0.67 -0.32 1.96 0.00 0.00 0.00 179.25 181.53 1hi5 h GLN 9 N 1.06 0.56 -0.02 0.00 4.20 -1.74 -1.17 115.11 118.00 1hi5 h GLN 9 Ca 0.22 -0.25 -0.16 0.00 0.06 0.00 0.00 58.65 58.52 1hi5 h GLN 9 Cb 0.40 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1hi5 h GLN 9 CO 0.01 0.81 -0.70 2.35 -0.67 0.00 0.00 178.83 180.63 1hi5 h TRP 10 N 0.48 0.19 -0.45 2.96 -0.00 -1.00 -1.46 115.95 116.66 1hi5 h TRP 10 Ca 0.06 -0.08 -0.08 0.00 -0.00 0.00 0.00 58.89 58.78 1hi5 h TRP 10 Cb 0.79 -0.03 -0.02 0.00 -0.00 0.00 0.00 29.16 29.91 1hi5 h TRP 10 CO 0.03 0.79 -0.03 0.35 -0.00 0.00 0.00 178.44 179.58 1hi5 h PHE 11 N 0.09 0.91 -0.52 2.65 3.57 -0.62 -0.20 116.94 122.83 1hi5 h PHE 11 Ca -0.02 -0.17 -0.05 0.00 3.53 0.00 0.00 57.97 61.27 1hi5 h PHE 11 Cb 1.25 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 1hi5 h PHE 11 CO 0.02 0.89 0.14 1.49 -2.23 0.00 0.00 178.31 178.62 1hi5 h GLU 12 N 0.67 0.82 -0.43 1.11 4.81 -1.07 0.15 114.58 120.64 1hi5 h GLU 12 Ca 0.12 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 1hi5 h GLU 12 Cb 0.55 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1hi5 h GLU 12 CO 0.03 0.77 -0.03 1.15 -0.73 0.00 0.00 179.01 180.20 1hi5 h THR 13 N 0.72 1.24 0.12 0.32 2.02 -1.08 0.12 112.91 116.36 1hi5 h THR 13 Ca 0.17 -1.00 -0.33 0.00 0.77 0.00 0.00 66.41 66.02 1hi5 h THR 13 Cb 0.31 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1hi5 h THR 13 CO -0.00 0.35 -1.72 1.56 0.37 0.00 0.00 175.52 176.08 1hi5 h GLN 14 N 0.67 0.25 -0.00 6.66 4.20 -0.80 -3.40 115.11 122.68 1hi5 h GLN 14 Ca 0.13 -0.42 0.00 0.00 0.06 0.00 0.00 58.65 58.42 1hi5 h GLN 14 Cb 0.46 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1hi5 h GLN 14 CO 0.02 1.09 -0.02 0.72 -0.67 0.00 0.00 178.83 179.98 1hi5 n HIS 15 N -3.43 0.00 -0.00 2.96 8.25 0.49 -4.59 115.22 118.90 1hi5 n HIS 15 Ca -0.22 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.24 1hi5 n HIS 15 Cb 1.05 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 32.16 1hi5 n HIS 15 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1hi5 n ILE 16 N -0.46 0.01 -2.84 1.59 2.08 -0.76 0.20 119.36 119.19 1hi5 n ILE 16 Ca 0.00 -0.00 -0.44 0.00 0.56 0.00 0.00 62.75 62.87 1hi5 n ILE 16 Cb 0.02 -1.02 0.00 0.00 -0.75 0.00 0.00 39.64 37.89 1hi5 n ILE 16 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1hi5 n ASN 17 N -2.77 5.20 -4.56 4.38 3.02 0.34 -4.84 115.26 116.05 1hi5 n ASN 17 Ca -0.00 -3.00 -0.41 0.00 -0.03 0.00 0.00 54.58 51.13 1hi5 n ASN 17 Cb 0.50 -1.55 -0.03 0.00 -0.61 0.00 0.00 39.78 38.09 1hi5 n ASN 17 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1hi5 s MET 18 N 1.35 3.20 0.21 3.52 1.75 -1.26 -4.85 119.30 123.22 1hi5 s MET 18 Ca 0.42 -0.07 0.18 0.00 -1.25 0.00 0.00 55.69 54.97 1hi5 s MET 18 Cb -0.01 -4.17 0.87 0.00 2.84 0.00 0.00 34.83 34.36 1hi5 s MET 18 CO 0.00 -2.12 1.55 0.25 -0.65 0.00 0.00 175.02 174.05 1hi5 n THR 19 N 6.51 1.11 -3.74 10.11 -2.24 -1.26 -4.62 114.28 120.15 1hi5 n THR 19 Ca 0.06 0.48 -0.13 0.00 -2.27 0.00 0.00 64.05 62.18 1hi5 n THR 19 Cb 0.49 -1.43 -0.09 0.00 -2.10 0.00 0.00 70.33 67.20 1hi5 n THR 19 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1hi5 s SER 20 N -3.82 -0.32 0.00 3.42 0.15 -1.26 -4.96 113.70 106.90 1hi5 s SER 20 Ca 0.01 0.47 0.20 0.00 0.70 0.00 0.00 55.95 57.33 1hi5 s SER 20 Cb 0.07 0.56 1.07 0.00 -1.71 0.00 0.00 66.02 66.01 1hi5 s SER 20 CO 0.24 -0.30 1.60 0.00 1.20 0.00 0.00 173.24 175.98 1hi5 n GLN 21 N 2.07 0.42 -3.65 5.44 6.02 -1.26 -4.49 117.38 121.92 1hi5 n GLN 21 Ca -0.17 0.06 -0.36 0.00 -0.01 0.00 0.00 57.00 56.52 1hi5 n GLN 21 Cb 0.57 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.24 1hi5 n GLN 21 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1hi5 s GLN 22 N -2.35 4.14 0.20 -1.09 -1.52 -1.26 -5.01 119.66 112.77 1hi5 s GLN 22 Ca 0.23 -0.18 -0.10 0.00 -1.95 0.00 0.00 55.36 53.36 1hi5 s GLN 22 Cb 0.13 -3.48 0.14 0.00 -0.22 0.00 0.00 33.01 29.59 1hi5 s GLN 22 CO 0.27 0.16 1.84 0.00 -0.25 0.00 0.00 175.29 177.32 1hi5 h THR 24 N 1.01 0.87 -0.05 0.00 2.02 -1.91 0.25 112.91 115.11 1hi5 h THR 24 Ca 0.26 -0.19 -0.16 0.00 0.77 0.00 0.00 66.41 67.09 1hi5 h THR 24 Cb -0.02 0.27 0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1hi5 h THR 24 CO -0.05 0.10 -0.59 0.78 0.37 0.00 0.00 175.52 176.13 1hi5 h ASN 25 N 0.55 0.60 -0.71 4.18 -0.26 -1.90 -3.14 115.58 114.90 1hi5 h ASN 25 Ca 0.31 -0.70 0.03 0.00 -0.56 0.00 0.00 56.30 55.37 1hi5 h ASN 25 Cb 0.29 -0.18 -0.04 0.00 -1.06 0.00 0.00 38.32 37.33 1hi5 h ASN 25 CO -0.24 1.22 0.45 0.00 -1.06 0.00 0.00 177.43 177.80 1hi5 h ALA 26 N 0.40 0.93 0.00 -0.83 0.00 -0.86 -2.59 119.26 116.31 1hi5 h ALA 26 Ca -0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1hi5 h ALA 26 Cb 1.27 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1hi5 h ALA 26 CO 0.12 0.23 -0.04 0.52 0.00 0.00 0.00 179.25 180.08 1hi5 h MET 27 N 0.88 0.00 -0.65 0.00 2.86 -0.57 -2.88 114.93 114.57 1hi5 h MET 27 Ca 0.29 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1hi5 h MET 27 Cb 0.02 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 1hi5 h MET 27 CO -0.11 0.04 0.40 1.96 1.06 0.00 0.00 176.91 180.26 1hi5 h GLN 28 N 0.00 0.87 0.40 1.72 4.20 -1.41 0.33 115.11 121.22 1hi5 h GLN 28 Ca -0.00 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 1hi5 h GLN 28 Cb 0.42 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1hi5 h GLN 28 CO 0.01 0.60 -0.19 0.28 -0.67 0.00 0.00 178.83 178.86 1hi5 h VAL 29 N 0.89 0.61 -0.26 -0.54 2.07 -1.63 0.25 116.25 117.63 1hi5 h VAL 29 Ca 0.23 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1hi5 h VAL 29 Cb -0.05 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1hi5 h VAL 29 CO -0.05 0.01 0.16 0.40 0.02 0.00 0.00 177.57 178.12 1hi5 h ILE 30 N -0.57 1.08 -0.35 4.57 2.04 -1.57 -2.43 117.51 120.28 1hi5 h ILE 30 Ca -0.06 -0.17 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 1hi5 h ILE 30 Cb 0.43 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1hi5 h ILE 30 CO 0.09 0.08 -0.19 0.78 0.00 0.00 0.00 178.15 178.90 1hi5 h ASN 31 N 0.34 0.66 0.70 1.72 2.35 -0.88 -0.86 115.58 119.60 1hi5 h ASN 31 Ca 0.09 -0.22 -0.07 0.00 -0.55 0.00 0.00 56.30 55.55 1hi5 h ASN 31 Cb -0.02 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 1hi5 h ASN 31 CO -0.02 0.85 -0.35 0.78 -1.65 0.00 0.00 177.43 177.05 1hi5 h ASN 32 N 0.59 0.00 0.18 5.81 2.35 -0.38 -1.08 115.58 123.05 1hi5 h ASN 32 Ca 0.09 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.57 1hi5 h ASN 32 Cb 0.65 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.04 1hi5 h ASN 32 CO 0.05 0.35 -1.25 1.88 -1.65 0.00 0.00 177.43 176.81 1hi5 h TYR 33 N 0.00 0.69 -0.38 1.19 0.05 -1.04 -3.35 116.97 114.14 1hi5 h TYR 33 Ca -0.00 -0.51 0.00 0.00 0.05 0.00 0.00 58.73 58.27 1hi5 h TYR 33 Cb 0.79 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.50 1hi5 h TYR 33 CO 0.00 1.48 0.00 0.00 -1.05 0.00 0.00 178.16 178.59 1hi5 n GLN 34 N -3.90 2.21 -3.82 4.88 10.64 -0.36 -4.66 117.38 122.36 1hi5 n GLN 34 Ca -0.18 -1.84 -0.25 0.00 -1.83 0.00 0.00 57.00 52.90 1hi5 n GLN 34 Cb 0.96 -1.45 0.01 0.00 -0.86 0.00 0.00 30.24 28.90 1hi5 n GLN 34 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1hi5 n ARG 35 N 1.03 -3.48 0.00 2.61 5.12 -0.42 -4.92 116.66 116.59 1hi5 n ARG 35 Ca 0.18 0.49 0.00 0.00 -1.93 0.00 0.00 57.85 56.59 1hi5 n ARG 35 Cb 0.48 -4.69 0.00 0.00 -1.16 0.00 0.00 32.46 27.09 1hi5 n ARG 35 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1hi5 n ARG 36 N -4.31 0.00 -2.72 5.56 1.85 -1.14 -5.08 116.66 110.82 1hi5 n ARG 36 Ca -0.27 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.15 1hi5 n ARG 36 Cb 0.67 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 32.05 1hi5 n ARG 36 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1hi5 s LYS 38 N 4.06 4.18 0.26 0.00 2.20 -1.26 -4.91 119.74 124.28 1hi5 s LYS 38 Ca 0.42 2.45 -0.01 0.00 -0.36 0.00 0.00 55.97 58.47 1hi5 s LYS 38 Cb -0.09 -3.19 0.35 0.00 -1.51 0.00 0.00 37.83 33.39 1hi5 s LYS 38 CO 0.28 -0.68 1.76 -0.97 -0.36 0.00 0.00 175.35 175.39 1hi5 h ASN 39 N 7.04 0.73 -3.69 1.43 -0.73 -1.94 -3.42 115.58 115.00 1hi5 h ASN 39 Ca -0.43 -0.18 -0.17 0.00 1.87 0.00 0.00 56.30 57.40 1hi5 h ASN 39 Cb 1.20 -0.20 -0.27 0.00 0.27 0.00 0.00 38.32 39.33 1hi5 h ASN 39 CO 0.93 0.81 -0.43 -1.58 -0.37 0.00 0.00 177.43 176.80 1hi5 s GLN 40 N -4.97 0.28 -0.21 6.67 0.74 -1.26 -1.11 119.66 119.81 1hi5 s GLN 40 Ca -0.09 0.42 -0.14 0.00 0.05 0.00 0.00 55.36 55.59 1hi5 s GLN 40 Cb 0.15 0.08 0.06 0.00 1.10 0.00 0.00 33.01 34.40 1hi5 s GLN 40 CO 0.81 -0.07 0.53 1.21 -0.55 0.00 0.00 175.29 177.22 1hi5 s ASN 41 N 0.45 -0.66 -0.18 6.67 2.47 -0.85 -5.01 114.94 117.83 1hi5 s ASN 41 Ca -0.03 1.14 -0.08 0.00 0.42 0.00 0.00 52.86 54.32 1hi5 s ASN 41 Cb -0.04 1.06 -0.04 0.00 -1.45 0.00 0.00 41.25 40.78 1hi5 s ASN 41 CO -0.02 -0.21 0.08 -0.89 -3.72 0.00 0.00 177.10 172.34 1hi5 s THR 42 N 1.16 4.95 -0.25 -5.21 2.01 -1.26 -0.59 115.64 116.44 1hi5 s THR 42 Ca -0.07 0.02 -0.06 0.00 0.31 0.00 0.00 61.69 61.88 1hi5 s THR 42 Cb -0.06 -3.22 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 1hi5 s THR 42 CO -0.11 0.48 0.05 -0.36 -0.69 0.00 0.00 174.62 173.98 1hi5 s PHE 43 N 0.20 3.07 -0.15 4.92 0.08 0.06 -4.28 117.98 121.87 1hi5 s PHE 43 Ca 0.05 -0.66 -0.25 0.00 0.12 0.00 0.00 56.93 56.20 1hi5 s PHE 43 Cb -0.12 -2.21 -0.02 0.00 -0.57 0.00 0.00 43.02 40.10 1hi5 s PHE 43 CO 0.00 -0.45 0.81 -0.51 -0.10 0.00 0.00 175.22 174.98 1hi5 s LEU 44 N 1.56 4.20 -1.33 -0.37 1.43 0.13 -1.28 118.68 123.02 1hi5 s LEU 44 Ca 0.05 1.18 -0.14 0.00 -1.03 0.00 0.00 54.13 54.20 1hi5 s LEU 44 Cb -0.15 -3.22 0.10 0.00 0.03 0.00 0.00 46.19 42.95 1hi5 s LEU 44 CO 0.02 -0.35 1.86 0.18 0.23 0.00 0.00 176.35 178.29 1hi5 n LEU 45 N 4.99 5.93 -3.97 1.79 4.77 0.34 -4.62 117.00 126.22 1hi5 n LEU 45 Ca 0.04 -4.23 -0.11 0.00 -0.03 0.00 0.00 56.01 51.68 1hi5 n LEU 45 Cb 0.49 -1.65 -0.02 0.00 -2.33 0.00 0.00 43.42 39.91 1hi5 n LEU 45 CO 0.48 0.79 0.28 0.28 -1.33 0.00 0.00 177.39 177.89 1hi5 s THR 46 N 2.68 0.00 0.25 -5.08 -1.32 -1.26 -4.46 115.64 106.46 1hi5 s THR 46 Ca 0.47 -1.35 0.02 0.00 -1.21 0.00 0.00 61.69 59.62 1hi5 s THR 46 Cb 0.07 -2.58 -0.03 0.00 -1.51 0.00 0.00 72.50 68.44 1hi5 s THR 46 CO -0.00 0.00 0.42 0.42 -2.21 0.00 0.00 174.62 173.25 1hi5 s THR 47 N -3.09 5.20 0.18 5.08 -4.23 -1.26 -4.94 115.64 112.58 1hi5 s THR 47 Ca 0.23 -0.64 -0.13 0.00 -1.18 0.00 0.00 61.69 59.97 1hi5 s THR 47 Cb -0.02 -3.82 0.09 0.00 1.34 0.00 0.00 72.50 70.09 1hi5 s THR 47 CO 0.15 -0.34 1.83 0.15 -0.54 0.00 0.00 174.62 175.87 1hi5 h PHE 48 N 1.34 0.76 -0.87 3.99 3.57 -1.98 -2.09 116.94 121.67 1hi5 h PHE 48 Ca -0.50 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.02 1hi5 h PHE 48 Cb 1.21 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 1hi5 h PHE 48 CO 0.50 0.50 0.58 0.00 -2.23 0.00 0.00 178.31 177.67 1hi5 h ALA 49 N 1.19 1.38 -0.57 2.41 0.00 -1.99 0.20 119.26 121.89 1hi5 h ALA 49 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1hi5 h ALA 49 Cb -0.05 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 1hi5 h ALA 49 CO -0.04 0.57 0.36 -0.91 0.00 0.00 0.00 179.25 179.23 1hi5 h ASN 50 N 1.18 0.66 -0.51 0.00 2.35 -1.81 -1.13 115.58 116.33 1hi5 h ASN 50 Ca 0.32 -0.03 -0.13 0.00 -0.55 0.00 0.00 56.30 55.91 1hi5 h ASN 50 Cb -0.13 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 1hi5 h ASN 50 CO -0.07 0.50 -0.18 0.58 -1.65 0.00 0.00 177.43 176.60 1hi5 h VAL 51 N 0.77 1.27 -0.89 2.81 2.07 -0.72 -2.16 116.25 119.40 1hi5 h VAL 51 Ca 0.21 -1.35 0.03 0.00 0.82 0.00 0.00 66.70 66.41 1hi5 h VAL 51 Cb -0.06 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1hi5 h VAL 51 CO -0.04 0.47 0.58 0.58 0.02 0.00 0.00 177.57 179.18 1hi5 h VAL 52 N 0.89 1.16 -0.04 2.57 2.07 -0.63 -0.58 116.25 121.69 1hi5 h VAL 52 Ca 0.12 -0.39 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 1hi5 h VAL 52 Cb 0.76 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1hi5 h VAL 52 CO 0.06 0.21 -0.47 0.78 0.02 0.00 0.00 177.57 178.17 1hi5 h ASN 53 N 1.12 0.10 0.46 0.57 2.35 -0.90 -1.85 115.58 117.44 1hi5 h ASN 53 Ca 0.35 -0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 56.00 1hi5 h ASN 53 Cb -0.01 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1hi5 h ASN 53 CO -0.10 0.56 -0.23 0.58 -1.65 0.00 0.00 177.43 176.59 1hi5 h VAL 54 N 0.08 0.84 0.00 2.81 2.07 -0.50 0.11 116.25 121.66 1hi5 h VAL 54 Ca 0.00 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1hi5 h VAL 54 Cb 0.86 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1hi5 h VAL 54 CO 0.07 0.23 0.00 0.00 0.02 0.00 0.00 177.57 177.88 1hi5 n GLY 56 N -0.78 -1.13 3.80 0.00 0.00 0.39 -4.89 105.19 102.59 1hi5 n GLY 56 Ca -0.01 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 1hi5 n GLY 56 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hi5 s ASN 57 N -2.75 3.90 0.44 1.61 0.01 -0.16 -4.95 114.94 113.02 1hi5 s ASN 57 Ca 0.20 1.06 -0.24 0.00 -0.71 0.00 0.00 52.86 53.16 1hi5 s ASN 57 Cb 0.19 -1.68 -0.10 0.00 0.41 0.00 0.00 41.25 40.08 1hi5 s ASN 57 CO 0.56 -2.32 1.15 -2.65 -1.51 0.00 0.00 177.10 172.33 1hi5 n PRO 58 N -3.62 1.62 -2.14 -0.60 -0.02 -1.26 -4.90 135.00 124.07 1hi5 n PRO 58 Ca 0.07 0.58 -0.39 0.00 -2.02 0.00 0.00 63.50 61.73 1hi5 n PRO 58 Cb 0.58 -2.24 -0.01 0.00 -0.02 0.00 0.00 33.50 31.81 1hi5 n PRO 58 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1hi5 s ASN 59 N -0.68 6.46 0.09 2.55 -0.87 -1.26 -4.42 114.94 116.80 1hi5 s ASN 59 Ca 0.63 2.56 -0.08 0.00 -1.57 0.00 0.00 52.86 54.41 1hi5 s ASN 59 Cb -0.52 -2.63 -0.01 0.00 -0.02 0.00 0.00 41.25 38.07 1hi5 s ASN 59 CO 0.56 -0.74 0.16 0.00 -2.57 0.00 0.00 177.10 174.52 1hi5 s MET 60 N -2.17 0.83 0.27 -0.60 0.23 -0.06 -4.99 119.30 112.81 1hi5 s MET 60 Ca 0.55 -1.00 -0.30 0.00 -1.03 0.00 0.00 55.69 53.91 1hi5 s MET 60 Cb -0.36 0.33 -0.10 0.00 -1.53 0.00 0.00 34.83 33.17 1hi5 s MET 60 CO 0.46 -0.25 1.35 0.99 -2.03 0.00 0.00 175.02 175.54 1hi5 s THR 61 N -3.87 2.82 -0.30 3.16 2.01 -1.26 -2.66 115.64 115.54 1hi5 s THR 61 Ca 0.06 0.74 -0.29 0.00 0.31 0.00 0.00 61.69 62.50 1hi5 s THR 61 Cb 0.05 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 69.10 1hi5 s THR 61 CO -0.10 0.14 1.27 0.00 -0.69 0.00 0.00 174.62 175.24 1hi5 h PRO 63 N 9.10 0.53 0.00 0.00 0.11 -1.91 -1.10 132.00 138.73 1hi5 h PRO 63 Ca -0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1hi5 h PRO 63 Cb 1.09 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1hi5 h PRO 63 CO 1.03 0.35 -0.11 0.77 -0.21 0.00 0.00 178.00 179.83 1hi5 h SER 64 N 0.55 0.00 -1.76 -2.05 0.02 -1.91 -3.40 113.55 105.00 1hi5 h SER 64 Ca 0.56 -0.03 -0.34 0.00 -0.84 0.00 0.00 61.79 61.13 1hi5 h SER 64 Cb 1.16 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.42 1hi5 h SER 64 CO -0.30 0.02 -0.69 0.21 -1.14 0.00 0.00 176.83 174.93 1hi5 s ASN 65 N -4.66 0.46 0.58 3.07 3.84 -0.44 -5.02 114.94 112.76 1hi5 s ASN 65 Ca 0.09 -1.84 0.17 0.00 0.21 0.00 0.00 52.86 51.50 1hi5 s ASN 65 Cb 0.12 0.75 0.94 0.00 -0.55 0.00 0.00 41.25 42.51 1hi5 s ASN 65 CO 0.63 -0.19 1.49 0.11 -2.79 0.00 0.00 177.10 176.35 1hi5 h LYS 66 N 6.38 0.00 -0.00 0.43 1.79 -1.72 0.15 116.57 123.60 1hi5 h LYS 66 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1hi5 h LYS 66 Cb 1.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 1hi5 h LYS 66 CO 0.19 0.00 -0.21 0.25 -1.08 0.00 0.00 179.45 178.60 1hi5 n THR 67 N -2.55 0.00 -3.86 -0.16 -2.24 -1.26 -4.80 114.28 99.41 1hi5 n THR 67 Ca -0.01 -0.01 -0.37 0.00 -2.27 0.00 0.00 64.05 61.38 1hi5 n THR 67 Cb 0.55 -0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 1hi5 n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1hi5 s ARG 68 N -2.88 3.48 -0.12 -0.78 1.81 0.52 -4.99 118.95 115.98 1hi5 s ARG 68 Ca 0.16 -0.10 0.16 0.00 -1.72 0.00 0.00 55.73 54.23 1hi5 s ARG 68 Cb 0.19 -3.20 0.28 0.00 -0.45 0.00 0.00 34.95 31.77 1hi5 s ARG 68 CO 0.58 0.76 1.14 1.17 -0.68 0.00 0.00 175.30 178.28 1hi5 n LYS 69 N 2.01 1.16 -0.91 3.54 3.00 -1.26 -1.29 118.16 124.40 1hi5 n LYS 69 Ca -0.20 -2.50 0.01 0.00 -0.00 0.00 0.00 58.31 55.62 1hi5 n LYS 69 Cb 0.55 -1.37 0.34 0.00 0.00 0.00 0.00 35.03 34.54 1hi5 n LYS 69 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1hi5 n ASN 70 N -1.19 5.04 -4.94 3.14 6.94 -1.26 -4.10 115.26 118.88 1hi5 n ASN 70 Ca 0.14 -3.11 -0.24 0.00 -0.02 0.00 0.00 54.58 51.35 1hi5 n ASN 70 Cb 0.66 -0.70 -0.01 0.00 -2.36 0.00 0.00 39.78 37.37 1hi5 n ASN 70 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hi5 s HIS 72 N -2.35 -0.17 -0.09 0.00 3.76 0.11 -0.88 115.29 115.66 1hi5 s HIS 72 Ca 0.41 0.42 -0.13 0.00 -0.15 0.00 0.00 55.06 55.60 1hi5 s HIS 72 Cb -0.10 0.05 -0.05 0.00 1.11 0.00 0.00 32.58 33.59 1hi5 s HIS 72 CO 0.37 -0.09 0.32 -1.58 -0.85 0.00 0.00 174.74 172.91 1hi5 s HIS 73 N 0.18 3.59 0.53 1.40 2.46 -1.26 -0.86 115.29 121.32 1hi5 s HIS 73 Ca -0.01 0.76 0.28 0.00 0.47 0.00 0.00 55.06 56.56 1hi5 s HIS 73 Cb -0.02 -2.26 1.66 0.00 -0.13 0.00 0.00 32.58 31.83 1hi5 s HIS 73 CO -0.00 0.49 2.18 0.66 -2.47 0.00 0.00 174.74 175.60 1hi5 h SER 74 N 5.59 0.00 0.00 9.88 4.64 -1.31 -3.46 113.55 128.89 1hi5 h SER 74 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1hi5 h SER 74 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1hi5 h SER 74 CO 0.67 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.28 1hi5 n GLY 75 N -1.11 0.53 3.37 -0.77 0.00 -1.26 -4.89 105.19 101.05 1hi5 n GLY 75 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1hi5 n GLY 75 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hi5 s SER 76 N -2.44 -0.52 0.51 1.61 0.15 -1.26 -5.15 113.70 106.59 1hi5 s SER 76 Ca 0.00 0.98 -0.18 0.00 0.70 0.00 0.00 55.95 57.44 1hi5 s SER 76 Cb 0.00 0.97 -0.08 0.00 -1.71 0.00 0.00 66.02 65.20 1hi5 s SER 76 CO 0.00 -0.17 1.01 -1.10 1.20 0.00 0.00 173.24 174.18 1hi5 s GLN 77 N 0.50 3.81 0.07 5.44 -0.21 -1.26 -4.59 119.66 123.40 1hi5 s GLN 77 Ca -0.02 1.18 0.01 0.00 0.02 0.00 0.00 55.36 56.56 1hi5 s GLN 77 Cb -0.04 -2.11 -0.03 0.00 1.00 0.00 0.00 33.01 31.83 1hi5 s GLN 77 CO -0.02 -0.40 -0.06 0.14 -2.12 0.00 0.00 175.29 172.82 1hi5 s VAL 78 N -2.28 0.54 0.32 1.09 -7.23 0.69 -4.85 120.40 108.67 1hi5 s VAL 78 Ca 0.63 -1.53 -0.28 0.00 -1.81 0.00 0.00 61.98 58.99 1hi5 s VAL 78 Cb -0.13 -1.16 -0.10 0.00 0.56 0.00 0.00 36.38 35.55 1hi5 s VAL 78 CO 0.25 -0.68 1.21 -2.84 -0.31 0.00 0.00 175.10 172.73 1hi5 s PRO 79 N -2.84 4.42 0.05 4.82 0.02 -1.26 -1.71 135.00 138.49 1hi5 s PRO 79 Ca 0.01 2.01 -0.08 0.00 0.02 0.00 0.00 61.00 62.96 1hi5 s PRO 79 Cb -0.01 -3.06 -0.00 0.00 0.02 0.00 0.00 34.50 31.45 1hi5 s PRO 79 CO -0.03 -0.06 0.17 -0.48 -0.33 0.00 0.00 177.00 176.27 1hi5 s LEU 80 N -1.77 1.48 -0.16 -5.54 0.05 0.12 -0.50 118.68 112.36 1hi5 s LEU 80 Ca 0.48 -0.48 0.02 0.00 0.05 0.00 0.00 54.13 54.20 1hi5 s LEU 80 Cb -0.36 0.90 0.02 0.00 -2.05 0.00 0.00 46.19 44.70 1hi5 s LEU 80 CO 0.46 -0.59 -0.20 -0.63 -0.55 0.00 0.00 176.35 174.84 1hi5 s ILE 81 N -2.94 2.01 -0.24 1.48 1.01 -0.41 -1.71 121.20 120.40 1hi5 s ILE 81 Ca -0.02 -0.93 -0.08 0.00 0.00 0.00 0.00 60.65 59.62 1hi5 s ILE 81 Cb 0.01 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 1hi5 s ILE 81 CO -0.06 0.53 0.09 -2.28 0.00 0.00 0.00 174.94 173.23 1hi5 s HIS 82 N 1.09 3.14 -0.12 3.97 2.46 -0.37 -0.76 115.29 124.70 1hi5 s HIS 82 Ca -0.01 -0.22 -0.14 0.00 0.47 0.00 0.00 55.06 55.17 1hi5 s HIS 82 Cb -0.14 -2.24 -0.05 0.00 -0.13 0.00 0.00 32.58 30.02 1hi5 s HIS 82 CO -0.08 -0.22 0.33 0.00 -2.47 0.00 0.00 174.74 172.30 1hi5 s ASN 84 N 0.08 2.52 0.09 0.00 0.01 -0.74 -2.01 114.94 114.88 1hi5 s ASN 84 Ca 0.19 -0.45 -0.31 0.00 -0.71 0.00 0.00 52.86 51.59 1hi5 s ASN 84 Cb -0.14 -1.13 -0.09 0.00 0.41 0.00 0.00 41.25 40.30 1hi5 s ASN 84 CO 0.07 0.03 1.72 -0.22 -1.51 0.00 0.00 177.10 177.19 1hi5 s LEU 85 N 0.90 4.38 -0.09 0.60 2.96 -0.27 -0.58 118.68 126.57 1hi5 s LEU 85 Ca -0.08 2.59 0.11 0.00 -0.22 0.00 0.00 54.13 56.53 1hi5 s LEU 85 Cb -0.15 -3.56 -0.16 0.00 0.50 0.00 0.00 46.19 42.81 1hi5 s LEU 85 CO -0.00 -0.93 0.10 0.35 -1.32 0.00 0.00 176.35 174.54 1hi5 n THR 86 N 4.74 0.63 -3.69 3.68 -2.24 0.21 -4.85 114.28 112.75 1hi5 n THR 86 Ca 0.17 -0.46 -0.29 0.00 -2.27 0.00 0.00 64.05 61.20 1hi5 n THR 86 Cb 0.40 -0.48 -0.12 0.00 -2.10 0.00 0.00 70.33 68.02 1hi5 n THR 86 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1hi5 s THR 87 N -2.43 1.54 0.25 4.28 2.01 -0.99 -4.96 115.64 115.34 1hi5 s THR 87 Ca -0.06 -2.97 -0.30 0.00 0.31 0.00 0.00 61.69 58.68 1hi5 s THR 87 Cb 0.05 -2.06 -0.10 0.00 0.01 0.00 0.00 72.50 70.40 1hi5 s THR 87 CO 0.50 -0.99 1.42 -2.84 -0.69 0.00 0.00 174.62 172.02 1hi5 s PRO 88 N -0.11 4.29 -0.41 4.92 0.02 -1.26 -3.11 135.00 139.33 1hi5 s PRO 88 Ca 0.22 2.26 0.07 0.00 0.02 0.00 0.00 61.00 63.58 1hi5 s PRO 88 Cb -0.14 -3.12 0.24 0.00 0.02 0.00 0.00 34.50 31.50 1hi5 s PRO 88 CO -0.07 -0.39 0.58 0.45 -0.33 0.00 0.00 177.00 177.24 1hi5 n SER 89 N 2.31 -0.52 -0.04 2.53 2.88 -1.26 -4.98 113.62 114.54 1hi5 n SER 89 Ca 0.06 -2.79 0.15 0.00 -1.33 0.00 0.00 58.87 54.97 1hi5 n SER 89 Cb 0.41 -0.12 0.58 0.00 -0.75 0.00 0.00 64.21 64.33 1hi5 n SER 89 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1hi5 h PRO 90 N 4.14 0.21 -0.00 -1.46 0.11 -1.98 0.09 132.00 133.11 1hi5 h PRO 90 Ca 0.04 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1hi5 h PRO 90 Cb 0.91 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1hi5 h PRO 90 CO 0.42 0.14 -0.00 0.00 -0.21 0.00 0.00 178.00 178.35 1hi5 n GLN 91 N -4.44 0.78 -3.15 1.05 0.00 -1.26 -4.63 117.38 105.73 1hi5 n GLN 91 Ca 0.09 -0.02 0.06 0.00 0.00 0.00 0.00 57.00 57.13 1hi5 n GLN 91 Cb 0.46 -1.50 -0.01 0.00 0.00 0.00 0.00 30.24 29.20 1hi5 n GLN 91 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1hi5 s ASN 92 N -2.24 -0.13 0.51 2.61 3.04 0.00 -5.07 114.94 113.67 1hi5 s ASN 92 Ca 0.40 0.04 0.30 0.00 0.04 0.00 0.00 52.86 53.63 1hi5 s ASN 92 Cb 0.21 1.09 1.06 0.00 -1.54 0.00 0.00 41.25 42.07 1hi5 s ASN 92 CO 0.41 -0.02 1.87 0.16 -3.04 0.00 0.00 177.10 176.48 1hi5 h ILE 93 N 4.51 0.04 0.00 -5.21 3.07 -1.77 -3.09 117.51 115.06 1hi5 h ILE 93 Ca -0.11 -0.69 0.00 0.00 1.55 0.00 0.00 64.86 65.61 1hi5 h ILE 93 Cb 1.17 1.67 0.00 0.00 -0.27 0.00 0.00 36.82 39.39 1hi5 h ILE 93 CO -0.18 0.02 0.00 -1.54 -1.05 0.00 0.00 178.15 175.40 1hi5 n SER 94 N -3.11 0.00 -1.27 2.16 3.41 -1.26 -2.44 113.62 111.10 1hi5 n SER 94 Ca 0.01 -0.29 0.10 0.00 -0.26 0.00 0.00 58.87 58.43 1hi5 n SER 94 Cb 0.38 -0.20 0.30 0.00 -0.26 0.00 0.00 64.21 64.42 1hi5 n SER 94 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1hi5 n ASN 95 N -1.20 4.04 -4.72 4.04 3.02 -1.17 -4.94 115.26 114.34 1hi5 n ASN 95 Ca 0.14 -2.21 -0.41 0.00 -0.03 0.00 0.00 54.58 52.07 1hi5 n ASN 95 Cb 0.17 -0.47 -0.04 0.00 -0.61 0.00 0.00 39.78 38.83 1hi5 n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hi5 s ARG 97 N 0.65 2.24 0.13 0.00 0.52 -1.18 -4.93 118.95 116.38 1hi5 s ARG 97 Ca 0.46 -1.07 0.04 0.00 -0.52 0.00 0.00 55.73 54.63 1hi5 s ARG 97 Cb -0.21 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 32.90 1hi5 s ARG 97 CO 0.25 0.48 -0.09 0.71 0.02 0.00 0.00 175.30 176.68 1hi5 s TYR 98 N -1.47 1.15 0.23 -0.53 1.51 -1.26 -0.62 117.35 116.35 1hi5 s TYR 98 Ca 0.24 -0.81 0.06 0.00 -1.01 0.00 0.00 57.07 55.56 1hi5 s TYR 98 Cb -0.10 -0.60 -0.04 0.00 -0.11 0.00 0.00 41.96 41.11 1hi5 s TYR 98 CO 0.16 0.01 0.21 0.00 -1.11 0.00 0.00 175.55 174.82 1hi5 s ALA 99 N -3.41 3.65 -0.04 3.71 0.00 0.25 -4.46 121.76 121.46 1hi5 s ALA 99 Ca 0.15 -1.33 0.04 0.00 0.00 0.00 0.00 51.96 50.82 1hi5 s ALA 99 Cb 0.03 -1.40 -0.00 0.00 0.00 0.00 0.00 23.12 21.75 1hi5 s ALA 99 CO -0.01 0.32 -0.16 1.14 0.00 0.00 0.00 175.76 177.05 1hi5 s GLN 100 N -3.68 1.69 -0.22 0.00 0.00 -1.26 -1.79 119.66 114.40 1hi5 s GLN 100 Ca 0.33 -0.55 0.00 0.00 -0.00 0.00 0.00 55.36 55.14 1hi5 s GLN 100 Cb -0.09 -1.46 0.06 0.00 0.00 0.00 0.00 33.01 31.52 1hi5 s GLN 100 CO 0.25 0.20 -0.05 0.99 0.00 0.00 0.00 175.29 176.69 1hi5 s THR 101 N 0.13 1.37 0.43 3.63 2.01 -0.29 -4.94 115.64 117.97 1hi5 s THR 101 Ca -0.05 -1.04 -0.21 0.00 0.31 0.00 0.00 61.69 60.70 1hi5 s THR 101 Cb -0.12 -1.63 -0.10 0.00 0.01 0.00 0.00 72.50 70.66 1hi5 s THR 101 CO 0.02 -0.05 0.97 -2.16 -0.69 0.00 0.00 174.62 172.71 1hi5 s PRO 102 N 1.48 4.17 0.11 4.92 0.04 -1.26 -1.23 135.00 143.24 1hi5 s PRO 102 Ca -0.04 1.20 -0.26 0.00 0.04 0.00 0.00 61.00 61.94 1hi5 s PRO 102 Cb -0.18 -2.23 0.07 0.00 0.04 0.00 0.00 34.50 32.20 1hi5 s PRO 102 CO -0.07 -0.09 0.96 0.00 0.04 0.00 0.00 177.00 177.84 1hi5 s ALA 103 N -2.07 -1.71 -0.23 8.56 0.00 -0.69 -4.97 121.76 120.65 1hi5 s ALA 103 Ca 0.62 0.33 -0.01 0.00 0.00 0.00 0.00 51.96 52.90 1hi5 s ALA 103 Cb -0.12 0.58 0.07 0.00 0.00 0.00 0.00 23.12 23.65 1hi5 s ALA 103 CO 0.16 -0.97 0.00 -0.80 0.00 0.00 0.00 175.76 174.15 1hi5 s ASN 104 N -2.85 3.52 0.26 0.00 -0.87 -1.26 0.10 114.94 113.85 1hi5 s ASN 104 Ca 0.11 -1.11 -0.02 0.00 -1.57 0.00 0.00 52.86 50.27 1hi5 s ASN 104 Cb -0.01 -0.92 -0.02 0.00 -0.02 0.00 0.00 41.25 40.27 1hi5 s ASN 104 CO -0.00 -0.29 0.28 -0.04 -2.57 0.00 0.00 177.10 174.48 1hi5 s MET 105 N 1.59 1.50 0.53 -0.60 -1.94 -0.70 -4.77 119.30 114.91 1hi5 s MET 105 Ca -0.02 -1.67 -0.08 0.00 -1.71 0.00 0.00 55.69 52.22 1hi5 s MET 105 Cb -0.18 0.35 -0.04 0.00 2.01 0.00 0.00 34.83 36.97 1hi5 s MET 105 CO -0.09 -0.56 0.88 -0.06 -0.01 0.00 0.00 175.02 175.19 1hi5 s PHE 106 N -3.80 3.59 0.05 -0.03 0.08 -1.26 -0.23 117.98 116.38 1hi5 s PHE 106 Ca 0.35 1.02 0.04 0.00 0.12 0.00 0.00 56.93 58.46 1hi5 s PHE 106 Cb 0.03 -2.48 -0.03 0.00 -0.57 0.00 0.00 43.02 39.98 1hi5 s PHE 106 CO 0.16 -0.44 -0.11 1.52 -0.10 0.00 0.00 175.22 176.25 1hi5 s TYR 107 N -2.90 0.96 -0.16 0.36 1.13 -1.26 -1.12 117.35 114.36 1hi5 s TYR 107 Ca 0.51 -0.46 0.02 0.00 -1.41 0.00 0.00 57.07 55.73 1hi5 s TYR 107 Cb -0.11 -0.56 0.02 0.00 -1.10 0.00 0.00 41.96 40.21 1hi5 s TYR 107 CO 0.48 -0.01 -0.21 0.42 -2.51 0.00 0.00 175.55 173.72 1hi5 s ILE 108 N -1.25 2.07 0.06 -3.49 1.01 0.65 -0.80 121.20 119.45 1hi5 s ILE 108 Ca -0.05 -0.96 0.09 0.00 0.00 0.00 0.00 60.65 59.74 1hi5 s ILE 108 Cb -0.10 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 1hi5 s ILE 108 CO 0.01 0.54 -0.26 0.68 0.00 0.00 0.00 174.94 175.92 1hi5 s VAL 109 N 1.08 2.21 -0.04 2.92 -7.23 -0.04 -1.43 120.40 117.87 1hi5 s VAL 109 Ca -0.00 -1.43 -0.17 0.00 -1.81 0.00 0.00 61.98 58.57 1hi5 s VAL 109 Cb -0.14 -1.88 -0.05 0.00 0.56 0.00 0.00 36.38 34.86 1hi5 s VAL 109 CO -0.08 0.32 0.47 0.00 -0.31 0.00 0.00 175.10 175.51 1hi5 s ALA 110 N -0.85 3.58 0.10 1.32 0.00 -0.43 0.05 121.76 125.52 1hi5 s ALA 110 Ca 0.12 -0.15 0.05 0.00 0.00 0.00 0.00 51.96 51.99 1hi5 s ALA 110 Cb -0.10 -2.56 -0.03 0.00 0.00 0.00 0.00 23.12 20.43 1hi5 s ALA 110 CO 0.03 0.25 -0.14 0.00 0.00 0.00 0.00 175.76 175.90 1hi5 s ASP 112 N -2.23 0.68 0.46 0.00 2.15 -0.42 -4.85 116.67 112.47 1hi5 s ASP 112 Ca 0.05 -1.42 -0.23 0.00 0.43 0.00 0.00 52.55 51.39 1hi5 s ASP 112 Cb -0.06 0.54 -0.07 0.00 -0.30 0.00 0.00 42.92 43.03 1hi5 s ASP 112 CO 0.02 -1.09 1.14 0.20 -0.17 0.00 0.00 175.17 175.28 1hi5 s ASN 113 N -3.21 6.19 0.85 -0.34 0.01 -1.26 -1.07 114.94 116.12 1hi5 s ASN 113 Ca 0.34 2.25 -0.11 0.00 -0.71 0.00 0.00 52.86 54.62 1hi5 s ASN 113 Cb 0.02 -2.60 0.11 0.00 0.41 0.00 0.00 41.25 39.19 1hi5 s ASN 113 CO 0.17 -0.90 1.15 0.00 -1.51 0.00 0.00 177.10 176.02 1hi5 s ARG 114 N -2.76 1.47 -0.40 -0.60 1.70 0.25 -4.80 118.95 113.81 1hi5 s ARG 114 Ca 0.64 1.54 -0.28 0.00 -0.47 0.00 0.00 55.73 57.15 1hi5 s ARG 114 Cb -0.27 -1.78 -0.01 0.00 -0.57 0.00 0.00 34.95 32.32 1hi5 s ARG 114 CO 0.32 -2.30 1.68 0.34 -1.08 0.00 0.00 175.30 174.26 1hi5 s ASP 115 N -2.65 5.96 0.26 -2.89 -1.08 -1.26 -4.88 116.67 110.13 1hi5 s ASP 115 Ca 0.67 1.01 -0.03 0.00 -0.52 0.00 0.00 52.55 53.68 1hi5 s ASP 115 Cb -0.23 -2.53 0.55 0.00 -1.46 0.00 0.00 42.92 39.24 1hi5 s ASP 115 CO 0.55 -1.71 1.66 1.56 0.52 0.00 0.00 175.17 177.75 1hi5 h GLN 116 N 12.40 0.20 0.14 4.34 1.08 -1.90 0.11 115.11 131.48 1hi5 h GLN 116 Ca -0.31 -0.01 -0.28 0.00 -1.45 0.00 0.00 58.65 56.60 1hi5 h GLN 116 Cb 1.15 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 28.54 1hi5 h GLN 116 CO 1.08 0.13 -1.26 0.00 -0.95 0.00 0.00 178.83 177.83 1hi5 h ARG 117 N 0.21 0.31 0.00 1.46 3.08 -2.03 -3.41 114.38 114.00 1hi5 h ARG 117 Ca 0.46 -0.52 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1hi5 h ARG 117 Cb 0.86 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1hi5 h ARG 117 CO -0.60 1.24 -1.56 0.54 -1.07 0.00 0.00 179.97 178.52 1hi5 n ARG 118 N -3.57 0.87 -2.98 0.04 1.74 -1.08 -5.00 116.66 106.69 1hi5 n ARG 118 Ca -0.09 -0.08 -0.40 0.00 -0.77 0.00 0.00 57.85 56.51 1hi5 n ARG 118 Cb 1.03 -1.26 -0.06 0.00 -1.02 0.00 0.00 32.46 31.14 1hi5 n ARG 118 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1hi5 s ASP 119 N -3.55 7.33 0.33 0.55 1.01 0.35 -5.01 116.67 117.69 1hi5 s ASP 119 Ca -0.04 1.58 -0.29 0.00 0.71 0.00 0.00 52.55 54.51 1hi5 s ASP 119 Cb 0.06 -2.49 -0.11 0.00 1.01 0.00 0.00 42.92 41.39 1hi5 s ASP 119 CO 0.45 0.14 1.46 -2.16 0.21 0.00 0.00 175.17 175.28 1hi5 s PRO 120 N -0.76 4.18 0.49 8.23 0.04 -1.26 -4.82 135.00 141.09 1hi5 s PRO 120 Ca 0.37 2.46 0.33 0.00 0.04 0.00 0.00 61.00 64.20 1hi5 s PRO 120 Cb -0.22 -3.02 1.76 0.00 0.04 0.00 0.00 34.50 33.05 1hi5 s PRO 120 CO 0.25 -0.47 2.01 -1.00 0.04 0.00 0.00 177.00 177.83 1hi5 h PRO 121 N 3.72 0.00 -0.80 0.56 0.13 -1.95 -3.00 132.00 130.67 1hi5 h PRO 121 Ca -0.49 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.81 1hi5 h PRO 121 Cb 1.23 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 1hi5 h PRO 121 CO 0.69 0.00 0.54 0.37 -0.23 0.00 0.00 178.00 179.37 1hi5 h GLN 122 N 0.00 0.36 -3.96 0.86 4.15 -2.03 -3.33 115.11 111.15 1hi5 h GLN 122 Ca 0.00 -0.02 -0.65 0.00 0.77 0.00 0.00 58.65 58.75 1hi5 h GLN 122 Cb 0.04 -0.08 -0.40 0.00 0.21 0.00 0.00 27.48 27.25 1hi5 h GLN 122 CO 0.00 0.24 -0.68 0.71 -1.93 0.00 0.00 178.83 177.17 1hi5 s TYR 123 N -5.37 3.35 0.45 3.99 2.02 -1.13 -4.96 117.35 115.70 1hi5 s TYR 123 Ca -0.08 -3.03 0.11 0.00 -0.37 0.00 0.00 57.07 53.70 1hi5 s TYR 123 Cb 0.22 -2.80 1.01 0.00 -0.40 0.00 0.00 41.96 39.99 1hi5 s TYR 123 CO 0.77 -0.84 2.07 -1.00 -1.57 0.00 0.00 175.55 174.98 1hi5 h PRO 124 N 7.06 0.27 -5.58 -1.71 0.13 -1.84 -3.42 132.00 126.92 1hi5 h PRO 124 Ca -0.06 -0.02 -0.68 0.00 -0.87 0.00 0.00 66.00 64.37 1hi5 h PRO 124 Cb 0.95 -0.06 -0.30 0.00 0.13 0.00 0.00 31.00 31.72 1hi5 h PRO 124 CO 0.60 0.22 -0.84 0.08 -0.23 0.00 0.00 178.00 177.82 1hi5 s VAL 125 N -5.20 2.38 0.05 1.56 1.01 -1.26 -0.59 120.40 118.35 1hi5 s VAL 125 Ca -0.06 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1hi5 s VAL 125 Cb 0.17 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1hi5 s VAL 125 CO 0.71 0.56 -0.05 0.68 0.00 0.00 0.00 175.10 177.00 1hi5 s VAL 126 N 0.14 0.34 0.30 2.92 -7.23 -0.23 -4.89 120.40 111.75 1hi5 s VAL 126 Ca -0.11 -1.45 -0.28 0.00 -1.81 0.00 0.00 61.98 58.32 1hi5 s VAL 126 Cb -0.16 -1.04 -0.09 0.00 0.56 0.00 0.00 36.38 35.65 1hi5 s VAL 126 CO 0.06 -0.72 1.08 -2.16 -0.31 0.00 0.00 175.10 173.05 1hi5 s PRO 127 N -2.80 4.56 0.00 4.82 0.04 -1.26 -1.30 135.00 139.06 1hi5 s PRO 127 Ca -0.01 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1hi5 s PRO 127 Cb -0.01 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.47 1hi5 s PRO 127 CO -0.05 0.16 0.07 1.33 0.04 0.00 0.00 177.00 178.56 1hi5 n VAL 128 N 0.95 0.00 -3.62 -0.36 0.24 0.17 -3.93 118.33 111.78 1hi5 n VAL 128 Ca 0.00 -0.30 -0.14 0.00 -2.04 0.00 0.00 64.34 61.86 1hi5 n VAL 128 Cb 0.46 1.10 -0.07 0.00 -1.47 0.00 0.00 33.84 33.86 1hi5 n VAL 128 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1hi5 s HIS 129 N -0.44 -0.77 -0.54 6.34 3.76 -1.18 -4.78 115.29 117.69 1hi5 s HIS 129 Ca 0.00 1.82 -0.19 0.00 -0.15 0.00 0.00 55.06 56.55 1hi5 s HIS 129 Cb 0.00 0.29 0.07 0.00 1.11 0.00 0.00 32.58 34.05 1hi5 s HIS 129 CO 0.00 -0.40 0.64 -1.17 -0.85 0.00 0.00 174.74 172.97 1hi5 s LEU 130 N 0.22 5.14 0.11 0.89 2.96 -1.26 -1.32 118.68 125.42 1hi5 s LEU 130 Ca -0.01 -1.11 -0.06 0.00 -0.22 0.00 0.00 54.13 52.73 1hi5 s LEU 130 Cb -0.04 -2.39 -0.14 0.00 0.50 0.00 0.00 46.19 44.12 1hi5 s LEU 130 CO 0.02 -0.96 1.26 -0.78 -1.32 0.00 0.00 176.35 174.57 1hi5 h ASP 131 N 9.05 0.59 -3.95 3.68 1.82 -1.59 -3.49 116.42 122.54 1hi5 h ASP 131 Ca -0.28 -0.49 0.15 0.00 -0.39 0.00 0.00 57.03 56.02 1hi5 h ASP 131 Cb 1.09 -0.18 -0.23 0.00 0.68 0.00 0.00 39.33 40.70 1hi5 h ASP 131 CO 1.01 1.30 0.69 -0.60 -1.61 0.00 0.00 179.24 180.02 1hi5 s ARG 132 N -3.20 0.44 -0.11 0.28 6.06 -1.04 -4.47 118.95 116.91 1hi5 s ARG 132 Ca -0.06 0.02 0.02 0.00 -2.50 0.00 0.00 55.73 53.22 1hi5 s ARG 132 Cb 0.08 0.21 -0.01 0.00 0.06 0.00 0.00 34.95 35.29 1hi5 s ARG 132 CO 0.88 -0.15 -0.19 0.96 -2.50 0.00 0.00 175.30 174.30 1hi5 s ILE 133 N -1.51 2.52 0.00 4.11 -4.36 -1.26 -0.25 121.20 120.45 1hi5 s ILE 133 Ca 0.03 -0.86 0.00 0.00 -0.26 0.00 0.00 60.65 59.56 1hi5 s ILE 133 Cb -0.01 -2.01 0.00 0.00 1.25 0.00 0.00 42.46 41.70 1hi5 s ILE 133 CO -0.03 0.55 0.05 2.30 0.24 0.00 0.00 174.94 178.05