#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hi3 s LYS 1 N 0.00 1.24 0.81 3.17 -2.85 -1.26 -4.86 119.74 116.00 1hi3 s LYS 1 Ca 0.00 -1.32 -0.13 0.00 -1.00 0.00 0.00 55.97 53.52 1hi3 s LYS 1 Cb 0.00 -1.44 0.08 0.00 -2.06 0.00 0.00 37.83 34.42 1hi3 s LYS 1 CO 0.00 0.31 1.19 -2.14 0.10 0.00 0.00 175.35 174.81 1hi3 s PRO 2 N -2.38 1.65 0.47 1.78 0.02 -1.26 -4.91 135.00 130.37 1hi3 s PRO 2 Ca 0.12 1.69 0.22 0.00 0.02 0.00 0.00 61.00 63.06 1hi3 s PRO 2 Cb -0.08 -1.78 1.16 0.00 0.02 0.00 0.00 34.50 33.81 1hi3 s PRO 2 CO 0.06 -2.19 1.97 -1.00 -0.33 0.00 0.00 177.00 175.51 1hi3 h PRO 3 N -0.97 0.00 0.00 5.54 0.13 -2.00 -3.06 132.00 131.64 1hi3 h PRO 3 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1hi3 h PRO 3 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1hi3 h PRO 3 CO 0.46 0.20 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 1hi3 n GLN 4 N -3.77 0.29 -4.48 0.86 0.00 -1.26 -4.77 117.38 104.25 1hi3 n GLN 4 Ca -0.02 0.10 -0.31 0.00 0.00 0.00 0.00 57.00 56.78 1hi3 n GLN 4 Cb 0.31 -1.50 -0.11 0.00 0.00 0.00 0.00 30.24 28.94 1hi3 n GLN 4 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1hi3 s PHE 5 N -2.51 2.73 0.67 2.61 2.99 -1.16 -5.09 117.98 118.22 1hi3 s PHE 5 Ca 0.18 -0.15 -0.05 0.00 0.00 0.00 0.00 56.93 56.91 1hi3 s PHE 5 Cb 0.12 -1.51 0.05 0.00 0.00 0.00 0.00 43.02 41.68 1hi3 s PHE 5 CO 0.27 0.34 0.97 0.95 -0.00 0.00 0.00 175.22 177.75 1hi3 s THR 6 N -1.02 2.41 0.25 0.64 -4.23 -1.26 -4.85 115.64 107.57 1hi3 s THR 6 Ca 0.17 -0.33 -0.05 0.00 -1.18 0.00 0.00 61.69 60.30 1hi3 s THR 6 Cb -0.11 -3.02 0.25 0.00 1.34 0.00 0.00 72.50 70.96 1hi3 s THR 6 CO 0.08 -0.02 1.91 -0.50 -0.54 0.00 0.00 174.62 175.55 1hi3 h TRP 7 N -0.46 1.22 -0.56 3.99 4.06 -1.94 -0.86 115.95 121.40 1hi3 h TRP 7 Ca -0.44 0.03 -0.09 0.00 2.06 0.00 0.00 58.89 60.45 1hi3 h TRP 7 Cb 1.31 -0.41 -0.02 0.00 -1.00 0.00 0.00 29.16 29.04 1hi3 h TRP 7 CO 0.35 0.72 -0.01 0.00 -3.56 0.00 0.00 178.44 175.93 1hi3 h ALA 8 N 1.39 0.75 -0.10 1.49 0.00 -1.87 0.13 119.26 121.05 1hi3 h ALA 8 Ca 0.38 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1hi3 h ALA 8 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1hi3 h ALA 8 CO -0.11 0.59 -0.25 1.96 0.00 0.00 0.00 179.25 181.45 1hi3 h GLN 9 N 0.88 0.18 -0.06 0.00 4.20 -1.72 -0.32 115.11 118.26 1hi3 h GLN 9 Ca 0.16 -0.06 -0.24 0.00 0.06 0.00 0.00 58.65 58.57 1hi3 h GLN 9 Cb 0.56 -0.02 0.02 0.00 0.30 0.00 0.00 27.48 28.34 1hi3 h GLN 9 CO 0.03 0.42 -0.89 2.35 -0.67 0.00 0.00 178.83 180.07 1hi3 h TRP 10 N 0.16 1.01 -0.59 2.96 -0.00 -0.82 -1.47 115.95 117.21 1hi3 h TRP 10 Ca 0.03 -0.51 0.05 0.00 -0.00 0.00 0.00 58.89 58.45 1hi3 h TRP 10 Cb 0.53 -0.13 -0.05 0.00 -0.00 0.00 0.00 29.16 29.52 1hi3 h TRP 10 CO 0.01 1.34 0.33 0.35 -0.00 0.00 0.00 178.44 180.47 1hi3 h PHE 11 N 0.40 0.60 -0.45 2.65 3.57 -0.35 0.25 116.94 123.61 1hi3 h PHE 11 Ca -0.10 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 1hi3 h PHE 11 Cb 1.54 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 40.08 1hi3 h PHE 11 CO 0.10 0.31 0.21 1.49 -2.23 0.00 0.00 178.31 178.19 1hi3 h GLU 12 N 0.63 0.66 -0.48 1.11 4.81 -1.00 0.29 114.58 120.58 1hi3 h GLU 12 Ca 0.26 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.30 1hi3 h GLU 12 Cb 0.13 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1hi3 h GLU 12 CO -0.15 0.57 -0.04 1.15 -0.73 0.00 0.00 179.01 179.81 1hi3 h THR 13 N 0.59 1.25 0.13 0.32 2.02 -0.65 -0.08 112.91 116.49 1hi3 h THR 13 Ca 0.15 -1.09 -0.31 0.00 0.77 0.00 0.00 66.41 65.93 1hi3 h THR 13 Cb 0.14 0.93 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1hi3 h THR 13 CO -0.02 0.38 -1.52 1.56 0.37 0.00 0.00 175.52 176.29 1hi3 h GLN 14 N 0.77 0.27 0.00 6.66 4.20 -0.28 -3.41 115.11 123.32 1hi3 h GLN 14 Ca 0.14 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1hi3 h GLN 14 Cb 0.52 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1hi3 h GLN 14 CO 0.03 1.15 0.00 0.72 -0.67 0.00 0.00 178.83 180.06 1hi3 n HIS 15 N -3.48 0.00 0.00 2.96 8.25 0.99 -4.59 115.22 119.35 1hi3 n HIS 15 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 1hi3 n HIS 15 Cb 1.05 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.16 1hi3 n HIS 15 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1hi3 n ILE 16 N -0.11 0.00 -2.37 1.59 2.08 -0.80 -0.65 119.36 119.10 1hi3 n ILE 16 Ca 0.00 0.00 -0.43 0.00 0.56 0.00 0.00 62.75 62.88 1hi3 n ILE 16 Cb 0.02 -1.10 0.00 0.00 -0.75 0.00 0.00 39.64 37.81 1hi3 n ILE 16 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1hi3 n ASN 17 N -2.77 4.78 -4.55 4.38 3.02 -0.11 -4.83 115.26 115.18 1hi3 n ASN 17 Ca 0.00 -2.97 -0.39 0.00 -0.03 0.00 0.00 54.58 51.18 1hi3 n ASN 17 Cb 0.39 -1.60 -0.03 0.00 -0.61 0.00 0.00 39.78 37.93 1hi3 n ASN 17 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1hi3 s MET 18 N 2.15 2.98 0.33 3.52 1.75 -1.26 -4.82 119.30 123.95 1hi3 s MET 18 Ca 0.45 0.00 0.22 0.00 -1.25 0.00 0.00 55.69 55.12 1hi3 s MET 18 Cb 0.07 -4.38 1.19 0.00 2.84 0.00 0.00 34.83 34.55 1hi3 s MET 18 CO -0.00 -2.43 1.68 0.25 -0.65 0.00 0.00 175.02 173.87 1hi3 n THR 19 N 6.79 1.00 -3.74 10.11 -2.24 -1.26 -4.55 114.28 120.39 1hi3 n THR 19 Ca 0.13 0.70 -0.13 0.00 -2.27 0.00 0.00 64.05 62.48 1hi3 n THR 19 Cb 0.50 -1.70 -0.09 0.00 -2.10 0.00 0.00 70.33 66.94 1hi3 n THR 19 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1hi3 s SER 20 N -4.08 -0.34 0.00 3.42 0.15 -1.26 -4.95 113.70 106.64 1hi3 s SER 20 Ca -0.02 0.53 0.17 0.00 0.70 0.00 0.00 55.95 57.33 1hi3 s SER 20 Cb 0.07 0.61 0.84 0.00 -1.71 0.00 0.00 66.02 65.82 1hi3 s SER 20 CO 0.22 -0.27 1.50 0.00 1.20 0.00 0.00 173.24 175.89 1hi3 n GLN 21 N 2.20 0.22 -3.63 5.44 6.02 -1.26 -4.45 117.38 121.92 1hi3 n GLN 21 Ca -0.16 0.14 -0.36 0.00 -0.01 0.00 0.00 57.00 56.60 1hi3 n GLN 21 Cb 0.57 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.25 1hi3 n GLN 21 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1hi3 s GLN 22 N -2.61 4.21 0.22 -1.09 2.00 -1.26 -5.01 119.66 116.11 1hi3 s GLN 22 Ca 0.15 -0.08 -0.09 0.00 -2.00 0.00 0.00 55.36 53.35 1hi3 s GLN 22 Cb 0.11 -3.44 0.18 0.00 0.80 0.00 0.00 33.01 30.66 1hi3 s GLN 22 CO 0.26 0.23 1.85 0.00 -0.50 0.00 0.00 175.29 177.14 1hi3 h THR 24 N 1.13 0.85 -0.11 0.00 2.02 -1.89 0.15 112.91 115.06 1hi3 h THR 24 Ca 0.29 -0.12 -0.07 0.00 0.77 0.00 0.00 66.41 67.28 1hi3 h THR 24 Cb -0.01 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1hi3 h THR 24 CO -0.05 0.07 -0.20 0.78 0.37 0.00 0.00 175.52 176.49 1hi3 h ASN 25 N 0.36 0.36 -0.92 4.18 2.35 -1.90 -3.09 115.58 116.92 1hi3 h ASN 25 Ca 0.23 -0.55 0.06 0.00 -0.55 0.00 0.00 56.30 55.48 1hi3 h ASN 25 Cb 0.23 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.44 1hi3 h ASN 25 CO -0.23 0.84 0.58 0.00 -1.65 0.00 0.00 177.43 176.98 1hi3 h ALA 26 N 0.52 1.25 0.00 -0.83 0.00 -1.11 -2.36 119.26 116.74 1hi3 h ALA 26 Ca 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1hi3 h ALA 26 Cb 0.78 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1hi3 h ALA 26 CO 0.04 0.37 -0.20 0.52 0.00 0.00 0.00 179.25 179.98 1hi3 h MET 27 N 1.07 0.00 -0.63 0.00 2.86 -0.73 -2.97 114.93 114.54 1hi3 h MET 27 Ca 0.39 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 58.11 1hi3 h MET 27 Cb 0.13 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 1hi3 h MET 27 CO -0.16 0.20 0.42 1.96 1.06 0.00 0.00 176.91 180.39 1hi3 h GLN 28 N 0.00 0.53 0.09 1.72 4.20 -1.33 0.58 115.11 120.90 1hi3 h GLN 28 Ca -0.00 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1hi3 h GLN 28 Cb 0.58 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1hi3 h GLN 28 CO 0.03 0.35 -0.04 0.28 -0.67 0.00 0.00 178.83 178.78 1hi3 h VAL 29 N 0.55 1.03 -0.21 -0.54 2.07 -1.64 0.11 116.25 117.61 1hi3 h VAL 29 Ca 0.28 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1hi3 h VAL 29 Cb 0.39 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1hi3 h VAL 29 CO -0.09 0.10 0.06 0.40 0.02 0.00 0.00 177.57 178.06 1hi3 h ILE 30 N -0.30 1.20 -0.75 4.57 2.04 -1.54 -2.57 117.51 120.17 1hi3 h ILE 30 Ca -0.01 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 1hi3 h ILE 30 Cb 0.26 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1hi3 h ILE 30 CO 0.02 0.21 0.39 0.78 0.00 0.00 0.00 178.15 179.55 1hi3 h ASN 31 N 0.17 0.95 0.70 1.72 2.35 -0.89 0.22 115.58 120.80 1hi3 h ASN 31 Ca 0.07 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 1hi3 h ASN 31 Cb 0.26 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1hi3 h ASN 31 CO 0.00 0.79 -0.20 0.78 -1.65 0.00 0.00 177.43 177.16 1hi3 h ASN 32 N 1.04 0.00 0.19 5.81 2.35 -0.74 0.25 115.58 124.48 1hi3 h ASN 32 Ca 0.26 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.67 1hi3 h ASN 32 Cb 0.07 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.45 1hi3 h ASN 32 CO -0.04 0.20 -1.67 1.88 -1.65 0.00 0.00 177.43 176.15 1hi3 h TYR 33 N 0.00 0.72 0.00 1.19 0.05 -0.93 -3.35 116.97 114.65 1hi3 h TYR 33 Ca -0.00 -0.53 0.00 0.00 0.05 0.00 0.00 58.73 58.25 1hi3 h TYR 33 Cb 0.60 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.32 1hi3 h TYR 33 CO 0.00 1.65 -0.16 1.96 -1.05 0.00 0.00 178.16 180.57 1hi3 h GLN 34 N 0.06 0.00 -4.06 4.88 4.20 -0.47 -3.41 115.11 116.30 1hi3 h GLN 34 Ca -0.33 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.09 1hi3 h GLN 34 Cb 2.06 0.00 0.08 0.00 0.30 0.00 0.00 27.48 29.92 1hi3 h GLN 34 CO 0.18 0.00 -0.47 0.54 -0.67 0.00 0.00 178.83 178.41 1hi3 n ARG 35 N -2.66 -4.94 -3.61 1.46 5.12 0.86 -4.99 116.66 107.91 1hi3 n ARG 35 Ca 0.04 0.62 -0.06 0.00 -1.93 0.00 0.00 57.85 56.52 1hi3 n ARG 35 Cb 0.49 -4.95 -0.04 0.00 -1.16 0.00 0.00 32.46 26.79 1hi3 n ARG 35 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1hi3 s ARG 36 N -5.73 0.34 -0.56 5.56 1.70 -1.10 -5.06 118.95 114.09 1hi3 s ARG 36 Ca 0.35 0.05 -0.24 0.00 -0.47 0.00 0.00 55.73 55.42 1hi3 s ARG 36 Cb -0.15 0.16 0.04 0.00 -0.57 0.00 0.00 34.95 34.43 1hi3 s ARG 36 CO 0.43 -0.11 0.94 0.00 -1.08 0.00 0.00 175.30 175.48 1hi3 n LYS 38 N 7.46 2.63 0.06 0.00 4.81 -1.26 -4.90 118.16 126.96 1hi3 n LYS 38 Ca 0.01 0.94 -0.06 0.00 -0.87 0.00 0.00 58.31 58.33 1hi3 n LYS 38 Cb 0.47 -2.74 0.11 0.00 0.02 0.00 0.00 35.03 32.89 1hi3 n LYS 38 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1hi3 h ASN 39 N 5.63 0.36 -3.62 3.14 -0.00 -1.94 -3.41 115.58 115.75 1hi3 h ASN 39 Ca -0.45 -0.20 -0.14 0.00 -0.00 0.00 0.00 56.30 55.51 1hi3 h ASN 39 Cb 1.22 -0.11 -0.26 0.00 -0.00 0.00 0.00 38.32 39.18 1hi3 h ASN 39 CO 0.86 0.86 -0.32 -1.58 -0.00 0.00 0.00 177.43 177.25 1hi3 s GLN 40 N -3.85 0.38 -0.23 6.67 0.74 -1.26 -1.36 119.66 120.75 1hi3 s GLN 40 Ca -0.05 0.58 -0.15 0.00 0.05 0.00 0.00 55.36 55.79 1hi3 s GLN 40 Cb 0.12 0.10 0.07 0.00 1.10 0.00 0.00 33.01 34.39 1hi3 s GLN 40 CO 0.81 -0.10 0.58 1.21 -0.55 0.00 0.00 175.29 177.24 1hi3 s ASN 41 N 0.67 -0.74 -0.16 6.67 2.47 -0.46 -5.01 114.94 118.38 1hi3 s ASN 41 Ca -0.04 1.25 -0.07 0.00 0.42 0.00 0.00 52.86 54.42 1hi3 s ASN 41 Cb -0.05 1.15 -0.04 0.00 -1.45 0.00 0.00 41.25 40.86 1hi3 s ASN 41 CO -0.04 -0.22 0.09 -0.89 -3.72 0.00 0.00 177.10 172.31 1hi3 s THR 42 N 1.29 5.03 -0.21 -5.21 2.01 -1.26 -0.32 115.64 116.96 1hi3 s THR 42 Ca -0.08 0.04 -0.04 0.00 0.31 0.00 0.00 61.69 61.93 1hi3 s THR 42 Cb -0.06 -3.24 -0.01 0.00 0.01 0.00 0.00 72.50 69.20 1hi3 s THR 42 CO -0.13 0.51 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.91 1hi3 s PHE 43 N -0.12 2.97 -0.08 4.92 0.08 0.04 -4.32 117.98 121.46 1hi3 s PHE 43 Ca 0.08 -0.80 -0.23 0.00 0.12 0.00 0.00 56.93 56.11 1hi3 s PHE 43 Cb -0.12 -2.09 -0.04 0.00 -0.57 0.00 0.00 43.02 40.21 1hi3 s PHE 43 CO 0.01 -0.45 0.67 -0.51 -0.10 0.00 0.00 175.22 174.83 1hi3 s LEU 44 N 1.30 4.30 -1.29 -0.37 1.43 0.18 -0.82 118.68 123.41 1hi3 s LEU 44 Ca 0.04 1.11 -0.13 0.00 -1.03 0.00 0.00 54.13 54.12 1hi3 s LEU 44 Cb -0.14 -3.02 0.13 0.00 0.03 0.00 0.00 46.19 43.19 1hi3 s LEU 44 CO -0.01 -0.11 1.75 0.18 0.23 0.00 0.00 176.35 178.38 1hi3 n LEU 45 N 3.87 5.85 -3.99 1.79 4.77 0.93 -4.64 117.00 125.59 1hi3 n LEU 45 Ca -0.02 -4.36 -0.10 0.00 -0.03 0.00 0.00 56.01 51.50 1hi3 n LEU 45 Cb 0.51 -1.61 -0.04 0.00 -2.33 0.00 0.00 43.42 39.95 1hi3 n LEU 45 CO 0.46 0.87 0.23 0.28 -1.33 0.00 0.00 177.39 177.90 1hi3 s THR 46 N 1.99 0.00 0.27 -5.08 -1.32 -1.26 -4.41 115.64 105.83 1hi3 s THR 46 Ca 0.45 -1.38 -0.02 0.00 -1.21 0.00 0.00 61.69 59.53 1hi3 s THR 46 Cb 0.05 -2.37 -0.04 0.00 -1.51 0.00 0.00 72.50 68.62 1hi3 s THR 46 CO 0.00 0.00 0.49 0.42 -2.21 0.00 0.00 174.62 173.33 1hi3 s THR 47 N -3.59 5.11 0.23 5.08 -4.23 -1.26 -4.95 115.64 112.03 1hi3 s THR 47 Ca 0.23 -0.22 -0.07 0.00 -1.18 0.00 0.00 61.69 60.45 1hi3 s THR 47 Cb -0.01 -3.76 0.22 0.00 1.34 0.00 0.00 72.50 70.28 1hi3 s THR 47 CO 0.12 -0.32 1.90 0.15 -0.54 0.00 0.00 174.62 175.93 1hi3 h PHE 48 N 1.59 1.12 -0.59 3.99 3.57 -1.98 -1.89 116.94 122.74 1hi3 h PHE 48 Ca -0.48 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 60.99 1hi3 h PHE 48 Cb 1.20 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 1hi3 h PHE 48 CO 0.55 0.68 0.16 0.00 -2.23 0.00 0.00 178.31 177.47 1hi3 h ALA 49 N 1.34 1.18 -0.25 2.41 0.00 -1.99 -1.05 119.26 120.90 1hi3 h ALA 49 Ca 0.34 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1hi3 h ALA 49 Cb -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1hi3 h ALA 49 CO -0.09 0.57 0.16 -0.91 0.00 0.00 0.00 179.25 178.98 1hi3 h ASN 50 N 0.86 0.28 -0.63 0.00 4.21 -1.76 -1.50 115.58 117.04 1hi3 h ASN 50 Ca 0.19 -0.01 -0.07 0.00 1.21 0.00 0.00 56.30 57.62 1hi3 h ASN 50 Cb 0.29 -0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 37.39 1hi3 h ASN 50 CO -0.00 0.20 0.11 0.58 -1.29 0.00 0.00 177.43 177.03 1hi3 h VAL 51 N 0.33 1.26 -0.83 2.81 2.07 -1.07 -1.76 116.25 119.06 1hi3 h VAL 51 Ca 0.09 -1.00 0.07 0.00 0.82 0.00 0.00 66.70 66.68 1hi3 h VAL 51 Cb -0.03 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.36 1hi3 h VAL 51 CO -0.02 0.37 0.50 0.58 0.02 0.00 0.00 177.57 179.02 1hi3 h VAL 52 N 0.95 0.99 -0.13 2.57 2.07 -0.95 0.66 116.25 122.41 1hi3 h VAL 52 Ca 0.19 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 1hi3 h VAL 52 Cb 0.42 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1hi3 h VAL 52 CO 0.01 0.16 -0.22 0.78 0.02 0.00 0.00 177.57 178.32 1hi3 h ASN 53 N 0.89 0.23 0.20 0.57 2.35 -0.75 -1.41 115.58 117.65 1hi3 h ASN 53 Ca 0.38 -0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 56.00 1hi3 h ASN 53 Cb 0.24 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1hi3 h ASN 53 CO -0.20 0.46 -0.26 0.58 -1.65 0.00 0.00 177.43 176.36 1hi3 h VAL 54 N 0.21 1.22 -0.02 2.81 2.07 -0.06 -0.01 116.25 122.48 1hi3 h VAL 54 Ca 0.04 -1.04 0.01 0.00 0.82 0.00 0.00 66.70 66.53 1hi3 h VAL 54 Cb 0.52 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1hi3 h VAL 54 CO 0.04 0.31 0.06 0.00 0.02 0.00 0.00 177.57 177.99 1hi3 n GLY 56 N -1.18 -1.03 3.79 0.00 0.00 -0.02 -4.87 105.19 101.88 1hi3 n GLY 56 Ca -0.02 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 1hi3 n GLY 56 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hi3 s ASN 57 N -2.47 3.92 0.36 1.61 0.01 0.14 -4.95 114.94 113.56 1hi3 s ASN 57 Ca 0.30 1.12 -0.27 0.00 -0.71 0.00 0.00 52.86 53.29 1hi3 s ASN 57 Cb 0.20 -1.76 -0.12 0.00 0.41 0.00 0.00 41.25 39.98 1hi3 s ASN 57 CO 0.47 -2.31 1.22 -2.65 -1.51 0.00 0.00 177.10 172.31 1hi3 n PRO 58 N -3.63 1.90 -2.09 -0.60 -0.02 -1.26 -4.92 135.00 124.38 1hi3 n PRO 58 Ca 0.07 0.67 -0.37 0.00 -2.02 0.00 0.00 63.50 61.84 1hi3 n PRO 58 Cb 0.58 -2.24 0.01 0.00 -0.02 0.00 0.00 33.50 31.83 1hi3 n PRO 58 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1hi3 s ASN 59 N -0.43 5.76 0.08 2.55 -0.87 -1.26 -4.48 114.94 116.28 1hi3 s ASN 59 Ca 0.58 2.44 -0.12 0.00 -1.57 0.00 0.00 52.86 54.18 1hi3 s ASN 59 Cb -0.57 -2.61 0.02 0.00 -0.02 0.00 0.00 41.25 38.06 1hi3 s ASN 59 CO 0.61 -1.21 0.28 0.00 -2.57 0.00 0.00 177.10 174.21 1hi3 s MET 60 N -2.88 0.87 0.29 -0.60 0.23 0.15 -4.99 119.30 112.38 1hi3 s MET 60 Ca 0.68 -0.70 -0.29 0.00 -1.03 0.00 0.00 55.69 54.34 1hi3 s MET 60 Cb -0.32 0.37 -0.10 0.00 -1.53 0.00 0.00 34.83 33.25 1hi3 s MET 60 CO 0.38 -0.29 1.39 0.99 -2.03 0.00 0.00 175.02 175.45 1hi3 s THR 61 N -3.26 2.67 -0.33 3.16 2.01 -1.26 -2.52 115.64 116.11 1hi3 s THR 61 Ca -0.00 0.60 -0.29 0.00 0.31 0.00 0.00 61.69 62.31 1hi3 s THR 61 Cb 0.02 -3.38 0.01 0.00 0.01 0.00 0.00 72.50 69.15 1hi3 s THR 61 CO -0.08 0.12 1.30 0.00 -0.69 0.00 0.00 174.62 175.27 1hi3 h PRO 63 N 9.47 0.00 0.00 0.00 0.13 -1.91 -1.96 132.00 137.74 1hi3 h PRO 63 Ca -0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 1hi3 h PRO 63 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1hi3 h PRO 63 CO 1.05 0.00 -0.70 0.77 -0.23 0.00 0.00 178.00 178.89 1hi3 h SER 64 N 0.00 0.00 -2.42 1.44 0.02 -1.91 -3.39 113.55 107.28 1hi3 h SER 64 Ca 0.06 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.43 1hi3 h SER 64 Cb 0.32 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 62.48 1hi3 h SER 64 CO -0.00 0.07 -0.92 0.21 -1.14 0.00 0.00 176.83 175.05 1hi3 s ASN 65 N -5.72 1.96 0.61 3.07 3.84 -0.78 -5.01 114.94 112.92 1hi3 s ASN 65 Ca 0.02 -2.69 0.26 0.00 0.21 0.00 0.00 52.86 50.66 1hi3 s ASN 65 Cb 0.08 -0.37 1.16 0.00 -0.55 0.00 0.00 41.25 41.56 1hi3 s ASN 65 CO 0.75 -0.22 1.59 0.07 -2.79 0.00 0.00 177.10 176.50 1hi3 h LYS 66 N 6.18 0.00 0.00 0.43 2.10 -1.66 0.86 116.57 124.48 1hi3 h LYS 66 Ca 0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.83 1hi3 h LYS 66 Cb 0.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1hi3 h LYS 66 CO 0.32 0.00 -0.14 0.25 -2.00 0.00 0.00 179.45 177.88 1hi3 n THR 67 N -3.33 0.02 -3.74 0.07 -2.24 -1.26 -4.75 114.28 99.05 1hi3 n THR 67 Ca 0.12 -0.01 -0.37 0.00 -2.27 0.00 0.00 64.05 61.52 1hi3 n THR 67 Cb 1.00 -0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.88 1hi3 n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1hi3 s ARG 68 N -3.00 3.64 -0.16 -0.78 1.81 0.30 -4.99 118.95 115.76 1hi3 s ARG 68 Ca 0.13 0.05 0.17 0.00 -1.72 0.00 0.00 55.73 54.36 1hi3 s ARG 68 Cb 0.18 -3.21 0.37 0.00 -0.45 0.00 0.00 34.95 31.84 1hi3 s ARG 68 CO 0.58 0.72 1.24 1.17 -0.68 0.00 0.00 175.30 178.33 1hi3 n LYS 69 N 2.02 1.72 -0.97 3.54 3.00 -1.26 -1.34 118.16 124.86 1hi3 n LYS 69 Ca -0.18 -2.74 -0.03 0.00 -0.00 0.00 0.00 58.31 55.36 1hi3 n LYS 69 Cb 0.54 -1.61 0.32 0.00 0.00 0.00 0.00 35.03 34.28 1hi3 n LYS 69 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1hi3 n ASN 70 N -1.18 4.90 -4.95 3.14 6.94 -1.26 -4.11 115.26 118.75 1hi3 n ASN 70 Ca 0.18 -3.19 -0.24 0.00 -0.02 0.00 0.00 54.58 51.32 1hi3 n ASN 70 Cb 0.72 -0.72 -0.02 0.00 -2.36 0.00 0.00 39.78 37.40 1hi3 n ASN 70 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hi3 s HIS 72 N -2.15 -0.10 -0.10 0.00 3.76 0.11 -0.67 115.29 116.14 1hi3 s HIS 72 Ca 0.38 0.27 -0.16 0.00 -0.15 0.00 0.00 55.06 55.40 1hi3 s HIS 72 Cb -0.10 -0.01 -0.05 0.00 1.11 0.00 0.00 32.58 33.54 1hi3 s HIS 72 CO 0.33 -0.07 0.39 -1.58 -0.85 0.00 0.00 174.74 172.96 1hi3 s HIS 73 N 0.33 3.55 0.56 1.40 2.46 -1.26 -0.91 115.29 121.42 1hi3 s HIS 73 Ca -0.02 0.81 0.25 0.00 0.47 0.00 0.00 55.06 56.56 1hi3 s HIS 73 Cb -0.04 -2.41 1.54 0.00 -0.13 0.00 0.00 32.58 31.55 1hi3 s HIS 73 CO -0.01 0.32 2.13 0.66 -2.47 0.00 0.00 174.74 175.36 1hi3 h SER 74 N 6.18 0.00 0.00 9.88 4.64 -1.12 -3.46 113.55 129.67 1hi3 h SER 74 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1hi3 h SER 74 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1hi3 h SER 74 CO 0.72 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 1hi3 n GLY 75 N -1.47 1.38 3.10 -0.77 0.00 -1.26 -4.87 105.19 101.30 1hi3 n GLY 75 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1hi3 n GLY 75 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hi3 s SER 76 N -2.68 -0.22 0.40 1.61 0.15 -1.26 -5.15 113.70 106.55 1hi3 s SER 76 Ca 0.00 0.41 -0.24 0.00 0.70 0.00 0.00 55.95 56.82 1hi3 s SER 76 Cb 0.00 0.43 -0.09 0.00 -1.71 0.00 0.00 66.02 64.65 1hi3 s SER 76 CO 0.00 -0.09 1.07 -1.10 1.20 0.00 0.00 173.24 174.32 1hi3 s GLN 77 N 0.04 4.13 0.11 5.44 -0.21 -1.26 -4.61 119.66 123.30 1hi3 s GLN 77 Ca -0.01 1.56 0.05 0.00 0.02 0.00 0.00 55.36 56.98 1hi3 s GLN 77 Cb -0.02 -2.55 -0.04 0.00 1.00 0.00 0.00 33.01 31.41 1hi3 s GLN 77 CO 0.00 -0.18 -0.13 0.14 -2.12 0.00 0.00 175.29 173.00 1hi3 s VAL 78 N -1.63 1.19 0.39 1.09 -7.23 0.49 -4.85 120.40 109.84 1hi3 s VAL 78 Ca 0.58 -1.67 -0.25 0.00 -1.81 0.00 0.00 61.98 58.83 1hi3 s VAL 78 Cb -0.23 -1.44 -0.09 0.00 0.56 0.00 0.00 36.38 35.18 1hi3 s VAL 78 CO 0.29 -0.45 1.10 -2.84 -0.31 0.00 0.00 175.10 172.88 1hi3 s PRO 79 N -2.65 4.17 0.16 4.82 0.02 -1.26 -1.98 135.00 138.27 1hi3 s PRO 79 Ca 0.07 1.66 -0.11 0.00 0.02 0.00 0.00 61.00 62.64 1hi3 s PRO 79 Cb -0.05 -2.66 0.00 0.00 0.02 0.00 0.00 34.50 31.82 1hi3 s PRO 79 CO 0.02 -0.17 0.33 -0.48 -0.33 0.00 0.00 177.00 176.37 1hi3 s LEU 80 N -2.46 0.81 -0.09 -5.54 0.05 -0.15 -0.05 118.68 111.25 1hi3 s LEU 80 Ca 0.56 -0.73 0.01 0.00 0.05 0.00 0.00 54.13 54.03 1hi3 s LEU 80 Cb -0.26 1.40 0.02 0.00 -2.05 0.00 0.00 46.19 45.30 1hi3 s LEU 80 CO 0.33 -0.90 -0.10 -0.63 -0.55 0.00 0.00 176.35 174.50 1hi3 s ILE 81 N -3.92 1.11 -0.23 1.48 1.01 0.00 -1.91 121.20 118.74 1hi3 s ILE 81 Ca 0.13 -0.40 -0.08 0.00 0.00 0.00 0.00 60.65 60.30 1hi3 s ILE 81 Cb 0.03 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 1hi3 s ILE 81 CO -0.03 0.37 0.09 -2.28 0.00 0.00 0.00 174.94 173.09 1hi3 s HIS 82 N 1.18 3.19 -0.16 3.97 2.46 -0.14 -0.78 115.29 125.01 1hi3 s HIS 82 Ca -0.05 -0.09 -0.10 0.00 0.47 0.00 0.00 55.06 55.29 1hi3 s HIS 82 Cb -0.14 -2.20 -0.05 0.00 -0.13 0.00 0.00 32.58 30.06 1hi3 s HIS 82 CO -0.03 -0.09 0.18 0.00 -2.47 0.00 0.00 174.74 172.33 1hi3 s ASN 84 N -0.09 2.24 -0.01 0.00 0.01 -0.99 -1.36 114.94 114.74 1hi3 s ASN 84 Ca 0.13 -0.39 -0.30 0.00 -0.71 0.00 0.00 52.86 51.59 1hi3 s ASN 84 Cb -0.12 -1.03 -0.06 0.00 0.41 0.00 0.00 41.25 40.45 1hi3 s ASN 84 CO 0.02 0.08 1.55 -0.22 -1.51 0.00 0.00 177.10 177.02 1hi3 s LEU 85 N 0.56 4.32 -0.04 0.60 2.96 -0.46 -0.56 118.68 126.06 1hi3 s LEU 85 Ca -0.16 2.23 0.12 0.00 -0.22 0.00 0.00 54.13 56.10 1hi3 s LEU 85 Cb -0.17 -3.55 -0.18 0.00 0.50 0.00 0.00 46.19 42.79 1hi3 s LEU 85 CO 0.05 -0.84 0.21 0.35 -1.32 0.00 0.00 176.35 174.80 1hi3 n THR 86 N 5.03 0.21 -3.50 3.68 -2.24 -0.23 -4.81 114.28 112.43 1hi3 n THR 86 Ca 0.15 -0.34 -0.27 0.00 -2.27 0.00 0.00 64.05 61.33 1hi3 n THR 86 Cb 0.43 -0.02 -0.10 0.00 -2.10 0.00 0.00 70.33 68.53 1hi3 n THR 86 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1hi3 n THR 87 N -2.07 0.09 -1.80 4.28 -1.04 -0.94 -4.96 114.28 107.84 1hi3 n THR 87 Ca -0.07 -4.14 -0.41 0.00 -2.04 0.00 0.00 64.05 57.39 1hi3 n THR 87 Cb 0.47 -1.91 -0.01 0.00 -1.82 0.00 0.00 70.33 67.07 1hi3 n THR 87 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1hi3 s PRO 88 N -0.88 4.12 -0.41 -2.82 0.04 -1.26 -3.35 135.00 130.44 1hi3 s PRO 88 Ca 0.32 2.57 0.08 0.00 0.04 0.00 0.00 61.00 64.01 1hi3 s PRO 88 Cb 0.05 -2.99 0.26 0.00 0.04 0.00 0.00 34.50 31.86 1hi3 s PRO 88 CO -0.15 -0.57 0.61 0.45 0.04 0.00 0.00 177.00 177.37 1hi3 n SER 89 N 1.18 -0.35 0.12 6.66 2.88 -1.26 -4.97 113.62 117.89 1hi3 n SER 89 Ca 0.04 -2.84 0.18 0.00 -1.33 0.00 0.00 58.87 54.92 1hi3 n SER 89 Cb 0.38 -0.17 0.58 0.00 -0.75 0.00 0.00 64.21 64.25 1hi3 n SER 89 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1hi3 h PRO 90 N 3.91 0.00 0.00 -1.46 0.11 -1.98 -1.20 132.00 131.37 1hi3 h PRO 90 Ca 0.03 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.83 1hi3 h PRO 90 Cb 0.92 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.97 1hi3 h PRO 90 CO 0.44 0.00 -2.10 0.00 -0.21 0.00 0.00 178.00 176.12 1hi3 n GLN 91 N -3.20 0.67 -3.26 1.05 0.00 -1.26 -4.73 117.38 106.64 1hi3 n GLN 91 Ca 0.07 0.08 -0.24 0.00 0.00 0.00 0.00 57.00 56.91 1hi3 n GLN 91 Cb 0.82 -1.62 -0.08 0.00 0.00 0.00 0.00 30.24 29.37 1hi3 n GLN 91 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1hi3 n ASN 92 N -2.80 -0.47 0.30 2.61 4.05 -0.49 -5.00 115.26 113.44 1hi3 n ASN 92 Ca -0.25 -2.55 0.13 0.00 0.45 0.00 0.00 54.58 52.37 1hi3 n ASN 92 Cb 1.06 -0.39 0.64 0.00 1.23 0.00 0.00 39.78 42.33 1hi3 n ASN 92 CO 0.00 0.00 0.00 0.16 -3.05 0.00 0.00 177.26 174.37 1hi3 h ILE 93 N 3.61 0.04 0.00 -1.44 3.07 -1.76 0.36 117.51 121.39 1hi3 h ILE 93 Ca 0.17 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.58 1hi3 h ILE 93 Cb 0.91 0.52 0.00 0.00 -0.27 0.00 0.00 36.82 37.98 1hi3 h ILE 93 CO 0.38 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 175.94 1hi3 n SER 94 N -2.91 0.00 -0.79 2.16 3.41 -1.26 -2.41 113.62 111.82 1hi3 n SER 94 Ca 0.00 0.28 0.13 0.00 -0.26 0.00 0.00 58.87 59.02 1hi3 n SER 94 Cb 0.56 -0.41 0.28 0.00 -0.26 0.00 0.00 64.21 64.37 1hi3 n SER 94 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1hi3 n ASN 95 N -1.41 2.45 -4.76 4.04 4.13 0.12 -4.95 115.26 114.89 1hi3 n ASN 95 Ca 0.07 -1.81 -0.40 0.00 1.68 0.00 0.00 54.58 54.11 1hi3 n ASN 95 Cb 0.20 -0.04 -0.05 0.00 -1.54 0.00 0.00 39.78 38.35 1hi3 n ASN 95 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1hi3 s ARG 97 N -1.35 1.41 0.13 0.00 0.52 -1.21 -4.95 118.95 113.50 1hi3 s ARG 97 Ca 0.44 -1.43 0.03 0.00 -0.52 0.00 0.00 55.73 54.25 1hi3 s ARG 97 Cb -0.30 -1.75 -0.04 0.00 0.52 0.00 0.00 34.95 33.38 1hi3 s ARG 97 CO 0.39 0.39 -0.06 0.71 0.02 0.00 0.00 175.30 176.74 1hi3 s TYR 98 N -1.50 1.09 0.28 -0.53 1.51 -1.26 -1.06 117.35 115.87 1hi3 s TYR 98 Ca 0.17 -0.89 0.07 0.00 -1.01 0.00 0.00 57.07 55.41 1hi3 s TYR 98 Cb -0.08 -0.60 -0.03 0.00 -0.11 0.00 0.00 41.96 41.14 1hi3 s TYR 98 CO 0.08 -0.09 0.30 0.00 -1.11 0.00 0.00 175.55 174.73 1hi3 s ALA 99 N -3.53 3.82 -0.06 3.71 0.00 0.28 -4.34 121.76 121.63 1hi3 s ALA 99 Ca 0.16 -1.45 0.04 0.00 0.00 0.00 0.00 51.96 50.71 1hi3 s ALA 99 Cb 0.05 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.76 1hi3 s ALA 99 CO -0.01 0.14 -0.18 1.14 0.00 0.00 0.00 175.76 176.85 1hi3 s GLN 100 N -3.96 2.03 -0.23 0.00 0.00 -1.26 -2.35 119.66 113.89 1hi3 s GLN 100 Ca 0.37 -0.63 0.00 0.00 -0.00 0.00 0.00 55.36 55.11 1hi3 s GLN 100 Cb -0.08 -1.69 0.06 0.00 0.00 0.00 0.00 33.01 31.31 1hi3 s GLN 100 CO 0.27 0.19 -0.03 0.99 0.00 0.00 0.00 175.29 176.71 1hi3 s THR 101 N 0.23 1.36 0.28 3.63 2.01 -0.24 -4.95 115.64 117.95 1hi3 s THR 101 Ca -0.09 -1.14 -0.28 0.00 0.31 0.00 0.00 61.69 60.49 1hi3 s THR 101 Cb -0.14 -1.69 -0.09 0.00 0.01 0.00 0.00 72.50 70.59 1hi3 s THR 101 CO 0.04 -0.15 0.93 -2.16 -0.69 0.00 0.00 174.62 172.60 1hi3 s PRO 102 N 1.47 4.72 0.27 4.92 0.04 -1.26 -0.96 135.00 144.20 1hi3 s PRO 102 Ca -0.04 1.40 -0.21 0.00 0.04 0.00 0.00 61.00 62.19 1hi3 s PRO 102 Cb -0.19 -3.06 0.02 0.00 0.04 0.00 0.00 34.50 31.32 1hi3 s PRO 102 CO -0.07 0.41 0.71 0.00 0.04 0.00 0.00 177.00 178.09 1hi3 s ALA 103 N -1.38 -1.20 -0.26 8.56 0.00 -0.80 -4.98 121.76 121.69 1hi3 s ALA 103 Ca 0.45 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.11 1hi3 s ALA 103 Cb -0.22 0.86 0.08 0.00 0.00 0.00 0.00 23.12 23.83 1hi3 s ALA 103 CO 0.28 -1.02 0.00 -0.80 0.00 0.00 0.00 175.76 174.22 1hi3 s ASN 104 N -2.92 3.95 0.27 0.00 -0.87 -1.26 -0.98 114.94 113.13 1hi3 s ASN 104 Ca 0.11 -1.40 -0.03 0.00 -1.57 0.00 0.00 52.86 49.96 1hi3 s ASN 104 Cb -0.06 -1.13 -0.02 0.00 -0.02 0.00 0.00 41.25 40.03 1hi3 s ASN 104 CO 0.06 -0.30 0.33 -0.04 -2.57 0.00 0.00 177.10 174.58 1hi3 s MET 105 N 1.41 1.54 0.56 -0.60 -1.94 -0.84 -4.83 119.30 114.60 1hi3 s MET 105 Ca 0.01 -1.61 -0.07 0.00 -1.71 0.00 0.00 55.69 52.31 1hi3 s MET 105 Cb -0.18 0.37 -0.02 0.00 2.01 0.00 0.00 34.83 37.01 1hi3 s MET 105 CO -0.11 -0.59 0.88 -0.06 -0.01 0.00 0.00 175.02 175.14 1hi3 s PHE 106 N -3.75 3.45 0.06 -0.03 0.08 -1.26 -0.38 117.98 116.15 1hi3 s PHE 106 Ca 0.33 0.84 0.03 0.00 0.12 0.00 0.00 56.93 58.25 1hi3 s PHE 106 Cb 0.03 -2.57 -0.03 0.00 -0.57 0.00 0.00 43.02 39.88 1hi3 s PHE 106 CO 0.15 -0.59 -0.10 1.52 -0.10 0.00 0.00 175.22 176.09 1hi3 s TYR 107 N -2.94 0.94 -0.17 0.36 1.13 -1.26 -1.45 117.35 113.96 1hi3 s TYR 107 Ca 0.52 -0.52 0.01 0.00 -1.41 0.00 0.00 57.07 55.66 1hi3 s TYR 107 Cb -0.11 -0.54 0.02 0.00 -1.10 0.00 0.00 41.96 40.24 1hi3 s TYR 107 CO 0.47 -0.02 -0.18 0.42 -2.51 0.00 0.00 175.55 173.73 1hi3 s ILE 108 N -1.58 1.89 -0.02 -3.49 1.01 0.11 -0.47 121.20 118.65 1hi3 s ILE 108 Ca -0.04 -0.84 0.07 0.00 0.00 0.00 0.00 60.65 59.84 1hi3 s ILE 108 Cb -0.08 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.64 1hi3 s ILE 108 CO 0.01 0.51 -0.22 0.68 0.00 0.00 0.00 174.94 175.92 1hi3 s VAL 109 N 1.33 2.41 -0.01 2.92 -7.23 -0.09 -1.22 120.40 118.52 1hi3 s VAL 109 Ca 0.04 -1.01 -0.21 0.00 -1.81 0.00 0.00 61.98 58.99 1hi3 s VAL 109 Cb -0.13 -1.89 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 1hi3 s VAL 109 CO -0.12 0.56 0.62 0.00 -0.31 0.00 0.00 175.10 175.85 1hi3 s ALA 110 N -0.68 3.46 0.12 1.32 0.00 -0.34 0.07 121.76 125.70 1hi3 s ALA 110 Ca 0.11 0.07 0.07 0.00 0.00 0.00 0.00 51.96 52.20 1hi3 s ALA 110 Cb -0.10 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1hi3 s ALA 110 CO 0.00 0.12 -0.16 0.00 0.00 0.00 0.00 175.76 175.72 1hi3 s ASP 112 N -2.29 0.07 0.49 0.00 -1.08 -0.07 -4.84 116.67 108.96 1hi3 s ASP 112 Ca 0.08 -1.13 -0.22 0.00 -0.52 0.00 0.00 52.55 50.76 1hi3 s ASP 112 Cb -0.07 0.53 -0.07 0.00 -1.46 0.00 0.00 42.92 41.85 1hi3 s ASP 112 CO 0.04 -1.06 1.21 0.20 0.52 0.00 0.00 175.17 176.08 1hi3 s ASN 113 N -3.08 5.91 0.94 -0.34 0.01 -1.26 -0.93 114.94 116.19 1hi3 s ASN 113 Ca 0.29 2.41 -0.11 0.00 -0.71 0.00 0.00 52.86 54.74 1hi3 s ASN 113 Cb 0.02 -2.61 0.16 0.00 0.41 0.00 0.00 41.25 39.23 1hi3 s ASN 113 CO 0.11 -1.10 1.12 0.00 -1.51 0.00 0.00 177.10 175.71 1hi3 s ARG 114 N -2.79 0.83 -0.43 -0.60 1.70 -0.08 -4.80 118.95 112.78 1hi3 s ARG 114 Ca 0.66 1.34 -0.28 0.00 -0.47 0.00 0.00 55.73 56.98 1hi3 s ARG 114 Cb -0.31 -1.72 -0.00 0.00 -0.57 0.00 0.00 34.95 32.34 1hi3 s ARG 114 CO 0.37 -2.69 1.60 0.34 -1.08 0.00 0.00 175.30 173.84 1hi3 s ASP 115 N -2.78 6.02 0.25 -2.89 -1.08 -1.26 -4.90 116.67 110.03 1hi3 s ASP 115 Ca 0.66 0.84 -0.09 0.00 -0.52 0.00 0.00 52.55 53.44 1hi3 s ASP 115 Cb -0.22 -2.53 0.40 0.00 -1.46 0.00 0.00 42.92 39.10 1hi3 s ASP 115 CO 0.59 -1.69 1.61 1.56 0.52 0.00 0.00 175.17 177.76 1hi3 h GLN 116 N 12.03 0.03 0.13 4.34 1.08 -1.90 0.17 115.11 130.99 1hi3 h GLN 116 Ca -0.29 -0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.62 1hi3 h GLN 116 Cb 1.13 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.56 1hi3 h GLN 116 CO 1.10 0.02 -1.35 0.00 -0.95 0.00 0.00 178.83 177.66 1hi3 h ARG 117 N 0.04 0.28 0.00 1.46 3.08 -2.03 -3.41 114.38 113.80 1hi3 h ARG 117 Ca 0.41 -0.48 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1hi3 h ARG 117 Cb 0.68 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 1hi3 h ARG 117 CO -0.77 1.20 -1.64 0.54 -1.07 0.00 0.00 179.97 178.24 1hi3 n ARG 118 N -3.52 0.61 -2.99 0.04 1.74 -1.10 -4.99 116.66 106.46 1hi3 n ARG 118 Ca -0.11 -0.11 -0.36 0.00 -0.77 0.00 0.00 57.85 56.51 1hi3 n ARG 118 Cb 1.04 -1.31 -0.06 0.00 -1.02 0.00 0.00 32.46 31.10 1hi3 n ARG 118 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1hi3 s ASP 119 N -3.65 7.09 0.30 0.55 1.01 0.03 -5.02 116.67 116.98 1hi3 s ASP 119 Ca -0.05 1.54 -0.29 0.00 0.71 0.00 0.00 52.55 54.46 1hi3 s ASP 119 Cb 0.08 -2.47 -0.10 0.00 1.01 0.00 0.00 42.92 41.44 1hi3 s ASP 119 CO 0.54 -0.06 1.40 -2.84 0.21 0.00 0.00 175.17 174.42 1hi3 s PRO 120 N -2.23 4.28 0.39 8.23 0.02 -1.26 -4.84 135.00 139.58 1hi3 s PRO 120 Ca 0.48 2.31 0.27 0.00 0.02 0.00 0.00 61.00 64.08 1hi3 s PRO 120 Cb -0.16 -3.08 1.39 0.00 0.02 0.00 0.00 34.50 32.68 1hi3 s PRO 120 CO 0.21 -0.35 1.81 -1.00 -0.33 0.00 0.00 177.00 177.33 1hi3 h PRO 121 N 4.17 0.00 -0.69 5.54 0.13 -1.95 -2.99 132.00 136.21 1hi3 h PRO 121 Ca -0.48 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.76 1hi3 h PRO 121 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 1hi3 h PRO 121 CO 0.71 0.00 0.46 0.37 -0.23 0.00 0.00 178.00 179.31 1hi3 h GLN 122 N 0.00 0.49 -3.76 0.86 4.15 -2.03 -3.34 115.11 111.48 1hi3 h GLN 122 Ca 0.00 -0.03 -0.65 0.00 0.77 0.00 0.00 58.65 58.74 1hi3 h GLN 122 Cb 0.06 -0.11 -0.41 0.00 0.21 0.00 0.00 27.48 27.24 1hi3 h GLN 122 CO 0.00 0.33 -0.65 0.71 -1.93 0.00 0.00 178.83 177.29 1hi3 s TYR 123 N -5.48 3.36 0.49 3.99 2.02 -1.13 -4.96 117.35 115.64 1hi3 s TYR 123 Ca -0.08 -3.11 0.14 0.00 -0.37 0.00 0.00 57.07 53.64 1hi3 s TYR 123 Cb 0.20 -2.86 1.17 0.00 -0.40 0.00 0.00 41.96 40.06 1hi3 s TYR 123 CO 0.76 -0.80 2.12 -1.00 -1.57 0.00 0.00 175.55 175.05 1hi3 h PRO 124 N 6.83 0.10 -5.81 -1.71 0.13 -1.83 -3.41 132.00 126.30 1hi3 h PRO 124 Ca -0.07 -0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 64.37 1hi3 h PRO 124 Cb 0.93 -0.02 -0.30 0.00 0.13 0.00 0.00 31.00 31.74 1hi3 h PRO 124 CO 0.64 0.09 -0.85 0.08 -0.23 0.00 0.00 178.00 177.72 1hi3 s VAL 125 N -5.10 2.31 0.04 1.56 1.01 -1.26 -0.90 120.40 118.05 1hi3 s VAL 125 Ca -0.05 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 60.96 1hi3 s VAL 125 Cb 0.17 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 1hi3 s VAL 125 CO 0.68 0.56 -0.04 0.68 0.00 0.00 0.00 175.10 176.99 1hi3 s VAL 126 N -0.05 0.23 0.28 2.92 -7.23 -0.10 -4.91 120.40 111.53 1hi3 s VAL 126 Ca -0.06 -1.31 -0.29 0.00 -1.81 0.00 0.00 61.98 58.50 1hi3 s VAL 126 Cb -0.15 -0.84 -0.10 0.00 0.56 0.00 0.00 36.38 35.86 1hi3 s VAL 126 CO 0.05 -0.69 1.10 -2.16 -0.31 0.00 0.00 175.10 173.08 1hi3 s PRO 127 N -2.51 4.64 0.00 4.82 0.04 -1.26 -0.90 135.00 139.84 1hi3 s PRO 127 Ca -0.05 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1hi3 s PRO 127 Cb -0.03 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1hi3 s PRO 127 CO -0.04 0.21 0.00 1.33 0.04 0.00 0.00 177.00 178.54 1hi3 n VAL 128 N 1.22 0.00 -3.66 -0.36 0.24 0.35 -4.01 118.33 112.10 1hi3 n VAL 128 Ca -0.01 -0.23 -0.14 0.00 -2.04 0.00 0.00 64.34 61.92 1hi3 n VAL 128 Cb 0.45 0.76 -0.08 0.00 -1.47 0.00 0.00 33.84 33.50 1hi3 n VAL 128 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1hi3 s HIS 129 N -0.99 -0.61 -0.60 6.34 3.76 -1.16 -4.68 115.29 117.34 1hi3 s HIS 129 Ca 0.00 1.42 -0.18 0.00 -0.15 0.00 0.00 55.06 56.16 1hi3 s HIS 129 Cb 0.00 0.24 0.12 0.00 1.11 0.00 0.00 32.58 34.04 1hi3 s HIS 129 CO 0.00 -0.35 0.66 -1.17 -0.85 0.00 0.00 174.74 173.03 1hi3 s LEU 130 N -0.00 5.67 0.22 0.89 2.96 -1.26 -1.20 118.68 125.95 1hi3 s LEU 130 Ca -0.02 -1.61 0.03 0.00 -0.22 0.00 0.00 54.13 52.31 1hi3 s LEU 130 Cb -0.04 -2.28 0.19 0.00 0.50 0.00 0.00 46.19 44.57 1hi3 s LEU 130 CO 0.02 -1.02 1.52 -0.78 -1.32 0.00 0.00 176.35 174.77 1hi3 h ASP 131 N 9.03 0.29 -4.06 3.68 1.82 -1.51 -3.48 116.42 122.18 1hi3 h ASP 131 Ca -0.26 -0.18 0.21 0.00 -0.39 0.00 0.00 57.03 56.41 1hi3 h ASP 131 Cb 1.09 -0.09 -0.21 0.00 0.68 0.00 0.00 39.33 40.80 1hi3 h ASP 131 CO 1.07 0.87 0.76 -0.60 -1.61 0.00 0.00 179.24 179.73 1hi3 s ARG 132 N -3.66 0.36 -0.09 0.28 3.52 -1.05 -4.48 118.95 113.82 1hi3 s ARG 132 Ca -0.04 -0.07 0.03 0.00 -0.13 0.00 0.00 55.73 55.52 1hi3 s ARG 132 Cb 0.11 0.17 0.01 0.00 -1.56 0.00 0.00 34.95 33.68 1hi3 s ARG 132 CO 0.81 -0.14 -0.17 0.96 -0.81 0.00 0.00 175.30 175.94 1hi3 s ILE 133 N -2.04 1.58 0.00 4.11 -4.36 -1.26 0.06 121.20 119.29 1hi3 s ILE 133 Ca 0.07 -0.72 0.00 0.00 -0.26 0.00 0.00 60.65 59.74 1hi3 s ILE 133 Cb -0.01 -1.41 0.00 0.00 1.25 0.00 0.00 42.46 42.29 1hi3 s ILE 133 CO -0.05 0.45 0.23 -0.38 0.24 0.00 0.00 174.94 175.44