#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hw5 s LEU -2 N 0.00 3.69 0.00 1.53 1.02 -1.26 -4.07 118.68 119.59 3hw5 s LEU -2 Ca 0.00 -0.26 -0.02 0.00 0.02 0.00 0.00 54.13 53.87 3hw5 s LEU -2 Cb 0.00 -1.97 0.04 0.00 0.02 0.00 0.00 46.19 44.28 3hw5 s LEU -2 CO 0.00 -0.08 0.23 0.61 0.02 0.00 0.00 176.35 177.13 3hw5 n GLY -1 N 4.96 -0.52 3.60 -3.19 0.00 0.30 -5.03 105.19 105.30 3hw5 n GLY -1 Ca -0.15 -1.78 -0.36 0.00 0.00 0.00 0.00 46.02 43.73 3hw5 n GLY -1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hw5 s SER 0 N -1.87 5.67 0.20 1.61 0.15 -1.26 -4.94 113.70 113.27 3hw5 s SER 0 Ca 0.14 0.02 -0.07 0.00 0.70 0.00 0.00 55.95 56.73 3hw5 s SER 0 Cb -0.00 -2.00 0.14 0.00 -1.71 0.00 0.00 66.02 62.44 3hw5 s SER 0 CO 0.09 0.09 1.69 -0.03 1.20 0.00 0.00 173.24 176.28 3hw5 h MET 1 N 7.35 1.03 -0.29 5.44 4.05 -1.96 -2.18 114.93 128.37 3hw5 h MET 1 Ca -0.37 -0.30 0.07 0.00 -0.28 0.00 0.00 59.70 58.81 3hw5 h MET 1 Cb 1.17 -0.11 -0.07 0.00 -0.80 0.00 0.00 31.60 31.79 3hw5 h MET 1 CO 0.65 0.99 -0.16 1.49 0.23 0.00 0.00 176.91 180.11 3hw5 h GLU 2 N 0.96 -0.12 -0.35 0.39 4.81 -1.88 -0.99 114.58 117.39 3hw5 h GLU 2 Ca 0.18 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 3hw5 h GLU 2 Cb 0.50 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 3hw5 h GLU 2 CO 0.02 -0.08 0.14 -0.44 -0.73 0.00 0.00 179.01 177.92 3hw5 h ASP 3 N -0.13 0.45 -0.22 1.04 3.32 -1.89 -2.23 116.42 116.76 3hw5 h ASP 3 Ca 0.15 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 3hw5 h ASP 3 Cb 0.36 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3hw5 h ASP 3 CO -0.36 0.41 0.13 0.15 -1.72 0.00 0.00 179.24 177.84 3hw5 h PHE 4 N 0.50 0.30 -0.30 4.55 3.57 -0.88 -1.82 116.94 122.87 3hw5 h PHE 4 Ca 0.12 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.66 3hw5 h PHE 4 Cb 0.11 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 3hw5 h PHE 4 CO 0.00 0.26 0.06 0.28 -2.23 0.00 0.00 178.31 176.68 3hw5 h VAL 5 N 0.26 0.86 0.00 1.41 2.07 -0.89 0.76 116.25 120.73 3hw5 h VAL 5 Ca 0.08 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.54 3hw5 h VAL 5 Cb 0.05 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3hw5 h VAL 5 CO -0.01 0.03 0.00 0.03 0.02 0.00 0.00 177.57 177.64 3hw5 h ARG 6 N 0.17 0.00 0.00 1.57 3.08 -1.24 -2.63 114.38 115.33 3hw5 h ARG 6 Ca 0.14 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.98 3hw5 h ARG 6 Cb 0.15 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 3hw5 h ARG 6 CO -0.18 0.00 -1.85 1.04 -1.07 0.00 0.00 179.97 177.90 3hw5 n GLN 7 N -2.90 0.65 0.00 0.04 6.02 -0.70 -4.58 117.38 115.91 3hw5 n GLN 7 Ca 0.02 0.08 0.03 0.00 -0.01 0.00 0.00 57.00 57.12 3hw5 n GLN 7 Cb 0.36 -1.66 -0.02 0.00 1.02 0.00 0.00 30.24 29.94 3hw5 n GLN 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hw5 s PHE 9 N -1.28 2.96 0.20 0.00 0.40 -1.00 -5.07 117.98 114.19 3hw5 s PHE 9 Ca 0.04 0.03 -0.30 0.00 -0.60 0.00 0.00 56.93 56.10 3hw5 s PHE 9 Cb 0.05 -1.68 -0.16 0.00 0.51 0.00 0.00 43.02 41.74 3hw5 s PHE 9 CO 0.20 0.38 0.78 -1.71 0.70 0.00 0.00 175.22 175.57 3hw5 n ASN 10 N 1.85 -0.16 0.25 1.36 5.15 -1.26 -4.74 115.26 117.71 3hw5 n ASN 10 Ca -0.17 1.15 0.11 0.00 -0.60 0.00 0.00 54.58 55.07 3hw5 n ASN 10 Cb 0.53 -1.07 0.63 0.00 -0.53 0.00 0.00 39.78 39.34 3hw5 n ASN 10 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3hw5 h PRO 11 N 1.75 0.00 -0.45 1.20 0.13 -1.96 -1.71 132.00 130.96 3hw5 h PRO 11 Ca -0.35 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.75 3hw5 h PRO 11 Cb 1.40 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.51 3hw5 h PRO 11 CO 0.60 0.17 0.16 1.98 -0.23 0.00 0.00 178.00 180.68 3hw5 h MET 12 N 0.00 0.68 -0.25 0.86 -1.53 -1.99 0.39 114.93 113.10 3hw5 h MET 12 Ca -0.00 -0.14 -0.02 0.00 -3.44 0.00 0.00 59.70 56.11 3hw5 h MET 12 Cb 0.46 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.40 3hw5 h MET 12 CO 0.02 0.64 0.09 0.82 0.14 0.00 0.00 176.91 178.63 3hw5 h ILE 13 N 0.58 1.18 -0.36 1.77 2.04 -1.79 -1.68 117.51 119.25 3hw5 h ILE 13 Ca 0.15 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 3hw5 h ILE 13 Cb 0.23 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3hw5 h ILE 13 CO -0.01 0.18 0.21 0.58 0.00 0.00 0.00 178.15 179.12 3hw5 h VAL 14 N 0.24 1.12 -0.63 1.67 2.07 -1.08 -0.13 116.25 119.51 3hw5 h VAL 14 Ca 0.08 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.34 3hw5 h VAL 14 Cb 0.20 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 3hw5 h VAL 14 CO -0.01 0.12 0.40 -0.08 0.02 0.00 0.00 177.57 178.02 3hw5 h GLU 15 N 0.46 0.77 -0.73 1.57 4.22 -0.84 0.62 114.58 120.65 3hw5 h GLU 15 Ca 0.13 -0.05 0.02 0.00 0.08 0.00 0.00 59.36 59.55 3hw5 h GLU 15 Cb 0.01 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 3hw5 h GLU 15 CO -0.02 0.51 0.47 -0.07 -2.18 0.00 0.00 179.01 177.71 3hw5 h LEU 16 N 0.79 0.78 -0.72 1.64 3.38 -0.94 -0.27 115.31 119.97 3hw5 h LEU 16 Ca 0.25 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 3hw5 h LEU 16 Cb -0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3hw5 h LEU 16 CO -0.09 0.55 0.26 0.00 0.09 0.00 0.00 178.44 179.25 3hw5 h ALA 17 N 1.30 0.94 -0.47 1.53 0.00 -0.71 -0.75 119.26 121.10 3hw5 h ALA 17 Ca 0.29 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3hw5 h ALA 17 Cb -0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3hw5 h ALA 17 CO -0.10 0.59 -0.02 0.93 0.00 0.00 0.00 179.25 180.66 3hw5 h GLU 18 N 1.05 0.84 -0.36 0.00 5.08 -0.49 -1.77 114.58 118.93 3hw5 h GLU 18 Ca 0.24 -0.28 0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3hw5 h GLU 18 Cb 0.26 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 3hw5 h GLU 18 CO -0.01 0.90 0.04 0.87 -1.00 0.00 0.00 179.01 179.81 3hw5 h LYS 19 N 0.69 0.15 -0.32 2.33 1.79 -0.98 -0.86 116.57 119.36 3hw5 h LYS 19 Ca 0.13 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.57 3hw5 h LYS 19 Cb 0.54 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 3hw5 h LYS 19 CO 0.03 0.10 0.10 0.00 -1.08 0.00 0.00 179.45 178.60 3hw5 h ALA 20 N 1.28 1.58 0.04 3.86 0.00 -0.86 -2.39 119.26 122.78 3hw5 h ALA 20 Ca 0.17 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.73 3hw5 h ALA 20 Cb 0.21 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.89 3hw5 h ALA 20 CO -0.25 0.33 -0.94 0.52 0.00 0.00 0.00 179.25 178.90 3hw5 h MET 21 N 0.46 0.56 -0.50 0.00 2.86 -0.63 -3.23 114.93 114.44 3hw5 h MET 21 Ca 0.11 -0.66 -0.06 0.00 -2.06 0.00 0.00 59.70 57.03 3hw5 h MET 21 Cb 0.14 0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 3hw5 h MET 21 CO -0.01 1.27 0.09 0.87 1.06 0.00 0.00 176.91 180.19 3hw5 h LYS 22 N 0.14 0.82 -1.05 1.72 1.57 -1.15 0.03 116.57 118.67 3hw5 h LYS 22 Ca -0.13 -0.22 0.29 0.00 -1.87 0.00 0.00 60.65 58.73 3hw5 h LYS 22 Cb 1.63 -0.10 -0.12 0.00 0.08 0.00 0.00 32.23 33.72 3hw5 h LYS 22 CO 0.18 0.81 0.63 1.49 -0.57 0.00 0.00 179.45 182.00 3hw5 h GLU 23 N 0.70 0.40 -0.63 3.15 4.81 -1.51 -1.36 114.58 120.14 3hw5 h GLU 23 Ca 0.15 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3hw5 h GLU 23 Cb 0.38 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3hw5 h GLU 23 CO 0.01 0.26 0.00 0.66 -0.73 0.00 0.00 179.01 179.21 3hw5 n TYR 24 N -4.84 1.72 -1.33 0.92 4.02 -0.62 -4.95 117.16 112.09 3hw5 n TYR 24 Ca 0.29 -0.64 -0.11 0.00 -0.01 0.00 0.00 57.90 57.42 3hw5 n TYR 24 Cb 0.92 -0.35 -0.05 0.00 -0.02 0.00 0.00 39.34 39.84 3hw5 n TYR 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hw5 n GLY 25 N 0.94 1.23 3.81 2.72 0.00 -0.51 -5.01 105.19 108.37 3hw5 n GLY 25 Ca 0.26 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 3hw5 n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hw5 s GLU 26 N -2.87 3.91 -0.22 1.61 2.02 -0.10 -4.99 118.70 118.06 3hw5 s GLU 26 Ca 0.00 0.17 -0.16 0.00 0.02 0.00 0.00 54.97 55.00 3hw5 s GLU 26 Cb 0.00 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 3hw5 s GLU 26 CO 0.00 0.56 0.43 0.34 0.02 0.00 0.00 175.26 176.61 3hw5 s ASP 27 N -0.55 6.43 0.56 -0.19 3.68 -1.26 -3.54 116.67 121.80 3hw5 s ASP 27 Ca 0.19 0.51 0.26 0.00 2.13 0.00 0.00 52.55 55.64 3hw5 s ASP 27 Cb -0.14 -2.24 1.48 0.00 -1.45 0.00 0.00 42.92 40.56 3hw5 s ASP 27 CO 0.08 -0.13 2.04 -0.65 0.13 0.00 0.00 175.17 176.63 3hw5 h PRO 28 N 7.56 0.00 0.00 4.34 0.11 -1.92 0.39 132.00 142.47 3hw5 h PRO 28 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3hw5 h PRO 28 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3hw5 h PRO 28 CO 0.71 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 179.37 3hw5 h LYS 29 N 0.00 0.00 0.00 1.05 1.57 -1.99 -3.36 116.57 113.84 3hw5 h LYS 29 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3hw5 h LYS 29 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3hw5 h LYS 29 CO -0.00 0.00 -0.49 -0.89 -0.57 0.00 0.00 179.45 177.50 3hw5 n ILE 30 N -2.94 1.07 -1.83 1.86 5.41 -0.66 -4.70 119.36 117.56 3hw5 n ILE 30 Ca 0.02 0.26 -0.41 0.00 1.00 0.00 0.00 62.75 63.62 3hw5 n ILE 30 Cb 0.39 -1.90 -0.01 0.00 -0.71 0.00 0.00 39.64 37.41 3hw5 n ILE 30 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3hw5 n GLU 31 N -3.73 3.48 0.07 0.38 -0.58 0.04 -4.73 120.64 115.57 3hw5 n GLU 31 Ca -0.07 -2.87 -0.13 0.00 -0.42 0.00 0.00 57.16 53.68 3hw5 n GLU 31 Cb 0.25 -3.00 -0.03 0.00 -0.57 0.00 0.00 31.44 28.09 3hw5 n GLU 31 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3hw5 h THR 32 N 3.52 1.41 -0.78 2.62 1.35 -1.81 -1.58 112.91 117.64 3hw5 h THR 32 Ca 0.61 -2.43 0.03 0.00 -0.55 0.00 0.00 66.41 64.07 3hw5 h THR 32 Cb 0.51 2.39 -0.05 0.00 -1.73 0.00 0.00 68.15 69.27 3hw5 h THR 32 CO 1.74 0.72 0.50 0.78 -0.25 0.00 0.00 175.52 179.02 3hw5 h ASN 33 N 0.22 0.83 -0.68 5.36 2.35 -1.92 -0.95 115.58 120.78 3hw5 h ASN 33 Ca -0.07 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3hw5 h ASN 33 Cb 1.54 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.69 3hw5 h ASN 33 CO 0.16 0.57 0.43 0.50 -1.65 0.00 0.00 177.43 177.44 3hw5 h LYS 34 N 0.98 0.91 -0.55 0.81 3.64 -1.92 -1.29 116.57 119.15 3hw5 h LYS 34 Ca 0.31 -0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.69 3hw5 h LYS 34 Cb -0.00 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 31.56 3hw5 h LYS 34 CO -0.11 0.63 0.22 0.35 -2.27 0.00 0.00 179.45 178.27 3hw5 h PHE 35 N 0.93 0.39 -0.28 1.91 -0.00 -0.88 0.67 116.94 119.68 3hw5 h PHE 35 Ca 0.25 0.03 -0.03 0.00 -0.00 0.00 0.00 57.97 58.22 3hw5 h PHE 35 Cb -0.06 -0.09 -0.01 0.00 -0.00 0.00 0.00 35.95 35.78 3hw5 h PHE 35 CO -0.02 0.13 0.08 0.00 -0.00 0.00 0.00 178.31 178.50 3hw5 h ALA 36 N 1.36 0.37 -0.48 2.41 0.00 -0.92 -1.41 119.26 120.58 3hw5 h ALA 36 Ca 0.26 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3hw5 h ALA 36 Cb 0.28 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3hw5 h ALA 36 CO -0.25 0.02 0.27 0.00 0.00 0.00 0.00 179.25 179.29 3hw5 h ALA 37 N 0.91 0.62 0.10 0.00 0.00 -0.85 0.67 119.26 120.71 3hw5 h ALA 37 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hw5 h ALA 37 Cb 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3hw5 h ALA 37 CO -0.00 -0.06 -0.15 0.82 0.00 0.00 0.00 179.25 179.87 3hw5 h ILE 38 N 0.53 0.66 -0.45 0.00 2.04 -0.69 0.67 117.51 120.28 3hw5 h ILE 38 Ca 0.20 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.14 3hw5 h ILE 38 Cb 0.06 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 36.74 3hw5 h ILE 38 CO -0.11 0.00 0.04 0.00 0.00 0.00 0.00 178.15 178.08 3hw5 h THR 40 N 0.16 0.94 -0.75 0.00 2.02 -0.56 0.32 112.91 115.04 3hw5 h THR 40 Ca 0.22 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 67.25 3hw5 h THR 40 Cb 0.31 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 3hw5 h THR 40 CO -0.33 0.05 0.25 -0.74 0.37 0.00 0.00 175.52 175.12 3hw5 h HIS 41 N 0.27 1.17 -0.35 3.16 6.17 -0.73 -0.55 115.15 124.29 3hw5 h HIS 41 Ca 0.13 -0.11 0.02 0.00 0.71 0.00 0.00 60.37 61.13 3hw5 h HIS 41 Cb 0.08 -0.34 -0.03 0.00 2.52 0.00 0.00 27.41 29.64 3hw5 h HIS 41 CO -0.12 0.91 0.18 -0.07 0.71 0.00 0.00 177.93 179.54 3hw5 h LEU 42 N 1.10 0.26 -1.07 0.26 -0.00 -0.63 -1.70 115.31 113.53 3hw5 h LEU 42 Ca 0.24 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 58.13 3hw5 h LEU 42 Cb 0.27 -0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 40.86 3hw5 h LEU 42 CO -0.01 0.19 0.47 -0.08 -0.00 0.00 0.00 178.44 179.01 3hw5 h GLU 43 N 0.37 1.11 -0.72 1.13 4.81 -0.33 -1.36 114.58 119.59 3hw5 h GLU 43 Ca 0.15 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 3hw5 h GLU 43 Cb 0.05 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 3hw5 h GLU 43 CO -0.10 0.80 0.33 0.28 -0.73 0.00 0.00 179.01 179.59 3hw5 h VAL 44 N 1.13 1.24 -0.96 0.32 2.07 -0.89 -0.65 116.25 118.51 3hw5 h VAL 44 Ca 0.29 -0.69 0.03 0.00 0.82 0.00 0.00 66.70 67.15 3hw5 h VAL 44 Cb -0.01 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.07 3hw5 h VAL 44 CO -0.05 0.28 0.63 0.00 0.02 0.00 0.00 177.57 178.46 3hw5 h PHE 46 N 1.25 0.86 -0.61 0.00 0.04 -0.79 -2.23 116.94 115.45 3hw5 h PHE 46 Ca 0.37 -0.34 -0.09 0.00 2.80 0.00 0.00 57.97 60.71 3hw5 h PHE 46 Cb -0.05 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 37.93 3hw5 h PHE 46 CO -0.01 1.13 0.03 0.52 -0.60 0.00 0.00 178.31 179.38 3hw5 h MET 47 N 0.48 1.07 -0.80 1.51 2.86 -0.72 -3.04 114.93 116.29 3hw5 h MET 47 Ca -0.01 -0.33 -0.04 0.00 -2.06 0.00 0.00 59.70 57.26 3hw5 h MET 47 Cb 1.23 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.75 3hw5 h MET 47 CO 0.13 1.03 0.35 -0.92 1.06 0.00 0.00 176.91 178.56 3hw5 h TYR 48 N 0.97 1.17 -2.94 -0.22 5.03 -0.61 -3.51 116.97 116.87 3hw5 h TYR 48 Ca 0.18 -0.07 -0.53 0.00 2.58 0.00 0.00 58.73 60.89 3hw5 h TYR 48 Cb 0.53 -0.36 -0.02 0.00 1.55 0.00 0.00 36.73 38.43 3hw5 h TYR 48 CO 0.04 0.87 -0.29 -1.54 -1.32 0.00 0.00 178.16 175.92 3hw5 s SER 49 N -6.35 6.41 0.00 -2.11 1.04 -0.85 -5.04 113.70 106.79 3hw5 s SER 49 Ca -0.12 0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.79 3hw5 s SER 49 Cb 0.16 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 64.24 3hw5 s SER 49 CO 0.83 -0.07 0.00 -1.14 0.98 0.00 0.00 173.24 173.84 3hw5 n ARG 75 N -0.68 0.00 -5.08 4.02 0.63 -1.26 -4.95 116.66 109.33 3hw5 n ARG 75 Ca -0.04 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.58 3hw5 n ARG 75 Cb 0.54 -0.88 -0.15 0.00 0.45 0.00 0.00 32.46 32.42 3hw5 n ARG 75 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3hw5 s PHE 76 N 0.00 2.39 -0.22 -0.14 0.40 -1.26 -1.19 117.98 117.96 3hw5 s PHE 76 Ca 0.00 -0.39 -0.09 0.00 -0.60 0.00 0.00 56.93 55.86 3hw5 s PHE 76 Cb 0.00 -1.48 -0.04 0.00 0.51 0.00 0.00 43.02 42.01 3hw5 s PHE 76 CO 0.00 0.06 0.11 -2.00 0.70 0.00 0.00 175.22 174.09 3hw5 s GLU 77 N -0.90 3.97 0.06 0.44 2.56 0.53 -4.94 118.70 120.42 3hw5 s GLU 77 Ca 0.11 -0.33 -0.30 0.00 0.00 0.00 0.00 54.97 54.45 3hw5 s GLU 77 Cb -0.10 -3.37 -0.05 0.00 2.00 0.00 0.00 34.13 32.61 3hw5 s GLU 77 CO 0.01 0.11 0.99 -1.50 -0.56 0.00 0.00 175.26 174.31 3hw5 s ILE 78 N 0.86 4.61 -0.11 -3.70 1.10 -1.26 -1.24 121.20 121.46 3hw5 s ILE 78 Ca 0.05 2.01 -0.05 0.00 -0.51 0.00 0.00 60.65 62.15 3hw5 s ILE 78 Cb -0.13 -4.28 -0.05 0.00 0.15 0.00 0.00 42.46 38.14 3hw5 s ILE 78 CO 0.03 0.23 -0.14 -0.38 -2.11 0.00 0.00 174.94 172.57 3hw5 n ILE 79 N 3.35 0.61 -1.65 2.00 2.08 0.55 -4.92 119.36 121.38 3hw5 n ILE 79 Ca 0.04 -0.16 -0.41 0.00 0.56 0.00 0.00 62.75 62.78 3hw5 n ILE 79 Cb 0.50 -1.56 0.01 0.00 -0.75 0.00 0.00 39.64 37.84 3hw5 n ILE 79 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 3hw5 n GLU 80 N -3.42 1.57 0.00 0.38 4.07 -0.51 -2.54 120.64 120.19 3hw5 n GLU 80 Ca -0.21 0.56 0.00 0.00 -0.06 0.00 0.00 57.16 57.45 3hw5 n GLU 80 Cb 0.66 -2.20 0.00 0.00 -0.06 0.00 0.00 31.44 29.84 3hw5 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hw5 n GLY 81 N 1.03 3.04 3.78 8.31 0.00 -1.26 -5.05 105.19 115.04 3hw5 n GLY 81 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 3hw5 n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hw5 s ARG 82 N -0.16 3.39 0.38 1.61 0.52 -1.05 -4.97 118.95 118.67 3hw5 s ARG 82 Ca 0.00 1.48 -0.26 0.00 -0.52 0.00 0.00 55.73 56.43 3hw5 s ARG 82 Cb 0.00 -2.02 -0.11 0.00 0.52 0.00 0.00 34.95 33.33 3hw5 s ARG 82 CO 0.00 -0.79 1.15 -0.25 0.02 0.00 0.00 175.30 175.43 3hw5 n ASP 83 N -1.43 1.99 -0.32 0.23 9.92 -1.26 -4.71 116.55 120.96 3hw5 n ASP 83 Ca 0.11 1.12 0.01 0.00 -0.53 0.00 0.00 54.79 55.50 3hw5 n ASP 83 Cb 0.52 -1.42 0.15 0.00 -0.64 0.00 0.00 41.12 39.73 3hw5 n ASP 83 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 3hw5 h ARG 84 N 2.01 0.99 -0.26 -1.24 2.43 -1.97 0.29 114.38 116.62 3hw5 h ARG 84 Ca -0.45 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 58.61 3hw5 h ARG 84 Cb 1.31 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 3hw5 h ARG 84 CO 0.60 0.65 -0.05 1.15 -1.51 0.00 0.00 179.97 180.81 3hw5 h THR 85 N 1.02 1.28 -0.57 0.20 2.02 -2.00 -0.78 112.91 114.08 3hw5 h THR 85 Ca 0.39 -1.05 -0.04 0.00 0.77 0.00 0.00 66.41 66.48 3hw5 h THR 85 Cb 0.17 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 3hw5 h THR 85 CO -0.17 0.33 0.19 -0.03 0.37 0.00 0.00 175.52 176.20 3hw5 h MET 86 N 0.25 0.86 -0.23 6.66 1.85 -1.79 -1.53 114.93 120.99 3hw5 h MET 86 Ca 0.07 -0.15 -0.01 0.00 -0.61 0.00 0.00 59.70 58.99 3hw5 h MET 86 Cb 0.51 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.39 3hw5 h MET 86 CO 0.02 0.73 0.08 0.00 -0.40 0.00 0.00 176.91 177.35 3hw5 h ALA 87 N 1.37 0.30 -0.33 0.39 0.00 -0.21 0.38 119.26 121.16 3hw5 h ALA 87 Ca 0.19 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3hw5 h ALA 87 Cb 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3hw5 h ALA 87 CO -0.01 -0.10 -0.23 -1.49 0.00 0.00 0.00 179.25 177.42 3hw5 h TRP 88 N 0.21 0.72 -0.44 0.00 4.06 -1.08 0.41 115.95 119.84 3hw5 h TRP 88 Ca 0.08 -0.16 0.06 0.00 2.06 0.00 0.00 58.89 60.93 3hw5 h TRP 88 Cb 0.20 -0.17 -0.05 0.00 -1.00 0.00 0.00 29.16 28.13 3hw5 h TRP 88 CO -0.01 0.82 0.12 1.15 -3.56 0.00 0.00 178.44 176.96 3hw5 h THR 89 N 0.56 0.81 -0.10 1.49 2.02 -1.01 0.11 112.91 116.79 3hw5 h THR 89 Ca 0.08 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 3hw5 h THR 89 Cb 0.70 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3hw5 h THR 89 CO 0.05 0.05 0.01 0.58 0.37 0.00 0.00 175.52 176.59 3hw5 h VAL 90 N 0.27 1.22 -0.39 3.16 2.07 -0.53 -0.23 116.25 121.82 3hw5 h VAL 90 Ca 0.21 -0.68 0.07 0.00 0.82 0.00 0.00 66.70 67.12 3hw5 h VAL 90 Cb 0.24 1.49 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 3hw5 h VAL 90 CO -0.25 0.19 0.01 0.58 0.02 0.00 0.00 177.57 178.13 3hw5 h VAL 91 N -0.07 0.72 -0.66 2.57 2.07 -0.81 -1.13 116.25 118.94 3hw5 h VAL 91 Ca 0.03 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 3hw5 h VAL 91 Cb 0.29 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3hw5 h VAL 91 CO 0.00 0.02 0.16 0.78 0.02 0.00 0.00 177.57 178.55 3hw5 h ASN 92 N 0.12 0.98 -0.49 0.57 4.21 -0.93 0.36 115.58 120.42 3hw5 h ASN 92 Ca 0.19 -0.20 -0.02 0.00 1.21 0.00 0.00 56.30 57.48 3hw5 h ASN 92 Cb 0.26 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.18 3hw5 h ASN 92 CO -0.31 0.95 0.22 -1.28 -1.29 0.00 0.00 177.43 175.72 3hw5 h SER 93 N 0.99 0.65 -0.28 5.81 0.87 -0.78 0.27 113.55 121.08 3hw5 h SER 93 Ca 0.21 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 3hw5 h SER 93 Cb 0.35 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3hw5 h SER 93 CO 0.00 0.62 0.07 0.40 -0.53 0.00 0.00 176.83 177.39 3hw5 h ILE 94 N 0.64 1.21 -0.68 2.23 2.04 -1.02 -1.93 117.51 120.00 3hw5 h ILE 94 Ca 0.16 -0.69 -0.07 0.00 1.00 0.00 0.00 64.86 65.26 3hw5 h ILE 94 Cb 0.15 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 3hw5 h ILE 94 CO -0.02 0.23 0.16 0.00 0.00 0.00 0.00 178.15 178.52 3hw5 n ASN 96 N -4.23 0.49 0.08 0.00 2.04 0.93 -3.35 115.26 111.23 3hw5 n ASN 96 Ca 0.05 0.35 -0.11 0.00 -0.44 0.00 0.00 54.58 54.43 3hw5 n ASN 96 Cb 0.26 -0.37 -0.12 0.00 -2.53 0.00 0.00 39.78 37.02 3hw5 n ASN 96 CO 0.00 0.00 0.00 0.74 -0.44 0.00 0.00 177.26 177.56 3hw5 h THR 97 N 0.00 1.60 -5.40 5.53 2.02 -0.81 -3.48 112.91 112.37 3hw5 h THR 97 Ca 0.00 -3.18 -0.56 0.00 0.77 0.00 0.00 66.41 63.44 3hw5 h THR 97 Cb 0.63 2.85 -0.07 0.00 -1.74 0.00 0.00 68.15 69.82 3hw5 h THR 97 CO 0.00 0.92 -0.32 0.35 0.37 0.00 0.00 175.52 176.83 3hw5 n THR 98 N -3.46 0.00 0.31 3.16 -2.24 0.37 -5.00 114.28 107.41 3hw5 n THR 98 Ca -0.04 -2.06 0.17 0.00 -2.27 0.00 0.00 64.05 59.85 3hw5 n THR 98 Cb 0.96 0.13 0.75 0.00 -2.10 0.00 0.00 70.33 70.08 3hw5 n THR 98 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3hw5 h GLY 99 N 0.80 0.00 -4.12 3.38 0.00 -1.86 -3.45 103.07 97.82 3hw5 h GLY 99 Ca -0.34 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.45 3hw5 h GLY 99 CO 0.55 0.00 0.81 0.14 0.00 0.00 0.00 176.54 178.05 3hw5 s VAL 100 N -3.69 2.17 0.34 4.60 1.01 -1.26 -4.92 120.40 118.65 3hw5 s VAL 100 Ca 0.00 0.16 -0.26 0.00 0.00 0.00 0.00 61.98 61.87 3hw5 s VAL 100 Cb 0.10 -3.10 -0.13 0.00 0.00 0.00 0.00 36.38 33.25 3hw5 s VAL 100 CO 0.47 0.03 0.99 1.21 0.00 0.00 0.00 175.10 177.80 3hw5 n GLU 101 N 1.40 1.34 -2.99 2.72 2.13 -1.26 -4.74 120.64 119.24 3hw5 n GLU 101 Ca 0.04 0.47 -0.41 0.00 0.66 0.00 0.00 57.16 57.93 3hw5 n GLU 101 Cb 0.39 -1.91 -0.05 0.00 0.27 0.00 0.00 31.44 30.14 3hw5 n GLU 101 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3hw5 s LYS 102 N -1.72 4.31 0.56 5.31 2.20 -1.26 -4.98 119.74 124.16 3hw5 s LYS 102 Ca 0.60 0.88 -0.21 0.00 -0.36 0.00 0.00 55.97 56.88 3hw5 s LYS 102 Cb -0.64 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.09 3hw5 s LYS 102 CO 0.59 -0.20 1.30 -2.14 -0.36 0.00 0.00 175.35 174.54 3hw5 s PRO 103 N 1.73 3.11 0.53 4.03 0.02 -1.26 -4.93 135.00 138.24 3hw5 s PRO 103 Ca 0.36 2.08 0.32 0.00 0.02 0.00 0.00 61.00 63.78 3hw5 s PRO 103 Cb -0.17 -2.16 1.23 0.00 0.02 0.00 0.00 34.50 33.42 3hw5 s PRO 103 CO 0.13 -1.17 1.94 0.87 -0.33 0.00 0.00 177.00 178.44 3hw5 h LYS 104 N 1.31 0.00 0.00 5.54 1.57 -1.96 -3.39 116.57 119.63 3hw5 h LYS 104 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3hw5 h LYS 104 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3hw5 h LYS 104 CO 0.57 0.01 -0.71 1.19 -0.57 0.00 0.00 179.45 179.94 3hw5 n PHE 105 N -3.10 0.00 0.00 -1.35 3.72 -1.26 -5.11 117.46 110.36 3hw5 n PHE 105 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 3hw5 n PHE 105 Cb 0.34 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 3hw5 n PHE 105 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3hw5 n LEU 106 N -1.22 0.00 0.00 4.37 4.77 -1.26 -5.06 117.00 118.61 3hw5 n LEU 106 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hw5 n LEU 106 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3hw5 n LEU 106 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.39 175.25 3hw5 n PRO 107 N 0.11 0.36 -0.10 3.23 -0.05 -1.26 -5.05 135.00 132.23 3hw5 n PRO 107 Ca 0.00 0.00 -0.18 0.00 -0.05 0.00 0.00 63.50 63.27 3hw5 n PRO 107 Cb 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 33.50 33.32 3hw5 n PRO 107 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 3hw5 n ASP 108 N -2.96 1.80 -4.11 3.54 8.00 -0.02 -3.98 116.55 118.83 3hw5 n ASP 108 Ca 0.00 -0.05 -0.08 0.00 0.71 0.00 0.00 54.79 55.37 3hw5 n ASP 108 Cb 0.00 -0.36 -0.10 0.00 -0.02 0.00 0.00 41.12 40.64 3hw5 n ASP 108 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hw5 s LEU 109 N -6.51 2.37 -0.09 0.64 1.43 -0.66 -0.33 118.68 115.54 3hw5 s LEU 109 Ca -0.30 -1.04 0.04 0.00 -1.03 0.00 0.00 54.13 51.80 3hw5 s LEU 109 Cb 0.08 0.18 -0.01 0.00 0.03 0.00 0.00 46.19 46.47 3hw5 s LEU 109 CO 0.66 -0.60 -0.20 -0.47 0.23 0.00 0.00 176.35 175.96 3hw5 s TYR 110 N -3.90 2.60 -0.50 0.29 5.04 -0.37 -1.02 117.35 119.48 3hw5 s TYR 110 Ca 0.11 -0.73 -0.16 0.00 -2.44 0.00 0.00 57.07 53.85 3hw5 s TYR 110 Cb 0.08 -1.70 0.09 0.00 0.35 0.00 0.00 41.96 40.78 3hw5 s TYR 110 CO -0.07 -0.22 0.46 0.34 -1.34 0.00 0.00 175.55 174.71 3hw5 s ASP 111 N 0.04 6.17 0.60 4.32 3.68 0.07 -0.35 116.67 131.20 3hw5 s ASP 111 Ca -0.08 -1.39 0.39 0.00 2.13 0.00 0.00 52.55 53.60 3hw5 s ASP 111 Cb -0.15 -2.21 1.85 0.00 -1.45 0.00 0.00 42.92 40.96 3hw5 s ASP 111 CO 0.05 -0.74 2.16 1.88 0.13 0.00 0.00 175.17 178.65 3hw5 h TYR 112 N 8.83 0.00 0.00 -5.34 0.05 -1.44 0.21 116.97 119.28 3hw5 h TYR 112 Ca -0.29 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.47 3hw5 h TYR 112 Cb 1.11 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.84 3hw5 h TYR 112 CO 0.68 0.00 -0.14 -0.22 -1.05 0.00 0.00 178.16 177.43 3hw5 h LYS 113 N 0.00 0.00 -0.05 4.88 3.64 -1.93 -3.34 116.57 119.78 3hw5 h LYS 113 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hw5 h LYS 113 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3hw5 h LYS 113 CO 0.00 0.70 0.00 0.39 -2.27 0.00 0.00 179.45 178.27 3hw5 n GLU 114 N -4.64 1.85 -3.75 1.90 -0.58 -1.22 -4.96 120.64 109.25 3hw5 n GLU 114 Ca -0.09 -1.24 -0.31 0.00 -0.42 0.00 0.00 57.16 55.10 3hw5 n GLU 114 Cb 0.36 -1.47 0.02 0.00 -0.57 0.00 0.00 31.44 29.79 3hw5 n GLU 114 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3hw5 n ASN 115 N 0.50 -5.17 -3.51 1.62 2.85 0.02 -5.01 115.26 106.56 3hw5 n ASN 115 Ca 0.18 -0.99 -0.16 0.00 -0.11 0.00 0.00 54.58 53.50 3hw5 n ASN 115 Cb 0.42 -2.72 -0.05 0.00 1.24 0.00 0.00 39.78 38.66 3hw5 n ASN 115 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3hw5 s ARG 116 N -5.82 1.10 0.57 1.20 1.70 -0.95 -4.98 118.95 111.76 3hw5 s ARG 116 Ca 0.32 0.04 -0.15 0.00 -0.47 0.00 0.00 55.73 55.48 3hw5 s ARG 116 Cb -0.14 0.51 -0.05 0.00 -0.57 0.00 0.00 34.95 34.70 3hw5 s ARG 116 CO 0.89 -0.38 1.02 -0.06 -1.08 0.00 0.00 175.30 175.69 3hw5 s PHE 117 N -1.87 3.26 -0.03 5.89 0.40 -1.26 -0.75 117.98 123.62 3hw5 s PHE 117 Ca -0.08 1.46 0.02 0.00 -0.60 0.00 0.00 56.93 57.73 3hw5 s PHE 117 Cb -0.00 -2.87 0.01 0.00 0.51 0.00 0.00 43.02 40.66 3hw5 s PHE 117 CO 0.04 -0.77 -0.09 0.42 0.70 0.00 0.00 175.22 175.52 3hw5 s ILE 118 N -2.66 0.81 -0.28 0.64 1.01 -0.19 -1.02 121.20 119.51 3hw5 s ILE 118 Ca 0.60 -0.35 -0.12 0.00 0.00 0.00 0.00 60.65 60.78 3hw5 s ILE 118 Cb -0.13 -0.74 -0.05 0.00 0.01 0.00 0.00 42.46 41.56 3hw5 s ILE 118 CO 0.38 0.26 0.23 -1.61 0.00 0.00 0.00 174.94 174.20 3hw5 s GLU 119 N 0.36 3.96 -0.13 2.79 0.41 0.07 -0.84 118.70 125.32 3hw5 s GLU 119 Ca -0.06 -0.24 -0.08 0.00 -0.41 0.00 0.00 54.97 54.18 3hw5 s GLU 119 Cb -0.10 -3.66 -0.04 0.00 -1.78 0.00 0.00 34.13 28.54 3hw5 s GLU 119 CO 0.01 -0.20 0.16 0.42 -0.49 0.00 0.00 175.26 175.15 3hw5 s ILE 120 N 1.83 5.46 0.08 -1.63 -1.09 -1.26 -0.80 121.20 123.79 3hw5 s ILE 120 Ca 0.09 0.25 0.07 0.00 -2.23 0.00 0.00 60.65 58.82 3hw5 s ILE 120 Cb -0.16 -3.43 -0.03 0.00 -1.58 0.00 0.00 42.46 37.26 3hw5 s ILE 120 CO 0.11 0.58 -0.18 -0.83 -1.23 0.00 0.00 174.94 173.39 3hw5 s GLY 121 N -0.76 1.05 -0.08 6.18 0.00 -0.02 -4.95 107.32 108.73 3hw5 s GLY 121 Ca 0.14 -1.10 0.01 0.00 0.00 0.00 0.00 44.72 43.77 3hw5 s GLY 121 CO 0.03 -1.11 -0.08 0.14 0.00 0.00 0.00 173.10 172.08 3hw5 s VAL 122 N -1.16 0.96 0.04 1.40 1.01 -1.26 -0.46 120.40 120.93 3hw5 s VAL 122 Ca 0.03 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.73 3hw5 s VAL 122 Cb -0.10 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 3hw5 s VAL 122 CO 0.03 0.34 -0.12 0.28 0.00 0.00 0.00 175.10 175.63 3hw5 s THR 123 N 1.22 0.89 -2.60 3.92 -1.32 -0.14 -4.97 115.64 112.65 3hw5 s THR 123 Ca -0.05 -0.97 0.24 0.00 -1.21 0.00 0.00 61.69 59.70 3hw5 s THR 123 Cb -0.14 -0.84 0.38 0.00 -1.51 0.00 0.00 72.50 70.39 3hw5 s THR 123 CO -0.02 -0.11 1.44 -2.11 -2.21 0.00 0.00 174.62 171.61 3hw5 n ARG 124 N 1.83 2.18 -1.83 7.08 1.85 -1.26 -3.11 116.66 123.40 3hw5 n ARG 124 Ca -0.19 -1.75 -0.07 0.00 -1.00 0.00 0.00 57.85 54.84 3hw5 n ARG 124 Cb 0.55 -1.47 0.01 0.00 -1.05 0.00 0.00 32.46 30.50 3hw5 n ARG 124 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3hw5 n ARG 125 N 1.03 1.00 -1.77 2.89 1.74 -1.26 -4.97 116.66 115.32 3hw5 n ARG 125 Ca 0.17 -1.01 -0.42 0.00 -0.77 0.00 0.00 57.85 55.82 3hw5 n ARG 125 Cb 0.51 -0.01 -0.02 0.00 -1.02 0.00 0.00 32.46 31.92 3hw5 n ARG 125 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3hw5 s GLU 126 N -2.78 4.13 0.22 5.56 2.02 -1.26 -4.92 118.70 121.67 3hw5 s GLU 126 Ca 0.16 2.58 -0.04 0.00 0.02 0.00 0.00 54.97 57.68 3hw5 s GLU 126 Cb -0.01 -3.05 0.21 0.00 0.10 0.00 0.00 34.13 31.37 3hw5 s GLU 126 CO 0.10 -0.68 1.65 -0.39 0.02 0.00 0.00 175.26 175.96 3hw5 h VAL 127 N 3.61 1.27 -0.72 2.63 -1.51 -1.96 -2.15 116.25 117.41 3hw5 h VAL 127 Ca -0.45 -1.27 -0.05 0.00 -1.23 0.00 0.00 66.70 63.71 3hw5 h VAL 127 Cb 1.21 1.13 -0.03 0.00 -2.13 0.00 0.00 31.29 31.47 3hw5 h VAL 127 CO 0.87 0.43 0.27 0.45 -1.23 0.00 0.00 177.57 178.36 3hw5 h HIS 128 N 0.70 1.12 -0.05 5.19 3.86 -1.97 0.91 115.15 124.91 3hw5 h HIS 128 Ca 0.11 -0.09 0.03 0.00 -1.16 0.00 0.00 60.37 59.25 3hw5 h HIS 128 Cb 0.68 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 28.78 3hw5 h HIS 128 CO 0.04 0.87 -0.14 1.15 0.86 0.00 0.00 177.93 180.70 3hw5 h THR 129 N 1.05 0.63 -0.35 2.45 2.02 -1.87 -1.70 112.91 115.13 3hw5 h THR 129 Ca 0.24 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.38 3hw5 h THR 129 Cb 0.24 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3hw5 h THR 129 CO -0.02 0.00 0.07 0.22 0.37 0.00 0.00 175.52 176.16 3hw5 h TYR 130 N -0.21 0.61 -0.25 3.16 3.20 -1.17 -1.40 116.97 120.92 3hw5 h TYR 130 Ca 0.07 -0.08 0.05 0.00 3.14 0.00 0.00 58.73 61.91 3hw5 h TYR 130 Cb 0.30 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.35 3hw5 h TYR 130 CO -0.23 0.62 -0.09 -0.92 -1.64 0.00 0.00 178.16 175.91 3hw5 h TYR 131 N 0.42 -0.20 -0.30 -3.82 3.20 -0.72 -1.41 116.97 114.15 3hw5 h TYR 131 Ca 0.11 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.87 3hw5 h TYR 131 Cb 0.33 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 3hw5 h TYR 131 CO 0.02 -0.14 -0.36 -0.07 -1.64 0.00 0.00 178.16 175.96 3hw5 h LEU 132 N -0.04 0.71 -0.58 2.82 3.38 -1.14 0.06 115.31 120.52 3hw5 h LEU 132 Ca 0.12 -0.30 0.12 0.00 0.09 0.00 0.00 57.88 57.91 3hw5 h LEU 132 Cb 0.23 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 40.68 3hw5 h LEU 132 CO -0.28 1.00 -0.02 -0.33 0.09 0.00 0.00 178.44 178.91 3hw5 h GLU 133 N 0.56 0.10 -0.23 1.13 5.08 -0.98 0.42 114.58 120.67 3hw5 h GLU 133 Ca 0.05 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3hw5 h GLU 133 Cb 0.88 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 3hw5 h GLU 133 CO 0.08 0.06 -0.01 -0.22 -1.00 0.00 0.00 179.01 177.92 3hw5 h LYS 134 N 0.10 0.40 -0.46 2.33 1.63 -0.90 -0.42 116.57 119.25 3hw5 h LYS 134 Ca 0.30 -0.13 0.05 0.00 -0.85 0.00 0.00 60.65 60.02 3hw5 h LYS 134 Cb 0.48 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.03 3hw5 h LYS 134 CO -0.51 0.60 0.18 0.00 -3.45 0.00 0.00 179.45 176.27 3hw5 h ALA 135 N 0.79 0.56 -0.23 5.00 0.00 -0.71 -1.61 119.26 123.07 3hw5 h ALA 135 Ca 0.06 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3hw5 h ALA 135 Cb 0.42 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3hw5 h ALA 135 CO 0.01 -0.20 -0.16 -0.91 0.00 0.00 0.00 179.25 177.99 3hw5 h ASN 136 N 0.37 0.39 0.01 0.00 -0.26 -0.81 -1.64 115.58 113.63 3hw5 h ASN 136 Ca 0.21 -0.10 -0.00 0.00 -0.56 0.00 0.00 56.30 55.85 3hw5 h ASN 136 Cb 0.19 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.35 3hw5 h ASN 136 CO -0.20 0.58 -0.00 0.50 -1.06 0.00 0.00 177.43 177.24 3hw5 h LYS 137 N 0.37 -0.01 0.00 0.81 3.64 -0.69 -3.35 116.57 117.33 3hw5 h LYS 137 Ca 0.07 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3hw5 h LYS 137 Cb 0.51 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3hw5 h LYS 137 CO 0.03 0.39 -0.14 -0.84 -2.27 0.00 0.00 179.45 176.62 3hw5 h ILE 138 N -0.41 0.09 -7.01 2.00 3.07 -1.22 -3.48 117.51 110.54 3hw5 h ILE 138 Ca -0.00 -1.12 -0.61 0.00 1.55 0.00 0.00 64.86 64.67 3hw5 h ILE 138 Cb 0.41 2.00 -0.10 0.00 -0.27 0.00 0.00 36.82 38.85 3hw5 h ILE 138 CO 0.00 0.05 -0.99 0.29 -1.05 0.00 0.00 178.15 176.45 3hw5 n LYS 139 N -3.07 -0.58 -4.85 0.16 5.02 -0.62 -4.74 118.16 109.46 3hw5 n LYS 139 Ca 0.03 0.08 -0.26 0.00 -2.02 0.00 0.00 58.31 56.14 3hw5 n LYS 139 Cb 0.55 -3.00 -0.15 0.00 -0.02 0.00 0.00 35.03 32.41 3hw5 n LYS 139 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3hw5 s SER 140 N -3.93 2.39 0.00 4.39 0.15 -1.26 -5.01 113.70 110.43 3hw5 s SER 140 Ca 0.27 -0.42 0.25 0.00 0.70 0.00 0.00 55.95 56.74 3hw5 s SER 140 Cb -0.15 -0.24 0.47 0.00 -1.71 0.00 0.00 66.02 64.39 3hw5 s SER 140 CO 0.99 0.21 1.39 -0.62 1.20 0.00 0.00 173.24 176.40 3hw5 n GLU 141 N 2.31 0.98 -0.02 5.44 4.71 -1.26 -4.38 120.64 128.41 3hw5 n GLU 141 Ca -0.16 -0.68 0.00 0.00 -0.01 0.00 0.00 57.16 56.31 3hw5 n GLU 141 Cb 0.53 -1.49 -0.06 0.00 -1.01 0.00 0.00 31.44 29.42 3hw5 n GLU 141 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3hw5 n LYS 142 N -0.42 1.50 -2.92 3.49 4.76 -1.26 -4.98 118.16 118.33 3hw5 n LYS 142 Ca 0.11 -0.04 -0.40 0.00 -2.87 0.00 0.00 58.31 55.11 3hw5 n LYS 142 Cb 0.39 -1.18 -0.04 0.00 -1.84 0.00 0.00 35.03 32.36 3hw5 n LYS 142 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3hw5 s THR 143 N -2.36 4.90 0.13 -0.18 2.01 -1.26 -4.63 115.64 114.25 3hw5 s THR 143 Ca -0.03 1.69 -0.19 0.00 0.31 0.00 0.00 61.69 63.48 3hw5 s THR 143 Cb 0.04 -4.15 -0.07 0.00 0.01 0.00 0.00 72.50 68.32 3hw5 s THR 143 CO 0.31 0.25 0.61 -2.28 -0.69 0.00 0.00 174.62 172.82 3hw5 s HIS 144 N 0.64 3.74 -0.12 4.92 2.46 -0.18 -4.91 115.29 121.84 3hw5 s HIS 144 Ca 0.42 1.28 -0.00 0.00 0.47 0.00 0.00 55.06 57.23 3hw5 s HIS 144 Cb -0.20 -2.51 -0.02 0.00 -0.13 0.00 0.00 32.58 29.72 3hw5 s HIS 144 CO 0.23 0.50 -0.11 0.42 -2.47 0.00 0.00 174.74 173.31 3hw5 s ILE 145 N -1.27 3.27 -0.14 0.89 1.01 -1.26 -0.75 121.20 122.94 3hw5 s ILE 145 Ca 0.34 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.38 3hw5 s ILE 145 Cb -0.18 -2.37 0.04 0.00 0.01 0.00 0.00 42.46 39.96 3hw5 s ILE 145 CO 0.20 0.53 -0.01 -2.28 0.00 0.00 0.00 174.94 173.38 3hw5 s HIS 146 N 0.12 1.17 -0.13 3.97 2.46 0.02 -1.39 115.29 121.50 3hw5 s HIS 146 Ca -0.05 -0.70 -0.03 0.00 0.47 0.00 0.00 55.06 54.75 3hw5 s HIS 146 Cb -0.15 -1.07 -0.03 0.00 -0.13 0.00 0.00 32.58 31.21 3hw5 s HIS 146 CO 0.04 -0.52 -0.04 0.42 -2.47 0.00 0.00 174.74 172.17 3hw5 s ILE 147 N 1.81 3.89 0.14 0.89 -1.09 0.14 -0.84 121.20 126.14 3hw5 s ILE 147 Ca 0.02 -0.37 0.09 0.00 -2.23 0.00 0.00 60.65 58.16 3hw5 s ILE 147 Cb -0.15 -2.68 -0.04 0.00 -1.58 0.00 0.00 42.46 38.02 3hw5 s ILE 147 CO -0.07 0.52 -0.16 -0.36 -1.23 0.00 0.00 174.94 173.64 3hw5 s PHE 148 N 0.02 2.54 0.36 3.97 0.40 0.39 -1.61 117.98 124.06 3hw5 s PHE 148 Ca 0.00 -0.26 0.08 0.00 -0.60 0.00 0.00 56.93 56.15 3hw5 s PHE 148 Cb -0.13 -1.31 -0.07 0.00 0.51 0.00 0.00 43.02 42.01 3hw5 s PHE 148 CO 0.03 0.43 -0.04 -1.54 0.70 0.00 0.00 175.22 174.79 3hw5 s SER 149 N -2.36 3.64 0.00 1.36 1.04 -0.49 -0.96 113.70 115.93 3hw5 s SER 149 Ca 0.20 -1.28 0.29 0.00 0.48 0.00 0.00 55.95 55.64 3hw5 s SER 149 Cb -0.10 -0.34 1.51 0.00 0.10 0.00 0.00 66.02 67.19 3hw5 s SER 149 CO 0.11 -0.34 2.02 0.49 0.98 0.00 0.00 173.24 176.51 3hw5 n PHE 150 N -0.84 0.00 1.05 5.02 3.01 -1.18 -3.14 117.46 121.38 3hw5 n PHE 150 Ca -0.05 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.53 3hw5 n PHE 150 Cb 0.65 -0.24 0.24 0.00 -0.01 0.00 0.00 39.48 40.12 3hw5 n PHE 150 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3hw5 n THR 151 N -1.24 0.00 -0.12 4.37 -2.24 -1.26 -4.63 114.28 109.16 3hw5 n THR 151 Ca 0.15 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 3hw5 n THR 151 Cb 0.21 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 3hw5 n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hw5 n GLY 152 N 1.46 0.56 3.77 3.38 0.00 -1.19 -5.07 105.19 108.11 3hw5 n GLY 152 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3hw5 n GLY 152 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hw5 s GLU 153 N -0.88 4.15 0.06 1.61 2.12 -1.26 -4.88 118.70 119.62 3hw5 s GLU 153 Ca 0.00 1.66 0.00 0.00 0.36 0.00 0.00 54.97 56.99 3hw5 s GLU 153 Cb 0.00 -2.64 -0.04 0.00 0.26 0.00 0.00 34.13 31.71 3hw5 s GLU 153 CO 0.00 -0.19 -0.04 -1.83 -0.54 0.00 0.00 175.26 172.66 3hw5 s GLU 154 N -2.34 0.61 -0.10 4.30 -1.05 -1.26 -1.39 118.70 117.47 3hw5 s GLU 154 Ca 0.57 -1.10 -0.05 0.00 -0.15 0.00 0.00 54.97 54.23 3hw5 s GLU 154 Cb -0.26 0.04 0.04 0.00 -0.44 0.00 0.00 34.13 33.51 3hw5 s GLU 154 CO 0.33 -0.06 0.23 1.41 0.95 0.00 0.00 175.26 178.12 3hw5 s MET 155 N -3.27 0.21 0.07 -4.83 1.75 -0.63 -5.00 119.30 107.60 3hw5 s MET 155 Ca 0.03 0.48 0.04 0.00 -1.25 0.00 0.00 55.69 54.99 3hw5 s MET 155 Cb 0.03 -0.09 -0.03 0.00 2.84 0.00 0.00 34.83 37.58 3hw5 s MET 155 CO -0.06 -0.14 -0.11 0.00 -0.65 0.00 0.00 175.02 174.06 3hw5 s ALA 156 N 1.07 0.98 0.16 4.11 0.00 -1.26 -0.68 121.76 126.13 3hw5 s ALA 156 Ca -0.08 -1.00 -0.33 0.00 0.00 0.00 0.00 51.96 50.55 3hw5 s ALA 156 Cb -0.09 -0.01 -0.13 0.00 0.00 0.00 0.00 23.12 22.89 3hw5 s ALA 156 CO -0.07 0.04 1.66 2.41 0.00 0.00 0.00 175.76 179.80 3hw5 n THR 157 N 1.07 0.05 -1.64 0.00 -1.04 -0.49 -1.31 114.28 110.92 3hw5 n THR 157 Ca -0.20 -0.01 -0.19 0.00 -2.04 0.00 0.00 64.05 61.62 3hw5 n THR 157 Cb 0.56 -1.74 -0.07 0.00 -1.82 0.00 0.00 70.33 67.26 3hw5 n THR 157 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3hw5 n LYS 158 N 3.89 -1.31 -3.30 -2.82 5.02 -1.26 -1.61 118.16 116.77 3hw5 n LYS 158 Ca 0.17 1.12 -0.23 0.00 -2.02 0.00 0.00 58.31 57.35 3hw5 n LYS 158 Cb 0.31 -5.44 0.00 0.00 -0.02 0.00 0.00 35.03 29.89 3hw5 n LYS 158 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hw5 n ALA 159 N 0.95 -1.05 -3.02 7.82 0.00 -0.43 -4.94 120.51 119.84 3hw5 n ALA 159 Ca -0.19 0.12 -0.39 0.00 0.00 0.00 0.00 53.44 52.98 3hw5 n ALA 159 Cb 0.62 -2.99 -0.12 0.00 0.00 0.00 0.00 19.45 16.96 3hw5 n ALA 159 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hw5 s ASP 160 N -2.72 5.54 0.00 0.00 -1.08 -0.64 -4.98 116.67 112.80 3hw5 s ASP 160 Ca 0.38 -1.08 0.24 0.00 -0.52 0.00 0.00 52.55 51.57 3hw5 s ASP 160 Cb -0.20 -1.95 0.28 0.00 -1.46 0.00 0.00 42.92 39.59 3hw5 s ASP 160 CO 0.47 -0.36 1.26 -1.22 0.52 0.00 0.00 175.17 175.84 3hw5 n TYR 161 N 4.91 0.00 0.00 -5.34 4.02 -1.26 -4.40 117.16 115.09 3hw5 n TYR 161 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.77 3hw5 n TYR 161 Cb 0.45 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.70 3hw5 n TYR 161 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3hw5 n THR 162 N -0.62 0.00 -3.03 -0.72 -1.04 -1.26 -4.80 114.28 102.82 3hw5 n THR 162 Ca 0.09 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.82 3hw5 n THR 162 Cb 0.39 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.88 3hw5 n THR 162 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hw5 s LEU 163 N 0.00 3.87 0.92 -4.42 1.43 -1.26 -5.09 118.68 114.13 3hw5 s LEU 163 Ca 0.00 0.83 -0.12 0.00 -1.03 0.00 0.00 54.13 53.81 3hw5 s LEU 163 Cb 0.00 -3.71 0.15 0.00 0.03 0.00 0.00 46.19 42.66 3hw5 s LEU 163 CO 0.00 -0.37 1.10 1.51 0.23 0.00 0.00 176.35 178.82 3hw5 s ASP 164 N -3.59 3.27 0.22 2.29 3.84 -1.26 -4.80 116.67 116.64 3hw5 s ASP 164 Ca 0.46 1.32 -0.09 0.00 -0.00 0.00 0.00 52.55 54.24 3hw5 s ASP 164 Cb -0.10 -1.99 0.33 0.00 -1.38 0.00 0.00 42.92 39.78 3hw5 s ASP 164 CO 0.36 -2.75 1.71 -0.33 -0.00 0.00 0.00 175.17 174.16 3hw5 h GLU 165 N -1.62 0.28 -0.01 2.11 4.39 -1.98 -1.86 114.58 115.88 3hw5 h GLU 165 Ca -0.51 -0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.00 3hw5 h GLU 165 Cb 1.30 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.87 3hw5 h GLU 165 CO 0.57 0.18 -0.77 1.05 -1.16 0.00 0.00 179.01 178.88 3hw5 h GLU 166 N 0.28 0.11 -0.54 2.33 4.11 -1.98 0.45 114.58 119.35 3hw5 h GLU 166 Ca 0.34 -0.11 -0.04 0.00 0.07 0.00 0.00 59.36 59.62 3hw5 h GLU 166 Cb 0.52 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 3hw5 h GLU 166 CO -0.42 0.82 0.16 1.03 0.07 0.00 0.00 179.01 180.68 3hw5 h SER 167 N 0.07 0.79 -0.22 3.06 0.87 -1.85 -0.62 113.55 115.66 3hw5 h SER 167 Ca -0.02 -0.21 -0.16 0.00 -1.23 0.00 0.00 61.79 60.17 3hw5 h SER 167 Cb 1.35 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.10 3hw5 h SER 167 CO 0.11 0.79 -0.45 0.03 -0.53 0.00 0.00 176.83 176.79 3hw5 h ARG 168 N 0.74 0.78 -0.89 2.24 3.08 -1.10 -2.84 114.38 116.39 3hw5 h ARG 168 Ca 0.17 -0.43 0.01 0.00 0.07 0.00 0.00 59.98 59.80 3hw5 h ARG 168 Cb 0.29 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 3hw5 h ARG 168 CO -0.00 1.06 0.59 0.00 -1.07 0.00 0.00 179.97 180.54 3hw5 h ALA 169 N 0.87 1.37 -0.88 0.04 0.00 -0.75 0.24 119.26 120.16 3hw5 h ALA 169 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hw5 h ALA 169 Cb 1.01 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3hw5 h ALA 169 CO 0.10 0.58 0.49 0.00 0.00 0.00 0.00 179.25 180.42 3hw5 h ARG 170 N 1.20 1.22 -0.28 0.00 3.08 -0.93 -0.60 114.38 118.06 3hw5 h ARG 170 Ca 0.33 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 3hw5 h ARG 170 Cb -0.13 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.66 3hw5 h ARG 170 CO -0.07 0.88 0.15 0.82 -1.07 0.00 0.00 179.97 180.68 3hw5 h ILE 171 N 1.22 1.14 -0.50 2.04 2.04 -1.24 -1.80 117.51 120.41 3hw5 h ILE 171 Ca 0.31 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 3hw5 h ILE 171 Cb 0.01 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 3hw5 h ILE 171 CO -0.05 0.14 0.24 0.11 0.00 0.00 0.00 178.15 178.58 3hw5 h LYS 172 N 0.33 0.70 -0.29 2.37 1.57 -0.65 -1.29 116.57 119.31 3hw5 h LYS 172 Ca 0.10 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 3hw5 h LYS 172 Cb 0.09 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3hw5 h LYS 172 CO -0.01 0.55 -0.05 1.15 -0.57 0.00 0.00 179.45 180.51 3hw5 h THR 173 N 0.70 1.28 -0.89 -0.16 2.02 -0.93 -1.22 112.91 113.71 3hw5 h THR 173 Ca 0.18 -1.06 0.06 0.00 0.77 0.00 0.00 66.41 66.35 3hw5 h THR 173 Cb 0.08 1.37 -0.06 0.00 -1.74 0.00 0.00 68.15 67.80 3hw5 h THR 173 CO -0.02 0.34 0.56 -0.09 0.37 0.00 0.00 175.52 176.67 3hw5 h ARG 174 N 0.32 0.99 -0.59 6.66 9.65 -1.08 -0.72 114.38 129.61 3hw5 h ARG 174 Ca 0.08 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.89 3hw5 h ARG 174 Cb 0.52 -0.22 -0.03 0.00 -1.39 0.00 0.00 29.97 28.85 3hw5 h ARG 174 CO 0.03 0.65 0.35 -0.07 2.80 0.00 0.00 179.97 183.73 3hw5 h LEU 175 N 1.02 0.72 -0.98 3.80 3.38 -0.67 -0.87 115.31 121.71 3hw5 h LEU 175 Ca 0.38 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 3hw5 h LEU 175 Cb 0.16 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3hw5 h LEU 175 CO -0.17 0.58 0.53 -0.26 0.09 0.00 0.00 178.44 179.21 3hw5 h PHE 176 N 0.80 1.21 -0.51 1.13 0.05 -0.93 -0.73 116.94 117.96 3hw5 h PHE 176 Ca 0.21 -0.01 -0.02 0.00 3.82 0.00 0.00 57.97 61.97 3hw5 h PHE 176 Cb -0.00 -0.39 -0.02 0.00 2.00 0.00 0.00 35.95 37.53 3hw5 h PHE 176 CO -0.02 0.81 0.23 1.15 -0.18 0.00 0.00 178.31 180.30 3hw5 h THR 177 N 1.25 1.20 -0.05 -1.55 2.02 -0.58 0.45 112.91 115.66 3hw5 h THR 177 Ca 0.32 -0.59 0.01 0.00 0.77 0.00 0.00 66.41 66.92 3hw5 h THR 177 Cb -0.03 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3hw5 h THR 177 CO -0.06 0.23 -0.02 0.40 0.37 0.00 0.00 175.52 176.45 3hw5 h ILE 178 N 0.67 0.94 -0.29 3.11 2.04 -0.87 -0.73 117.51 122.40 3hw5 h ILE 178 Ca 0.17 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.09 3hw5 h ILE 178 Cb 0.15 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.11 3hw5 h ILE 178 CO -0.02 0.00 -0.12 -0.09 0.00 0.00 0.00 178.15 177.92 3hw5 h ARG 179 N -0.01 -0.07 -0.61 2.37 2.43 -0.90 0.14 114.38 117.73 3hw5 h ARG 179 Ca 0.02 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 3hw5 h ARG 179 Cb 0.04 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3hw5 h ARG 179 CO -0.05 -0.05 0.06 -0.56 -1.51 0.00 0.00 179.97 177.86 3hw5 h GLN 180 N -0.08 1.03 -0.64 0.20 3.07 -0.79 0.12 115.11 118.03 3hw5 h GLN 180 Ca 0.15 -0.30 -0.07 0.00 0.09 0.00 0.00 58.65 58.52 3hw5 h GLN 180 Cb 0.30 -0.11 -0.03 0.00 0.08 0.00 0.00 27.48 27.72 3hw5 h GLN 180 CO -0.34 0.99 0.14 1.49 0.09 0.00 0.00 178.83 181.20 3hw5 h GLU 181 N 0.94 1.02 -0.63 0.06 4.57 -0.90 -0.62 114.58 119.01 3hw5 h GLU 181 Ca 0.18 -0.24 0.05 0.00 -1.18 0.00 0.00 59.36 58.17 3hw5 h GLU 181 Cb 0.48 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.89 3hw5 h GLU 181 CO 0.02 0.92 0.35 0.52 -1.18 0.00 0.00 179.01 179.64 3hw5 h MET 182 N 0.97 0.65 -0.64 1.92 2.86 -0.33 -2.86 114.93 117.49 3hw5 h MET 182 Ca 0.20 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 3hw5 h MET 182 Cb 0.37 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 3hw5 h MET 182 CO 0.00 0.43 0.26 0.00 1.06 0.00 0.00 176.91 178.66 3hw5 h ALA 183 N 1.31 1.26 -0.07 6.32 0.00 -0.18 0.78 119.26 128.68 3hw5 h ALA 183 Ca 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hw5 h ALA 183 Cb 0.13 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3hw5 h ALA 183 CO -0.16 0.55 0.01 1.03 0.00 0.00 0.00 179.25 180.69 3hw5 h SER 184 N 0.92 0.08 -0.52 0.00 0.87 -0.90 0.41 113.55 114.41 3hw5 h SER 184 Ca 0.22 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 3hw5 h SER 184 Cb 0.17 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3hw5 h SER 184 CO -0.02 0.09 0.00 0.54 -0.53 0.00 0.00 176.83 176.91 3hw5 n ARG 185 N -4.49 2.46 -1.81 2.24 1.74 -0.61 -4.95 116.66 111.24 3hw5 n ARG 185 Ca -0.02 -2.24 -0.15 0.00 -0.77 0.00 0.00 57.85 54.67 3hw5 n ARG 185 Cb 0.11 -1.51 -0.04 0.00 -1.02 0.00 0.00 32.46 30.01 3hw5 n ARG 185 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hw5 n GLY 186 N 1.50 0.75 0.00 -0.13 0.00 0.13 -0.54 105.19 106.91 3hw5 n GLY 186 Ca 0.21 -0.29 0.10 0.00 0.00 0.00 0.00 46.02 46.04 3hw5 n GLY 186 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hw5 n LEU 187 N -1.91 0.73 -0.04 0.99 7.99 0.17 -4.52 117.00 120.41 3hw5 n LEU 187 Ca -0.16 -0.36 -0.13 0.00 -0.01 0.00 0.00 56.01 55.35 3hw5 n LEU 187 Cb 0.56 -0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.78 3hw5 n LEU 187 CO 0.22 0.18 0.60 -0.25 -1.51 0.00 0.00 177.39 176.63 3hw5 h TRP 188 N 0.00 0.30 -0.63 -1.77 2.91 -1.84 -2.54 115.95 112.38 3hw5 h TRP 188 Ca 0.00 -0.09 0.13 0.00 1.13 0.00 0.00 58.89 60.06 3hw5 h TRP 188 Cb 0.63 -0.06 -0.12 0.00 -0.51 0.00 0.00 29.16 29.11 3hw5 h TRP 188 CO 0.00 0.68 -0.11 0.22 -1.03 0.00 0.00 178.44 178.20 3hw5 h ASP 189 N -0.17 -0.49 -0.10 2.65 1.82 -1.92 0.76 116.42 118.97 3hw5 h ASP 189 Ca 0.01 0.18 -0.05 0.00 -0.39 0.00 0.00 57.03 56.79 3hw5 h ASP 189 Cb 0.63 0.36 -0.00 0.00 0.68 0.00 0.00 39.33 41.00 3hw5 h ASP 189 CO 0.03 -0.19 -0.12 -1.28 -1.61 0.00 0.00 179.24 176.07 3hw5 h SER 190 N 0.03 0.27 -0.36 2.28 0.87 -1.85 -2.86 113.55 111.93 3hw5 h SER 190 Ca 0.31 -0.51 0.06 0.00 -1.23 0.00 0.00 61.79 60.42 3hw5 h SER 190 Cb 0.49 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.33 3hw5 h SER 190 CO -0.62 0.73 0.06 0.15 -0.53 0.00 0.00 176.83 176.62 3hw5 h PHE 191 N -0.17 0.09 0.00 2.24 3.57 -0.96 -2.18 116.94 119.53 3hw5 h PHE 191 Ca 0.01 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3hw5 h PHE 191 Cb 0.66 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 3hw5 h PHE 191 CO 0.10 -0.00 -0.17 0.07 -2.23 0.00 0.00 178.31 176.08 3hw5 h ARG 192 N 0.17 0.00 0.00 1.11 0.11 -0.92 -2.99 114.38 111.87 3hw5 h ARG 192 Ca 0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.25 3hw5 h ARG 192 Cb 0.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 3hw5 h ARG 192 CO -0.24 0.17 -0.79 1.04 0.10 0.00 0.00 179.97 180.25 3hw5 n GLN 193 N -3.57 0.10 -0.26 0.08 6.02 -0.97 -4.51 117.38 114.27 3hw5 n GLN 193 Ca -0.01 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.08 3hw5 n GLN 193 Cb 0.31 -1.54 0.27 0.00 1.02 0.00 0.00 30.24 30.30 3hw5 n GLN 193 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3hw5 n SER 194 N -1.67 3.13 -4.68 1.08 3.41 -0.86 -4.93 113.62 109.10 3hw5 n SER 194 Ca 0.04 -1.97 -0.42 0.00 -0.26 0.00 0.00 58.87 56.26 3hw5 n SER 194 Cb 0.37 -0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 3hw5 n SER 194 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3hw5 s GLU 195 N -1.31 4.37 0.34 4.33 2.12 -1.26 -5.04 118.70 122.25 3hw5 s GLU 195 Ca 0.39 1.17 0.08 0.00 0.36 0.00 0.00 54.97 56.98 3hw5 s GLU 195 Cb 0.21 -3.55 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 3hw5 s GLU 195 CO 0.28 -0.28 0.22 -0.98 -0.54 0.00 0.00 175.26 173.96 3hw5 s ARG 196 N 1.95 2.55 0.63 4.30 1.70 -1.26 -5.01 118.95 123.81 3hw5 s ARG 196 Ca 0.43 -1.42 -0.19 0.00 -0.47 0.00 0.00 55.73 54.08 3hw5 s ARG 196 Cb -0.17 -2.33 -0.02 0.00 -0.57 0.00 0.00 34.95 31.86 3hw5 s ARG 196 CO 0.16 0.10 1.29 0.20 -1.08 0.00 0.00 175.30 175.97 3hw5 s GLY 197 N -3.92 2.85 0.00 3.88 0.00 -1.26 -5.16 107.32 103.71 3hw5 s GLY 197 Ca 0.39 1.21 0.21 0.00 0.00 0.00 0.00 44.72 46.53 3hw5 s GLY 197 CO 0.25 1.65 1.62 -1.84 0.00 0.00 0.00 173.10 174.78