#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hw3 s LEU -2 N 0.00 2.05 0.68 1.53 2.96 -1.26 -5.04 118.68 119.61 3hw3 s LEU -2 Ca 0.00 -0.90 -0.11 0.00 -0.22 0.00 0.00 54.13 52.90 3hw3 s LEU -2 Cb 0.00 -1.05 0.00 0.00 0.50 0.00 0.00 46.19 45.65 3hw3 s LEU -2 CO 0.00 -0.20 1.06 -0.83 -1.32 0.00 0.00 176.35 175.05 3hw3 s GLY -1 N 1.52 1.66 0.37 7.98 0.00 -1.26 -5.07 107.32 112.52 3hw3 s GLY -1 Ca -0.02 -0.00 -0.10 0.00 0.00 0.00 0.00 44.72 44.59 3hw3 s GLY -1 CO -0.07 0.31 0.72 -1.35 0.00 0.00 0.00 173.10 172.71 3hw3 s SER 0 N -3.93 6.55 0.20 1.64 1.04 -1.26 -4.97 113.70 112.97 3hw3 s SER 0 Ca 0.57 1.08 -0.10 0.00 0.48 0.00 0.00 55.95 57.98 3hw3 s SER 0 Cb -0.13 -2.30 0.22 0.00 0.10 0.00 0.00 66.02 63.91 3hw3 s SER 0 CO 0.55 -0.33 1.78 -0.03 0.98 0.00 0.00 173.24 176.19 3hw3 h MET 1 N 1.52 0.53 -0.78 4.02 4.05 -1.97 -1.51 114.93 120.79 3hw3 h MET 1 Ca -0.47 -0.03 0.03 0.00 -0.28 0.00 0.00 59.70 58.95 3hw3 h MET 1 Cb 1.18 -0.12 -0.05 0.00 -0.80 0.00 0.00 31.60 31.82 3hw3 h MET 1 CO 0.65 0.35 0.49 1.49 0.23 0.00 0.00 176.91 180.12 3hw3 h GLU 2 N 0.54 0.93 -0.67 0.39 4.81 -1.90 -0.52 114.58 118.17 3hw3 h GLU 2 Ca 0.28 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 3hw3 h GLU 2 Cb 0.23 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 3hw3 h GLU 2 CO -0.21 0.61 0.35 -0.44 -0.73 0.00 0.00 179.01 178.60 3hw3 h ASP 3 N 0.95 0.85 0.21 1.04 3.32 -1.89 -2.62 116.42 118.29 3hw3 h ASP 3 Ca 0.32 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.26 3hw3 h ASP 3 Cb 0.03 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 3hw3 h ASP 3 CO -0.12 0.72 -0.26 0.15 -1.72 0.00 0.00 179.24 178.01 3hw3 h PHE 4 N 0.92 -0.69 -0.24 4.55 3.57 -0.48 -2.19 116.94 122.39 3hw3 h PHE 4 Ca 0.23 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.80 3hw3 h PHE 4 Cb 0.07 0.27 -0.07 0.00 2.79 0.00 0.00 35.95 39.01 3hw3 h PHE 4 CO -0.00 -0.37 -0.27 0.28 -2.23 0.00 0.00 178.31 175.72 3hw3 h VAL 5 N -0.52 0.34 0.00 1.41 2.07 -1.03 1.08 116.25 119.61 3hw3 h VAL 5 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 3hw3 h VAL 5 Cb 0.50 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3hw3 h VAL 5 CO -0.09 0.00 -0.03 0.03 0.02 0.00 0.00 177.57 177.50 3hw3 h ARG 6 N -0.28 0.00 0.21 1.57 3.08 -1.43 -1.37 114.38 116.16 3hw3 h ARG 6 Ca 0.13 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.84 3hw3 h ARG 6 Cb 0.49 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.56 3hw3 h ARG 6 CO -0.40 0.03 -1.60 0.37 -1.07 0.00 0.00 179.97 177.30 3hw3 h GLN 7 N 0.00 0.45 -0.02 0.04 -0.00 -0.66 -3.40 115.11 111.52 3hw3 h GLN 7 Ca -0.00 -0.76 -0.19 0.00 -0.00 0.00 0.00 58.65 57.69 3hw3 h GLN 7 Cb 0.06 0.28 -0.01 0.00 0.00 0.00 0.00 27.48 27.81 3hw3 h GLN 7 CO 0.00 1.36 -0.84 0.00 0.00 0.00 0.00 178.83 179.35 3hw3 s PHE 9 N -3.33 3.00 0.32 0.00 0.40 -0.64 -5.07 117.98 112.66 3hw3 s PHE 9 Ca -0.04 -0.05 -0.29 0.00 -0.60 0.00 0.00 56.93 55.96 3hw3 s PHE 9 Cb 0.10 -1.50 -0.10 0.00 0.51 0.00 0.00 43.02 42.03 3hw3 s PHE 9 CO 0.83 0.50 1.38 1.21 0.70 0.00 0.00 175.22 179.85 3hw3 s ASN 10 N -2.66 6.64 0.55 1.36 3.84 -1.26 -4.79 114.94 118.63 3hw3 s ASN 10 Ca 0.28 2.77 0.22 0.00 0.21 0.00 0.00 52.86 56.34 3hw3 s ASN 10 Cb -0.11 -2.65 1.48 0.00 -0.55 0.00 0.00 41.25 39.43 3hw3 s ASN 10 CO 0.20 -0.66 2.16 1.55 -2.79 0.00 0.00 177.10 177.56 3hw3 h PRO 11 N 3.68 0.00 -0.34 0.43 0.13 -1.98 0.61 132.00 134.53 3hw3 h PRO 11 Ca -0.49 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.68 3hw3 h PRO 11 Cb 1.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 3hw3 h PRO 11 CO 0.68 0.00 0.13 1.98 -0.23 0.00 0.00 178.00 180.56 3hw3 h MET 12 N 0.00 0.27 -0.00 0.86 -1.53 -1.99 0.52 114.93 113.06 3hw3 h MET 12 Ca 0.03 -0.02 -0.00 0.00 -3.44 0.00 0.00 59.70 56.28 3hw3 h MET 12 Cb 0.15 -0.06 -0.00 0.00 -0.55 0.00 0.00 31.60 31.14 3hw3 h MET 12 CO -0.00 0.18 -0.00 0.82 0.14 0.00 0.00 176.91 178.05 3hw3 h ILE 13 N 0.28 1.27 -0.63 1.77 2.04 -1.30 -2.17 117.51 118.78 3hw3 h ILE 13 Ca 0.15 -0.80 0.11 0.00 1.00 0.00 0.00 64.86 65.32 3hw3 h ILE 13 Cb 0.11 1.82 -0.08 0.00 -0.74 0.00 0.00 36.82 37.93 3hw3 h ILE 13 CO -0.15 0.21 0.19 0.58 0.00 0.00 0.00 178.15 178.99 3hw3 h VAL 14 N -0.34 0.69 -0.79 1.67 2.07 -1.24 0.68 116.25 119.00 3hw3 h VAL 14 Ca 0.00 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.43 3hw3 h VAL 14 Cb 0.34 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 3hw3 h VAL 14 CO 0.00 0.06 0.51 -0.08 0.02 0.00 0.00 177.57 178.08 3hw3 h GLU 15 N 0.35 0.96 -0.02 1.57 4.81 -0.80 -0.37 114.58 121.08 3hw3 h GLU 15 Ca 0.33 -0.06 -0.20 0.00 -0.13 0.00 0.00 59.36 59.30 3hw3 h GLU 15 Cb 0.46 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3hw3 h GLU 15 CO -0.37 0.64 -0.84 -0.07 -0.73 0.00 0.00 179.01 177.64 3hw3 h LEU 16 N 0.99 0.36 -0.49 1.64 3.38 -0.78 -0.41 115.31 120.00 3hw3 h LEU 16 Ca 0.31 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3hw3 h LEU 16 Cb -0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3hw3 h LEU 16 CO -0.11 1.05 0.23 0.00 0.09 0.00 0.00 178.44 179.70 3hw3 h ALA 17 N 0.93 0.63 0.56 1.53 0.00 -0.57 0.12 119.26 122.46 3hw3 h ALA 17 Ca -0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3hw3 h ALA 17 Cb 1.45 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.05 3hw3 h ALA 17 CO 0.14 0.20 -0.27 0.93 0.00 0.00 0.00 179.25 180.25 3hw3 h GLU 18 N 0.65 -0.72 -0.78 0.00 5.08 -0.88 -0.42 114.58 117.50 3hw3 h GLU 18 Ca 0.17 0.05 0.18 0.00 -1.00 0.00 0.00 59.36 58.76 3hw3 h GLU 18 Cb 0.13 0.16 -0.13 0.00 0.50 0.00 0.00 28.75 29.42 3hw3 h GLU 18 CO -0.02 -0.48 0.11 0.87 -1.00 0.00 0.00 179.01 178.49 3hw3 h LYS 19 N -0.75 0.17 -0.54 2.33 1.57 -1.00 0.23 116.57 118.58 3hw3 h LYS 19 Ca -0.08 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 3hw3 h LYS 19 Cb 0.58 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 3hw3 h LYS 19 CO 0.13 0.11 -0.06 0.00 -0.57 0.00 0.00 179.45 179.06 3hw3 h ALA 20 N 1.70 0.87 -0.31 3.86 0.00 -0.61 -1.82 119.26 122.94 3hw3 h ALA 20 Ca 0.45 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3hw3 h ALA 20 Cb 0.82 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3hw3 h ALA 20 CO -0.62 0.65 -0.05 0.52 0.00 0.00 0.00 179.25 179.75 3hw3 h MET 21 N 0.89 0.59 0.00 0.00 2.86 -0.49 -3.31 114.93 115.46 3hw3 h MET 21 Ca 0.15 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3hw3 h MET 21 Cb 0.60 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.22 3hw3 h MET 21 CO 0.04 0.76 0.00 0.87 1.06 0.00 0.00 176.91 179.64 3hw3 h LYS 22 N 0.37 0.00 -0.01 1.72 1.57 -0.27 -0.92 116.57 119.02 3hw3 h LYS 22 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3hw3 h LYS 22 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3hw3 h LYS 22 CO 0.03 0.00 -0.17 -0.85 -0.57 0.00 0.00 179.45 177.89 3hw3 n GLU 23 N -2.95 1.41 0.00 3.15 0.28 -0.71 -3.62 120.64 118.20 3hw3 n GLU 23 Ca 0.00 -0.96 0.05 0.00 -0.16 0.00 0.00 57.16 56.09 3hw3 n GLU 23 Cb 0.24 -1.48 0.02 0.00 1.43 0.00 0.00 31.44 31.65 3hw3 n GLU 23 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3hw3 n TYR 24 N 0.05 0.00 -1.00 -1.84 4.02 -0.83 -5.01 117.16 112.55 3hw3 n TYR 24 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 3hw3 n TYR 24 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 3hw3 n TYR 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hw3 n GLY 25 N 0.72 0.72 3.77 2.72 0.00 -0.46 -5.02 105.19 107.64 3hw3 n GLY 25 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3hw3 n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hw3 s GLU 26 N -0.03 4.56 -0.21 1.61 2.02 -0.56 -4.96 118.70 121.14 3hw3 s GLU 26 Ca 0.00 1.49 -0.08 0.00 0.02 0.00 0.00 54.97 56.40 3hw3 s GLU 26 Cb 0.00 -2.92 -0.04 0.00 0.10 0.00 0.00 34.13 31.27 3hw3 s GLU 26 CO 0.00 0.23 0.08 0.34 0.02 0.00 0.00 175.26 175.93 3hw3 s ASP 27 N -1.38 5.56 0.59 -0.19 3.68 -1.26 -3.73 116.67 119.94 3hw3 s ASP 27 Ca 0.49 -0.01 0.30 0.00 2.13 0.00 0.00 52.55 55.46 3hw3 s ASP 27 Cb -0.23 -1.98 1.77 0.00 -1.45 0.00 0.00 42.92 41.03 3hw3 s ASP 27 CO 0.29 0.09 2.19 1.55 0.13 0.00 0.00 175.17 179.42 3hw3 h PRO 28 N 7.33 0.00 0.00 4.34 0.13 -1.93 0.68 132.00 142.55 3hw3 h PRO 28 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3hw3 h PRO 28 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3hw3 h PRO 28 CO 0.65 0.00 -0.05 0.87 -0.23 0.00 0.00 178.00 179.24 3hw3 h LYS 29 N 0.00 0.00 0.00 0.86 1.57 -1.99 -3.37 116.57 113.65 3hw3 h LYS 29 Ca 0.04 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 3hw3 h LYS 29 Cb 0.22 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3hw3 h LYS 29 CO -0.00 0.00 -1.22 -0.89 -0.57 0.00 0.00 179.45 176.77 3hw3 n ILE 30 N -2.32 1.10 -2.88 1.86 5.41 -0.63 -4.76 119.36 117.14 3hw3 n ILE 30 Ca 0.05 0.02 -0.44 0.00 1.00 0.00 0.00 62.75 63.38 3hw3 n ILE 30 Cb 0.44 -1.85 0.00 0.00 -0.71 0.00 0.00 39.64 37.52 3hw3 n ILE 30 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3hw3 n GLU 31 N -3.85 3.46 0.07 0.38 1.02 0.14 -4.79 120.64 117.07 3hw3 n GLU 31 Ca -0.19 -3.87 -0.07 0.00 -0.02 0.00 0.00 57.16 53.01 3hw3 n GLU 31 Cb 0.50 -2.96 -0.08 0.00 -0.02 0.00 0.00 31.44 28.88 3hw3 n GLU 31 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hw3 h THR 32 N 4.36 1.66 -0.26 2.62 1.03 -1.82 -1.20 112.91 119.31 3hw3 h THR 32 Ca 0.32 -3.21 -0.06 0.00 -0.01 0.00 0.00 66.41 63.45 3hw3 h THR 32 Cb 0.82 2.75 -0.01 0.00 -1.07 0.00 0.00 68.15 70.65 3hw3 h THR 32 CO 1.29 0.92 -0.06 0.78 -0.01 0.00 0.00 175.52 178.44 3hw3 h ASN 33 N 0.01 0.51 -0.45 0.00 2.35 -1.92 -2.20 115.58 113.88 3hw3 h ASN 33 Ca -0.02 -0.37 0.05 0.00 -0.55 0.00 0.00 56.30 55.42 3hw3 h ASN 33 Cb 1.69 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 39.87 3hw3 h ASN 33 CO 0.13 0.76 0.17 0.50 -1.65 0.00 0.00 177.43 177.34 3hw3 h LYS 34 N 0.25 0.34 -0.27 0.81 1.63 -1.94 -0.43 116.57 116.97 3hw3 h LYS 34 Ca 0.07 -0.02 0.06 0.00 -0.85 0.00 0.00 60.65 59.91 3hw3 h LYS 34 Cb 0.54 -0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 32.03 3hw3 h LYS 34 CO 0.03 0.23 -0.13 0.35 -3.45 0.00 0.00 179.45 176.47 3hw3 h PHE 35 N 0.35 -0.32 -0.63 1.91 -0.00 -1.12 0.36 116.94 117.49 3hw3 h PHE 35 Ca 0.21 0.03 -0.04 0.00 -0.00 0.00 0.00 57.97 58.17 3hw3 h PHE 35 Cb 0.19 0.18 -0.03 0.00 -0.00 0.00 0.00 35.95 36.30 3hw3 h PHE 35 CO -0.15 -0.20 0.24 0.00 -0.00 0.00 0.00 178.31 178.20 3hw3 h ALA 36 N 1.12 0.82 -0.67 2.41 0.00 -1.11 -2.24 119.26 119.58 3hw3 h ALA 36 Ca 0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3hw3 h ALA 36 Cb 0.31 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3hw3 h ALA 36 CO -0.33 0.45 0.28 0.00 0.00 0.00 0.00 179.25 179.65 3hw3 h ALA 37 N 1.09 1.23 -0.27 0.00 0.00 -0.10 -1.37 119.26 119.85 3hw3 h ALA 37 Ca 0.21 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 3hw3 h ALA 37 Cb 0.23 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hw3 h ALA 37 CO -0.01 0.57 -0.44 0.82 0.00 0.00 0.00 179.25 180.19 3hw3 h ILE 38 N 0.97 1.30 -0.38 0.00 2.04 -0.84 -0.48 117.51 120.12 3hw3 h ILE 38 Ca 0.23 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 64.46 3hw3 h ILE 38 Cb 0.16 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 3hw3 h ILE 38 CO -0.02 0.52 0.24 0.00 0.00 0.00 0.00 178.15 178.89 3hw3 h THR 40 N 0.50 0.67 -0.35 0.00 2.02 -1.14 -0.92 112.91 113.69 3hw3 h THR 40 Ca 0.14 -0.01 0.05 0.00 0.77 0.00 0.00 66.41 67.36 3hw3 h THR 40 Cb -0.03 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 3hw3 h THR 40 CO -0.03 0.00 0.08 -0.74 0.37 0.00 0.00 175.52 175.21 3hw3 h HIS 41 N -0.46 0.14 -0.13 3.16 6.17 -0.96 -1.90 115.15 121.17 3hw3 h HIS 41 Ca -0.05 0.02 0.04 0.00 0.71 0.00 0.00 60.37 61.09 3hw3 h HIS 41 Cb 0.35 -0.01 -0.04 0.00 2.52 0.00 0.00 27.41 30.23 3hw3 h HIS 41 CO -0.05 0.03 -0.15 -0.07 0.71 0.00 0.00 177.93 178.41 3hw3 h LEU 42 N 0.21 -0.45 -0.78 0.26 4.07 -0.66 -0.32 115.31 117.64 3hw3 h LEU 42 Ca 0.16 0.08 0.13 0.00 0.08 0.00 0.00 57.88 58.34 3hw3 h LEU 42 Cb 0.18 0.22 -0.09 0.00 1.08 0.00 0.00 40.66 42.04 3hw3 h LEU 42 CO -0.20 -0.19 0.36 -0.08 -1.08 0.00 0.00 178.44 177.24 3hw3 h GLU 43 N -0.18 0.52 -0.35 1.13 4.81 -0.84 -0.83 114.58 118.84 3hw3 h GLU 43 Ca 0.09 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 3hw3 h GLU 43 Cb 0.31 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3hw3 h GLU 43 CO -0.23 0.35 -0.08 0.28 -0.73 0.00 0.00 179.01 178.60 3hw3 h VAL 44 N 0.54 1.28 -0.45 0.32 2.07 -0.94 -0.60 116.25 118.46 3hw3 h VAL 44 Ca 0.42 -1.13 0.06 0.00 0.82 0.00 0.00 66.70 66.87 3hw3 h VAL 44 Cb 0.58 1.30 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 3hw3 h VAL 44 CO -0.36 0.37 0.13 0.00 0.02 0.00 0.00 177.57 177.73 3hw3 h PHE 46 N 0.29 0.55 -0.95 0.00 0.04 -0.67 -2.26 116.94 113.93 3hw3 h PHE 46 Ca 0.22 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.00 3hw3 h PHE 46 Cb 0.24 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 38.16 3hw3 h PHE 46 CO -0.18 0.42 0.62 0.52 -0.60 0.00 0.00 178.31 179.09 3hw3 h MET 47 N 0.52 1.19 -0.87 1.51 2.86 -0.94 -2.87 114.93 116.33 3hw3 h MET 47 Ca 0.14 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 3hw3 h MET 47 Cb 0.05 -0.27 -0.04 0.00 0.06 0.00 0.00 31.60 31.40 3hw3 h MET 47 CO -0.02 0.79 0.45 -0.92 1.06 0.00 0.00 176.91 178.27 3hw3 h TYR 48 N 1.22 1.23 -4.17 -0.22 5.03 -0.78 -3.50 116.97 115.78 3hw3 h TYR 48 Ca 0.37 -0.04 -0.47 0.00 2.58 0.00 0.00 58.73 61.17 3hw3 h TYR 48 Cb -0.04 -0.39 0.02 0.00 1.55 0.00 0.00 36.73 37.87 3hw3 h TYR 48 CO -0.01 0.86 0.37 -1.54 -1.32 0.00 0.00 178.16 176.53 3hw3 s SER 49 N -6.28 6.48 0.00 -2.11 1.04 -0.88 -5.03 113.70 106.94 3hw3 s SER 49 Ca -0.12 1.65 0.00 0.00 0.48 0.00 0.00 55.95 57.96 3hw3 s SER 49 Cb 0.17 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.77 3hw3 s SER 49 CO 0.83 -0.68 0.00 -1.14 0.98 0.00 0.00 173.24 173.23 3hw3 n ARG 75 N -1.53 0.00 -4.80 4.02 0.63 -1.26 -5.01 116.66 108.71 3hw3 n ARG 75 Ca 0.07 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.67 3hw3 n ARG 75 Cb 0.54 -0.67 -0.13 0.00 0.45 0.00 0.00 32.46 32.64 3hw3 n ARG 75 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3hw3 s PHE 76 N 0.00 2.78 -0.13 -0.14 0.40 -1.26 -0.83 117.98 118.80 3hw3 s PHE 76 Ca 0.00 -0.23 -0.14 0.00 -0.60 0.00 0.00 56.93 55.96 3hw3 s PHE 76 Cb 0.00 -1.70 -0.05 0.00 0.51 0.00 0.00 43.02 41.78 3hw3 s PHE 76 CO 0.00 0.12 0.31 -2.00 0.70 0.00 0.00 175.22 174.36 3hw3 s GLU 77 N -0.48 4.12 -0.11 0.44 2.56 -0.31 -4.96 118.70 119.97 3hw3 s GLU 77 Ca 0.06 0.16 -0.20 0.00 0.00 0.00 0.00 54.97 54.99 3hw3 s GLU 77 Cb -0.12 -3.37 -0.04 0.00 2.00 0.00 0.00 34.13 32.60 3hw3 s GLU 77 CO 0.02 0.36 0.55 0.42 -0.56 0.00 0.00 175.26 176.05 3hw3 s ILE 78 N 0.07 5.14 -0.09 -3.70 1.01 -1.26 -1.60 121.20 120.77 3hw3 s ILE 78 Ca 0.18 1.10 -0.00 0.00 0.00 0.00 0.00 60.65 61.93 3hw3 s ILE 78 Cb -0.14 -3.88 -0.06 0.00 0.01 0.00 0.00 42.46 38.39 3hw3 s ILE 78 CO 0.06 0.30 -0.09 -0.38 0.00 0.00 0.00 174.94 174.83 3hw3 n ILE 79 N 3.73 0.52 -1.68 2.92 5.41 -0.54 -4.95 119.36 124.77 3hw3 n ILE 79 Ca -0.05 -0.19 -0.38 0.00 1.00 0.00 0.00 62.75 63.13 3hw3 n ILE 79 Cb 0.51 -0.97 0.05 0.00 -0.71 0.00 0.00 39.64 38.52 3hw3 n ILE 79 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3hw3 n GLU 80 N -2.89 1.24 0.00 0.38 4.07 -0.33 -2.94 120.64 120.17 3hw3 n GLU 80 Ca -0.17 0.47 0.00 0.00 -0.06 0.00 0.00 57.16 57.40 3hw3 n GLU 80 Cb 0.66 -2.37 0.00 0.00 -0.06 0.00 0.00 31.44 29.68 3hw3 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hw3 n GLY 81 N 1.03 2.11 3.90 8.31 0.00 -1.26 -5.05 105.19 114.23 3hw3 n GLY 81 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3hw3 n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hw3 s ARG 82 N -0.73 3.63 0.79 1.61 0.52 -1.15 -5.00 118.95 118.61 3hw3 s ARG 82 Ca 0.00 -0.06 -0.13 0.00 -0.52 0.00 0.00 55.73 55.02 3hw3 s ARG 82 Cb 0.00 -2.74 0.07 0.00 0.52 0.00 0.00 34.95 32.81 3hw3 s ARG 82 CO 0.00 0.33 1.17 0.16 0.02 0.00 0.00 175.30 176.98 3hw3 s ASP 83 N -2.88 3.87 0.30 0.23 3.84 -1.26 -4.63 116.67 116.14 3hw3 s ASP 83 Ca 0.42 2.24 0.06 0.00 -0.00 0.00 0.00 52.55 55.28 3hw3 s ASP 83 Cb -0.11 -2.57 0.79 0.00 -1.38 0.00 0.00 42.92 39.65 3hw3 s ASP 83 CO 0.27 -2.47 1.69 0.03 -0.00 0.00 0.00 175.17 174.69 3hw3 h ARG 84 N -0.84 0.39 0.05 2.11 2.47 -1.97 0.20 114.38 116.79 3hw3 h ARG 84 Ca -0.46 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.24 3hw3 h ARG 84 Cb 1.28 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 3hw3 h ARG 84 CO 0.48 0.26 -0.03 1.15 0.56 0.00 0.00 179.97 182.39 3hw3 h THR 85 N 0.40 1.16 -0.63 2.04 2.02 -1.99 -1.39 112.91 114.53 3hw3 h THR 85 Ca 0.59 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 3hw3 h THR 85 Cb 1.16 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 69.18 3hw3 h THR 85 CO -0.54 0.18 0.37 -0.03 0.37 0.00 0.00 175.52 175.87 3hw3 h MET 86 N -0.39 0.86 -0.00 6.66 -1.53 -1.74 -2.08 114.93 116.70 3hw3 h MET 86 Ca -0.01 -0.08 0.00 0.00 -3.44 0.00 0.00 59.70 56.17 3hw3 h MET 86 Cb 0.35 -0.18 -0.00 0.00 -0.55 0.00 0.00 31.60 31.22 3hw3 h MET 86 CO 0.01 0.62 -0.01 0.00 0.14 0.00 0.00 176.91 177.67 3hw3 h ALA 87 N 1.19 -0.01 0.00 0.39 0.00 -0.57 -1.84 119.26 118.43 3hw3 h ALA 87 Ca 0.22 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 3hw3 h ALA 87 Cb -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3hw3 h ALA 87 CO -0.04 -0.51 -0.36 -1.49 0.00 0.00 0.00 179.25 176.85 3hw3 h TRP 88 N -0.02 0.00 -0.08 0.00 4.06 -1.23 -2.01 115.95 116.67 3hw3 h TRP 88 Ca 0.01 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.81 3hw3 h TRP 88 Cb 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.18 3hw3 h TRP 88 CO -0.09 0.36 -0.61 1.79 -3.56 0.00 0.00 178.44 176.33 3hw3 h THR 89 N 0.00 1.38 -0.34 1.49 1.35 -0.99 0.11 112.91 115.91 3hw3 h THR 89 Ca -0.00 -1.98 -0.10 0.00 -0.55 0.00 0.00 66.41 63.77 3hw3 h THR 89 Cb 0.68 2.00 -0.01 0.00 -1.73 0.00 0.00 68.15 69.09 3hw3 h THR 89 CO 0.05 0.59 -0.18 1.62 -0.25 0.00 0.00 175.52 177.34 3hw3 h VAL 90 N 0.20 1.29 -0.37 6.82 3.04 -1.28 -1.95 116.25 123.99 3hw3 h VAL 90 Ca -0.01 -1.31 -0.00 0.00 -1.01 0.00 0.00 66.70 64.37 3hw3 h VAL 90 Cb 1.12 1.40 -0.02 0.00 -2.01 0.00 0.00 31.29 31.78 3hw3 h VAL 90 CO 0.10 0.43 0.23 0.58 -1.01 0.00 0.00 177.57 177.89 3hw3 h VAL 91 N 0.51 1.12 -0.73 1.51 2.07 -1.21 -1.60 116.25 117.92 3hw3 h VAL 91 Ca 0.07 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 3hw3 h VAL 91 Cb 0.73 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3hw3 h VAL 91 CO 0.05 0.12 0.21 0.78 0.02 0.00 0.00 177.57 178.75 3hw3 h ASN 92 N 0.49 1.08 -0.57 0.57 -0.26 -0.78 -1.24 115.58 114.87 3hw3 h ASN 92 Ca 0.13 -0.22 -0.05 0.00 -0.56 0.00 0.00 56.30 55.61 3hw3 h ASN 92 Cb -0.01 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 36.95 3hw3 h ASN 92 CO -0.03 1.02 0.18 -1.28 -1.06 0.00 0.00 177.43 176.26 3hw3 h SER 93 N 1.10 0.83 -0.46 5.81 0.87 -1.14 -0.79 113.55 119.76 3hw3 h SER 93 Ca 0.23 -0.21 0.02 0.00 -1.23 0.00 0.00 61.79 60.61 3hw3 h SER 93 Cb 0.33 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 3hw3 h SER 93 CO -0.00 0.81 0.27 0.40 -0.53 0.00 0.00 176.83 177.78 3hw3 h ILE 94 N 0.80 1.04 -0.76 2.23 2.04 -1.12 -1.81 117.51 119.93 3hw3 h ILE 94 Ca 0.18 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 3hw3 h ILE 94 Cb 0.28 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 3hw3 h ILE 94 CO -0.01 0.10 0.36 0.00 0.00 0.00 0.00 178.15 178.60 3hw3 h ASN 96 N 1.08 0.59 0.05 0.00 2.35 -0.86 -0.21 115.58 118.57 3hw3 h ASN 96 Ca 0.26 -0.28 -0.22 0.00 -0.55 0.00 0.00 56.30 55.51 3hw3 h ASN 96 Cb 0.12 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3hw3 h ASN 96 CO -0.03 0.97 -1.18 0.74 -1.65 0.00 0.00 177.43 176.28 3hw3 h THR 97 N 0.43 1.07 0.00 2.81 2.02 -1.11 -3.35 112.91 114.78 3hw3 h THR 97 Ca 0.03 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 64.91 3hw3 h THR 97 Cb 0.99 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.99 3hw3 h THR 97 CO 0.09 0.54 -0.57 0.71 0.37 0.00 0.00 175.52 176.66 3hw3 h THR 98 N -0.68 0.00 0.00 3.16 1.35 -0.99 -3.48 112.91 112.28 3hw3 h THR 98 Ca -0.29 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 3hw3 h THR 98 Cb 1.47 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 3hw3 h THR 98 CO -0.06 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.82 3hw3 n GLY 99 N 1.32 1.83 3.76 5.82 0.00 -0.09 -5.01 105.19 112.82 3hw3 n GLY 99 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3hw3 n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hw3 s VAL 100 N -3.54 2.15 0.14 1.61 0.11 -1.23 -4.89 120.40 114.75 3hw3 s VAL 100 Ca 0.00 0.13 -0.34 0.00 -2.93 0.00 0.00 61.98 58.84 3hw3 s VAL 100 Cb 0.00 -3.07 -0.16 0.00 -1.53 0.00 0.00 36.38 31.62 3hw3 s VAL 100 CO 0.00 0.01 1.22 1.21 -3.33 0.00 0.00 175.10 174.21 3hw3 n GLU 101 N -0.45 1.10 -2.20 1.54 2.13 -1.26 -4.54 120.64 116.97 3hw3 n GLU 101 Ca 0.07 0.39 -0.42 0.00 0.66 0.00 0.00 57.16 57.86 3hw3 n GLU 101 Cb 0.43 -1.94 -0.03 0.00 0.27 0.00 0.00 31.44 30.17 3hw3 n GLU 101 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3hw3 s LYS 102 N -0.06 4.31 0.52 5.31 2.20 -1.26 -4.99 119.74 125.77 3hw3 s LYS 102 Ca 0.78 2.03 -0.19 0.00 -0.36 0.00 0.00 55.97 58.23 3hw3 s LYS 102 Cb -0.90 -3.36 -0.07 0.00 -1.51 0.00 0.00 37.83 31.98 3hw3 s LYS 102 CO 0.50 -0.47 1.06 -1.25 -0.36 0.00 0.00 175.35 174.83 3hw3 s PRO 103 N 1.53 3.61 0.15 4.03 0.04 -1.26 -4.96 135.00 138.13 3hw3 s PRO 103 Ca 0.64 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 62.93 3hw3 s PRO 103 Cb -0.35 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.15 3hw3 s PRO 103 CO 0.29 -0.60 1.61 -0.22 0.04 0.00 0.00 177.00 178.13 3hw3 h LYS 104 N 1.24 0.87 -6.49 4.56 3.64 -1.94 -3.44 116.57 115.00 3hw3 h LYS 104 Ca -0.49 -0.26 -0.70 0.00 -1.27 0.00 0.00 60.65 57.93 3hw3 h LYS 104 Cb 1.23 -0.09 -0.27 0.00 -0.41 0.00 0.00 32.23 32.69 3hw3 h LYS 104 CO 0.58 0.89 -0.84 -0.06 -2.27 0.00 0.00 179.45 177.75 3hw3 s PHE 105 N -5.08 2.49 0.10 1.91 0.08 -1.26 -5.08 117.98 111.14 3hw3 s PHE 105 Ca -0.12 -0.32 -0.32 0.00 0.12 0.00 0.00 56.93 56.29 3hw3 s PHE 105 Cb 0.12 -1.55 -0.12 0.00 -0.57 0.00 0.00 43.02 40.90 3hw3 s PHE 105 CO 0.82 0.07 1.78 1.28 -0.10 0.00 0.00 175.22 179.06 3hw3 n LEU 106 N 2.35 3.72 0.00 -0.37 4.77 -1.26 -5.00 117.00 121.20 3hw3 n LEU 106 Ca -0.17 1.01 -0.05 0.00 -0.03 0.00 0.00 56.01 56.78 3hw3 n LEU 106 Cb 0.52 -1.49 0.02 0.00 -2.33 0.00 0.00 43.42 40.14 3hw3 n LEU 106 CO 0.24 0.03 0.11 -0.81 -1.33 0.00 0.00 177.39 175.63 3hw3 n PRO 107 N 5.18 0.43 -0.11 3.23 -0.04 -1.26 -5.06 135.00 137.37 3hw3 n PRO 107 Ca 0.18 -0.51 -0.18 0.00 -0.04 0.00 0.00 63.50 62.96 3hw3 n PRO 107 Cb 0.34 -0.14 -0.13 0.00 -0.04 0.00 0.00 33.50 33.53 3hw3 n PRO 107 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3hw3 n ASP 108 N -3.00 1.83 -4.04 3.54 8.00 0.67 -4.14 116.55 119.42 3hw3 n ASP 108 Ca 0.03 -0.08 -0.09 0.00 0.71 0.00 0.00 54.79 55.36 3hw3 n ASP 108 Cb 0.11 -0.35 -0.09 0.00 -0.02 0.00 0.00 41.12 40.78 3hw3 n ASP 108 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hw3 s LEU 109 N -6.50 1.57 -0.10 0.64 1.43 -0.77 -1.18 118.68 113.78 3hw3 s LEU 109 Ca -0.31 -0.98 0.04 0.00 -1.03 0.00 0.00 54.13 51.84 3hw3 s LEU 109 Cb 0.08 0.68 0.00 0.00 0.03 0.00 0.00 46.19 46.99 3hw3 s LEU 109 CO 0.64 -0.76 -0.23 -0.47 0.23 0.00 0.00 176.35 175.76 3hw3 s TYR 110 N -3.98 2.42 -0.40 0.29 5.04 -0.62 -0.21 117.35 119.89 3hw3 s TYR 110 Ca 0.16 -0.98 -0.15 0.00 -2.44 0.00 0.00 57.07 53.67 3hw3 s TYR 110 Cb 0.06 -1.63 0.02 0.00 0.35 0.00 0.00 41.96 40.76 3hw3 s TYR 110 CO -0.02 -0.40 0.29 0.34 -1.34 0.00 0.00 175.55 174.42 3hw3 s ASP 111 N 0.37 6.09 0.52 4.32 3.68 -0.18 -1.16 116.67 130.31 3hw3 s ASP 111 Ca -0.18 -0.86 0.31 0.00 2.13 0.00 0.00 52.55 53.95 3hw3 s ASP 111 Cb -0.18 -2.15 1.12 0.00 -1.45 0.00 0.00 42.92 40.26 3hw3 s ASP 111 CO 0.08 -0.43 1.90 1.88 0.13 0.00 0.00 175.17 178.73 3hw3 h TYR 112 N 8.61 0.00 0.02 -5.34 0.05 -1.29 0.16 116.97 119.18 3hw3 h TYR 112 Ca -0.27 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.47 3hw3 h TYR 112 Cb 1.12 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.86 3hw3 h TYR 112 CO 0.56 0.00 -0.20 -0.22 -1.05 0.00 0.00 178.16 177.25 3hw3 h LYS 113 N 0.00 0.03 -0.01 4.88 3.11 -1.93 -3.33 116.57 119.32 3hw3 h LYS 113 Ca -0.00 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 3hw3 h LYS 113 Cb 0.63 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.88 3hw3 h LYS 113 CO 0.00 1.03 -0.09 0.39 -2.81 0.00 0.00 179.45 177.96 3hw3 n GLU 114 N -4.54 1.01 -3.94 1.90 -0.58 -1.23 -4.97 120.64 108.29 3hw3 n GLU 114 Ca -0.12 -0.44 -0.39 0.00 -0.42 0.00 0.00 57.16 55.79 3hw3 n GLU 114 Cb 0.54 -1.49 0.02 0.00 -0.57 0.00 0.00 31.44 29.93 3hw3 n GLU 114 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hw3 n ASN 115 N -0.62 -4.56 -3.72 1.62 4.13 0.52 -5.00 115.26 107.64 3hw3 n ASN 115 Ca 0.17 -1.16 -0.13 0.00 1.68 0.00 0.00 54.58 55.13 3hw3 n ASN 115 Cb 0.29 -2.00 -0.09 0.00 -1.54 0.00 0.00 39.78 36.43 3hw3 n ASN 115 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hw3 s ARG 116 N -6.59 0.55 0.71 3.52 1.70 -0.92 -4.99 118.95 112.93 3hw3 s ARG 116 Ca 0.38 0.62 -0.14 0.00 -0.47 0.00 0.00 55.73 56.12 3hw3 s ARG 116 Cb -0.19 0.27 0.03 0.00 -0.57 0.00 0.00 34.95 34.48 3hw3 s ARG 116 CO 0.94 -0.07 1.12 -0.06 -1.08 0.00 0.00 175.30 176.15 3hw3 s PHE 117 N 0.19 2.48 -0.04 5.89 0.40 -1.26 -1.01 117.98 124.63 3hw3 s PHE 117 Ca -0.00 1.57 0.02 0.00 -0.60 0.00 0.00 56.93 57.92 3hw3 s PHE 117 Cb -0.03 -3.19 0.01 0.00 0.51 0.00 0.00 43.02 40.32 3hw3 s PHE 117 CO 0.01 -1.90 -0.10 0.42 0.70 0.00 0.00 175.22 174.35 3hw3 s ILE 118 N -2.46 0.88 -0.23 0.64 1.01 0.71 -1.47 121.20 120.28 3hw3 s ILE 118 Ca 0.66 -0.39 -0.08 0.00 0.00 0.00 0.00 60.65 60.84 3hw3 s ILE 118 Cb -0.21 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 3hw3 s ILE 118 CO 0.47 0.28 0.10 -1.61 0.00 0.00 0.00 174.94 174.17 3hw3 s GLU 119 N 0.33 3.86 -0.15 2.79 0.41 0.51 -0.24 118.70 126.20 3hw3 s GLU 119 Ca -0.06 -0.38 -0.07 0.00 -0.41 0.00 0.00 54.97 54.04 3hw3 s GLU 119 Cb -0.11 -3.37 -0.04 0.00 -1.78 0.00 0.00 34.13 28.83 3hw3 s GLU 119 CO 0.01 -0.01 0.11 0.42 -0.49 0.00 0.00 175.26 175.29 3hw3 s ILE 120 N 1.18 5.20 0.03 -1.63 -1.09 -1.26 -1.50 121.20 122.14 3hw3 s ILE 120 Ca 0.05 0.10 0.08 0.00 -2.23 0.00 0.00 60.65 58.66 3hw3 s ILE 120 Cb -0.14 -3.31 -0.03 0.00 -1.58 0.00 0.00 42.46 37.40 3hw3 s ILE 120 CO 0.04 0.53 -0.24 -0.83 -1.23 0.00 0.00 174.94 173.21 3hw3 s GLY 121 N -0.28 1.25 -0.15 6.18 0.00 -0.56 -4.97 107.32 108.80 3hw3 s GLY 121 Ca 0.10 -1.15 0.02 0.00 0.00 0.00 0.00 44.72 43.69 3hw3 s GLY 121 CO 0.01 -1.04 -0.21 0.14 0.00 0.00 0.00 173.10 172.00 3hw3 s VAL 122 N -0.76 2.03 0.10 1.40 1.01 -1.26 -0.29 120.40 122.63 3hw3 s VAL 122 Ca 0.10 -0.95 0.10 0.00 0.00 0.00 0.00 61.98 61.23 3hw3 s VAL 122 Cb -0.09 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3hw3 s VAL 122 CO 0.01 0.54 -0.26 0.28 0.00 0.00 0.00 175.10 175.68 3hw3 s THR 123 N 0.94 2.29 -2.09 3.92 -1.32 0.12 -4.97 115.64 114.53 3hw3 s THR 123 Ca -0.04 -1.60 0.21 0.00 -1.21 0.00 0.00 61.69 59.05 3hw3 s THR 123 Cb -0.15 -1.98 0.55 0.00 -1.51 0.00 0.00 72.50 69.42 3hw3 s THR 123 CO -0.05 0.19 1.47 -2.11 -2.21 0.00 0.00 174.62 171.92 3hw3 n ARG 124 N 1.20 2.49 0.00 7.08 1.85 -1.26 -2.98 116.66 125.05 3hw3 n ARG 124 Ca -0.17 -2.31 0.00 0.00 -1.00 0.00 0.00 57.85 54.37 3hw3 n ARG 124 Cb 0.53 -1.51 0.00 0.00 -1.05 0.00 0.00 32.46 30.43 3hw3 n ARG 124 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3hw3 n ARG 125 N 1.40 3.79 -3.01 2.89 1.74 -1.26 -4.92 116.66 117.29 3hw3 n ARG 125 Ca 0.21 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.90 3hw3 n ARG 125 Cb 0.55 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.94 3hw3 n ARG 125 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3hw3 s GLU 126 N 2.90 4.49 0.22 5.56 0.41 -1.26 -4.92 118.70 126.11 3hw3 s GLU 126 Ca 0.00 1.06 -0.08 0.00 -0.41 0.00 0.00 54.97 55.54 3hw3 s GLU 126 Cb 0.00 -3.32 0.25 0.00 -1.78 0.00 0.00 34.13 29.28 3hw3 s GLU 126 CO 0.00 0.39 1.85 -0.39 -0.49 0.00 0.00 175.26 176.62 3hw3 h VAL 127 N 3.85 1.07 -0.62 2.63 -1.51 -1.94 -2.55 116.25 117.18 3hw3 h VAL 127 Ca -0.45 -0.31 -0.06 0.00 -1.23 0.00 0.00 66.70 64.64 3hw3 h VAL 127 Cb 1.21 0.08 -0.03 0.00 -2.13 0.00 0.00 31.29 30.42 3hw3 h VAL 127 CO 0.69 0.17 0.13 -0.74 -1.23 0.00 0.00 177.57 176.59 3hw3 h HIS 128 N 0.91 1.03 0.11 5.19 6.17 -1.94 0.17 115.15 126.79 3hw3 h HIS 128 Ca 0.32 -0.12 0.01 0.00 0.71 0.00 0.00 60.37 61.29 3hw3 h HIS 128 Cb 0.08 -0.29 -0.01 0.00 2.52 0.00 0.00 27.41 29.71 3hw3 h HIS 128 CO -0.04 0.86 -0.12 1.15 0.71 0.00 0.00 177.93 180.48 3hw3 h THR 129 N 0.93 0.72 -0.72 6.26 2.02 -1.88 -1.18 112.91 119.07 3hw3 h THR 129 Ca 0.20 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.33 3hw3 h THR 129 Cb 0.36 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 3hw3 h THR 129 CO 0.00 0.00 0.26 0.22 0.37 0.00 0.00 175.52 176.37 3hw3 h TYR 130 N -0.26 1.11 -0.50 3.16 3.20 -1.30 -2.06 116.97 120.32 3hw3 h TYR 130 Ca 0.01 -0.09 0.09 0.00 3.14 0.00 0.00 58.73 61.88 3hw3 h TYR 130 Cb 0.26 -0.33 -0.07 0.00 1.54 0.00 0.00 36.73 38.13 3hw3 h TYR 130 CO -0.13 0.86 0.06 -0.92 -1.64 0.00 0.00 178.16 176.39 3hw3 h TYR 131 N 1.05 0.09 -0.25 -3.82 3.20 -0.50 -2.25 116.97 114.48 3hw3 h TYR 131 Ca 0.24 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.96 3hw3 h TYR 131 Cb 0.24 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.55 3hw3 h TYR 131 CO 0.02 -0.05 -0.55 -0.07 -1.64 0.00 0.00 178.16 175.87 3hw3 h LEU 132 N 0.19 0.92 -0.34 2.82 3.38 -0.86 0.19 115.31 121.60 3hw3 h LEU 132 Ca 0.25 -0.55 0.07 0.00 0.09 0.00 0.00 57.88 57.74 3hw3 h LEU 132 Cb 0.36 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 40.76 3hw3 h LEU 132 CO -0.36 1.30 -0.33 -0.33 0.09 0.00 0.00 178.44 178.81 3hw3 h GLU 133 N 0.57 -0.28 -0.24 1.13 5.08 -1.30 0.51 114.58 120.05 3hw3 h GLU 133 Ca 0.00 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3hw3 h GLU 133 Cb 1.16 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 3hw3 h GLU 133 CO 0.12 -0.19 0.01 0.87 -1.00 0.00 0.00 179.01 178.82 3hw3 h LYS 134 N -0.29 0.08 -0.89 2.33 1.79 -1.22 -0.56 116.57 117.81 3hw3 h LYS 134 Ca 0.15 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.66 3hw3 h LYS 134 Cb 0.54 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 31.12 3hw3 h LYS 134 CO -0.50 0.06 0.57 0.00 -1.08 0.00 0.00 179.45 178.50 3hw3 h ALA 135 N 1.20 1.19 -0.41 3.86 0.00 -0.42 0.17 119.26 124.85 3hw3 h ALA 135 Ca 0.11 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3hw3 h ALA 135 Cb 0.14 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3hw3 h ALA 135 CO -0.18 0.41 0.19 -0.97 0.00 0.00 0.00 179.25 178.70 3hw3 h ASN 136 N 1.10 0.27 0.12 0.00 -0.73 0.58 -3.24 115.58 113.68 3hw3 h ASN 136 Ca 0.36 0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.55 3hw3 h ASN 136 Cb 0.03 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.60 3hw3 h ASN 136 CO -0.13 0.20 -0.06 0.50 -0.37 0.00 0.00 177.43 177.57 3hw3 h LYS 137 N 0.39 -0.15 0.00 6.67 3.64 -0.50 -3.38 116.57 123.24 3hw3 h LYS 137 Ca 0.18 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 3hw3 h LYS 137 Cb 0.10 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3hw3 h LYS 137 CO -0.13 -0.10 -0.21 -0.84 -2.27 0.00 0.00 179.45 175.90 3hw3 h ILE 138 N -0.60 0.93 -3.87 2.00 3.07 -1.13 -3.47 117.51 114.44 3hw3 h ILE 138 Ca -0.02 -0.76 0.00 0.00 1.55 0.00 0.00 64.86 65.63 3hw3 h ILE 138 Cb 0.12 1.44 -0.01 0.00 -0.27 0.00 0.00 36.82 38.09 3hw3 h ILE 138 CO 0.03 0.20 -0.48 1.17 -1.05 0.00 0.00 178.15 178.02 3hw3 n LYS 139 N -3.98 -1.58 -2.29 0.16 3.00 -1.22 -4.81 118.16 107.43 3hw3 n LYS 139 Ca -0.02 1.53 -0.40 0.00 -0.00 0.00 0.00 58.31 59.41 3hw3 n LYS 139 Cb 0.29 -2.79 0.01 0.00 0.00 0.00 0.00 35.03 32.53 3hw3 n LYS 139 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3hw3 n SER 140 N 0.40 7.74 0.26 3.14 2.88 -1.24 -4.53 113.62 122.27 3hw3 n SER 140 Ca -0.05 -3.40 -0.13 0.00 -1.33 0.00 0.00 58.87 53.96 3hw3 n SER 140 Cb 0.07 -1.27 -0.07 0.00 -0.75 0.00 0.00 64.21 62.19 3hw3 n SER 140 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3hw3 h GLU 141 N 4.42 -0.67 0.00 -1.46 4.39 -1.94 -3.41 114.58 115.91 3hw3 h GLU 141 Ca 0.63 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.37 3hw3 h GLU 141 Cb 0.31 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3hw3 h GLU 141 CO 1.34 -0.37 0.00 1.17 -1.16 0.00 0.00 179.01 179.99 3hw3 n LYS 142 N -5.27 0.00 -3.24 2.33 3.00 -1.26 -4.97 118.16 108.75 3hw3 n LYS 142 Ca -0.10 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.79 3hw3 n LYS 142 Cb 0.31 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.27 3hw3 n LYS 142 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3hw3 s THR 143 N 0.00 5.01 0.42 3.15 2.01 -1.26 -4.39 115.64 120.58 3hw3 s THR 143 Ca 0.00 0.34 -0.26 0.00 0.31 0.00 0.00 61.69 62.08 3hw3 s THR 143 Cb 0.00 -3.97 -0.08 0.00 0.01 0.00 0.00 72.50 68.46 3hw3 s THR 143 CO 0.00 -0.22 1.34 -2.28 -0.69 0.00 0.00 174.62 172.77 3hw3 s HIS 144 N 2.40 2.70 -0.06 4.92 2.46 -0.54 -4.75 115.29 122.41 3hw3 s HIS 144 Ca 0.19 1.37 0.05 0.00 0.47 0.00 0.00 55.06 57.14 3hw3 s HIS 144 Cb -0.15 -3.74 -0.01 0.00 -0.13 0.00 0.00 32.58 28.54 3hw3 s HIS 144 CO 0.13 -2.36 -0.23 0.42 -2.47 0.00 0.00 174.74 170.23 3hw3 s ILE 145 N -1.25 1.93 -0.10 0.89 1.01 -1.26 -0.36 121.20 122.06 3hw3 s ILE 145 Ca 0.58 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 60.23 3hw3 s ILE 145 Cb -0.40 -1.64 0.04 0.00 0.01 0.00 0.00 42.46 40.47 3hw3 s ILE 145 CO 0.51 0.54 0.02 -2.28 0.00 0.00 0.00 174.94 173.73 3hw3 s HIS 146 N -0.04 0.67 -0.10 3.97 2.46 -0.56 -0.65 115.29 121.04 3hw3 s HIS 146 Ca -0.06 -0.28 0.00 0.00 0.47 0.00 0.00 55.06 55.19 3hw3 s HIS 146 Cb -0.14 -0.82 -0.02 0.00 -0.13 0.00 0.00 32.58 31.47 3hw3 s HIS 146 CO 0.04 -0.39 -0.09 0.42 -2.47 0.00 0.00 174.74 172.25 3hw3 s ILE 147 N 1.98 3.45 0.08 0.89 -1.09 0.74 -1.49 121.20 125.75 3hw3 s ILE 147 Ca 0.04 -0.55 0.08 0.00 -2.23 0.00 0.00 60.65 57.99 3hw3 s ILE 147 Cb -0.13 -2.43 -0.04 0.00 -1.58 0.00 0.00 42.46 38.28 3hw3 s ILE 147 CO -0.06 0.56 -0.19 -0.36 -1.23 0.00 0.00 174.94 173.66 3hw3 s PHE 148 N -0.28 2.52 0.42 3.97 0.40 0.60 -0.91 117.98 124.70 3hw3 s PHE 148 Ca 0.03 -0.27 0.07 0.00 -0.60 0.00 0.00 56.93 56.16 3hw3 s PHE 148 Cb -0.13 -1.39 -0.04 0.00 0.51 0.00 0.00 43.02 41.97 3hw3 s PHE 148 CO 0.03 0.31 0.22 -1.54 0.70 0.00 0.00 175.22 174.94 3hw3 s SER 149 N -1.79 4.52 0.06 1.36 1.04 -0.43 -0.70 113.70 117.76 3hw3 s SER 149 Ca 0.16 -1.05 0.26 0.00 0.48 0.00 0.00 55.95 55.80 3hw3 s SER 149 Cb -0.10 -0.43 1.04 0.00 0.10 0.00 0.00 66.02 66.63 3hw3 s SER 149 CO 0.07 -0.60 1.82 0.49 0.98 0.00 0.00 173.24 176.01 3hw3 n PHE 150 N -1.31 0.26 0.81 5.02 3.01 -1.16 -3.17 117.46 120.92 3hw3 n PHE 150 Ca -0.01 0.08 0.13 0.00 1.01 0.00 0.00 57.45 58.66 3hw3 n PHE 150 Cb 0.64 -0.63 0.41 0.00 -0.01 0.00 0.00 39.48 39.89 3hw3 n PHE 150 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3hw3 n THR 151 N -1.72 0.25 0.00 4.37 -2.24 -1.26 -3.85 114.28 109.83 3hw3 n THR 151 Ca 0.06 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3hw3 n THR 151 Cb 0.33 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 3hw3 n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hw3 n GLY 152 N 1.41 0.49 3.88 3.38 0.00 -1.19 -5.01 105.19 108.16 3hw3 n GLY 152 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 3hw3 n GLY 152 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hw3 s GLU 153 N -0.77 3.40 0.12 1.61 2.02 -1.26 -4.89 118.70 118.92 3hw3 s GLU 153 Ca 0.00 0.54 -0.13 0.00 0.02 0.00 0.00 54.97 55.40 3hw3 s GLU 153 Cb 0.00 -2.14 0.02 0.00 0.10 0.00 0.00 34.13 32.11 3hw3 s GLU 153 CO 0.00 -0.60 0.33 -1.83 0.02 0.00 0.00 175.26 173.18 3hw3 s GLU 154 N -5.12 1.01 -0.15 1.61 -1.05 -1.26 -1.32 118.70 112.42 3hw3 s GLU 154 Ca 0.54 -0.83 -0.08 0.00 -0.15 0.00 0.00 54.97 54.45 3hw3 s GLU 154 Cb -0.11 0.42 0.06 0.00 -0.44 0.00 0.00 34.13 34.06 3hw3 s GLU 154 CO 0.51 -0.37 0.37 -1.64 0.95 0.00 0.00 175.26 175.08 3hw3 s MET 155 N -3.84 0.35 0.06 -4.83 -1.94 -0.09 -4.98 119.30 104.02 3hw3 s MET 155 Ca 0.05 0.72 0.05 0.00 -1.71 0.00 0.00 55.69 54.80 3hw3 s MET 155 Cb 0.03 -0.04 -0.03 0.00 2.01 0.00 0.00 34.83 36.80 3hw3 s MET 155 CO -0.11 -0.16 -0.14 0.00 -0.01 0.00 0.00 175.02 174.60 3hw3 s ALA 156 N 1.35 1.19 -0.01 3.03 0.00 -1.26 -0.18 121.76 125.87 3hw3 s ALA 156 Ca -0.09 -0.92 -0.39 0.00 0.00 0.00 0.00 51.96 50.56 3hw3 s ALA 156 Cb -0.09 -0.14 -0.18 0.00 0.00 0.00 0.00 23.12 22.72 3hw3 s ALA 156 CO -0.12 0.20 1.33 2.41 0.00 0.00 0.00 175.76 179.58 3hw3 n THR 157 N 1.56 0.04 -2.39 0.00 -1.04 0.17 -1.55 114.28 111.07 3hw3 n THR 157 Ca -0.20 -0.01 -0.15 0.00 -2.04 0.00 0.00 64.05 61.66 3hw3 n THR 157 Cb 0.54 -0.62 -0.01 0.00 -1.82 0.00 0.00 70.33 68.42 3hw3 n THR 157 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3hw3 n LYS 158 N 2.65 -2.05 -3.37 -2.82 5.02 -1.26 -1.12 118.16 115.20 3hw3 n LYS 158 Ca 0.20 0.71 -0.23 0.00 -2.02 0.00 0.00 58.31 56.98 3hw3 n LYS 158 Cb 0.14 -5.31 -0.01 0.00 -0.02 0.00 0.00 35.03 29.83 3hw3 n LYS 158 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hw3 n ALA 159 N -2.05 -1.06 -3.23 7.82 0.00 -0.60 -4.93 120.51 116.47 3hw3 n ALA 159 Ca -0.17 0.07 -0.40 0.00 0.00 0.00 0.00 53.44 52.93 3hw3 n ALA 159 Cb 0.62 -2.65 -0.10 0.00 0.00 0.00 0.00 19.45 17.32 3hw3 n ALA 159 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hw3 s ASP 160 N -2.71 5.66 0.00 0.00 -1.08 -0.27 -4.98 116.67 113.29 3hw3 s ASP 160 Ca 0.40 -1.45 0.28 0.00 -0.52 0.00 0.00 52.55 51.26 3hw3 s ASP 160 Cb -0.21 -1.99 1.10 0.00 -1.46 0.00 0.00 42.92 40.36 3hw3 s ASP 160 CO 0.49 -0.52 1.80 -1.22 0.52 0.00 0.00 175.17 176.24 3hw3 n TYR 161 N 4.93 0.00 0.00 -5.34 4.02 -1.26 -4.49 117.16 115.02 3hw3 n TYR 161 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.79 3hw3 n TYR 161 Cb 0.43 -0.29 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 3hw3 n TYR 161 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3hw3 n THR 162 N -1.23 0.00 -2.89 -0.72 -1.04 -1.26 -4.79 114.28 102.35 3hw3 n THR 162 Ca 0.11 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.84 3hw3 n THR 162 Cb 0.30 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.80 3hw3 n THR 162 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hw3 s LEU 163 N 0.00 3.79 0.80 -4.42 1.43 -1.26 -5.08 118.68 113.93 3hw3 s LEU 163 Ca 0.00 0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 53.86 3hw3 s LEU 163 Cb 0.00 -3.78 0.07 0.00 0.03 0.00 0.00 46.19 42.51 3hw3 s LEU 163 CO 0.00 -0.44 1.13 1.51 0.23 0.00 0.00 176.35 178.77 3hw3 s ASP 164 N -3.75 4.58 0.37 2.29 3.84 -1.26 -4.84 116.67 117.91 3hw3 s ASP 164 Ca 0.47 1.06 0.07 0.00 -0.00 0.00 0.00 52.55 54.15 3hw3 s ASP 164 Cb -0.10 -1.72 0.74 0.00 -1.38 0.00 0.00 42.92 40.46 3hw3 s ASP 164 CO 0.38 -1.89 1.92 -0.33 -0.00 0.00 0.00 175.17 175.26 3hw3 h GLU 165 N -1.04 0.37 -0.30 2.11 4.39 -1.98 -2.40 114.58 115.73 3hw3 h GLU 165 Ca -0.47 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.14 3hw3 h GLU 165 Cb 1.29 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 3hw3 h GLU 165 CO 0.63 0.43 0.10 1.49 -1.16 0.00 0.00 179.01 180.49 3hw3 h GLU 166 N 0.36 0.47 -0.66 2.33 4.81 -1.99 -0.19 114.58 119.71 3hw3 h GLU 166 Ca 0.08 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 3hw3 h GLU 166 Cb 0.30 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 3hw3 h GLU 166 CO 0.01 0.51 0.28 0.77 -0.73 0.00 0.00 179.01 179.86 3hw3 h SER 167 N 0.33 0.89 -0.56 1.04 0.02 -1.90 -2.35 113.55 111.02 3hw3 h SER 167 Ca 0.10 -0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 60.81 3hw3 h SER 167 Cb 0.24 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 3hw3 h SER 167 CO -0.00 0.80 0.03 0.03 -1.14 0.00 0.00 176.83 176.55 3hw3 h ARG 168 N 0.92 1.00 -0.66 3.45 3.08 -1.41 -2.55 114.38 118.21 3hw3 h ARG 168 Ca 0.22 -0.29 0.05 0.00 0.07 0.00 0.00 59.98 60.04 3hw3 h ARG 168 Cb 0.17 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.07 3hw3 h ARG 168 CO -0.02 0.96 0.38 0.00 -1.07 0.00 0.00 179.97 180.22 3hw3 h ALA 169 N 1.10 0.88 -0.55 0.04 0.00 -0.83 -0.57 119.26 119.33 3hw3 h ALA 169 Ca 0.17 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3hw3 h ALA 169 Cb 0.49 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3hw3 h ALA 169 CO 0.02 0.08 0.28 0.00 0.00 0.00 0.00 179.25 179.63 3hw3 h ARG 170 N 0.72 0.52 0.15 0.00 3.08 -1.22 -0.35 114.38 117.28 3hw3 h ARG 170 Ca 0.29 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 3hw3 h ARG 170 Cb 0.14 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3hw3 h ARG 170 CO -0.16 0.34 -0.07 0.82 -1.07 0.00 0.00 179.97 179.83 3hw3 h ILE 171 N 0.53 0.90 -0.23 2.04 2.04 -1.07 -2.31 117.51 119.41 3hw3 h ILE 171 Ca 0.25 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 3hw3 h ILE 171 Cb 0.17 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3hw3 h ILE 171 CO -0.18 0.05 0.01 0.11 0.00 0.00 0.00 178.15 178.15 3hw3 h LYS 172 N -0.31 0.34 -0.13 2.37 1.57 -0.92 -1.34 116.57 118.15 3hw3 h LYS 172 Ca -0.02 -0.05 -0.19 0.00 -1.87 0.00 0.00 60.65 58.52 3hw3 h LYS 172 Cb 0.25 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 3hw3 h LYS 172 CO 0.03 0.36 -0.70 1.15 -0.57 0.00 0.00 179.45 179.72 3hw3 h THR 173 N 0.33 1.34 -0.51 -0.16 2.02 -1.02 -0.75 112.91 114.15 3hw3 h THR 173 Ca 0.08 -2.01 -0.07 0.00 0.77 0.00 0.00 66.41 65.17 3hw3 h THR 173 Cb 0.21 1.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 3hw3 h THR 173 CO 0.00 0.62 0.05 -0.09 0.37 0.00 0.00 175.52 176.47 3hw3 h ARG 174 N 0.38 0.87 -0.39 6.66 9.65 -0.81 -0.39 114.38 130.36 3hw3 h ARG 174 Ca -0.03 -0.25 -0.11 0.00 -1.10 0.00 0.00 59.98 58.49 3hw3 h ARG 174 Cb 1.28 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.76 3hw3 h ARG 174 CO 0.13 0.88 -0.19 -0.07 2.80 0.00 0.00 179.97 183.51 3hw3 h LEU 175 N 0.75 0.84 -0.28 3.80 3.38 -1.14 -0.69 115.31 121.97 3hw3 h LEU 175 Ca 0.15 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 57.78 3hw3 h LEU 175 Cb 0.45 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 3hw3 h LEU 175 CO 0.02 1.06 -0.09 0.15 0.09 0.00 0.00 178.44 179.66 3hw3 h PHE 176 N 0.62 -0.21 -0.17 1.13 3.57 -1.01 -0.70 116.94 120.16 3hw3 h PHE 176 Ca 0.09 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.64 3hw3 h PHE 176 Cb 0.75 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 3hw3 h PHE 176 CO 0.06 -0.15 0.03 1.15 -2.23 0.00 0.00 178.31 177.16 3hw3 h THR 177 N -0.04 0.92 -0.46 4.41 2.02 -0.60 -1.47 112.91 117.69 3hw3 h THR 177 Ca 0.14 -0.03 0.09 0.00 0.77 0.00 0.00 66.41 67.38 3hw3 h THR 177 Cb 0.25 0.81 -0.10 0.00 -1.74 0.00 0.00 68.15 67.37 3hw3 h THR 177 CO -0.31 0.02 -0.27 0.40 0.37 0.00 0.00 175.52 175.73 3hw3 h ILE 178 N 0.10 0.29 -0.86 3.11 2.04 -1.04 0.34 117.51 121.48 3hw3 h ILE 178 Ca 0.08 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.98 3hw3 h ILE 178 Cb 0.07 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 36.39 3hw3 h ILE 178 CO -0.11 0.00 0.55 -0.09 0.00 0.00 0.00 178.15 178.50 3hw3 h ARG 179 N -0.17 1.01 -0.28 2.37 1.12 -0.78 -0.67 114.38 116.97 3hw3 h ARG 179 Ca 0.21 -0.06 -0.13 0.00 -1.11 0.00 0.00 59.98 58.88 3hw3 h ARG 179 Cb 0.50 -0.23 -0.00 0.00 -0.01 0.00 0.00 29.97 30.23 3hw3 h ARG 179 CO -0.56 0.67 -0.34 0.37 -3.11 0.00 0.00 179.97 177.00 3hw3 h GLN 180 N 1.04 0.73 -0.91 0.20 4.15 -1.02 -2.74 115.11 116.56 3hw3 h GLN 180 Ca 0.35 -0.41 0.02 0.00 0.77 0.00 0.00 58.65 59.39 3hw3 h GLN 180 Cb 0.06 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.73 3hw3 h GLN 180 CO -0.14 1.03 0.60 0.93 -1.93 0.00 0.00 178.83 179.33 3hw3 h GLU 181 N 0.48 1.15 -0.01 1.69 5.08 0.30 0.25 114.58 123.52 3hw3 h GLU 181 Ca 0.04 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3hw3 h GLU 181 Cb 0.93 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 3hw3 h GLU 181 CO 0.08 0.76 -0.06 0.52 -1.00 0.00 0.00 179.01 179.31 3hw3 h MET 182 N 1.19 0.02 0.21 2.33 2.86 -1.11 -2.31 114.93 118.12 3hw3 h MET 182 Ca 0.35 -0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.66 3hw3 h MET 182 Cb -0.06 -0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.63 3hw3 h MET 182 CO -0.09 0.09 -1.40 0.00 1.06 0.00 0.00 176.91 176.57 3hw3 h ALA 183 N 1.92 -0.10 0.00 6.32 0.00 -0.35 1.41 119.26 128.46 3hw3 h ALA 183 Ca 0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 54.91 54.05 3hw3 h ALA 183 Cb 0.13 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3hw3 h ALA 183 CO 0.01 0.70 -0.13 0.66 0.00 0.00 0.00 179.25 180.49 3hw3 h SER 184 N 0.19 0.00 0.78 0.00 4.64 -0.58 -2.58 113.55 115.99 3hw3 h SER 184 Ca -0.23 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.04 3hw3 h SER 184 Cb 2.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.16 3hw3 h SER 184 CO 0.26 0.13 -1.25 -1.14 -0.87 0.00 0.00 176.83 173.96 3hw3 n ARG 185 N -4.14 0.62 -0.36 4.77 3.00 -0.88 -5.01 116.66 114.66 3hw3 n ARG 185 Ca -0.02 0.10 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 3hw3 n ARG 185 Cb 0.21 -1.78 0.00 0.00 0.00 0.00 0.00 32.46 30.89 3hw3 n ARG 185 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hw3 n GLY 186 N 1.25 0.81 0.03 5.14 0.00 0.25 -4.47 105.19 108.20 3hw3 n GLY 186 Ca -0.03 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.02 3hw3 n GLY 186 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hw3 n LEU 187 N 0.00 0.62 0.02 0.99 7.99 0.46 -4.72 117.00 122.36 3hw3 n LEU 187 Ca 0.00 -0.08 -0.12 0.00 -0.01 0.00 0.00 56.01 55.80 3hw3 n LEU 187 Cb 0.00 -0.09 -0.07 0.00 -0.11 0.00 0.00 43.42 43.15 3hw3 n LEU 187 CO 0.00 0.07 0.83 -0.25 -1.51 0.00 0.00 177.39 176.53 3hw3 h TRP 188 N 0.00 0.02 -1.00 -1.77 2.91 -1.84 -3.27 115.95 111.00 3hw3 h TRP 188 Ca 0.00 -0.00 0.22 0.00 1.13 0.00 0.00 58.89 60.24 3hw3 h TRP 188 Cb 0.70 -0.01 -0.12 0.00 -0.51 0.00 0.00 29.16 29.22 3hw3 h TRP 188 CO 0.00 0.12 0.60 -0.44 -1.03 0.00 0.00 178.44 177.69 3hw3 h ASP 189 N -0.07 0.73 0.52 2.65 5.19 -1.91 -2.13 116.42 121.38 3hw3 h ASP 189 Ca 0.01 0.12 -0.23 0.00 -0.62 0.00 0.00 57.03 56.30 3hw3 h ASP 189 Cb 0.10 -0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.56 3hw3 h ASP 189 CO -0.00 0.19 -1.66 -1.54 -3.12 0.00 0.00 179.24 173.11 3hw3 n SER 190 N -4.83 0.74 -0.02 6.45 3.41 -1.25 -2.61 113.62 115.52 3hw3 n SER 190 Ca 0.25 0.34 -0.09 0.00 -0.26 0.00 0.00 58.87 59.11 3hw3 n SER 190 Cb 0.66 0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.81 3hw3 n SER 190 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3hw3 h PHE 191 N 0.00 -0.39 -0.22 7.33 3.57 -1.53 0.01 116.94 125.72 3hw3 h PHE 191 Ca -0.25 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.31 3hw3 h PHE 191 Cb 1.81 0.20 -0.06 0.00 2.79 0.00 0.00 35.95 40.69 3hw3 h PHE 191 CO 0.00 -0.22 -0.46 -0.09 -2.23 0.00 0.00 178.31 175.30 3hw3 h ARG 192 N -0.17 -0.40 0.00 1.11 2.43 -1.49 -2.82 114.38 113.04 3hw3 h ARG 192 Ca 0.11 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3hw3 h ARG 192 Cb 0.33 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3hw3 h ARG 192 CO -0.27 -0.27 -0.04 0.37 -1.51 0.00 0.00 179.97 178.25 3hw3 h GLN 193 N -0.42 0.00 0.00 0.20 5.75 -1.23 -2.95 115.11 116.47 3hw3 h GLN 193 Ca 0.04 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 3hw3 h GLN 193 Cb 0.54 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.09 3hw3 h GLN 193 CO -0.43 0.04 0.00 -1.13 -2.65 0.00 0.00 178.83 174.66 3hw3 n SER 194 N -3.72 0.00 -4.70 -0.69 3.41 -0.04 -4.89 113.62 103.00 3hw3 n SER 194 Ca -0.03 -0.41 -0.42 0.00 -0.26 0.00 0.00 58.87 57.75 3hw3 n SER 194 Cb 0.14 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 3hw3 n SER 194 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3hw3 s GLU 195 N -2.38 4.31 0.00 4.33 2.12 -1.12 -5.01 118.70 120.95 3hw3 s GLU 195 Ca 0.34 1.97 0.00 0.00 0.36 0.00 0.00 54.97 57.64 3hw3 s GLU 195 Cb 0.20 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 31.14 3hw3 s GLU 195 CO 0.42 -0.50 0.00 0.54 -0.54 0.00 0.00 175.26 175.18 3hw3 n ARG 196 N 4.80 2.25 0.00 4.30 1.74 -1.26 -5.09 116.66 123.40 3hw3 n ARG 196 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 3hw3 n ARG 196 Cb 0.44 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.88 3hw3 n ARG 196 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52