#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hw3 s GLY -1 N 0.00 0.48 0.37 -3.96 0.00 -1.13 -5.05 107.32 98.04 3hw3 s GLY -1 Ca 0.00 -0.84 -0.28 0.00 0.00 0.00 0.00 44.72 43.60 3hw3 s GLY -1 CO 0.00 -0.91 1.44 -1.35 0.00 0.00 0.00 173.10 172.28 3hw3 s SER 0 N -1.85 6.44 0.23 1.64 1.04 -1.26 -4.86 113.70 115.08 3hw3 s SER 0 Ca -0.07 2.95 -0.05 0.00 0.48 0.00 0.00 55.95 59.27 3hw3 s SER 0 Cb -0.07 -2.66 0.23 0.00 0.10 0.00 0.00 66.02 63.62 3hw3 s SER 0 CO -0.01 -0.80 1.73 -0.03 0.98 0.00 0.00 173.24 175.11 3hw3 h MET 1 N 3.08 0.93 -0.22 4.02 4.05 -1.97 -2.49 114.93 122.33 3hw3 h MET 1 Ca -0.50 -0.25 -0.00 0.00 -0.28 0.00 0.00 59.70 58.66 3hw3 h MET 1 Cb 1.24 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.92 3hw3 h MET 1 CO 0.64 0.90 0.13 1.49 0.23 0.00 0.00 176.91 180.30 3hw3 h GLU 2 N 0.87 0.29 -0.72 0.39 4.81 -1.89 -1.15 114.58 117.19 3hw3 h GLU 2 Ca 0.17 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.46 3hw3 h GLU 2 Cb 0.45 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.70 3hw3 h GLU 2 CO 0.02 0.23 0.38 -0.44 -0.73 0.00 0.00 179.01 178.47 3hw3 h ASP 3 N 0.27 0.52 0.25 1.04 5.19 -1.94 -1.90 116.42 119.84 3hw3 h ASP 3 Ca 0.08 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.53 3hw3 h ASP 3 Cb 0.01 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 39.48 3hw3 h ASP 3 CO -0.01 0.31 -0.15 0.15 -3.12 0.00 0.00 179.24 176.41 3hw3 h PHE 4 N 0.65 -0.39 -0.51 4.55 3.57 -0.96 -2.19 116.94 121.67 3hw3 h PHE 4 Ca 0.34 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.93 3hw3 h PHE 4 Cb 0.32 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 39.13 3hw3 h PHE 4 CO -0.09 -0.24 0.12 0.28 -2.23 0.00 0.00 178.31 176.15 3hw3 h VAL 5 N -0.38 0.73 0.00 1.41 2.07 -1.05 0.26 116.25 119.28 3hw3 h VAL 5 Ca -0.02 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 3hw3 h VAL 5 Cb 0.32 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3hw3 h VAL 5 CO 0.03 0.05 -0.13 0.03 0.02 0.00 0.00 177.57 177.56 3hw3 h ARG 6 N 0.26 0.00 0.03 1.57 3.08 -1.21 -2.22 114.38 115.90 3hw3 h ARG 6 Ca 0.26 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.97 3hw3 h ARG 6 Cb 0.34 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 3hw3 h ARG 6 CO -0.32 0.13 -2.01 0.00 -1.07 0.00 0.00 179.97 176.70 3hw3 n GLN 7 N -3.28 0.68 0.08 0.04 -0.00 -0.83 -4.62 117.38 109.44 3hw3 n GLN 7 Ca 0.00 0.21 -0.20 0.00 -0.00 0.00 0.00 57.00 57.01 3hw3 n GLN 7 Cb 0.38 -1.68 -0.11 0.00 -0.00 0.00 0.00 30.24 28.82 3hw3 n GLN 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3hw3 s PHE 9 N -3.04 3.36 0.48 0.00 0.40 -0.85 -5.08 117.98 113.26 3hw3 s PHE 9 Ca -0.08 0.14 -0.24 0.00 -0.60 0.00 0.00 56.93 56.16 3hw3 s PHE 9 Cb 0.06 -1.67 -0.07 0.00 0.51 0.00 0.00 43.02 41.85 3hw3 s PHE 9 CO 0.92 0.55 1.33 1.21 0.70 0.00 0.00 175.22 179.93 3hw3 s ASN 10 N -2.62 5.77 0.42 1.36 2.47 -1.26 -4.76 114.94 116.31 3hw3 s ASN 10 Ca 0.32 2.71 0.12 0.00 0.42 0.00 0.00 52.86 56.44 3hw3 s ASN 10 Cb -0.12 -2.64 0.97 0.00 -1.45 0.00 0.00 41.25 38.01 3hw3 s ASN 10 CO 0.25 -1.23 1.96 -0.65 -3.72 0.00 0.00 177.10 173.72 3hw3 h PRO 11 N 2.01 0.47 -0.62 0.43 0.11 -1.97 -0.38 132.00 132.05 3hw3 h PRO 11 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3hw3 h PRO 11 Cb 1.27 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 3hw3 h PRO 11 CO 0.60 0.31 0.40 1.98 -0.21 0.00 0.00 178.00 181.08 3hw3 h MET 12 N 0.48 0.82 -0.35 1.05 -1.53 -1.99 0.02 114.93 113.44 3hw3 h MET 12 Ca 0.30 -0.06 -0.11 0.00 -3.44 0.00 0.00 59.70 56.39 3hw3 h MET 12 Cb 0.53 -0.18 -0.01 0.00 -0.55 0.00 0.00 31.60 31.39 3hw3 h MET 12 CO -0.09 0.56 -0.21 0.82 0.14 0.00 0.00 176.91 178.13 3hw3 h ILE 13 N 0.84 1.29 -0.77 1.77 2.04 -1.47 -2.32 117.51 118.89 3hw3 h ILE 13 Ca 0.23 -1.35 0.03 0.00 1.00 0.00 0.00 64.86 64.77 3hw3 h ILE 13 Cb -0.07 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 3hw3 h ILE 13 CO -0.05 0.44 0.49 0.58 0.00 0.00 0.00 178.15 179.62 3hw3 h VAL 14 N 0.54 1.12 -0.44 1.67 2.07 -1.03 -0.21 116.25 119.98 3hw3 h VAL 14 Ca 0.07 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3hw3 h VAL 14 Cb 0.76 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3hw3 h VAL 14 CO 0.06 0.18 0.22 -0.08 0.02 0.00 0.00 177.57 177.97 3hw3 h GLU 15 N 0.96 0.62 -0.75 1.57 4.81 -0.84 -0.44 114.58 120.51 3hw3 h GLU 15 Ca 0.30 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 3hw3 h GLU 15 Cb -0.00 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 3hw3 h GLU 15 CO -0.10 0.51 0.37 -0.07 -0.73 0.00 0.00 179.01 178.99 3hw3 h LEU 16 N 0.57 0.97 -0.11 1.64 3.38 -0.98 -1.20 115.31 119.57 3hw3 h LEU 16 Ca 0.15 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3hw3 h LEU 16 Cb 0.09 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3hw3 h LEU 16 CO -0.02 0.81 0.04 0.00 0.09 0.00 0.00 178.44 179.36 3hw3 h ALA 17 N 1.34 0.14 -0.68 1.53 0.00 -0.72 -1.75 119.26 119.12 3hw3 h ALA 17 Ca 0.26 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.18 3hw3 h ALA 17 Cb 0.09 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 3hw3 h ALA 17 CO -0.04 -0.26 0.28 0.93 0.00 0.00 0.00 179.25 180.16 3hw3 h GLU 18 N 0.01 0.45 -0.37 0.00 5.08 -0.83 -1.42 114.58 117.50 3hw3 h GLU 18 Ca 0.04 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3hw3 h GLU 18 Cb 0.18 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3hw3 h GLU 18 CO -0.00 0.29 0.23 0.87 -1.00 0.00 0.00 179.01 179.40 3hw3 h LYS 19 N 0.46 0.49 -0.54 2.33 1.79 -1.08 -0.57 116.57 119.46 3hw3 h LYS 19 Ca 0.35 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.78 3hw3 h LYS 19 Cb 0.47 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 3hw3 h LYS 19 CO -0.34 0.36 0.34 0.00 -1.08 0.00 0.00 179.45 178.74 3hw3 h ALA 20 N 1.10 0.68 -0.20 3.86 0.00 -0.99 -1.78 119.26 121.94 3hw3 h ALA 20 Ca 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3hw3 h ALA 20 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3hw3 h ALA 20 CO -0.03 0.15 0.05 0.52 0.00 0.00 0.00 179.25 179.94 3hw3 h MET 21 N 0.72 0.31 -0.58 0.00 2.86 -1.00 -3.03 114.93 114.22 3hw3 h MET 21 Ca 0.19 -0.07 0.06 0.00 -2.06 0.00 0.00 59.70 57.82 3hw3 h MET 21 Cb -0.05 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 3hw3 h MET 21 CO -0.04 0.43 0.39 0.87 1.06 0.00 0.00 176.91 179.62 3hw3 h LYS 22 N 0.14 0.55 -0.48 1.72 1.57 -1.03 -0.06 116.57 118.98 3hw3 h LYS 22 Ca 0.06 -0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.95 3hw3 h LYS 22 Cb 0.25 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3hw3 h LYS 22 CO -0.00 0.36 0.36 1.49 -0.57 0.00 0.00 179.45 181.09 3hw3 h GLU 23 N 0.57 0.00 -0.28 3.15 4.81 -1.19 -0.91 114.58 120.72 3hw3 h GLU 23 Ca 0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3hw3 h GLU 23 Cb 0.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3hw3 h GLU 23 CO -0.07 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 178.87 3hw3 n TYR 24 N -4.30 0.36 -1.93 0.92 4.02 -0.60 -4.97 117.16 110.66 3hw3 n TYR 24 Ca 0.09 -0.25 -0.09 0.00 -0.01 0.00 0.00 57.90 57.64 3hw3 n TYR 24 Cb 0.57 -0.01 -0.01 0.00 -0.02 0.00 0.00 39.34 39.87 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 1.06 0.28 3.88 2.72 0.00 -0.35 -5.02 105.19 107.76 3hw3 n GLY 25 Ca 0.14 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 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 -4.01 3.37 -0.28 1.61 2.02 -0.14 -4.98 118.70 116.30 3hw3 s GLU 26 Ca 0.00 -0.34 -0.11 0.00 0.02 0.00 0.00 54.97 54.55 3hw3 s GLU 26 Cb 0.00 -3.06 -0.04 0.00 0.10 0.00 0.00 34.13 31.13 3hw3 s GLU 26 CO 0.00 0.68 0.17 0.34 0.02 0.00 0.00 175.26 176.47 3hw3 s ASP 27 N -1.84 5.85 0.47 -0.19 3.68 -1.26 -3.41 116.67 119.97 3hw3 s ASP 27 Ca 0.26 -0.12 0.25 0.00 2.13 0.00 0.00 52.55 55.06 3hw3 s ASP 27 Cb -0.12 -2.08 1.29 0.00 -1.45 0.00 0.00 42.92 40.55 3hw3 s ASP 27 CO 0.17 -0.08 1.85 -0.65 0.13 0.00 0.00 175.17 176.59 3hw3 h PRO 28 N 8.36 0.20 0.00 4.34 0.11 -1.93 0.19 132.00 143.27 3hw3 h PRO 28 Ca -0.35 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.72 3hw3 h PRO 28 Cb 1.18 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3hw3 h PRO 28 CO 0.57 0.13 -0.15 0.87 -0.21 0.00 0.00 178.00 179.21 3hw3 h LYS 29 N 0.21 0.00 0.00 1.05 1.57 -1.98 -3.33 116.57 114.09 3hw3 h LYS 29 Ca 0.49 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.24 3hw3 h LYS 29 Cb 1.55 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.86 3hw3 h LYS 29 CO -0.12 0.15 -1.03 -0.89 -0.57 0.00 0.00 179.45 176.99 3hw3 n ILE 30 N -3.95 1.47 -2.11 1.86 5.41 0.42 -4.69 119.36 117.77 3hw3 n ILE 30 Ca -0.02 0.12 -0.42 0.00 1.00 0.00 0.00 62.75 63.44 3hw3 n ILE 30 Cb 0.24 -2.25 0.00 0.00 -0.71 0.00 0.00 39.64 36.91 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 -4.36 3.68 0.11 0.38 -0.58 0.18 -4.77 120.64 115.28 3hw3 n GLU 31 Ca -0.16 -3.28 -0.04 0.00 -0.42 0.00 0.00 57.16 53.27 3hw3 n GLU 31 Cb 0.50 -2.92 0.08 0.00 -0.57 0.00 0.00 31.44 28.53 3hw3 n GLU 31 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3hw3 h THR 32 N 3.53 1.51 -0.44 2.62 1.35 -1.82 -1.26 112.91 118.40 3hw3 h THR 32 Ca 0.51 -2.48 -0.10 0.00 -0.55 0.00 0.00 66.41 63.80 3hw3 h THR 32 Cb 0.55 2.34 -0.02 0.00 -1.73 0.00 0.00 68.15 69.29 3hw3 h THR 32 CO 1.66 0.71 -0.12 0.78 -0.25 0.00 0.00 175.52 178.29 3hw3 h ASN 33 N 0.02 0.79 -0.13 5.36 2.35 -1.91 -1.52 115.58 120.53 3hw3 h ASN 33 Ca -0.01 -0.24 -0.00 0.00 -0.55 0.00 0.00 56.30 55.50 3hw3 h ASN 33 Cb 1.30 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.45 3hw3 h ASN 33 CO 0.10 0.93 0.08 0.11 -1.65 0.00 0.00 177.43 177.00 3hw3 h LYS 34 N 0.72 0.18 -0.19 0.81 1.57 -1.89 -0.80 116.57 116.96 3hw3 h LYS 34 Ca 0.12 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.94 3hw3 h LYS 34 Cb 0.61 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.82 3hw3 h LYS 34 CO 0.04 0.15 -0.27 0.35 -0.57 0.00 0.00 179.45 179.15 3hw3 h PHE 35 N 0.15 -0.74 -0.43 -1.35 -0.00 -1.06 0.17 116.94 113.68 3hw3 h PHE 35 Ca 0.05 0.04 0.06 0.00 -0.00 0.00 0.00 57.97 58.12 3hw3 h PHE 35 Cb 0.02 0.35 -0.06 0.00 -0.00 0.00 0.00 35.95 36.27 3hw3 h PHE 35 CO -0.06 -0.35 0.10 0.00 -0.00 0.00 0.00 178.31 178.01 3hw3 h ALA 36 N 0.64 0.48 -0.76 2.41 0.00 -1.17 -1.10 119.26 119.76 3hw3 h ALA 36 Ca 0.12 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3hw3 h ALA 36 Cb 0.49 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3hw3 h ALA 36 CO -0.37 -0.30 0.25 0.00 0.00 0.00 0.00 179.25 178.83 3hw3 h ALA 37 N 1.32 1.00 -0.52 0.00 0.00 -0.51 -0.49 119.26 120.06 3hw3 h ALA 37 Ca 0.21 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3hw3 h ALA 37 Cb 0.24 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3hw3 h ALA 37 CO -0.26 0.67 0.06 0.82 0.00 0.00 0.00 179.25 180.54 3hw3 h ILE 38 N 1.12 1.26 -0.55 0.00 2.04 -0.41 -0.64 117.51 120.33 3hw3 h ILE 38 Ca 0.25 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 3hw3 h ILE 38 Cb 0.30 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 3hw3 h ILE 38 CO -0.01 0.36 0.27 0.00 0.00 0.00 0.00 178.15 178.76 3hw3 h THR 40 N 0.74 1.05 -0.76 0.00 2.02 -0.87 -0.40 112.91 114.69 3hw3 h THR 40 Ca 0.19 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.27 3hw3 h THR 40 Cb 0.12 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 3hw3 h THR 40 CO -0.02 0.04 0.48 -0.74 0.37 0.00 0.00 175.52 175.65 3hw3 h HIS 41 N -0.02 0.90 -0.01 3.16 6.17 -1.02 -0.66 115.15 123.67 3hw3 h HIS 41 Ca 0.01 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.11 3hw3 h HIS 41 Cb 0.05 -0.30 -0.00 0.00 2.52 0.00 0.00 27.41 29.68 3hw3 h HIS 41 CO -0.06 0.51 0.01 -0.07 0.71 0.00 0.00 177.93 179.03 3hw3 h LEU 42 N 0.94 0.01 -1.03 0.26 -0.00 -0.80 -1.51 115.31 113.19 3hw3 h LEU 42 Ca 0.31 -0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 58.09 3hw3 h LEU 42 Cb 0.02 -0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.64 3hw3 h LEU 42 CO -0.12 0.09 0.39 -0.08 -0.00 0.00 0.00 178.44 178.72 3hw3 h GLU 43 N -0.06 1.08 -0.53 1.13 4.81 -0.81 -1.64 114.58 118.56 3hw3 h GLU 43 Ca 0.00 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3hw3 h GLU 43 Cb 0.07 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 3hw3 h GLU 43 CO -0.00 0.81 0.32 0.28 -0.73 0.00 0.00 179.01 179.69 3hw3 h VAL 44 N 1.08 1.17 -0.66 0.32 2.07 -0.95 -0.41 116.25 118.86 3hw3 h VAL 44 Ca 0.27 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3hw3 h VAL 44 Cb 0.07 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 3hw3 h VAL 44 CO -0.04 0.17 0.36 0.00 0.02 0.00 0.00 177.57 178.09 3hw3 h PHE 46 N 0.91 0.48 -0.31 0.00 0.04 -1.16 -2.63 116.94 114.27 3hw3 h PHE 46 Ca 0.23 -0.03 0.04 0.00 2.80 0.00 0.00 57.97 61.01 3hw3 h PHE 46 Cb 0.04 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.01 3hw3 h PHE 46 CO -0.01 0.46 0.08 0.52 -0.60 0.00 0.00 178.31 178.76 3hw3 h MET 47 N 0.37 0.19 -0.59 1.51 2.86 -0.88 -0.21 114.93 118.18 3hw3 h MET 47 Ca 0.11 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.82 3hw3 h MET 47 Cb 0.18 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 3hw3 h MET 47 CO -0.01 0.12 0.39 -0.92 1.06 0.00 0.00 176.91 177.56 3hw3 h TYR 48 N 0.19 0.49 -0.00 -0.22 5.03 -0.48 -2.38 116.97 119.60 3hw3 h TYR 48 Ca 0.15 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.47 3hw3 h TYR 48 Cb 0.15 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 38.27 3hw3 h TYR 48 CO -0.16 0.25 -0.81 -1.13 -1.32 0.00 0.00 178.16 174.99 3hw3 n SER 49 N -4.47 1.29 -4.69 -2.11 3.41 -1.00 -4.94 113.62 101.11 3hw3 n SER 49 Ca 0.09 -1.12 -0.42 0.00 -0.26 0.00 0.00 58.87 57.16 3hw3 n SER 49 Cb 0.31 0.79 -0.03 0.00 -0.26 0.00 0.00 64.21 65.02 3hw3 n SER 49 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hw3 s ASP 50 N -2.83 6.55 -1.46 4.04 2.15 -0.11 -3.73 116.67 121.27 3hw3 s ASP 50 Ca 0.12 2.56 -0.12 0.00 0.43 0.00 0.00 52.55 55.54 3hw3 s ASP 50 Cb 0.17 -2.56 0.05 0.00 -0.30 0.00 0.00 42.92 40.28 3hw3 s ASP 50 CO 0.77 -0.93 1.07 0.33 -0.17 0.00 0.00 175.17 176.24 3hw3 n PHE 51 N 5.76 -2.55 -4.81 -5.34 -0.00 -1.26 -4.97 117.46 104.28 3hw3 n PHE 51 Ca 0.17 0.95 -0.33 0.00 -0.00 0.00 0.00 57.45 58.24 3hw3 n PHE 51 Cb 0.40 -4.43 -0.14 0.00 -0.00 0.00 0.00 39.48 35.31 3hw3 n PHE 51 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.76 175.75 3hw3 s HIS 52 N -3.31 2.78 -0.03 -5.13 3.76 -1.24 -5.15 115.29 106.97 3hw3 s HIS 52 Ca 0.63 -0.52 0.03 0.00 -0.15 0.00 0.00 55.06 55.05 3hw3 s HIS 52 Cb -0.30 -1.79 -0.00 0.00 1.11 0.00 0.00 32.58 31.60 3hw3 s HIS 52 CO 0.79 -0.11 -0.11 -0.06 -0.85 0.00 0.00 174.74 174.40 3hw3 s PHE 53 N 0.06 1.12 -2.00 1.40 0.08 -1.26 -3.29 117.98 114.08 3hw3 s PHE 53 Ca -0.05 -0.28 0.02 0.00 0.12 0.00 0.00 56.93 56.74 3hw3 s PHE 53 Cb -0.15 -0.77 0.12 0.00 -0.57 0.00 0.00 43.02 41.66 3hw3 s PHE 53 CO 0.04 -0.10 0.46 0.72 -0.10 0.00 0.00 175.22 176.24 3hw3 n HIS 74 N 3.18 0.00 0.00 0.36 -0.00 -1.26 -5.06 115.22 112.44 3hw3 n HIS 74 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.55 3hw3 n HIS 74 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.53 3hw3 n HIS 74 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 3hw3 n ARG 75 N -0.80 0.00 -4.86 -0.41 0.63 -1.21 -4.88 116.66 105.13 3hw3 n ARG 75 Ca 0.02 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.62 3hw3 n ARG 75 Cb 0.01 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 32.78 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 2.73 -0.14 -0.14 0.40 -1.26 0.30 117.98 119.87 3hw3 s PHE 76 Ca 0.00 -0.27 -0.17 0.00 -0.60 0.00 0.00 56.93 55.89 3hw3 s PHE 76 Cb 0.00 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.81 3hw3 s PHE 76 CO 0.00 0.10 0.45 -2.00 0.70 0.00 0.00 175.22 174.46 3hw3 s GLU 77 N -0.48 4.29 -0.07 0.44 2.56 0.16 -4.93 118.70 120.68 3hw3 s GLU 77 Ca 0.06 0.37 -0.23 0.00 0.00 0.00 0.00 54.97 55.17 3hw3 s GLU 77 Cb -0.12 -3.46 -0.04 0.00 2.00 0.00 0.00 34.13 32.51 3hw3 s GLU 77 CO 0.02 0.11 0.69 0.42 -0.56 0.00 0.00 175.26 175.94 3hw3 s ILE 78 N 0.81 5.05 -0.14 -3.70 1.01 -1.26 -0.83 121.20 122.13 3hw3 s ILE 78 Ca 0.24 1.42 -0.00 0.00 0.00 0.00 0.00 60.65 62.31 3hw3 s ILE 78 Cb -0.15 -4.03 -0.09 0.00 0.01 0.00 0.00 42.46 38.20 3hw3 s ILE 78 CO 0.09 0.25 -0.14 -0.38 0.00 0.00 0.00 174.94 174.77 3hw3 n ILE 79 N 3.78 0.82 -1.74 2.92 2.08 0.42 -4.92 119.36 122.72 3hw3 n ILE 79 Ca -0.01 -0.30 -0.39 0.00 0.56 0.00 0.00 62.75 62.61 3hw3 n ILE 79 Cb 0.51 -1.13 0.04 0.00 -0.75 0.00 0.00 39.64 38.32 3hw3 n ILE 79 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 3hw3 n GLU 80 N -3.05 1.77 0.00 0.38 4.07 -0.71 -2.85 120.64 120.25 3hw3 n GLU 80 Ca -0.26 0.65 0.00 0.00 -0.06 0.00 0.00 57.16 57.48 3hw3 n GLU 80 Cb 0.76 -2.55 0.00 0.00 -0.06 0.00 0.00 31.44 29.59 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 0.75 2.85 3.88 8.31 0.00 -1.26 -5.03 105.19 114.69 3hw3 n GLY 81 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 3hw3 n GLY 81 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hw3 s ARG 82 N -0.38 3.68 0.36 1.61 1.70 -1.13 -5.00 118.95 119.78 3hw3 s ARG 82 Ca 0.00 0.57 -0.27 0.00 -0.47 0.00 0.00 55.73 55.56 3hw3 s ARG 82 Cb 0.00 -2.24 -0.12 0.00 -0.57 0.00 0.00 34.95 32.02 3hw3 s ARG 82 CO 0.00 -0.30 1.16 -0.25 -1.08 0.00 0.00 175.30 174.83 3hw3 n ASP 83 N -2.10 2.06 0.16 -2.89 9.92 -1.26 -4.68 116.55 117.77 3hw3 n ASP 83 Ca 0.04 1.15 0.01 0.00 -0.53 0.00 0.00 54.79 55.46 3hw3 n ASP 83 Cb 0.54 -1.41 0.32 0.00 -0.64 0.00 0.00 41.12 39.93 3hw3 n ASP 83 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 3hw3 h ARG 84 N 2.12 0.05 -0.25 -1.24 3.08 -1.95 0.30 114.38 116.49 3hw3 h ARG 84 Ca -0.45 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.55 3hw3 h ARG 84 Cb 1.31 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 3hw3 h ARG 84 CO 0.60 0.43 0.02 1.15 -1.07 0.00 0.00 179.97 181.11 3hw3 h THR 85 N 0.05 1.24 -0.52 2.04 2.02 -1.99 -0.08 112.91 115.67 3hw3 h THR 85 Ca 0.00 -0.82 0.02 0.00 0.77 0.00 0.00 66.41 66.38 3hw3 h THR 85 Cb 0.71 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 3hw3 h THR 85 CO 0.05 0.26 0.32 -0.03 0.37 0.00 0.00 175.52 176.49 3hw3 h MET 86 N 0.21 0.62 -0.20 6.66 1.85 -1.76 -1.20 114.93 121.11 3hw3 h MET 86 Ca 0.07 -0.04 0.03 0.00 -0.61 0.00 0.00 59.70 59.16 3hw3 h MET 86 Cb 0.36 -0.14 -0.03 0.00 0.43 0.00 0.00 31.60 32.22 3hw3 h MET 86 CO 0.01 0.41 -0.01 0.00 -0.40 0.00 0.00 176.91 176.92 3hw3 h ALA 87 N 1.22 0.17 -0.10 0.39 0.00 -0.26 -0.79 119.26 119.88 3hw3 h ALA 87 Ca 0.20 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 3hw3 h ALA 87 Cb -0.01 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hw3 h ALA 87 CO -0.08 -0.44 -0.29 -1.49 0.00 0.00 0.00 179.25 176.95 3hw3 h TRP 88 N 0.05 0.20 -0.04 0.00 4.06 -0.88 -1.19 115.95 118.15 3hw3 h TRP 88 Ca 0.10 -0.04 -0.14 0.00 2.06 0.00 0.00 58.89 60.86 3hw3 h TRP 88 Cb 0.13 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.22 3hw3 h TRP 88 CO -0.19 0.47 -0.62 1.79 -3.56 0.00 0.00 178.44 176.33 3hw3 h THR 89 N 0.17 1.41 -0.32 1.49 1.35 -0.54 -0.50 112.91 115.97 3hw3 h THR 89 Ca 0.02 -2.05 -0.18 0.00 -0.55 0.00 0.00 66.41 63.66 3hw3 h THR 89 Cb 0.61 2.06 -0.00 0.00 -1.73 0.00 0.00 68.15 69.10 3hw3 h THR 89 CO 0.04 0.60 -0.49 -0.37 -0.25 0.00 0.00 175.52 175.05 3hw3 h VAL 90 N 0.12 1.27 -0.49 6.82 -1.51 -0.65 -0.62 116.25 121.19 3hw3 h VAL 90 Ca -0.01 -1.67 0.05 0.00 -1.23 0.00 0.00 66.70 63.84 3hw3 h VAL 90 Cb 1.12 1.56 -0.05 0.00 -2.13 0.00 0.00 31.29 31.79 3hw3 h VAL 90 CO 0.09 0.55 0.22 0.58 -1.23 0.00 0.00 177.57 177.78 3hw3 h VAL 91 N 0.69 0.90 -0.34 7.19 2.07 -1.10 -0.13 116.25 125.53 3hw3 h VAL 91 Ca 0.03 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 3hw3 h VAL 91 Cb 1.10 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3hw3 h VAL 91 CO 0.11 0.08 -0.07 0.78 0.02 0.00 0.00 177.57 178.49 3hw3 h ASN 92 N 0.43 0.65 -0.67 0.57 -0.26 -1.04 -0.99 115.58 114.27 3hw3 h ASN 92 Ca 0.23 -0.36 0.03 0.00 -0.56 0.00 0.00 56.30 55.64 3hw3 h ASN 92 Cb 0.18 -0.18 -0.04 0.00 -1.06 0.00 0.00 38.32 37.23 3hw3 h ASN 92 CO -0.19 0.85 0.42 -1.28 -1.06 0.00 0.00 177.43 176.17 3hw3 h SER 93 N 0.43 0.69 0.08 5.81 0.87 -0.89 -0.74 113.55 119.80 3hw3 h SER 93 Ca 0.09 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3hw3 h SER 93 Cb 0.56 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 3hw3 h SER 93 CO 0.03 0.48 -0.04 0.40 -0.53 0.00 0.00 176.83 177.18 3hw3 h ILE 94 N 0.82 1.01 -0.54 2.23 2.04 -0.98 -0.91 117.51 121.18 3hw3 h ILE 94 Ca 0.27 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.86 3hw3 h ILE 94 Cb 0.00 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 3hw3 h ILE 94 CO -0.10 0.07 0.36 0.00 0.00 0.00 0.00 178.15 178.48 3hw3 h ASN 96 N 0.66 0.00 0.13 0.00 -0.00 -1.05 -3.28 115.58 112.05 3hw3 h ASN 96 Ca 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.51 3hw3 h ASN 96 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.36 3hw3 h ASN 96 CO -0.05 0.21 -0.06 0.74 -0.00 0.00 0.00 177.43 178.26 3hw3 h THR 97 N 0.00 0.00 -3.74 6.14 2.02 -0.77 -3.44 112.91 113.12 3hw3 h THR 97 Ca -0.02 -0.80 -0.43 0.00 0.77 0.00 0.00 66.41 65.93 3hw3 h THR 97 Cb 1.18 0.00 0.18 0.00 -1.74 0.00 0.00 68.15 67.77 3hw3 h THR 97 CO 0.02 0.00 0.29 0.42 0.37 0.00 0.00 175.52 176.62 3hw3 s THR 98 N -2.12 1.80 -0.29 3.16 -4.23 -0.13 -4.96 115.64 108.87 3hw3 s THR 98 Ca -0.03 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.57 3hw3 s THR 98 Cb 0.00 -2.77 0.47 0.00 1.34 0.00 0.00 72.50 71.54 3hw3 s THR 98 CO 0.08 0.00 1.37 0.61 -0.54 0.00 0.00 174.62 176.14 3hw3 n GLY 99 N -2.51 5.32 3.77 3.99 0.00 -1.25 -4.59 105.19 109.91 3hw3 n GLY 99 Ca 0.15 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 3hw3 n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hw3 s VAL 100 N -3.59 2.28 0.24 1.61 1.01 -1.24 -4.96 120.40 115.75 3hw3 s VAL 100 Ca 0.45 0.26 -0.31 0.00 0.00 0.00 0.00 61.98 62.38 3hw3 s VAL 100 Cb 0.40 -3.17 -0.12 0.00 0.00 0.00 0.00 36.38 33.49 3hw3 s VAL 100 CO -0.02 0.06 1.64 1.21 0.00 0.00 0.00 175.10 177.99 3hw3 n GLU 101 N 1.14 2.66 -1.81 2.72 2.13 -1.26 -4.65 120.64 121.57 3hw3 n GLU 101 Ca 0.03 0.95 -0.42 0.00 0.66 0.00 0.00 57.16 58.38 3hw3 n GLU 101 Cb 0.40 -2.76 -0.03 0.00 0.27 0.00 0.00 31.44 29.32 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 0.38 4.16 0.57 5.31 2.20 -1.26 -5.01 119.74 126.10 3hw3 s LYS 102 Ca 0.71 2.48 -0.18 0.00 -0.36 0.00 0.00 55.97 58.61 3hw3 s LYS 102 Cb -0.52 -3.70 -0.05 0.00 -1.51 0.00 0.00 37.83 32.05 3hw3 s LYS 102 CO 0.40 -0.82 1.12 -1.25 -0.36 0.00 0.00 175.35 174.44 3hw3 s PRO 103 N 3.02 3.26 0.09 4.03 0.04 -1.26 -4.97 135.00 139.20 3hw3 s PRO 103 Ca 0.79 1.53 -0.13 0.00 0.04 0.00 0.00 61.00 63.23 3hw3 s PRO 103 Cb -0.42 -2.00 -0.19 0.00 0.04 0.00 0.00 34.50 31.93 3hw3 s PRO 103 CO 0.35 -0.91 1.25 0.87 0.04 0.00 0.00 177.00 178.61 3hw3 h LYS 104 N 0.92 0.75 -6.35 4.56 6.56 -1.95 -3.45 116.57 117.61 3hw3 h LYS 104 Ca -0.49 -0.70 -0.66 0.00 -1.06 0.00 0.00 60.65 57.74 3hw3 h LYS 104 Cb 1.25 0.17 -0.14 0.00 -0.57 0.00 0.00 32.23 32.95 3hw3 h LYS 104 CO 0.56 1.29 -0.68 -0.06 -2.06 0.00 0.00 179.45 178.50 3hw3 s PHE 105 N -3.54 2.93 0.14 -1.35 0.08 -1.26 -5.08 117.98 109.90 3hw3 s PHE 105 Ca -0.10 -0.04 -0.31 0.00 0.12 0.00 0.00 56.93 56.60 3hw3 s PHE 105 Cb 0.08 -1.55 -0.10 0.00 -0.57 0.00 0.00 43.02 40.88 3hw3 s PHE 105 CO 0.91 0.45 1.69 -0.51 -0.10 0.00 0.00 175.22 177.66 3hw3 s LEU 106 N -2.02 4.38 0.00 -0.37 1.43 -1.26 -5.00 118.68 115.83 3hw3 s LEU 106 Ca 0.22 2.69 -0.00 0.00 -1.03 0.00 0.00 54.13 56.01 3hw3 s LEU 106 Cb -0.11 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.53 3hw3 s LEU 106 CO 0.14 -0.92 0.05 -0.81 0.23 0.00 0.00 176.35 175.04 3hw3 n PRO 107 N 4.79 0.27 -0.12 1.29 -0.04 -1.26 -5.06 135.00 134.87 3hw3 n PRO 107 Ca 0.16 -0.09 -0.16 0.00 -0.04 0.00 0.00 63.50 63.36 3hw3 n PRO 107 Cb 0.38 -0.04 -0.12 0.00 -0.04 0.00 0.00 33.50 33.68 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 -3.01 1.93 -4.17 3.54 8.00 -0.01 -4.17 116.55 118.66 3hw3 n ASP 108 Ca 0.01 -0.12 -0.11 0.00 0.71 0.00 0.00 54.79 55.28 3hw3 n ASP 108 Cb 0.02 -0.27 -0.10 0.00 -0.02 0.00 0.00 41.12 40.76 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 -6.34 2.15 -0.09 0.64 1.43 -0.84 -0.44 118.68 115.19 3hw3 s LEU 109 Ca -0.31 -1.12 0.04 0.00 -1.03 0.00 0.00 54.13 51.71 3hw3 s LEU 109 Cb 0.08 0.10 -0.01 0.00 0.03 0.00 0.00 46.19 46.39 3hw3 s LEU 109 CO 0.59 -0.60 -0.22 -0.47 0.23 0.00 0.00 176.35 175.87 3hw3 s TYR 110 N -3.82 2.57 -0.44 0.29 5.04 -0.01 -0.95 117.35 120.03 3hw3 s TYR 110 Ca 0.19 -0.87 -0.16 0.00 -2.44 0.00 0.00 57.07 53.79 3hw3 s TYR 110 Cb 0.07 -1.70 0.04 0.00 0.35 0.00 0.00 41.96 40.72 3hw3 s TYR 110 CO -0.01 -0.31 0.36 0.34 -1.34 0.00 0.00 175.55 174.59 3hw3 s ASP 111 N 0.17 6.14 0.51 4.32 3.68 0.31 -0.67 116.67 131.13 3hw3 s ASP 111 Ca -0.13 -1.05 0.31 0.00 2.13 0.00 0.00 52.55 53.82 3hw3 s ASP 111 Cb -0.16 -2.18 1.16 0.00 -1.45 0.00 0.00 42.92 40.29 3hw3 s ASP 111 CO 0.07 -0.56 1.90 1.88 0.13 0.00 0.00 175.17 178.59 3hw3 h TYR 112 N 8.70 0.00 0.00 -5.34 0.05 -0.44 0.13 116.97 120.07 3hw3 h TYR 112 Ca -0.28 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.50 3hw3 h TYR 112 Cb 1.11 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.85 3hw3 h TYR 112 CO 0.60 0.00 -0.00 -0.22 -1.05 0.00 0.00 178.16 177.49 3hw3 h LYS 113 N 0.00 -0.00 -0.00 4.88 3.64 -1.93 -3.34 116.57 119.81 3hw3 h LYS 113 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hw3 h LYS 113 Cb 0.60 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3hw3 h LYS 113 CO 0.00 0.93 -0.23 0.39 -2.27 0.00 0.00 179.45 178.27 3hw3 n GLU 114 N -4.63 0.41 -3.68 1.90 -0.58 -1.23 -4.98 120.64 107.85 3hw3 n GLU 114 Ca -0.10 -0.18 -0.29 0.00 -0.42 0.00 0.00 57.16 56.17 3hw3 n GLU 114 Cb 0.45 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.85 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 -1.13 -5.38 -3.55 1.62 3.02 0.41 -5.02 115.26 105.24 3hw3 n ASN 115 Ca 0.10 -0.95 -0.17 0.00 -0.03 0.00 0.00 54.58 53.53 3hw3 n ASN 115 Cb 0.32 -3.12 -0.06 0.00 -0.61 0.00 0.00 39.78 36.31 3hw3 n ASN 115 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hw3 s ARG 116 N -5.72 1.03 0.59 3.52 1.70 -0.99 -5.00 118.95 114.08 3hw3 s ARG 116 Ca 0.37 0.09 -0.13 0.00 -0.47 0.00 0.00 55.73 55.59 3hw3 s ARG 116 Cb -0.14 0.48 -0.05 0.00 -0.57 0.00 0.00 34.95 34.67 3hw3 s ARG 116 CO 0.87 -0.34 1.02 -0.06 -1.08 0.00 0.00 175.30 175.71 3hw3 s PHE 117 N -1.56 3.45 -0.03 5.89 0.40 -1.26 -0.53 117.98 124.34 3hw3 s PHE 117 Ca -0.10 1.39 0.02 0.00 -0.60 0.00 0.00 56.93 57.64 3hw3 s PHE 117 Cb -0.01 -2.79 0.01 0.00 0.51 0.00 0.00 43.02 40.74 3hw3 s PHE 117 CO 0.06 -0.68 -0.09 0.42 0.70 0.00 0.00 175.22 175.63 3hw3 s ILE 118 N -2.91 0.80 -0.23 0.64 1.01 -0.12 -1.06 121.20 119.32 3hw3 s ILE 118 Ca 0.57 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.79 3hw3 s ILE 118 Cb -0.11 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 3hw3 s ILE 118 CO 0.45 0.26 0.10 -0.70 0.00 0.00 0.00 174.94 175.05 3hw3 s GLU 119 N 0.32 3.88 -0.21 2.79 2.56 0.11 -0.83 118.70 127.32 3hw3 s GLU 119 Ca -0.05 -0.37 -0.11 0.00 0.00 0.00 0.00 54.97 54.44 3hw3 s GLU 119 Cb -0.10 -3.38 -0.05 0.00 2.00 0.00 0.00 34.13 32.61 3hw3 s GLU 119 CO 0.01 0.02 0.18 0.42 -0.56 0.00 0.00 175.26 175.32 3hw3 s ILE 120 N 1.11 5.36 0.10 -3.70 -1.09 -1.26 -0.71 121.20 121.01 3hw3 s ILE 120 Ca 0.05 0.26 0.09 0.00 -2.23 0.00 0.00 60.65 58.83 3hw3 s ILE 120 Cb -0.14 -3.52 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 3hw3 s ILE 120 CO 0.04 0.38 -0.24 -0.83 -1.23 0.00 0.00 174.94 173.06 3hw3 s GLY 121 N 0.70 1.38 -0.06 6.18 0.00 -0.02 -4.98 107.32 110.51 3hw3 s GLY 121 Ca 0.09 -1.31 0.02 0.00 0.00 0.00 0.00 44.72 43.52 3hw3 s GLY 121 CO 0.02 -1.28 -0.09 0.14 0.00 0.00 0.00 173.10 171.89 3hw3 s VAL 122 N -1.02 0.92 0.02 1.40 1.01 -1.26 -1.21 120.40 120.26 3hw3 s VAL 122 Ca 0.10 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.79 3hw3 s VAL 122 Cb -0.10 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 3hw3 s VAL 122 CO 0.04 0.31 -0.14 0.28 0.00 0.00 0.00 175.10 175.60 3hw3 s THR 123 N 0.82 1.08 -2.45 3.92 -1.32 -0.02 -4.96 115.64 112.72 3hw3 s THR 123 Ca -0.12 -0.81 0.25 0.00 -1.21 0.00 0.00 61.69 59.80 3hw3 s THR 123 Cb -0.15 -0.95 0.49 0.00 -1.51 0.00 0.00 72.50 70.38 3hw3 s THR 123 CO 0.02 0.13 1.64 -2.11 -2.21 0.00 0.00 174.62 172.09 3hw3 n ARG 124 N 2.27 1.75 0.00 7.08 1.85 -1.26 -2.73 116.66 125.63 3hw3 n ARG 124 Ca -0.16 -1.11 0.00 0.00 -1.00 0.00 0.00 57.85 55.58 3hw3 n ARG 124 Cb 0.55 -1.45 0.00 0.00 -1.05 0.00 0.00 32.46 30.51 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 0.34 3.42 -3.10 2.89 1.74 -1.26 -4.86 116.66 115.82 3hw3 n ARG 125 Ca 0.18 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.87 3hw3 n ARG 125 Cb 0.37 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.75 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 3.94 4.41 0.19 5.56 2.02 -1.26 -4.84 118.70 128.71 3hw3 s GLU 126 Ca 0.00 0.95 -0.09 0.00 0.02 0.00 0.00 54.97 55.85 3hw3 s GLU 126 Cb 0.00 -3.29 0.09 0.00 0.10 0.00 0.00 34.13 31.03 3hw3 s GLU 126 CO 0.00 0.50 1.67 -0.39 0.02 0.00 0.00 175.26 177.06 3hw3 h VAL 127 N 3.68 1.26 -0.32 2.63 -1.51 -1.94 -2.73 116.25 117.33 3hw3 h VAL 127 Ca -0.47 -1.07 0.07 0.00 -1.23 0.00 0.00 66.70 64.01 3hw3 h VAL 127 Cb 1.21 0.68 -0.07 0.00 -2.13 0.00 0.00 31.29 30.98 3hw3 h VAL 127 CO 0.67 0.40 -0.16 -0.74 -1.23 0.00 0.00 177.57 176.50 3hw3 h HIS 128 N 1.01 -0.40 -0.31 5.19 6.17 -1.95 0.23 115.15 125.09 3hw3 h HIS 128 Ca 0.19 0.04 -0.05 0.00 0.71 0.00 0.00 60.37 61.26 3hw3 h HIS 128 Cb 0.47 0.22 -0.01 0.00 2.52 0.00 0.00 27.41 30.61 3hw3 h HIS 128 CO 0.03 -0.24 0.02 1.15 0.71 0.00 0.00 177.93 179.61 3hw3 h THR 129 N -0.12 1.25 -0.38 6.26 2.02 -1.95 -2.25 112.91 117.73 3hw3 h THR 129 Ca 0.16 -0.90 -0.06 0.00 0.77 0.00 0.00 66.41 66.38 3hw3 h THR 129 Cb 0.36 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 3hw3 h THR 129 CO -0.39 0.29 -0.02 0.22 0.37 0.00 0.00 175.52 176.00 3hw3 h TYR 130 N 0.35 0.65 -0.04 3.16 3.20 -1.27 -0.65 116.97 122.37 3hw3 h TYR 130 Ca 0.09 -0.08 0.03 0.00 3.14 0.00 0.00 58.73 61.91 3hw3 h TYR 130 Cb 0.40 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 3hw3 h TYR 130 CO 0.03 0.63 -0.13 -0.92 -1.64 0.00 0.00 178.16 176.14 3hw3 h TYR 131 N 0.58 -0.32 -0.67 -3.82 3.20 -0.32 -1.55 116.97 114.08 3hw3 h TYR 131 Ca 0.12 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 3hw3 h TYR 131 Cb 0.40 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 3hw3 h TYR 131 CO 0.02 -0.19 0.37 -0.07 -1.64 0.00 0.00 178.16 176.65 3hw3 h LEU 132 N -0.20 0.83 -0.33 2.82 3.38 -1.01 0.52 115.31 121.32 3hw3 h LEU 132 Ca 0.06 -0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.00 3hw3 h LEU 132 Cb 0.27 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 3hw3 h LEU 132 CO -0.15 0.68 -0.12 -0.33 0.09 0.00 0.00 178.44 178.61 3hw3 h GLU 133 N 0.91 -0.06 -0.55 1.13 5.08 -0.95 -0.44 114.58 119.70 3hw3 h GLU 133 Ca 0.23 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3hw3 h GLU 133 Cb 0.04 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3hw3 h GLU 133 CO -0.04 -0.04 0.29 -0.22 -1.00 0.00 0.00 179.01 178.01 3hw3 h LYS 134 N -0.06 0.77 -0.31 2.33 1.63 -0.87 -1.20 116.57 118.87 3hw3 h LYS 134 Ca 0.17 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 3hw3 h LYS 134 Cb 0.31 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 3hw3 h LYS 134 CO -0.38 0.60 0.14 0.00 -3.45 0.00 0.00 179.45 176.36 3hw3 h ALA 135 N 1.12 1.66 0.00 5.00 0.00 -0.33 -2.58 119.26 124.14 3hw3 h ALA 135 Ca 0.19 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3hw3 h ALA 135 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3hw3 h ALA 135 CO -0.03 0.27 -1.14 -0.91 0.00 0.00 0.00 179.25 177.44 3hw3 h ASN 136 N 0.43 0.00 0.04 0.00 -0.26 -0.57 -1.92 115.58 113.30 3hw3 h ASN 136 Ca 0.11 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.85 3hw3 h ASN 136 Cb 0.07 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.33 3hw3 h ASN 136 CO -0.01 0.28 -0.02 0.50 -1.06 0.00 0.00 177.43 177.12 3hw3 h LYS 137 N 0.00 -0.05 0.00 0.81 3.64 -1.03 -3.36 116.57 116.58 3hw3 h LYS 137 Ca -0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3hw3 h LYS 137 Cb 1.28 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3hw3 h LYS 137 CO 0.02 0.32 -0.63 0.44 -2.27 0.00 0.00 179.45 177.33 3hw3 n ILE 138 N -4.94 0.16 -3.78 2.00 -5.35 -0.99 -4.93 119.36 101.53 3hw3 n ILE 138 Ca -0.08 -0.14 -0.29 0.00 -0.27 0.00 0.00 62.75 61.96 3hw3 n ILE 138 Cb 0.21 0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.21 3hw3 n ILE 138 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3hw3 n LYS 139 N -1.80 -4.25 0.00 6.28 4.01 -0.73 -4.79 118.16 116.88 3hw3 n LYS 139 Ca 0.04 0.52 0.00 0.00 -0.51 0.00 0.00 58.31 58.36 3hw3 n LYS 139 Cb 0.39 -5.32 0.00 0.00 -0.51 0.00 0.00 35.03 29.60 3hw3 n LYS 139 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 3hw3 n SER 140 N -2.60 0.00 0.00 4.39 3.41 -1.20 -4.74 113.62 112.88 3hw3 n SER 140 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 3hw3 n SER 140 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3hw3 n SER 140 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3hw3 n GLU 141 N -3.03 0.00 0.15 4.33 0.28 -1.26 -2.01 120.64 119.10 3hw3 n GLU 141 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.06 3hw3 n GLU 141 Cb 0.00 0.00 0.06 0.00 1.43 0.00 0.00 31.44 32.93 3hw3 n GLU 141 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 3hw3 h LYS 142 N 0.00 0.00 -6.23 3.44 1.57 -1.99 -3.45 116.57 109.91 3hw3 h LYS 142 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 3hw3 h LYS 142 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3hw3 h LYS 142 CO 0.00 0.26 0.83 0.99 -0.57 0.00 0.00 179.45 180.95 3hw3 s THR 143 N -3.08 4.20 0.50 -0.16 2.01 -0.85 -4.59 115.64 113.67 3hw3 s THR 143 Ca 0.04 1.49 -0.20 0.00 0.31 0.00 0.00 61.69 63.33 3hw3 s THR 143 Cb 0.07 -3.96 -0.08 0.00 0.01 0.00 0.00 72.50 68.54 3hw3 s THR 143 CO 0.73 -0.07 1.04 -2.28 -0.69 0.00 0.00 174.62 173.35 3hw3 s HIS 144 N 2.93 3.01 -0.08 4.92 2.46 -0.22 -4.79 115.29 123.50 3hw3 s HIS 144 Ca 0.57 1.57 0.02 0.00 0.47 0.00 0.00 55.06 57.69 3hw3 s HIS 144 Cb -0.24 -3.05 0.01 0.00 -0.13 0.00 0.00 32.58 29.17 3hw3 s HIS 144 CO 0.19 -0.84 -0.14 0.42 -2.47 0.00 0.00 174.74 171.89 3hw3 s ILE 145 N -2.05 1.34 -0.16 0.89 1.01 -1.26 0.07 121.20 121.05 3hw3 s ILE 145 Ca 0.67 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.74 3hw3 s ILE 145 Cb -0.16 -1.21 0.02 0.00 0.01 0.00 0.00 42.46 41.12 3hw3 s ILE 145 CO 0.22 0.40 -0.14 -2.28 0.00 0.00 0.00 174.94 173.14 3hw3 s HIS 146 N 0.75 2.25 -0.09 3.97 2.46 0.11 -0.99 115.29 123.74 3hw3 s HIS 146 Ca -0.12 -1.29 0.00 0.00 0.47 0.00 0.00 55.06 54.11 3hw3 s HIS 146 Cb -0.16 -1.63 -0.03 0.00 -0.13 0.00 0.00 32.58 30.64 3hw3 s HIS 146 CO 0.03 -0.69 -0.08 0.42 -2.47 0.00 0.00 174.74 171.94 3hw3 s ILE 147 N 1.46 3.53 0.06 0.89 -1.09 0.64 -0.84 121.20 125.86 3hw3 s ILE 147 Ca 0.04 -0.52 0.09 0.00 -2.23 0.00 0.00 60.65 58.03 3hw3 s ILE 147 Cb -0.13 -2.46 -0.03 0.00 -1.58 0.00 0.00 42.46 38.25 3hw3 s ILE 147 CO -0.11 0.56 -0.24 -0.36 -1.23 0.00 0.00 174.94 173.57 3hw3 s PHE 148 N -0.35 2.09 0.42 3.97 0.40 -0.35 -1.49 117.98 122.67 3hw3 s PHE 148 Ca 0.05 -0.39 0.07 0.00 -0.60 0.00 0.00 56.93 56.05 3hw3 s PHE 148 Cb -0.12 -1.22 -0.05 0.00 0.51 0.00 0.00 43.02 42.14 3hw3 s PHE 148 CO 0.02 0.16 0.19 -1.54 0.70 0.00 0.00 175.22 174.75 3hw3 s SER 149 N -1.41 4.44 0.40 1.36 1.04 -0.58 -0.84 113.70 118.11 3hw3 s SER 149 Ca 0.10 -1.08 0.21 0.00 0.48 0.00 0.00 55.95 55.66 3hw3 s SER 149 Cb -0.10 -0.45 0.30 0.00 0.10 0.00 0.00 66.02 65.87 3hw3 s SER 149 CO 0.03 -0.56 1.58 -0.26 0.98 0.00 0.00 173.24 175.00 3hw3 h PHE 150 N 1.40 0.00 -0.00 5.02 -1.00 -1.84 -3.14 116.94 117.38 3hw3 h PHE 150 Ca -0.43 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.35 3hw3 h PHE 150 Cb 1.25 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.81 3hw3 h PHE 150 CO 0.64 0.14 -0.05 0.25 -1.61 0.00 0.00 178.31 177.69 3hw3 n THR 151 N -3.14 0.00 0.00 -1.55 -2.24 -1.26 -3.78 114.28 102.31 3hw3 n THR 151 Ca 0.03 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3hw3 n THR 151 Cb 0.58 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 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 1.29 0.54 3.88 3.38 0.00 -1.19 -5.06 105.19 108.04 3hw3 n GLY 152 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 3.28 0.10 1.61 2.02 -1.26 -4.90 118.70 118.79 3hw3 s GLU 153 Ca 0.00 0.60 -0.09 0.00 0.02 0.00 0.00 54.97 55.50 3hw3 s GLU 153 Cb 0.00 -2.07 0.00 0.00 0.10 0.00 0.00 34.13 32.16 3hw3 s GLU 153 CO 0.00 -0.75 0.23 -1.83 0.02 0.00 0.00 175.26 172.92 3hw3 s GLU 154 N -5.24 0.92 -0.15 1.61 -1.05 -1.26 -1.53 118.70 111.99 3hw3 s GLU 154 Ca 0.56 -0.97 -0.10 0.00 -0.15 0.00 0.00 54.97 54.32 3hw3 s GLU 154 Cb -0.11 0.36 0.05 0.00 -0.44 0.00 0.00 34.13 33.99 3hw3 s GLU 154 CO 0.53 -0.31 0.38 -1.64 0.95 0.00 0.00 175.26 175.16 3hw3 s MET 155 N -3.87 0.37 0.04 -4.83 -1.94 -0.56 -5.00 119.30 103.52 3hw3 s MET 155 Ca 0.07 0.68 0.00 0.00 -1.71 0.00 0.00 55.69 54.73 3hw3 s MET 155 Cb 0.04 0.02 -0.03 0.00 2.01 0.00 0.00 34.83 36.87 3hw3 s MET 155 CO -0.09 -0.13 -0.04 0.00 -0.01 0.00 0.00 175.02 174.75 3hw3 s ALA 156 N 1.08 0.43 0.04 3.03 0.00 -1.26 -0.26 121.76 124.82 3hw3 s ALA 156 Ca -0.07 -0.95 -0.36 0.00 0.00 0.00 0.00 51.96 50.58 3hw3 s ALA 156 Cb -0.07 0.19 -0.15 0.00 0.00 0.00 0.00 23.12 23.09 3hw3 s ALA 156 CO -0.09 -0.24 1.54 2.41 0.00 0.00 0.00 175.76 179.39 3hw3 n THR 157 N 0.78 0.11 -2.35 0.00 -1.04 -0.16 -1.56 114.28 110.06 3hw3 n THR 157 Ca -0.18 -0.02 -0.20 0.00 -2.04 0.00 0.00 64.05 61.61 3hw3 n THR 157 Cb 0.58 -1.26 -0.01 0.00 -1.82 0.00 0.00 70.33 67.82 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 3.72 -1.74 -3.70 -2.82 5.02 -1.26 -1.25 118.16 116.14 3hw3 n LYS 158 Ca 0.19 0.97 -0.28 0.00 -2.02 0.00 0.00 58.31 57.18 3hw3 n LYS 158 Cb 0.23 -5.61 -0.02 0.00 -0.02 0.00 0.00 35.03 29.61 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 -1.82 -1.13 -3.38 7.82 0.00 -0.60 -4.94 120.51 116.45 3hw3 n ALA 159 Ca -0.23 0.03 -0.37 0.00 0.00 0.00 0.00 53.44 52.87 3hw3 n ALA 159 Cb 0.68 -2.91 -0.13 0.00 0.00 0.00 0.00 19.45 17.08 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 -2.91 5.08 0.00 0.00 -1.08 -0.38 -5.00 116.67 112.38 3hw3 s ASP 160 Ca 0.53 -1.08 0.26 0.00 -0.52 0.00 0.00 52.55 51.74 3hw3 s ASP 160 Cb -0.29 -1.81 0.62 0.00 -1.46 0.00 0.00 42.92 39.98 3hw3 s ASP 160 CO 0.65 -0.27 1.49 -1.22 0.52 0.00 0.00 175.17 176.35 3hw3 n TYR 161 N 4.76 0.00 0.00 -5.34 4.02 -1.26 -4.38 117.16 114.96 3hw3 n TYR 161 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.76 3hw3 n TYR 161 Cb 0.45 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.75 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 0.33 0.00 -2.96 -0.72 -1.04 -1.26 -4.80 114.28 103.83 3hw3 n THR 162 Ca 0.15 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.90 3hw3 n THR 162 Cb 0.44 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.94 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 3.80 0.78 -4.42 1.43 -1.26 -5.08 118.68 113.92 3hw3 s LEU 163 Ca 0.00 0.74 -0.11 0.00 -1.03 0.00 0.00 54.13 53.73 3hw3 s LEU 163 Cb 0.00 -3.65 0.06 0.00 0.03 0.00 0.00 46.19 42.62 3hw3 s LEU 163 CO 0.00 -0.45 1.09 1.51 0.23 0.00 0.00 176.35 178.73 3hw3 s ASP 164 N -4.02 4.66 0.30 2.29 3.84 -1.26 -4.82 116.67 117.66 3hw3 s ASP 164 Ca 0.44 1.43 0.05 0.00 -0.00 0.00 0.00 52.55 54.48 3hw3 s ASP 164 Cb -0.10 -2.20 0.69 0.00 -1.38 0.00 0.00 42.92 39.93 3hw3 s ASP 164 CO 0.41 -1.88 1.81 -0.33 -0.00 0.00 0.00 175.17 175.18 3hw3 h GLU 165 N -1.02 0.81 -0.03 2.11 4.39 -1.98 -2.16 114.58 116.71 3hw3 h GLU 165 Ca -0.46 -0.05 -0.21 0.00 0.34 0.00 0.00 59.36 58.98 3hw3 h GLU 165 Cb 1.25 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3hw3 h GLU 165 CO 0.58 0.54 -0.86 1.49 -1.16 0.00 0.00 179.01 179.59 3hw3 h GLU 166 N 0.84 0.39 -0.39 2.33 4.81 -1.99 -0.79 114.58 119.78 3hw3 h GLU 166 Ca 0.54 -0.38 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3hw3 h GLU 166 Cb 0.74 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 3hw3 h GLU 166 CO -0.32 1.05 0.22 0.77 -0.73 0.00 0.00 179.01 180.00 3hw3 h SER 167 N 0.23 0.48 -0.07 1.04 0.02 -1.78 -2.22 113.55 111.27 3hw3 h SER 167 Ca -0.06 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 60.74 3hw3 h SER 167 Cb 1.48 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 3hw3 h SER 167 CO 0.15 0.42 -0.17 0.03 -1.14 0.00 0.00 176.83 176.12 3hw3 h ARG 168 N 0.50 0.43 -0.36 3.45 3.08 -1.33 -2.90 114.38 117.24 3hw3 h ARG 168 Ca 0.14 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 3hw3 h ARG 168 Cb 0.04 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3hw3 h ARG 168 CO -0.02 0.60 -0.11 0.00 -1.07 0.00 0.00 179.97 179.37 3hw3 h ALA 169 N 1.43 1.14 -0.40 0.04 0.00 -0.86 -0.98 119.26 119.62 3hw3 h ALA 169 Ca 0.07 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 3hw3 h ALA 169 Cb 0.53 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3hw3 h ALA 169 CO 0.03 0.54 -0.16 0.00 0.00 0.00 0.00 179.25 179.67 3hw3 h ARG 170 N 0.58 0.76 -0.43 0.00 3.08 -1.20 0.19 114.38 117.35 3hw3 h ARG 170 Ca 0.10 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.84 3hw3 h ARG 170 Cb 0.52 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 3hw3 h ARG 170 CO 0.03 0.87 0.09 0.82 -1.07 0.00 0.00 179.97 180.71 3hw3 h ILE 171 N 0.67 1.24 -0.88 2.04 2.04 -1.43 -1.54 117.51 119.66 3hw3 h ILE 171 Ca 0.11 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 3hw3 h ILE 171 Cb 0.65 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 3hw3 h ILE 171 CO 0.05 0.30 0.46 0.11 0.00 0.00 0.00 178.15 179.06 3hw3 h LYS 172 N 0.56 1.24 -0.47 2.37 1.57 -0.87 -1.70 116.57 119.27 3hw3 h LYS 172 Ca 0.13 -0.16 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3hw3 h LYS 172 Cb 0.35 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 3hw3 h LYS 172 CO 0.01 0.93 0.27 0.00 -0.57 0.00 0.00 179.45 180.08 3hw3 h THR 173 N 1.24 1.02 -0.45 -0.16 1.03 -0.44 -1.55 112.91 113.60 3hw3 h THR 173 Ca 0.31 -0.18 -0.02 0.00 -0.01 0.00 0.00 66.41 66.50 3hw3 h THR 173 Cb 0.07 0.44 -0.02 0.00 -1.07 0.00 0.00 68.15 67.57 3hw3 h THR 173 CO -0.04 0.10 0.20 -0.09 -0.01 0.00 0.00 175.52 175.67 3hw3 h ARG 174 N 0.53 0.66 -0.57 0.00 9.65 -0.90 -2.13 114.38 121.63 3hw3 h ARG 174 Ca 0.20 -0.11 -0.06 0.00 -1.10 0.00 0.00 59.98 58.90 3hw3 h ARG 174 Cb 0.05 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 3hw3 h ARG 174 CO -0.11 0.58 0.11 -0.07 2.80 0.00 0.00 179.97 183.29 3hw3 h LEU 175 N 0.58 0.88 -0.46 3.80 3.38 -1.11 -1.28 115.31 121.10 3hw3 h LEU 175 Ca 0.15 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 57.96 3hw3 h LEU 175 Cb 0.16 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 40.58 3hw3 h LEU 175 CO -0.02 0.90 -0.37 -0.26 0.09 0.00 0.00 178.44 178.79 3hw3 h PHE 176 N 0.82 -1.05 -0.21 1.13 -1.00 -1.24 -1.04 116.94 114.35 3hw3 h PHE 176 Ca 0.17 0.07 -0.00 0.00 2.81 0.00 0.00 57.97 61.02 3hw3 h PHE 176 Cb 0.39 0.53 -0.01 0.00 3.61 0.00 0.00 35.95 40.46 3hw3 h PHE 176 CO 0.03 -0.40 0.13 1.15 -1.61 0.00 0.00 178.31 177.60 3hw3 h THR 177 N -0.25 1.08 -0.02 -1.55 2.02 -0.90 -1.20 112.91 112.08 3hw3 h THR 177 Ca 0.18 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 67.21 3hw3 h THR 177 Cb 0.56 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.75 3hw3 h THR 177 CO -0.60 0.07 -0.16 0.40 0.37 0.00 0.00 175.52 175.60 3hw3 h ILE 178 N 0.26 0.60 -0.69 3.11 2.04 -1.18 -1.75 117.51 119.90 3hw3 h ILE 178 Ca 0.08 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.02 3hw3 h ILE 178 Cb 0.00 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 3hw3 h ILE 178 CO -0.01 0.00 0.36 -0.09 0.00 0.00 0.00 178.15 178.40 3hw3 h ARG 179 N -0.26 0.61 -0.02 2.37 1.12 -0.92 -1.19 114.38 116.09 3hw3 h ARG 179 Ca 0.06 -0.04 -0.18 0.00 -1.11 0.00 0.00 59.98 58.71 3hw3 h ARG 179 Cb 0.34 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.15 3hw3 h ARG 179 CO -0.18 0.40 -0.79 -0.56 -3.11 0.00 0.00 179.97 175.74 3hw3 h GLN 180 N 0.63 0.21 -0.20 0.20 -0.00 -1.06 -0.01 115.11 114.88 3hw3 h GLN 180 Ca 0.33 -0.20 -0.05 0.00 -0.00 0.00 0.00 58.65 58.73 3hw3 h GLN 180 Cb 0.30 0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.83 3hw3 h GLN 180 CO -0.24 0.89 -0.09 1.49 -0.00 0.00 0.00 178.83 180.88 3hw3 h GLU 181 N 0.13 0.41 -0.12 0.06 4.57 -1.09 -1.41 114.58 117.12 3hw3 h GLU 181 Ca -0.03 -0.18 0.04 0.00 -1.18 0.00 0.00 59.36 58.01 3hw3 h GLU 181 Cb 1.37 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.90 3hw3 h GLU 181 CO 0.12 0.70 -0.16 0.52 -1.18 0.00 0.00 179.01 179.00 3hw3 h MET 182 N 0.10 -0.20 -0.86 1.92 2.86 -1.18 -2.98 114.93 114.59 3hw3 h MET 182 Ca 0.04 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.77 3hw3 h MET 182 Cb 0.57 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.21 3hw3 h MET 182 CO 0.03 -0.13 0.53 0.00 1.06 0.00 0.00 176.91 178.39 3hw3 h ALA 183 N 0.83 1.19 -0.97 6.32 0.00 -0.87 -0.11 119.26 125.64 3hw3 h ALA 183 Ca 0.09 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.16 3hw3 h ALA 183 Cb 0.34 -0.22 -0.09 0.00 0.00 0.00 0.00 17.79 17.82 3hw3 h ALA 183 CO -0.25 0.26 0.61 0.77 0.00 0.00 0.00 179.25 180.64 3hw3 h SER 184 N 0.95 0.77 -0.16 0.00 0.02 -1.17 -2.38 113.55 111.58 3hw3 h SER 184 Ca 0.38 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 3hw3 h SER 184 Cb 0.20 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.66 3hw3 h SER 184 CO -0.18 0.34 0.00 0.54 -1.14 0.00 0.00 176.83 176.39 3hw3 n ARG 185 N -4.65 1.77 -0.94 3.45 1.74 -0.81 -4.89 116.66 112.33 3hw3 n ARG 185 Ca 0.20 -1.15 0.00 0.00 -0.77 0.00 0.00 57.85 56.13 3hw3 n ARG 185 Cb 0.50 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 3hw3 n ARG 185 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hw3 n GLY 186 N 1.15 0.46 0.04 -0.13 0.00 -0.90 -1.27 105.19 104.56 3hw3 n GLY 186 Ca 0.16 -0.64 0.11 0.00 0.00 0.00 0.00 46.02 45.66 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 0.33 -0.08 0.99 4.32 -0.12 -4.52 117.00 117.92 3hw3 n LEU 187 Ca 0.00 0.07 -0.12 0.00 -0.02 0.00 0.00 56.01 55.94 3hw3 n LEU 187 Cb 0.00 -0.02 0.01 0.00 -1.62 0.00 0.00 43.42 41.78 3hw3 n LEU 187 CO 0.00 -0.04 0.53 -0.25 -1.22 0.00 0.00 177.39 176.42 3hw3 h TRP 188 N 0.00 1.01 -0.28 -1.77 2.91 -1.84 -2.66 115.95 113.31 3hw3 h TRP 188 Ca 0.00 -0.31 0.05 0.00 1.13 0.00 0.00 58.89 59.75 3hw3 h TRP 188 Cb 0.96 -0.21 -0.04 0.00 -0.51 0.00 0.00 29.16 29.36 3hw3 h TRP 188 CO 0.00 1.11 0.02 -0.44 -1.03 0.00 0.00 178.44 178.10 3hw3 h ASP 189 N 0.67 -0.07 -0.17 2.65 3.32 -1.92 0.62 116.42 121.52 3hw3 h ASP 189 Ca 0.05 0.06 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 3hw3 h ASP 189 Cb 1.00 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.65 3hw3 h ASP 189 CO 0.10 -0.00 -0.36 -1.28 -1.72 0.00 0.00 179.24 175.98 3hw3 h SER 190 N 0.11 0.60 -0.57 6.45 0.87 -1.86 -1.25 113.55 117.91 3hw3 h SER 190 Ca 0.13 -0.56 0.11 0.00 -1.23 0.00 0.00 61.79 60.25 3hw3 h SER 190 Cb 0.17 -0.17 -0.09 0.00 -0.44 0.00 0.00 62.40 61.87 3hw3 h SER 190 CO -0.21 1.05 0.08 0.15 -0.53 0.00 0.00 176.83 177.37 3hw3 h PHE 191 N 0.18 0.11 -0.11 2.24 3.57 -1.08 -0.08 116.94 121.78 3hw3 h PHE 191 Ca 0.00 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 3hw3 h PHE 191 Cb 0.96 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 3hw3 h PHE 191 CO 0.10 -0.07 0.03 -0.09 -2.23 0.00 0.00 178.31 176.05 3hw3 h ARG 192 N 0.20 0.17 0.00 1.11 2.43 0.26 -3.20 114.38 115.35 3hw3 h ARG 192 Ca 0.29 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.38 3hw3 h ARG 192 Cb 0.44 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 3hw3 h ARG 192 CO -0.41 0.31 -0.21 -0.56 -1.51 0.00 0.00 179.97 177.59 3hw3 h GLN 193 N -0.01 0.00 0.00 0.20 -0.00 -0.87 -3.07 115.11 111.36 3hw3 h GLN 193 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 3hw3 h GLN 193 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.70 3hw3 h GLN 193 CO -0.00 0.21 0.00 -1.13 -0.00 0.00 0.00 178.83 177.91 3hw3 n SER 194 N -4.16 0.48 -4.68 0.06 3.41 -0.07 -4.85 113.62 103.81 3hw3 n SER 194 Ca -0.02 0.60 -0.48 0.00 -0.26 0.00 0.00 58.87 58.71 3hw3 n SER 194 Cb 0.28 -0.71 -0.05 0.00 -0.26 0.00 0.00 64.21 63.47 3hw3 n SER 194 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3hw3 n GLU 195 N -2.01 2.17 -0.08 4.33 2.13 -1.16 -4.88 120.64 121.14 3hw3 n GLU 195 Ca 0.03 0.79 -0.10 0.00 0.66 0.00 0.00 57.16 58.54 3hw3 n GLU 195 Cb 0.26 -2.63 -0.09 0.00 0.27 0.00 0.00 31.44 29.25 3hw3 n GLU 195 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3hw3 n ARG 196 N 6.02 0.90 -0.93 5.31 1.74 -1.26 -5.15 116.66 123.29 3hw3 n ARG 196 Ca 0.22 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 3hw3 n ARG 196 Cb 0.29 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 3hw3 n ARG 196 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52