#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 3.29 1.05 1.53 2.96 -1.26 -4.94 118.68 121.31 3hw3 s LEU -2 Ca 0.00 -1.55 -0.13 0.00 -0.22 0.00 0.00 54.13 52.23 3hw3 s LEU -2 Cb 0.00 -1.33 0.22 0.00 0.50 0.00 0.00 46.19 45.58 3hw3 s LEU -2 CO 0.00 -0.29 1.08 -0.83 -1.32 0.00 0.00 176.35 174.99 3hw3 s GLY -1 N 1.24 1.56 0.21 7.98 0.00 -1.26 -5.05 107.32 111.99 3hw3 s GLY -1 Ca 0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 44.72 44.32 3hw3 s GLY -1 CO -0.09 0.31 0.48 -1.35 0.00 0.00 0.00 173.10 172.44 3hw3 s SER 0 N -3.26 6.52 0.29 1.64 1.04 -1.26 -4.97 113.70 113.69 3hw3 s SER 0 Ca 0.66 0.71 -0.03 0.00 0.48 0.00 0.00 55.95 57.78 3hw3 s SER 0 Cb -0.20 -2.14 0.41 0.00 0.10 0.00 0.00 66.02 64.19 3hw3 s SER 0 CO 0.59 -0.06 1.94 -0.03 0.98 0.00 0.00 173.24 176.67 3hw3 h MET 1 N 2.40 1.10 -0.32 4.02 4.05 -1.96 -2.24 114.93 121.98 3hw3 h MET 1 Ca -0.47 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 58.86 3hw3 h MET 1 Cb 1.17 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 31.72 3hw3 h MET 1 CO 0.70 0.75 0.15 1.49 0.23 0.00 0.00 176.91 180.23 3hw3 h GLU 2 N 1.12 0.46 -0.92 0.39 4.81 -1.92 0.96 114.58 119.48 3hw3 h GLU 2 Ca 0.30 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.48 3hw3 h GLU 2 Cb -0.08 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.17 3hw3 h GLU 2 CO -0.06 0.42 0.61 -0.44 -0.73 0.00 0.00 179.01 178.81 3hw3 h ASP 3 N 0.37 1.04 -0.38 1.04 3.32 -1.94 -1.81 116.42 118.06 3hw3 h ASP 3 Ca 0.11 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3hw3 h ASP 3 Cb 0.12 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3hw3 h ASP 3 CO -0.01 0.74 0.21 0.15 -1.72 0.00 0.00 179.24 178.61 3hw3 h PHE 4 N 1.22 0.53 -0.63 4.55 3.57 -1.04 -2.22 116.94 122.91 3hw3 h PHE 4 Ca 0.35 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 3hw3 h PHE 4 Cb -0.10 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 3hw3 h PHE 4 CO -0.01 0.41 0.33 0.28 -2.23 0.00 0.00 178.31 177.09 3hw3 h VAL 5 N 0.49 1.21 0.00 1.41 2.07 -0.51 0.15 116.25 121.07 3hw3 h VAL 5 Ca 0.14 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 3hw3 h VAL 5 Cb 0.06 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3hw3 h VAL 5 CO -0.02 0.23 -0.06 0.03 0.02 0.00 0.00 177.57 177.77 3hw3 h ARG 6 N 0.87 0.00 0.00 1.57 3.08 -1.21 -1.87 114.38 116.81 3hw3 h ARG 6 Ca 0.22 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.06 3hw3 h ARG 6 Cb 0.08 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 3hw3 h ARG 6 CO -0.03 0.06 -1.63 1.04 -1.07 0.00 0.00 179.97 178.34 3hw3 n GLN 7 N -3.15 0.63 0.01 0.04 6.02 -0.85 -4.52 117.38 115.56 3hw3 n GLN 7 Ca 0.02 0.18 -0.16 0.00 -0.01 0.00 0.00 57.00 57.03 3hw3 n GLN 7 Cb 0.42 -1.75 -0.14 0.00 1.02 0.00 0.00 30.24 29.79 3hw3 n GLN 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hw3 s PHE 9 N -2.58 3.29 0.58 0.00 0.40 -0.72 -5.08 117.98 113.87 3hw3 s PHE 9 Ca -0.14 0.09 -0.18 0.00 -0.60 0.00 0.00 56.93 56.10 3hw3 s PHE 9 Cb 0.07 -1.62 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 3hw3 s PHE 9 CO 0.80 0.53 1.12 0.54 0.70 0.00 0.00 175.22 178.92 3hw3 s ASN 10 N -2.76 5.52 0.48 1.36 2.20 -1.26 -4.77 114.94 115.71 3hw3 s ASN 10 Ca 0.32 2.12 0.18 0.00 -0.94 0.00 0.00 52.86 54.53 3hw3 s ASN 10 Cb -0.12 -2.57 1.20 0.00 -2.00 0.00 0.00 41.25 37.76 3hw3 s ASN 10 CO 0.25 -1.35 2.01 -0.65 -2.94 0.00 0.00 177.10 174.41 3hw3 h PRO 11 N 0.81 0.19 -0.25 3.55 0.11 -1.97 -1.43 132.00 133.01 3hw3 h PRO 11 Ca -0.49 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3hw3 h PRO 11 Cb 1.26 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3hw3 h PRO 11 CO 0.56 0.13 0.10 1.98 -0.21 0.00 0.00 178.00 180.55 3hw3 h MET 12 N 0.20 0.37 -0.34 1.05 4.05 -1.99 0.32 114.93 118.59 3hw3 h MET 12 Ca 0.22 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.58 3hw3 h MET 12 Cb 0.62 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 3hw3 h MET 12 CO -0.04 0.42 0.22 0.82 0.23 0.00 0.00 176.91 178.57 3hw3 h ILE 13 N 0.25 1.10 -0.44 1.77 2.04 -1.77 -0.26 117.51 120.19 3hw3 h ILE 13 Ca 0.08 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3hw3 h ILE 13 Cb 0.19 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 3hw3 h ILE 13 CO -0.01 0.09 0.29 0.58 0.00 0.00 0.00 178.15 179.11 3hw3 h VAL 14 N 0.46 1.11 -0.45 1.67 2.07 -1.11 0.77 116.25 120.77 3hw3 h VAL 14 Ca 0.13 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 3hw3 h VAL 14 Cb -0.04 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3hw3 h VAL 14 CO -0.03 0.11 0.27 -0.08 0.02 0.00 0.00 177.57 177.86 3hw3 h GLU 15 N 0.59 0.61 -0.56 1.57 4.81 -0.78 0.35 114.58 121.18 3hw3 h GLU 15 Ca 0.16 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 3hw3 h GLU 15 Cb -0.07 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 3hw3 h GLU 15 CO -0.04 0.46 0.12 -0.07 -0.73 0.00 0.00 179.01 178.75 3hw3 h LEU 16 N 0.60 0.81 -0.48 1.64 3.38 -0.63 -1.80 115.31 118.84 3hw3 h LEU 16 Ca 0.16 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3hw3 h LEU 16 Cb 0.00 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3hw3 h LEU 16 CO -0.03 0.81 0.23 0.00 0.09 0.00 0.00 178.44 179.54 3hw3 h ALA 17 N 1.30 0.62 -0.65 1.53 0.00 -0.40 -0.50 119.26 121.15 3hw3 h ALA 17 Ca 0.18 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3hw3 h ALA 17 Cb 0.33 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3hw3 h ALA 17 CO 0.00 0.17 0.40 0.93 0.00 0.00 0.00 179.25 180.76 3hw3 h GLU 18 N 0.63 0.76 -0.32 0.00 5.08 -0.69 -2.18 114.58 117.86 3hw3 h GLU 18 Ca 0.16 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3hw3 h GLU 18 Cb 0.11 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3hw3 h GLU 18 CO -0.02 0.50 0.21 0.87 -1.00 0.00 0.00 179.01 179.57 3hw3 h LYS 19 N 0.78 0.41 -0.70 2.33 1.79 -1.04 -0.77 116.57 119.38 3hw3 h LYS 19 Ca 0.26 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.68 3hw3 h LYS 19 Cb 0.03 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.56 3hw3 h LYS 19 CO -0.11 0.27 0.30 0.00 -1.08 0.00 0.00 179.45 178.83 3hw3 h ALA 20 N 1.12 1.21 -0.16 3.86 0.00 -0.82 -2.30 119.26 122.17 3hw3 h ALA 20 Ca 0.12 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3hw3 h ALA 20 Cb -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.47 3hw3 h ALA 20 CO -0.03 0.58 -0.30 0.52 0.00 0.00 0.00 179.25 180.02 3hw3 h MET 21 N 1.00 0.50 -0.77 0.00 2.86 -1.25 -3.33 114.93 113.93 3hw3 h MET 21 Ca 0.24 -0.31 0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3hw3 h MET 21 Cb 0.16 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.81 3hw3 h MET 21 CO -0.02 0.92 0.48 0.87 1.06 0.00 0.00 176.91 180.22 3hw3 h LYS 22 N 0.13 0.91 0.00 1.72 1.57 -0.84 -0.31 116.57 119.76 3hw3 h LYS 22 Ca 0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3hw3 h LYS 22 Cb 0.89 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3hw3 h LYS 22 CO 0.07 0.60 0.00 -0.85 -0.57 0.00 0.00 179.45 178.70 3hw3 n GLU 23 N -4.63 0.19 -0.31 3.15 0.28 -0.89 0.15 120.64 118.57 3hw3 n GLU 23 Ca 0.09 0.15 0.10 0.00 -0.16 0.00 0.00 57.16 57.34 3hw3 n GLU 23 Cb 0.10 -1.50 0.27 0.00 1.43 0.00 0.00 31.44 31.74 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 -1.33 0.82 0.00 -1.84 4.02 -0.62 -4.97 117.16 113.24 3hw3 n TYR 24 Ca 0.07 -0.50 0.00 0.00 -0.01 0.00 0.00 57.90 57.46 3hw3 n TYR 24 Cb 0.14 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 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 1.26 2.81 3.77 2.72 0.00 0.40 -5.01 105.19 111.14 3hw3 n GLY 25 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.09 3.42 -0.19 1.61 2.02 -0.22 -4.86 118.70 120.39 3hw3 s GLU 26 Ca 0.00 1.72 -0.04 0.00 0.02 0.00 0.00 54.97 56.67 3hw3 s GLU 26 Cb 0.00 -2.13 -0.02 0.00 0.10 0.00 0.00 34.13 32.08 3hw3 s GLU 26 CO 0.00 -0.82 -0.03 0.34 0.02 0.00 0.00 175.26 174.77 3hw3 s ASP 27 N -1.58 4.65 0.23 -0.19 3.68 -1.26 -3.45 116.67 118.75 3hw3 s ASP 27 Ca 0.71 -0.23 -0.06 0.00 2.13 0.00 0.00 52.55 55.09 3hw3 s ASP 27 Cb -0.27 -1.78 0.34 0.00 -1.45 0.00 0.00 42.92 39.76 3hw3 s ASP 27 CO 0.31 0.08 1.80 -0.65 0.13 0.00 0.00 175.17 176.84 3hw3 h PRO 28 N 7.37 0.69 0.00 4.34 0.11 -1.92 0.13 132.00 142.72 3hw3 h PRO 28 Ca -0.35 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3hw3 h PRO 28 Cb 1.18 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3hw3 h PRO 28 CO 0.61 0.45 0.00 0.36 -0.21 0.00 0.00 178.00 179.21 3hw3 n LYS 29 N -4.79 0.04 -0.07 1.05 2.85 -1.26 -3.24 118.16 112.74 3hw3 n LYS 29 Ca 0.12 0.26 -0.09 0.00 -1.05 0.00 0.00 58.31 57.54 3hw3 n LYS 29 Cb 0.25 -1.58 -0.03 0.00 -0.65 0.00 0.00 35.03 33.02 3hw3 n LYS 29 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 3hw3 n ILE 30 N -1.66 1.44 -1.44 0.58 -0.00 -0.92 -4.68 119.36 112.68 3hw3 n ILE 30 Ca 0.04 0.14 -0.38 0.00 -0.00 0.00 0.00 62.75 62.55 3hw3 n ILE 30 Cb 0.20 -2.19 -0.03 0.00 -0.00 0.00 0.00 39.64 37.63 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 -4.28 3.81 -0.19 0.38 -0.58 -0.01 -4.80 120.64 114.97 3hw3 n GLU 31 Ca -0.14 -2.41 -0.08 0.00 -0.42 0.00 0.00 57.16 54.11 3hw3 n GLU 31 Cb 0.46 -2.72 0.02 0.00 -0.57 0.00 0.00 31.44 28.63 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 2.86 1.21 -0.38 2.62 1.35 -1.79 -1.54 112.91 117.23 3hw3 h THR 32 Ca 0.81 -0.63 -0.06 0.00 -0.55 0.00 0.00 66.41 65.98 3hw3 h THR 32 Cb 0.34 0.62 -0.02 0.00 -1.73 0.00 0.00 68.15 67.36 3hw3 h THR 32 CO 1.65 0.25 -0.03 0.78 -0.25 0.00 0.00 175.52 177.91 3hw3 h ASN 33 N 0.74 0.60 -0.28 5.36 2.35 -1.89 -1.77 115.58 120.68 3hw3 h ASN 33 Ca 0.18 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.72 3hw3 h ASN 33 Cb 0.16 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3hw3 h ASN 33 CO -0.02 0.69 -0.10 0.50 -1.65 0.00 0.00 177.43 176.85 3hw3 h LYS 34 N 0.59 0.68 0.00 0.81 3.64 -1.80 -1.15 116.57 119.34 3hw3 h LYS 34 Ca 0.12 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3hw3 h LYS 34 Cb 0.42 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3hw3 h LYS 34 CO 0.02 0.77 -0.00 0.35 -2.27 0.00 0.00 179.45 178.32 3hw3 h PHE 35 N 0.63 -0.00 -0.81 1.91 -0.00 -0.86 -0.01 116.94 117.80 3hw3 h PHE 35 Ca 0.11 -0.00 0.10 0.00 -0.00 0.00 0.00 57.97 58.18 3hw3 h PHE 35 Cb 0.54 0.00 -0.07 0.00 -0.00 0.00 0.00 35.95 36.41 3hw3 h PHE 35 CO 0.02 0.17 0.45 0.00 -0.00 0.00 0.00 178.31 178.96 3hw3 h ALA 36 N 0.82 1.15 -0.48 2.41 0.00 -1.19 -1.94 119.26 120.03 3hw3 h ALA 36 Ca -0.00 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3hw3 h ALA 36 Cb 0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3hw3 h ALA 36 CO 0.00 0.06 0.04 0.00 0.00 0.00 0.00 179.25 179.34 3hw3 h ALA 37 N 1.46 1.17 -0.10 0.00 0.00 -0.70 -1.68 119.26 119.40 3hw3 h ALA 37 Ca 0.39 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 3hw3 h ALA 37 Cb 0.39 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.99 3hw3 h ALA 37 CO -0.26 0.55 -0.59 0.82 0.00 0.00 0.00 179.25 179.76 3hw3 h ILE 38 N 0.73 1.35 -0.57 0.00 2.04 -0.85 -0.52 117.51 119.68 3hw3 h ILE 38 Ca 0.15 -1.90 -0.00 0.00 1.00 0.00 0.00 64.86 64.11 3hw3 h ILE 38 Cb 0.39 2.19 -0.03 0.00 -0.74 0.00 0.00 36.82 38.63 3hw3 h ILE 38 CO 0.01 0.58 0.35 0.00 0.00 0.00 0.00 178.15 179.09 3hw3 h THR 40 N 0.79 1.38 -0.42 0.00 2.02 -1.14 -1.76 112.91 113.77 3hw3 h THR 40 Ca 0.21 -1.46 0.03 0.00 0.77 0.00 0.00 66.41 65.96 3hw3 h THR 40 Cb -0.04 2.07 -0.04 0.00 -1.74 0.00 0.00 68.15 68.41 3hw3 h THR 40 CO -0.04 0.42 0.21 -0.74 0.37 0.00 0.00 175.52 175.74 3hw3 h HIS 41 N -0.11 0.39 -0.01 3.16 6.17 -0.90 -1.31 115.15 122.55 3hw3 h HIS 41 Ca 0.01 0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.13 3hw3 h HIS 41 Cb 0.77 -0.11 -0.03 0.00 2.52 0.00 0.00 27.41 30.55 3hw3 h HIS 41 CO 0.10 0.20 -0.15 -0.07 0.71 0.00 0.00 177.93 178.73 3hw3 h LEU 42 N 0.43 -0.43 -0.42 0.26 4.07 -1.19 -1.23 115.31 116.79 3hw3 h LEU 42 Ca 0.18 0.06 0.08 0.00 0.08 0.00 0.00 57.88 58.29 3hw3 h LEU 42 Cb 0.09 0.18 -0.08 0.00 1.08 0.00 0.00 40.66 41.93 3hw3 h LEU 42 CO -0.13 -0.21 -0.09 -0.08 -1.08 0.00 0.00 178.44 176.86 3hw3 h GLU 43 N -0.24 0.01 -0.30 1.13 4.81 -0.98 -0.57 114.58 118.44 3hw3 h GLU 43 Ca 0.05 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 3hw3 h GLU 43 Cb 0.31 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.64 3hw3 h GLU 43 CO -0.15 0.01 0.02 0.28 -0.73 0.00 0.00 179.01 178.44 3hw3 h VAL 44 N 0.01 0.81 -0.52 0.32 2.07 -1.04 0.52 116.25 118.42 3hw3 h VAL 44 Ca 0.20 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.73 3hw3 h VAL 44 Cb 0.31 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 3hw3 h VAL 44 CO -0.42 0.02 0.26 0.00 0.02 0.00 0.00 177.57 177.45 3hw3 h PHE 46 N 0.51 1.02 -0.38 0.00 0.04 -0.85 -2.30 116.94 114.99 3hw3 h PHE 46 Ca 0.23 -0.11 -0.16 0.00 2.80 0.00 0.00 57.97 60.74 3hw3 h PHE 46 Cb 0.15 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 3hw3 h PHE 46 CO -0.10 0.84 -0.39 0.52 -0.60 0.00 0.00 178.31 178.57 3hw3 h MET 47 N 0.94 0.93 -0.69 1.51 2.86 0.04 -3.17 114.93 117.35 3hw3 h MET 47 Ca 0.20 -0.49 -0.04 0.00 -2.06 0.00 0.00 59.70 57.31 3hw3 h MET 47 Cb 0.33 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 3hw3 h MET 47 CO -0.00 1.15 0.28 -0.92 1.06 0.00 0.00 176.91 178.47 3hw3 h TYR 48 N 0.76 1.02 -3.56 -0.22 5.03 -0.45 -3.50 116.97 116.05 3hw3 h TYR 48 Ca 0.06 -0.06 -0.46 0.00 2.58 0.00 0.00 58.73 60.85 3hw3 h TYR 48 Cb 0.98 -0.31 0.10 0.00 1.55 0.00 0.00 36.73 39.05 3hw3 h TYR 48 CO 0.06 0.78 0.26 -1.54 -1.32 0.00 0.00 178.16 176.40 3hw3 s SER 49 N -6.45 4.33 0.00 -2.11 1.04 -0.88 -5.02 113.70 104.61 3hw3 s SER 49 Ca -0.11 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.60 3hw3 s SER 49 Cb 0.16 -0.73 0.00 0.00 0.10 0.00 0.00 66.02 65.55 3hw3 s SER 49 CO 0.81 -1.92 0.00 1.41 0.98 0.00 0.00 173.24 174.53 3hw3 n HIS 74 N -3.11 0.00 -0.24 5.02 -0.00 -1.26 -4.97 115.22 110.66 3hw3 n HIS 74 Ca 0.11 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.75 3hw3 n HIS 74 Cb 0.60 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.63 3hw3 n HIS 74 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 3hw3 h ARG 75 N 0.00 1.11 -5.14 -0.41 2.43 -1.99 -3.43 114.38 106.95 3hw3 h ARG 75 Ca 0.00 -0.29 -0.64 0.00 -0.81 0.00 0.00 59.98 58.24 3hw3 h ARG 75 Cb 0.00 -0.13 -0.23 0.00 -0.42 0.00 0.00 29.97 29.19 3hw3 h ARG 75 CO 0.00 1.01 -0.66 -0.06 -1.51 0.00 0.00 179.97 178.75 3hw3 s PHE 76 N -5.23 3.04 -0.22 2.20 0.40 -1.26 -1.24 117.98 115.68 3hw3 s PHE 76 Ca -0.12 -0.44 -0.24 0.00 -0.60 0.00 0.00 56.93 55.54 3hw3 s PHE 76 Cb 0.14 -2.08 -0.01 0.00 0.51 0.00 0.00 43.02 41.58 3hw3 s PHE 76 CO 0.85 -0.22 0.77 -2.00 0.70 0.00 0.00 175.22 175.32 3hw3 s GLU 77 N 0.94 4.20 -0.26 0.44 2.56 0.97 -4.92 118.70 122.63 3hw3 s GLU 77 Ca 0.01 0.85 -0.22 0.00 0.00 0.00 0.00 54.97 55.61 3hw3 s GLU 77 Cb -0.14 -3.62 -0.01 0.00 2.00 0.00 0.00 34.13 32.36 3hw3 s GLU 77 CO 0.02 -0.41 0.73 0.42 -0.56 0.00 0.00 175.26 175.45 3hw3 s ILE 78 N 2.48 4.90 -0.22 -3.70 1.01 -1.26 -0.85 121.20 123.56 3hw3 s ILE 78 Ca 0.33 1.28 -0.08 0.00 0.00 0.00 0.00 60.65 62.19 3hw3 s ILE 78 Cb -0.16 -4.04 -0.10 0.00 0.01 0.00 0.00 42.46 38.17 3hw3 s ILE 78 CO 0.09 -0.06 -0.26 -0.38 0.00 0.00 0.00 174.94 174.33 3hw3 n ILE 79 N 5.28 1.20 -1.61 2.92 2.08 -0.16 -4.83 119.36 124.25 3hw3 n ILE 79 Ca 0.02 -0.34 -0.45 0.00 0.56 0.00 0.00 62.75 62.54 3hw3 n ILE 79 Cb 0.48 -1.65 -0.02 0.00 -0.75 0.00 0.00 39.64 37.70 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 -3.76 1.47 -0.31 0.38 4.07 -0.69 -2.71 120.64 119.09 3hw3 n GLU 80 Ca -0.42 0.52 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 3hw3 n GLU 80 Cb 0.83 -1.94 0.00 0.00 -0.06 0.00 0.00 31.44 30.27 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 1.28 1.82 3.96 8.31 0.00 -1.26 -5.03 105.19 114.27 3hw3 n GLY 81 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.20 3.39 -0.16 1.61 1.70 -1.10 -5.02 118.95 119.17 3hw3 s ARG 82 Ca 0.00 -0.60 -0.42 0.00 -0.47 0.00 0.00 55.73 54.24 3hw3 s ARG 82 Cb 0.00 -2.77 -0.20 0.00 -0.57 0.00 0.00 34.95 31.41 3hw3 s ARG 82 CO 0.00 0.23 1.25 -0.25 -1.08 0.00 0.00 175.30 175.45 3hw3 n ASP 83 N -1.63 0.43 -0.28 -2.89 10.43 -1.26 -4.68 116.55 116.66 3hw3 n ASP 83 Ca -0.06 1.17 0.07 0.00 2.57 0.00 0.00 54.79 58.55 3hw3 n ASP 83 Cb 0.57 -0.91 0.22 0.00 1.84 0.00 0.00 41.12 42.84 3hw3 n ASP 83 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 3hw3 h ARG 84 N 3.71 0.49 -0.40 -1.24 2.47 -1.95 0.40 114.38 117.86 3hw3 h ARG 84 Ca -0.49 -0.03 -0.06 0.00 -1.26 0.00 0.00 59.98 58.15 3hw3 h ARG 84 Cb 1.41 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 29.60 3hw3 h ARG 84 CO 0.76 0.33 0.03 1.15 0.56 0.00 0.00 179.97 182.80 3hw3 h THR 85 N 0.51 1.25 -0.40 2.04 2.02 -2.00 -1.47 112.91 114.86 3hw3 h THR 85 Ca 0.46 -0.95 -0.09 0.00 0.77 0.00 0.00 66.41 66.61 3hw3 h THR 85 Cb 0.72 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 3hw3 h THR 85 CO -0.41 0.32 -0.08 -0.03 0.37 0.00 0.00 175.52 175.69 3hw3 h MET 86 N 0.52 0.77 -0.34 6.66 4.05 -1.52 -2.32 114.93 122.75 3hw3 h MET 86 Ca 0.12 -0.29 0.04 0.00 -0.28 0.00 0.00 59.70 59.29 3hw3 h MET 86 Cb 0.43 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.14 3hw3 h MET 86 CO 0.01 0.89 0.09 0.00 0.23 0.00 0.00 176.91 178.13 3hw3 h ALA 87 N 0.85 0.37 -0.31 0.39 0.00 -0.18 -1.58 119.26 118.81 3hw3 h ALA 87 Ca 0.10 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3hw3 h ALA 87 Cb 0.60 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3hw3 h ALA 87 CO 0.04 -0.32 -0.02 -1.49 0.00 0.00 0.00 179.25 177.46 3hw3 h TRP 88 N 0.21 0.49 -0.31 0.00 4.06 -1.12 -0.78 115.95 118.50 3hw3 h TRP 88 Ca 0.16 -0.05 -0.10 0.00 2.06 0.00 0.00 58.89 60.96 3hw3 h TRP 88 Cb 0.16 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 28.17 3hw3 h TRP 88 CO -0.17 0.50 -0.19 1.79 -3.56 0.00 0.00 178.44 176.81 3hw3 h THR 89 N 0.45 1.29 -0.21 1.49 1.35 -0.96 0.15 112.91 116.48 3hw3 h THR 89 Ca 0.10 -1.31 0.06 0.00 -0.55 0.00 0.00 66.41 64.70 3hw3 h THR 89 Cb 0.33 1.48 -0.06 0.00 -1.73 0.00 0.00 68.15 68.16 3hw3 h THR 89 CO 0.01 0.42 -0.19 0.58 -0.25 0.00 0.00 175.52 176.09 3hw3 h VAL 90 N 0.43 0.50 0.21 6.82 2.07 -1.08 -1.24 116.25 123.95 3hw3 h VAL 90 Ca 0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 3hw3 h VAL 90 Cb 0.73 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3hw3 h VAL 90 CO 0.05 0.00 -0.10 0.58 0.02 0.00 0.00 177.57 178.12 3hw3 h VAL 91 N -0.20 0.83 -0.79 2.57 2.07 -0.87 -2.56 116.25 117.29 3hw3 h VAL 91 Ca 0.12 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.56 3hw3 h VAL 91 Cb 0.39 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 3hw3 h VAL 91 CO -0.33 0.04 0.45 0.78 0.02 0.00 0.00 177.57 178.53 3hw3 h ASN 92 N -0.36 0.67 -0.29 0.57 -0.26 -0.70 -1.54 115.58 113.67 3hw3 h ASN 92 Ca -0.03 0.04 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 3hw3 h ASN 92 Cb 0.28 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.42 3hw3 h ASN 92 CO 0.05 0.41 0.01 0.77 -1.06 0.00 0.00 177.43 177.61 3hw3 h SER 93 N 0.80 0.57 0.27 5.81 4.64 -1.11 -2.07 113.55 122.46 3hw3 h SER 93 Ca 0.36 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.56 3hw3 h SER 93 Cb 0.27 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3hw3 h SER 93 CO -0.21 0.63 -0.13 0.40 -0.87 0.00 0.00 176.83 176.65 3hw3 h ILE 94 N 0.58 0.76 -0.24 0.95 2.04 -1.18 -2.94 117.51 117.47 3hw3 h ILE 94 Ca 0.12 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 3hw3 h ILE 94 Cb 0.35 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3hw3 h ILE 94 CO 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 178.15 178.19 3hw3 h ASN 96 N 0.34 0.27 0.03 0.00 4.21 -1.46 0.21 115.58 119.19 3hw3 h ASN 96 Ca 0.08 -0.15 -0.00 0.00 1.21 0.00 0.00 56.30 57.44 3hw3 h ASN 96 Cb 0.26 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 3hw3 h ASN 96 CO 0.01 0.80 -0.01 0.74 -1.29 0.00 0.00 177.43 177.67 3hw3 h THR 97 N 0.17 1.27 0.00 2.81 2.02 -1.25 -3.39 112.91 114.54 3hw3 h THR 97 Ca -0.01 -1.77 -0.17 0.00 0.77 0.00 0.00 66.41 65.23 3hw3 h THR 97 Cb 1.10 2.32 -0.03 0.00 -1.74 0.00 0.00 68.15 69.81 3hw3 h THR 97 CO 0.09 0.40 -1.04 0.71 0.37 0.00 0.00 175.52 176.05 3hw3 h THR 98 N -0.92 0.93 0.00 3.16 1.35 -0.90 -3.48 112.91 113.04 3hw3 h THR 98 Ca -0.00 -2.47 0.00 0.00 -0.55 0.00 0.00 66.41 63.39 3hw3 h THR 98 Cb 0.69 2.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 3hw3 h THR 98 CO 0.01 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 3hw3 n GLY 99 N 1.35 0.71 3.54 5.82 0.00 0.06 -5.06 105.19 111.60 3hw3 n GLY 99 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3hw3 n GLY 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hw3 n VAL 100 N -2.00 2.34 -1.86 1.61 0.31 -1.24 -4.95 118.33 112.54 3hw3 n VAL 100 Ca 0.00 -0.50 -0.40 0.00 -0.01 0.00 0.00 64.34 63.43 3hw3 n VAL 100 Cb 0.00 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.06 3hw3 n VAL 100 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3hw3 s GLU 101 N -1.97 3.97 0.15 5.55 2.12 -1.26 -4.77 118.70 122.49 3hw3 s GLU 101 Ca 0.66 2.44 -0.31 0.00 0.36 0.00 0.00 54.97 58.11 3hw3 s GLU 101 Cb -0.54 -2.85 -0.10 0.00 0.26 0.00 0.00 34.13 30.91 3hw3 s GLU 101 CO 0.56 -0.59 1.54 0.21 -0.54 0.00 0.00 175.26 176.43 3hw3 s LYS 102 N -2.20 4.23 0.64 4.30 2.20 -1.26 -4.97 119.74 122.67 3hw3 s LYS 102 Ca 0.56 2.31 -0.17 0.00 -0.36 0.00 0.00 55.97 58.30 3hw3 s LYS 102 Cb -0.44 -3.21 -0.05 0.00 -1.51 0.00 0.00 37.83 32.62 3hw3 s LYS 102 CO 0.58 -0.59 0.75 -0.35 -0.36 0.00 0.00 175.35 175.39 3hw3 n PRO 103 N 4.11 0.60 0.09 4.03 -0.04 -1.26 -4.91 135.00 137.62 3hw3 n PRO 103 Ca 0.14 0.24 -0.06 0.00 -0.04 0.00 0.00 63.50 63.78 3hw3 n PRO 103 Cb 0.39 -1.98 0.06 0.00 -0.04 0.00 0.00 33.50 31.93 3hw3 n PRO 103 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3hw3 h LYS 104 N 0.11 0.16 -5.58 0.54 1.57 -1.92 -3.45 116.57 107.99 3hw3 h LYS 104 Ca -0.47 -0.14 -0.45 0.00 -1.87 0.00 0.00 60.65 57.72 3hw3 h LYS 104 Cb 1.37 0.03 -0.18 0.00 0.08 0.00 0.00 32.23 33.53 3hw3 h LYS 104 CO 0.47 0.83 -0.77 -0.06 -0.57 0.00 0.00 179.45 179.35 3hw3 s PHE 105 N -3.43 1.51 0.12 -1.35 0.08 -1.26 -5.10 117.98 108.55 3hw3 s PHE 105 Ca -0.03 -0.52 -0.31 0.00 0.12 0.00 0.00 56.93 56.19 3hw3 s PHE 105 Cb 0.11 -0.79 -0.10 0.00 -0.57 0.00 0.00 43.02 41.68 3hw3 s PHE 105 CO 0.80 0.19 1.78 -0.51 -0.10 0.00 0.00 175.22 177.38 3hw3 s LEU 106 N -2.45 4.39 0.00 -0.37 1.43 -1.26 -4.99 118.68 115.42 3hw3 s LEU 106 Ca 0.10 2.70 -0.03 0.00 -1.03 0.00 0.00 54.13 55.88 3hw3 s LEU 106 Cb -0.05 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.64 3hw3 s LEU 106 CO 0.04 -0.97 0.25 -0.81 0.23 0.00 0.00 176.35 175.09 3hw3 n PRO 107 N 5.54 -0.14 -0.06 1.29 -0.04 -1.26 -5.00 135.00 135.32 3hw3 n PRO 107 Ca 0.17 -0.42 -0.19 0.00 -0.04 0.00 0.00 63.50 63.02 3hw3 n PRO 107 Cb 0.38 -0.25 -0.13 0.00 -0.04 0.00 0.00 33.50 33.47 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 -3.14 1.97 -4.12 3.54 8.00 0.47 -3.88 116.55 119.39 3hw3 n ASP 108 Ca 0.03 0.04 -0.09 0.00 0.71 0.00 0.00 54.79 55.49 3hw3 n ASP 108 Cb 0.11 -0.58 -0.10 0.00 -0.02 0.00 0.00 41.12 40.53 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 -6.73 2.48 -0.10 0.64 1.43 -0.59 -0.98 118.68 114.83 3hw3 s LEU 109 Ca -0.28 -0.97 0.02 0.00 -1.03 0.00 0.00 54.13 51.87 3hw3 s LEU 109 Cb 0.08 0.08 -0.02 0.00 0.03 0.00 0.00 46.19 46.36 3hw3 s LEU 109 CO 0.69 -0.52 -0.16 -0.47 0.23 0.00 0.00 176.35 176.12 3hw3 s TYR 110 N -3.64 2.72 -0.46 0.29 5.04 -0.03 -0.80 117.35 120.47 3hw3 s TYR 110 Ca 0.08 -0.57 -0.12 0.00 -2.44 0.00 0.00 57.07 54.02 3hw3 s TYR 110 Cb 0.06 -1.75 0.09 0.00 0.35 0.00 0.00 41.96 40.71 3hw3 s TYR 110 CO -0.07 -0.13 0.35 0.34 -1.34 0.00 0.00 175.55 174.69 3hw3 s ASP 111 N 0.03 5.87 0.22 4.32 3.68 -0.09 -0.02 116.67 130.68 3hw3 s ASP 111 Ca -0.05 -1.58 0.23 0.00 2.13 0.00 0.00 52.55 53.28 3hw3 s ASP 111 Cb -0.15 -2.08 0.93 0.00 -1.45 0.00 0.00 42.92 40.18 3hw3 s ASP 111 CO 0.05 -0.64 1.70 -1.22 0.13 0.00 0.00 175.17 175.18 3hw3 n TYR 112 N 5.04 0.73 -0.08 -5.34 4.01 -0.37 -0.14 117.16 121.01 3hw3 n TYR 112 Ca -0.11 0.28 -0.13 0.00 -0.16 0.00 0.00 57.90 57.78 3hw3 n TYR 112 Cb 0.42 -0.95 -0.08 0.00 -0.31 0.00 0.00 39.34 38.42 3hw3 n TYR 112 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3hw3 h LYS 113 N 0.00 0.00 -0.01 -0.72 3.11 -1.93 -3.37 116.57 113.66 3hw3 h LYS 113 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3hw3 h LYS 113 Cb 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.62 3hw3 h LYS 113 CO 0.00 0.67 -0.04 0.39 -2.81 0.00 0.00 179.45 177.66 3hw3 n GLU 114 N -4.58 1.04 -3.85 1.90 -0.58 -1.21 -4.96 120.64 108.40 3hw3 n GLU 114 Ca -0.16 -0.32 -0.38 0.00 -0.42 0.00 0.00 57.16 55.88 3hw3 n GLU 114 Cb 0.44 -1.49 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 -0.70 -4.72 -3.43 1.62 4.13 0.80 -5.00 115.26 107.97 3hw3 n ASN 115 Ca 0.19 -1.13 -0.12 0.00 1.68 0.00 0.00 54.58 55.20 3hw3 n ASN 115 Cb 0.23 -2.69 -0.02 0.00 -1.54 0.00 0.00 39.78 35.76 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 -6.58 1.26 0.53 3.52 1.70 -0.97 -5.01 118.95 113.41 3hw3 s ARG 116 Ca 0.47 -0.43 -0.17 0.00 -0.47 0.00 0.00 55.73 55.13 3hw3 s ARG 116 Cb -0.21 0.58 -0.07 0.00 -0.57 0.00 0.00 34.95 34.69 3hw3 s ARG 116 CO 0.91 -0.54 1.02 -0.06 -1.08 0.00 0.00 175.30 175.54 3hw3 s PHE 117 N -3.60 3.18 -0.06 5.89 0.40 -1.26 -0.91 117.98 121.62 3hw3 s PHE 117 Ca 0.00 1.51 0.02 0.00 -0.60 0.00 0.00 56.93 57.86 3hw3 s PHE 117 Cb -0.01 -2.93 0.02 0.00 0.51 0.00 0.00 43.02 40.61 3hw3 s PHE 117 CO -0.12 -0.72 -0.08 0.42 0.70 0.00 0.00 175.22 175.42 3hw3 s ILE 118 N -2.41 0.86 -0.27 0.64 1.01 0.02 -0.59 121.20 120.46 3hw3 s ILE 118 Ca 0.62 -0.31 -0.10 0.00 0.00 0.00 0.00 60.65 60.87 3hw3 s ILE 118 Cb -0.13 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 3hw3 s ILE 118 CO 0.30 0.30 0.15 -1.61 0.00 0.00 0.00 174.94 174.07 3hw3 s GLU 119 N 0.82 3.86 -0.13 2.79 0.41 0.19 -0.40 118.70 126.24 3hw3 s GLU 119 Ca -0.12 -0.37 -0.10 0.00 -0.41 0.00 0.00 54.97 53.97 3hw3 s GLU 119 Cb -0.15 -3.53 -0.05 0.00 -1.78 0.00 0.00 34.13 28.62 3hw3 s GLU 119 CO 0.02 -0.17 0.20 0.42 -0.49 0.00 0.00 175.26 175.24 3hw3 s ILE 120 N 1.66 5.38 0.09 -1.63 -1.09 -1.26 -1.39 121.20 122.96 3hw3 s ILE 120 Ca 0.07 0.36 0.06 0.00 -2.23 0.00 0.00 60.65 58.91 3hw3 s ILE 120 Cb -0.16 -3.50 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 3hw3 s ILE 120 CO 0.08 0.53 -0.16 -0.83 -1.23 0.00 0.00 174.94 173.33 3hw3 s GLY 121 N -0.47 1.02 -0.10 6.18 0.00 -0.83 -4.99 107.32 108.15 3hw3 s GLY 121 Ca 0.15 -1.14 0.01 0.00 0.00 0.00 0.00 44.72 43.75 3hw3 s GLY 121 CO 0.04 -1.16 -0.12 0.14 0.00 0.00 0.00 173.10 172.00 3hw3 s VAL 122 N -1.42 1.26 0.03 1.40 1.01 -1.26 -0.97 120.40 120.45 3hw3 s VAL 122 Ca 0.03 -0.49 0.09 0.00 0.00 0.00 0.00 61.98 61.60 3hw3 s VAL 122 Cb -0.09 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 3hw3 s VAL 122 CO 0.03 0.39 -0.25 0.28 0.00 0.00 0.00 175.10 175.56 3hw3 s THR 123 N 1.12 2.26 -0.50 3.92 -1.32 -0.27 -4.99 115.64 115.87 3hw3 s THR 123 Ca -0.05 -1.29 0.24 0.00 -1.21 0.00 0.00 61.69 59.38 3hw3 s THR 123 Cb -0.14 -1.88 0.08 0.00 -1.51 0.00 0.00 72.50 69.05 3hw3 s THR 123 CO -0.02 0.41 1.29 0.03 -2.21 0.00 0.00 174.62 174.11 3hw3 h ARG 124 N 4.89 0.00 0.00 7.08 3.08 -1.92 -2.99 114.38 124.52 3hw3 h ARG 124 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3hw3 h ARG 124 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3hw3 h ARG 124 CO 0.45 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.89 3hw3 n ARG 125 N -2.40 3.79 -2.98 0.04 1.74 -1.26 -4.91 116.66 110.68 3hw3 n ARG 125 Ca 0.02 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.70 3hw3 n ARG 125 Cb 0.48 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.88 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 3.57 4.48 0.35 5.56 2.02 -1.26 -4.92 118.70 128.50 3hw3 s GLU 126 Ca 0.00 1.03 0.04 0.00 0.02 0.00 0.00 54.97 56.06 3hw3 s GLU 126 Cb 0.00 -3.41 0.67 0.00 0.10 0.00 0.00 34.13 31.49 3hw3 s GLU 126 CO 0.00 0.16 1.97 -0.39 0.02 0.00 0.00 175.26 177.01 3hw3 h VAL 127 N 4.46 1.08 -0.55 2.63 -1.51 -1.94 -2.02 116.25 118.40 3hw3 h VAL 127 Ca -0.42 -0.29 0.01 0.00 -1.23 0.00 0.00 66.70 64.76 3hw3 h VAL 127 Cb 1.20 0.17 -0.03 0.00 -2.13 0.00 0.00 31.29 30.50 3hw3 h VAL 127 CO 0.73 0.15 0.37 -0.74 -1.23 0.00 0.00 177.57 176.85 3hw3 h HIS 128 N 0.84 0.69 -0.08 5.19 6.17 -1.94 -0.54 115.15 125.47 3hw3 h HIS 128 Ca 0.30 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.39 3hw3 h HIS 128 Cb 0.13 -0.23 -0.00 0.00 2.52 0.00 0.00 27.41 29.82 3hw3 h HIS 128 CO -0.00 0.44 0.04 1.15 0.71 0.00 0.00 177.93 180.27 3hw3 h THR 129 N 0.75 1.11 -0.39 6.26 2.02 -1.79 -2.68 112.91 118.18 3hw3 h THR 129 Ca 0.20 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 3hw3 h THR 129 Cb -0.09 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3hw3 h THR 129 CO -0.04 0.10 0.19 0.22 0.37 0.00 0.00 175.52 176.36 3hw3 h TYR 130 N 0.01 0.56 -0.62 3.16 3.20 -1.24 -1.15 116.97 120.88 3hw3 h TYR 130 Ca 0.03 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.99 3hw3 h TYR 130 Cb 0.12 -0.17 -0.12 0.00 1.54 0.00 0.00 36.73 38.10 3hw3 h TYR 130 CO -0.03 0.46 -0.32 -0.92 -1.64 0.00 0.00 178.16 175.70 3hw3 h TYR 131 N 0.49 -0.88 -0.77 -3.82 3.20 -1.05 0.81 116.97 114.95 3hw3 h TYR 131 Ca 0.14 0.07 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 3hw3 h TYR 131 Cb 0.10 0.48 -0.04 0.00 1.54 0.00 0.00 36.73 38.82 3hw3 h TYR 131 CO -0.02 -0.38 0.37 -0.07 -1.64 0.00 0.00 178.16 176.43 3hw3 h LEU 132 N -0.14 1.01 -0.44 2.82 3.38 -1.08 0.70 115.31 121.57 3hw3 h LEU 132 Ca 0.25 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.13 3hw3 h LEU 132 Cb 0.55 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3hw3 h LEU 132 CO -0.70 0.86 0.19 -0.33 0.09 0.00 0.00 178.44 178.56 3hw3 h GLU 133 N 1.09 0.38 -0.35 1.13 5.08 -0.21 0.15 114.58 121.86 3hw3 h GLU 133 Ca 0.27 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 3hw3 h GLU 133 Cb 0.12 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3hw3 h GLU 133 CO -0.03 0.25 0.13 -0.22 -1.00 0.00 0.00 179.01 178.14 3hw3 h LYS 134 N 0.39 0.54 -0.54 2.33 1.63 -0.53 -2.67 116.57 117.71 3hw3 h LYS 134 Ca 0.20 -0.11 0.03 0.00 -0.85 0.00 0.00 60.65 59.92 3hw3 h LYS 134 Cb 0.14 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.65 3hw3 h LYS 134 CO -0.16 0.54 0.31 0.00 -3.45 0.00 0.00 179.45 176.69 3hw3 h ALA 135 N 0.97 0.69 0.00 5.00 0.00 -0.63 -2.23 119.26 123.06 3hw3 h ALA 135 Ca 0.12 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3hw3 h ALA 135 Cb 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3hw3 h ALA 135 CO -0.01 0.00 -0.30 -0.97 0.00 0.00 0.00 179.25 177.97 3hw3 h ASN 136 N 0.61 0.00 0.06 0.00 -1.24 -0.86 -1.93 115.58 112.22 3hw3 h ASN 136 Ca 0.22 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.23 3hw3 h ASN 136 Cb 0.06 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.12 3hw3 h ASN 136 CO -0.12 0.30 -0.03 0.50 -1.29 0.00 0.00 177.43 176.79 3hw3 h LYS 137 N 0.00 -0.08 0.00 6.67 3.64 -1.19 -3.38 116.57 122.23 3hw3 h LYS 137 Ca -0.00 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 3hw3 h LYS 137 Cb 0.56 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3hw3 h LYS 137 CO 0.04 0.49 -0.47 -0.84 -2.27 0.00 0.00 179.45 176.40 3hw3 h ILE 138 N -0.77 0.84 -6.64 2.00 3.07 -1.37 -3.49 117.51 111.16 3hw3 h ILE 138 Ca -0.01 -2.07 -0.45 0.00 1.55 0.00 0.00 64.86 63.88 3hw3 h ILE 138 Cb 0.61 2.33 0.00 0.00 -0.27 0.00 0.00 36.82 39.49 3hw3 h ILE 138 CO 0.01 0.46 -1.01 0.29 -1.05 0.00 0.00 178.15 176.86 3hw3 n LYS 139 N -3.27 -1.52 -3.76 0.16 5.02 -0.73 -4.51 118.16 109.55 3hw3 n LYS 139 Ca 0.02 0.82 -0.13 0.00 -2.02 0.00 0.00 58.31 57.00 3hw3 n LYS 139 Cb 0.69 -2.57 -0.12 0.00 -0.02 0.00 0.00 35.03 33.01 3hw3 n LYS 139 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3hw3 s SER 140 N -2.99 -0.30 0.00 4.39 0.15 -1.26 -4.94 113.70 108.74 3hw3 s SER 140 Ca 0.00 0.58 0.24 0.00 0.70 0.00 0.00 55.95 57.47 3hw3 s SER 140 Cb -0.00 0.56 0.18 0.00 -1.71 0.00 0.00 66.02 65.04 3hw3 s SER 140 CO 0.88 -0.12 1.21 -0.62 1.20 0.00 0.00 173.24 175.80 3hw3 n GLU 141 N 3.28 1.30 -0.09 5.44 4.71 -1.26 -4.37 120.64 129.64 3hw3 n GLU 141 Ca -0.16 -1.03 -0.10 0.00 -0.01 0.00 0.00 57.16 55.86 3hw3 n GLU 141 Cb 0.57 -1.48 -0.11 0.00 -1.01 0.00 0.00 31.44 29.41 3hw3 n GLU 141 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3hw3 n LYS 142 N 0.04 1.08 -2.15 3.49 5.02 -1.26 -4.96 118.16 119.42 3hw3 n LYS 142 Ca 0.11 0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 56.01 3hw3 n LYS 142 Cb 0.46 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 3hw3 n LYS 142 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3hw3 s THR 143 N -2.39 3.51 0.17 -0.18 2.01 -1.26 -4.66 115.64 112.83 3hw3 s THR 143 Ca -0.15 0.93 -0.29 0.00 0.31 0.00 0.00 61.69 62.50 3hw3 s THR 143 Cb 0.06 -3.60 -0.08 0.00 0.01 0.00 0.00 72.50 68.89 3hw3 s THR 143 CO 0.59 0.01 0.90 -2.28 -0.69 0.00 0.00 174.62 173.14 3hw3 s HIS 144 N 2.31 3.90 -0.09 4.92 2.46 0.24 -4.92 115.29 124.12 3hw3 s HIS 144 Ca 0.66 1.79 0.03 0.00 0.47 0.00 0.00 55.06 58.00 3hw3 s HIS 144 Cb -0.34 -2.94 -0.02 0.00 -0.13 0.00 0.00 32.58 29.15 3hw3 s HIS 144 CO 0.28 0.38 -0.17 0.42 -2.47 0.00 0.00 174.74 173.19 3hw3 s ILE 145 N -0.73 2.77 -0.09 0.89 1.01 -1.26 -0.64 121.20 123.15 3hw3 s ILE 145 Ca 0.41 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 60.26 3hw3 s ILE 145 Cb -0.24 -2.11 0.03 0.00 0.01 0.00 0.00 42.46 40.16 3hw3 s ILE 145 CO 0.29 0.56 -0.00 -2.28 0.00 0.00 0.00 174.94 173.51 3hw3 s HIS 146 N -0.09 0.82 -0.13 3.97 2.46 -0.49 -0.88 115.29 120.95 3hw3 s HIS 146 Ca -0.03 -0.34 -0.02 0.00 0.47 0.00 0.00 55.06 55.14 3hw3 s HIS 146 Cb -0.14 -0.89 -0.03 0.00 -0.13 0.00 0.00 32.58 31.40 3hw3 s HIS 146 CO 0.04 -0.39 -0.06 0.42 -2.47 0.00 0.00 174.74 172.28 3hw3 s ILE 147 N 1.93 3.73 0.18 0.89 -1.09 0.43 -1.96 121.20 125.32 3hw3 s ILE 147 Ca 0.04 -0.43 0.08 0.00 -2.23 0.00 0.00 60.65 58.11 3hw3 s ILE 147 Cb -0.13 -2.59 -0.04 0.00 -1.58 0.00 0.00 42.46 38.11 3hw3 s ILE 147 CO -0.06 0.53 -0.07 -0.36 -1.23 0.00 0.00 174.94 173.75 3hw3 s PHE 148 N 0.01 2.69 0.46 3.97 0.40 -0.14 -1.12 117.98 124.25 3hw3 s PHE 148 Ca -0.00 -0.20 0.05 0.00 -0.60 0.00 0.00 56.93 56.18 3hw3 s PHE 148 Cb -0.13 -1.31 -0.03 0.00 0.51 0.00 0.00 43.02 42.06 3hw3 s PHE 148 CO 0.03 0.52 0.13 -1.54 0.70 0.00 0.00 175.22 175.06 3hw3 s SER 149 N -2.89 4.27 0.00 1.36 1.04 -0.55 -1.11 113.70 115.82 3hw3 s SER 149 Ca 0.26 -1.34 0.20 0.00 0.48 0.00 0.00 55.95 55.55 3hw3 s SER 149 Cb -0.09 -0.01 0.96 0.00 0.10 0.00 0.00 66.02 66.98 3hw3 s SER 149 CO 0.16 -0.71 1.65 0.49 0.98 0.00 0.00 173.24 175.81 3hw3 n PHE 150 N -1.28 0.09 0.18 5.02 3.01 -1.13 -3.78 117.46 119.57 3hw3 n PHE 150 Ca -0.07 -0.05 0.04 0.00 1.01 0.00 0.00 57.45 58.38 3hw3 n PHE 150 Cb 0.66 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 40.18 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 -0.26 0.27 -0.08 4.37 -2.24 -1.26 -4.24 114.28 110.84 3hw3 n THR 151 Ca 0.15 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3hw3 n THR 151 Cb 0.19 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 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 0.33 0.50 3.79 3.38 0.00 -1.25 -5.07 105.19 106.88 3hw3 n GLY 152 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3hw3 n GLY 152 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hw3 s GLU 153 N -0.86 4.04 0.09 1.61 2.12 -1.26 -4.89 118.70 119.55 3hw3 s GLU 153 Ca 0.00 1.38 -0.07 0.00 0.36 0.00 0.00 54.97 56.64 3hw3 s GLU 153 Cb 0.00 -2.31 -0.01 0.00 0.26 0.00 0.00 34.13 32.07 3hw3 s GLU 153 CO 0.00 -0.23 0.16 -1.83 -0.54 0.00 0.00 175.26 172.82 3hw3 s GLU 154 N -2.88 0.83 -0.10 4.30 -1.05 -1.26 -1.49 118.70 117.05 3hw3 s GLU 154 Ca 0.62 -1.02 -0.07 0.00 -0.15 0.00 0.00 54.97 54.35 3hw3 s GLU 154 Cb -0.18 0.32 0.04 0.00 -0.44 0.00 0.00 34.13 33.87 3hw3 s GLU 154 CO 0.22 -0.25 0.24 1.41 0.95 0.00 0.00 175.26 177.83 3hw3 s MET 155 N -3.88 0.23 0.02 -4.83 1.75 -0.28 -4.99 119.30 107.33 3hw3 s MET 155 Ca 0.06 0.43 -0.00 0.00 -1.25 0.00 0.00 55.69 54.93 3hw3 s MET 155 Cb 0.05 -0.00 -0.02 0.00 2.84 0.00 0.00 34.83 37.70 3hw3 s MET 155 CO -0.10 -0.10 -0.03 0.00 -0.65 0.00 0.00 175.02 174.14 3hw3 s ALA 156 N 0.73 0.18 -0.06 4.11 0.00 -1.26 -0.42 121.76 125.04 3hw3 s ALA 156 Ca -0.05 -0.67 -0.39 0.00 0.00 0.00 0.00 51.96 50.85 3hw3 s ALA 156 Cb -0.06 0.16 -0.17 0.00 0.00 0.00 0.00 23.12 23.05 3hw3 s ALA 156 CO -0.04 -0.18 1.44 2.41 0.00 0.00 0.00 175.76 179.38 3hw3 n THR 157 N 1.42 0.09 -1.98 0.00 -1.04 -0.06 -1.26 114.28 111.44 3hw3 n THR 157 Ca -0.23 -0.02 -0.20 0.00 -2.04 0.00 0.00 64.05 61.56 3hw3 n THR 157 Cb 0.56 -0.82 -0.05 0.00 -1.82 0.00 0.00 70.33 68.20 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 3.29 -1.58 -3.05 -2.82 5.02 -1.26 -1.54 118.16 116.21 3hw3 n LYS 158 Ca 0.22 1.09 -0.21 0.00 -2.02 0.00 0.00 58.31 57.39 3hw3 n LYS 158 Cb 0.15 -5.61 0.01 0.00 -0.02 0.00 0.00 35.03 29.56 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 -0.32 -0.97 -3.34 7.82 0.00 -0.39 -4.95 120.51 118.36 3hw3 n ALA 159 Ca -0.22 0.14 -0.37 0.00 0.00 0.00 0.00 53.44 52.99 3hw3 n ALA 159 Cb 0.67 -2.79 -0.13 0.00 0.00 0.00 0.00 19.45 17.21 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 -2.55 5.19 0.00 0.00 -1.08 -0.59 -5.00 116.67 112.64 3hw3 s ASP 160 Ca 0.28 -1.16 0.24 0.00 -0.52 0.00 0.00 52.55 51.39 3hw3 s ASP 160 Cb -0.14 -1.83 0.33 0.00 -1.46 0.00 0.00 42.92 39.82 3hw3 s ASP 160 CO 0.34 -0.30 1.34 -1.22 0.52 0.00 0.00 175.17 175.85 3hw3 n TYR 161 N 4.76 0.05 0.00 -5.34 4.02 -1.26 -4.45 117.16 114.93 3hw3 n TYR 161 Ca -0.13 -0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 3hw3 n TYR 161 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.76 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 1.20 0.00 -3.96 -0.72 -1.04 -1.26 -4.79 114.28 103.71 3hw3 n THR 162 Ca 0.15 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.92 3hw3 n THR 162 Cb 0.57 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.05 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 4.32 0.82 -4.42 1.43 -1.26 -5.09 118.68 114.47 3hw3 s LEU 163 Ca 0.00 0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 53.12 3hw3 s LEU 163 Cb 0.00 -2.88 0.08 0.00 0.03 0.00 0.00 46.19 43.43 3hw3 s LEU 163 CO 0.00 0.01 1.10 1.51 0.23 0.00 0.00 176.35 179.20 3hw3 s ASP 164 N -3.50 4.05 0.44 2.29 3.84 -1.26 -4.85 116.67 117.68 3hw3 s ASP 164 Ca 0.34 1.89 0.13 0.00 -0.00 0.00 0.00 52.55 54.91 3hw3 s ASP 164 Cb -0.10 -2.51 1.04 0.00 -1.38 0.00 0.00 42.92 39.96 3hw3 s ASP 164 CO 0.29 -2.33 2.02 -0.33 -0.00 0.00 0.00 175.17 174.81 3hw3 h GLU 165 N -1.34 0.36 -0.28 2.11 4.39 -1.98 -2.22 114.58 115.62 3hw3 h GLU 165 Ca -0.44 -0.02 -0.19 0.00 0.34 0.00 0.00 59.36 59.05 3hw3 h GLU 165 Cb 1.24 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 3hw3 h GLU 165 CO 0.49 0.24 -0.57 0.93 -1.16 0.00 0.00 179.01 178.94 3hw3 h GLU 166 N 0.37 0.88 -0.42 2.33 4.39 -1.99 -0.46 114.58 119.69 3hw3 h GLU 166 Ca 0.21 -0.57 -0.02 0.00 0.34 0.00 0.00 59.36 59.32 3hw3 h GLU 166 Cb 0.34 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 3hw3 h GLU 166 CO -0.05 1.20 0.19 0.77 -1.16 0.00 0.00 179.01 179.96 3hw3 h SER 167 N 0.67 0.56 -0.51 1.42 0.02 -1.83 -2.52 113.55 111.35 3hw3 h SER 167 Ca 0.01 -0.15 -0.10 0.00 -0.84 0.00 0.00 61.79 60.71 3hw3 h SER 167 Cb 1.18 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 3hw3 h SER 167 CO 0.13 0.55 -0.07 0.03 -1.14 0.00 0.00 176.83 176.33 3hw3 h ARG 168 N 0.53 0.98 -0.34 3.45 3.08 -1.38 -2.69 114.38 118.00 3hw3 h ARG 168 Ca 0.14 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 3hw3 h ARG 168 Cb 0.15 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3hw3 h ARG 168 CO -0.02 1.00 0.18 0.00 -1.07 0.00 0.00 179.97 180.07 3hw3 h ALA 169 N 1.03 1.69 -0.58 0.04 0.00 -0.95 0.15 119.26 120.64 3hw3 h ALA 169 Ca 0.15 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3hw3 h ALA 169 Cb 0.61 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3hw3 h ALA 169 CO 0.04 0.27 0.03 0.00 0.00 0.00 0.00 179.25 179.58 3hw3 h ARG 170 N 0.47 0.98 -0.00 0.00 3.08 -1.12 0.54 114.38 118.33 3hw3 h ARG 170 Ca 0.12 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 3hw3 h ARG 170 Cb 0.02 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 3hw3 h ARG 170 CO -0.02 0.95 -0.00 0.82 -1.07 0.00 0.00 179.97 180.65 3hw3 h ILE 171 N 0.91 1.32 -0.36 2.04 2.04 -1.17 -2.05 117.51 120.23 3hw3 h ILE 171 Ca 0.17 -0.94 0.03 0.00 1.00 0.00 0.00 64.86 65.13 3hw3 h ILE 171 Cb 0.49 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 3hw3 h ILE 171 CO 0.02 0.24 0.24 0.11 0.00 0.00 0.00 178.15 178.77 3hw3 h LYS 172 N -0.39 0.35 -0.02 2.37 1.57 -0.65 -1.29 116.57 118.51 3hw3 h LYS 172 Ca 0.00 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.59 3hw3 h LYS 172 Cb 0.40 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3hw3 h LYS 172 CO 0.00 0.23 -0.75 1.15 -0.57 0.00 0.00 179.45 179.51 3hw3 h THR 173 N 0.36 1.46 -0.38 -0.16 2.02 -0.81 -1.50 112.91 113.90 3hw3 h THR 173 Ca 0.15 -2.35 -0.11 0.00 0.77 0.00 0.00 66.41 64.87 3hw3 h THR 173 Cb 0.15 2.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 3hw3 h THR 173 CO -0.03 0.69 -0.19 -0.09 0.37 0.00 0.00 175.52 176.26 3hw3 h ARG 174 N 0.12 0.80 -0.56 6.66 9.65 -0.60 -2.36 114.38 128.09 3hw3 h ARG 174 Ca -0.02 -0.35 -0.10 0.00 -1.10 0.00 0.00 59.98 58.40 3hw3 h ARG 174 Cb 1.32 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.86 3hw3 h ARG 174 CO 0.11 0.98 -0.04 -0.07 2.80 0.00 0.00 179.97 183.75 3hw3 h LEU 175 N 0.60 0.99 -0.26 3.80 3.38 -1.15 -1.17 115.31 121.50 3hw3 h LEU 175 Ca 0.08 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.80 3hw3 h LEU 175 Cb 0.74 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 3hw3 h LEU 175 CO 0.06 1.07 0.02 0.15 0.09 0.00 0.00 178.44 179.83 3hw3 h PHE 176 N 0.91 0.03 -0.80 1.13 3.04 -1.28 -0.83 116.94 119.14 3hw3 h PHE 176 Ca 0.16 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.13 3hw3 h PHE 176 Cb 0.59 0.02 -0.04 0.00 2.56 0.00 0.00 35.95 39.09 3hw3 h PHE 176 CO 0.04 -0.01 0.52 1.15 -2.02 0.00 0.00 178.31 177.99 3hw3 h THR 177 N 0.11 1.21 -0.05 4.41 2.02 -1.08 -0.07 112.91 119.46 3hw3 h THR 177 Ca 0.12 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 3hw3 h THR 177 Cb 0.14 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.60 3hw3 h THR 177 CO -0.19 0.21 0.02 0.40 0.37 0.00 0.00 175.52 176.33 3hw3 h ILE 178 N 1.09 1.15 -0.27 3.11 2.04 -1.02 -1.31 117.51 122.31 3hw3 h ILE 178 Ca 0.29 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.75 3hw3 h ILE 178 Cb -0.10 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3hw3 h ILE 178 CO -0.06 0.12 0.06 -0.09 0.00 0.00 0.00 178.15 178.18 3hw3 h ARG 179 N -0.09 0.15 -0.75 2.37 1.12 -0.98 -0.88 114.38 115.31 3hw3 h ARG 179 Ca 0.02 -0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 58.85 3hw3 h ARG 179 Cb 0.18 -0.03 -0.03 0.00 -0.01 0.00 0.00 29.97 30.07 3hw3 h ARG 179 CO -0.00 0.10 0.35 1.96 -3.11 0.00 0.00 179.97 179.27 3hw3 h GLN 180 N 0.16 1.09 -0.22 0.20 4.20 -0.98 0.10 115.11 119.66 3hw3 h GLN 180 Ca 0.12 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3hw3 h GLN 180 Cb 0.13 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3hw3 h GLN 180 CO -0.16 0.86 0.14 0.93 -0.67 0.00 0.00 178.83 179.93 3hw3 h GLU 181 N 1.07 0.29 -0.57 1.46 4.39 -0.92 0.51 114.58 120.81 3hw3 h GLU 181 Ca 0.26 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.97 3hw3 h GLU 181 Cb 0.14 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 3hw3 h GLU 181 CO -0.03 0.22 0.32 0.52 -1.16 0.00 0.00 179.01 178.88 3hw3 h MET 182 N 0.28 0.60 -0.73 2.33 2.86 -0.99 -2.39 114.93 116.89 3hw3 h MET 182 Ca 0.08 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 3hw3 h MET 182 Cb -0.00 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 3hw3 h MET 182 CO -0.02 0.40 0.29 0.00 1.06 0.00 0.00 176.91 178.65 3hw3 h ALA 183 N 1.28 0.95 0.00 6.32 0.00 -0.68 0.77 119.26 127.90 3hw3 h ALA 183 Ca 0.24 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3hw3 h ALA 183 Cb 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3hw3 h ALA 183 CO -0.13 0.58 -0.17 0.66 0.00 0.00 0.00 179.25 180.18 3hw3 h SER 184 N 1.06 0.00 -0.05 0.00 4.64 -0.73 -2.54 113.55 115.93 3hw3 h SER 184 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3hw3 h SER 184 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3hw3 h SER 184 CO -0.02 0.17 0.00 0.54 -0.87 0.00 0.00 176.83 176.65 3hw3 n ARG 185 N -3.60 2.10 -1.14 4.77 1.74 -0.80 -4.96 116.66 114.77 3hw3 n ARG 185 Ca -0.01 -1.60 -0.05 0.00 -0.77 0.00 0.00 57.85 55.41 3hw3 n ARG 185 Cb 0.31 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.26 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 1.29 0.75 0.07 -0.13 0.00 -0.47 -4.45 105.19 102.26 3hw3 n GLY 186 Ca 0.16 -0.56 0.06 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.57 0.42 -0.17 0.99 4.32 0.14 -4.51 117.00 117.63 3hw3 n LEU 187 Ca -0.05 0.17 0.03 0.00 -0.02 0.00 0.00 56.01 56.14 3hw3 n LEU 187 Cb 0.20 0.07 0.30 0.00 -1.62 0.00 0.00 43.42 42.38 3hw3 n LEU 187 CO 0.08 0.05 1.22 -0.25 -1.22 0.00 0.00 177.39 177.27 3hw3 h TRP 188 N 0.00 0.82 -0.18 -1.77 2.91 -1.83 -2.37 115.95 113.53 3hw3 h TRP 188 Ca -0.11 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 59.88 3hw3 h TRP 188 Cb 1.30 -0.28 -0.00 0.00 -0.51 0.00 0.00 29.16 29.67 3hw3 h TRP 188 CO 0.00 0.50 -0.08 0.22 -1.03 0.00 0.00 178.44 178.05 3hw3 h ASP 189 N 0.87 0.38 -0.39 2.65 -0.00 -1.90 0.36 116.42 118.40 3hw3 h ASP 189 Ca 0.26 -0.41 -0.09 0.00 -0.00 0.00 0.00 57.03 56.79 3hw3 h ASP 189 Cb -0.02 -0.11 -0.01 0.00 -0.00 0.00 0.00 39.33 39.19 3hw3 h ASP 189 CO -0.06 0.70 -0.10 -1.28 -0.00 0.00 0.00 179.24 178.50 3hw3 h SER 190 N 0.06 0.76 -0.06 2.28 0.87 -1.83 -1.32 113.55 114.32 3hw3 h SER 190 Ca 0.04 -0.37 0.03 0.00 -1.23 0.00 0.00 61.79 60.27 3hw3 h SER 190 Cb 0.56 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.27 3hw3 h SER 190 CO 0.03 0.95 -0.18 0.15 -0.53 0.00 0.00 176.83 177.25 3hw3 h PHE 191 N 0.57 -0.47 -0.91 2.24 3.57 -1.35 0.18 116.94 120.78 3hw3 h PHE 191 Ca 0.10 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.70 3hw3 h PHE 191 Cb 0.62 0.22 -0.07 0.00 2.79 0.00 0.00 35.95 39.51 3hw3 h PHE 191 CO 0.05 -0.26 0.56 -0.09 -2.23 0.00 0.00 178.31 176.34 3hw3 h ARG 192 N -0.26 0.94 0.00 1.11 2.43 -0.15 -3.00 114.38 115.45 3hw3 h ARG 192 Ca 0.08 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.06 3hw3 h ARG 192 Cb 0.37 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3hw3 h ARG 192 CO -0.21 0.62 -0.63 1.96 -1.51 0.00 0.00 179.97 180.20 3hw3 h GLN 193 N 0.96 0.00 0.00 0.20 4.20 -0.96 -3.27 115.11 116.25 3hw3 h GLN 193 Ca 0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.13 3hw3 h GLN 193 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3hw3 h GLN 193 CO -0.21 0.63 0.00 -1.13 -0.67 0.00 0.00 178.83 177.45 3hw3 n SER 194 N -3.39 0.70 -4.63 1.46 3.41 0.03 -4.77 113.62 106.43 3hw3 n SER 194 Ca 0.01 0.68 -0.43 0.00 -0.26 0.00 0.00 58.87 58.87 3hw3 n SER 194 Cb 0.73 -0.83 -0.03 0.00 -0.26 0.00 0.00 64.21 63.83 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 -3.35 3.68 0.41 4.33 2.12 -1.23 -4.98 118.70 119.68 3hw3 s GLU 195 Ca 0.04 1.96 0.01 0.00 0.36 0.00 0.00 54.97 57.34 3hw3 s GLU 195 Cb 0.09 -4.16 0.08 0.00 0.26 0.00 0.00 34.13 30.40 3hw3 s GLU 195 CO 0.39 -1.45 0.56 0.54 -0.54 0.00 0.00 175.26 174.76 3hw3 n ARG 196 N 7.95 0.30 0.00 4.30 1.74 -1.26 -5.06 116.66 124.62 3hw3 n ARG 196 Ca 0.22 -1.64 0.10 0.00 -0.77 0.00 0.00 57.85 55.76 3hw3 n ARG 196 Cb 0.44 -0.34 0.08 0.00 -1.02 0.00 0.00 32.46 31.62 3hw3 n ARG 196 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52