#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hw4 s LEU -2 N 0.00 2.23 1.06 1.53 2.96 -1.26 -4.96 118.68 120.23 3hw4 s LEU -2 Ca 0.00 -1.14 -0.16 0.00 -0.22 0.00 0.00 54.13 52.61 3hw4 s LEU -2 Cb 0.00 -1.01 0.22 0.00 0.50 0.00 0.00 46.19 45.91 3hw4 s LEU -2 CO 0.00 -0.27 1.16 -0.83 -1.32 0.00 0.00 176.35 175.09 3hw4 s GLY -1 N 1.53 1.62 0.18 7.98 0.00 -1.26 -5.06 107.32 112.30 3hw4 s GLY -1 Ca -0.03 -0.84 -0.03 0.00 0.00 0.00 0.00 44.72 43.82 3hw4 s GLY -1 CO -0.08 -0.09 0.39 -1.35 0.00 0.00 0.00 173.10 171.97 3hw4 s SER 0 N -4.11 6.44 0.29 1.64 1.04 -1.26 -4.98 113.70 112.77 3hw4 s SER 0 Ca 0.69 0.52 -0.02 0.00 0.48 0.00 0.00 55.95 57.63 3hw4 s SER 0 Cb -0.11 -2.06 0.43 0.00 0.10 0.00 0.00 66.02 64.39 3hw4 s SER 0 CO 0.55 -0.00 1.91 -0.03 0.98 0.00 0.00 173.24 176.64 3hw4 h MET 1 N 2.42 0.96 -0.21 4.02 4.05 -1.97 -1.74 114.93 122.46 3hw4 h MET 1 Ca -0.47 -0.11 -0.00 0.00 -0.28 0.00 0.00 59.70 58.83 3hw4 h MET 1 Cb 1.18 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.78 3hw4 h MET 1 CO 0.70 0.72 0.11 1.49 0.23 0.00 0.00 176.91 180.17 3hw4 h GLU 2 N 0.97 0.29 -0.97 0.39 4.81 -1.92 -0.23 114.58 117.91 3hw4 h GLU 2 Ca 0.24 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 3hw4 h GLU 2 Cb 0.06 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 3hw4 h GLU 2 CO -0.04 0.27 0.65 -0.44 -0.73 0.00 0.00 179.01 178.72 3hw4 h ASP 3 N 0.23 1.12 -0.18 1.04 3.32 -1.92 -1.32 116.42 118.70 3hw4 h ASP 3 Ca 0.07 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.11 3hw4 h ASP 3 Cb 0.07 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3hw4 h ASP 3 CO -0.01 0.81 0.08 0.15 -1.72 0.00 0.00 179.24 178.54 3hw4 h PHE 4 N 1.32 0.15 -0.12 4.55 3.57 -0.83 -1.84 116.94 123.75 3hw4 h PHE 4 Ca 0.36 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.88 3hw4 h PHE 4 Cb -0.15 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 3hw4 h PHE 4 CO -0.00 0.08 0.03 0.28 -2.23 0.00 0.00 178.31 176.47 3hw4 h VAL 5 N 0.18 0.96 0.00 1.41 2.07 -0.74 0.72 116.25 120.85 3hw4 h VAL 5 Ca 0.07 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 3hw4 h VAL 5 Cb 0.03 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3hw4 h VAL 5 CO -0.06 0.02 -0.25 0.03 0.02 0.00 0.00 177.57 177.33 3hw4 h ARG 6 N 0.08 0.00 0.16 1.57 3.08 -1.19 -1.71 114.38 116.37 3hw4 h ARG 6 Ca 0.05 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.80 3hw4 h ARG 6 Cb 0.03 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.09 3hw4 h ARG 6 CO -0.06 0.25 -1.41 1.96 -1.07 0.00 0.00 179.97 179.64 3hw4 h GLN 7 N 0.00 0.34 0.00 0.04 4.20 -0.58 -3.39 115.11 115.71 3hw4 h GLN 7 Ca -0.00 -0.58 -0.21 0.00 0.06 0.00 0.00 58.65 57.92 3hw4 h GLN 7 Cb 0.60 0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.57 3hw4 h GLN 7 CO 0.03 1.25 -1.04 0.00 -0.67 0.00 0.00 178.83 178.40 3hw4 s PHE 9 N -2.72 2.85 0.48 0.00 0.40 -0.67 -5.07 117.98 113.25 3hw4 s PHE 9 Ca 0.01 -0.09 -0.24 0.00 -0.60 0.00 0.00 56.93 56.00 3hw4 s PHE 9 Cb 0.10 -1.49 -0.08 0.00 0.51 0.00 0.00 43.02 42.06 3hw4 s PHE 9 CO 0.81 0.44 1.31 -1.71 0.70 0.00 0.00 175.22 176.78 3hw4 n ASN 10 N 0.77 2.64 0.30 1.36 5.15 -1.26 -4.78 115.26 119.45 3hw4 n ASN 10 Ca -0.13 1.05 0.20 0.00 -0.60 0.00 0.00 54.58 55.10 3hw4 n ASN 10 Cb 0.52 -1.54 0.93 0.00 -0.53 0.00 0.00 39.78 39.17 3hw4 n ASN 10 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3hw4 h PRO 11 N 1.83 0.00 -0.24 1.20 0.11 -1.98 -1.78 132.00 131.13 3hw4 h PRO 11 Ca -0.49 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3hw4 h PRO 11 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 3hw4 h PRO 11 CO 0.59 0.00 0.00 1.98 -0.21 0.00 0.00 178.00 180.36 3hw4 h MET 12 N 0.00 0.43 -0.47 1.05 4.05 -1.99 0.44 114.93 118.44 3hw4 h MET 12 Ca 0.00 -0.13 0.06 0.00 -0.28 0.00 0.00 59.70 59.34 3hw4 h MET 12 Cb 0.24 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.95 3hw4 h MET 12 CO 0.00 0.60 0.18 0.82 0.23 0.00 0.00 176.91 178.74 3hw4 h ILE 13 N 0.20 0.87 -0.32 1.77 1.08 -1.74 0.15 117.51 119.51 3hw4 h ILE 13 Ca 0.07 -0.12 -0.04 0.00 -0.39 0.00 0.00 64.86 64.37 3hw4 h ILE 13 Cb 0.41 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.62 3hw4 h ILE 13 CO 0.01 0.07 0.04 0.58 -0.69 0.00 0.00 178.15 178.16 3hw4 h VAL 14 N 0.36 1.24 -0.73 1.67 2.07 -1.16 0.21 116.25 119.92 3hw4 h VAL 14 Ca 0.22 -0.85 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 3hw4 h VAL 14 Cb 0.20 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3hw4 h VAL 14 CO -0.21 0.28 0.24 -0.08 0.02 0.00 0.00 177.57 177.82 3hw4 h GLU 15 N 0.37 1.13 -0.50 1.57 4.81 -0.56 0.05 114.58 121.44 3hw4 h GLU 15 Ca 0.10 -0.24 -0.07 0.00 -0.13 0.00 0.00 59.36 59.02 3hw4 h GLU 15 Cb 0.37 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3hw4 h GLU 15 CO 0.01 0.96 0.03 -0.07 -0.73 0.00 0.00 179.01 179.21 3hw4 h LEU 16 N 1.08 0.78 -0.55 1.64 3.38 -0.30 -0.79 115.31 120.55 3hw4 h LEU 16 Ca 0.24 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hw4 h LEU 16 Cb 0.29 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3hw4 h LEU 16 CO -0.01 0.83 0.36 0.00 0.09 0.00 0.00 178.44 179.71 3hw4 h ALA 17 N 1.26 0.70 -0.30 1.53 0.00 -0.17 -0.47 119.26 121.81 3hw4 h ALA 17 Ca 0.15 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3hw4 h ALA 17 Cb 0.42 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3hw4 h ALA 17 CO 0.02 0.15 0.11 0.93 0.00 0.00 0.00 179.25 180.46 3hw4 h GLU 18 N 0.75 0.25 -0.73 0.00 5.08 -0.61 -2.00 114.58 117.31 3hw4 h GLU 18 Ca 0.20 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3hw4 h GLU 18 Cb -0.07 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 3hw4 h GLU 18 CO -0.04 0.16 0.48 0.87 -1.00 0.00 0.00 179.01 179.48 3hw4 h LYS 19 N 0.25 0.95 -0.10 2.33 1.79 -0.91 0.25 116.57 121.14 3hw4 h LYS 19 Ca 0.13 -0.06 -0.09 0.00 -2.18 0.00 0.00 60.65 58.45 3hw4 h LYS 19 Cb 0.09 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 3hw4 h LYS 19 CO -0.13 0.63 -0.36 0.00 -1.08 0.00 0.00 179.45 178.52 3hw4 h ALA 20 N 1.27 1.22 -0.04 3.86 0.00 -0.82 -1.99 119.26 122.75 3hw4 h ALA 20 Ca 0.27 -0.37 -0.25 0.00 0.00 0.00 0.00 54.91 54.56 3hw4 h ALA 20 Cb -0.10 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.62 3hw4 h ALA 20 CO -0.06 0.53 -0.97 0.52 0.00 0.00 0.00 179.25 179.27 3hw4 h MET 21 N 0.18 0.71 -0.38 0.00 2.86 -1.03 -3.29 114.93 113.97 3hw4 h MET 21 Ca 0.02 -0.71 -0.05 0.00 -2.06 0.00 0.00 59.70 56.90 3hw4 h MET 21 Cb 0.72 0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.55 3hw4 h MET 21 CO 0.05 1.30 0.04 0.87 1.06 0.00 0.00 176.91 180.23 3hw4 h LYS 22 N 0.43 0.59 0.00 1.72 1.57 -0.63 -0.68 116.57 119.55 3hw4 h LYS 22 Ca -0.11 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3hw4 h LYS 22 Cb 1.61 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.83 3hw4 h LYS 22 CO 0.19 0.58 0.00 -0.85 -0.57 0.00 0.00 179.45 178.80 3hw4 n GLU 23 N -4.29 0.07 -0.23 3.15 0.28 -0.78 0.80 120.64 119.64 3hw4 n GLU 23 Ca 0.02 0.25 0.11 0.00 -0.16 0.00 0.00 57.16 57.38 3hw4 n GLU 23 Cb 0.23 -1.62 0.26 0.00 1.43 0.00 0.00 31.44 31.74 3hw4 n GLU 23 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3hw4 n TYR 24 N -1.74 0.60 -0.96 -1.84 4.02 -0.57 -4.97 117.16 111.70 3hw4 n TYR 24 Ca 0.04 -0.30 0.00 0.00 -0.01 0.00 0.00 57.90 57.63 3hw4 n TYR 24 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 3hw4 n TYR 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hw4 n GLY 25 N 1.47 0.09 3.80 2.72 0.00 0.24 -5.01 105.19 108.50 3hw4 n GLY 25 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3hw4 n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hw4 s GLU 26 N -1.57 3.62 -0.17 1.61 2.02 -0.37 -4.92 118.70 118.93 3hw4 s GLU 26 Ca 0.00 1.27 -0.02 0.00 0.02 0.00 0.00 54.97 56.25 3hw4 s GLU 26 Cb 0.00 -2.07 -0.01 0.00 0.10 0.00 0.00 34.13 32.15 3hw4 s GLU 26 CO 0.00 -0.57 -0.10 0.34 0.02 0.00 0.00 175.26 174.95 3hw4 s ASP 27 N -2.37 4.11 0.32 -0.19 3.68 -1.26 -3.75 116.67 117.21 3hw4 s ASP 27 Ca 0.65 -0.35 0.09 0.00 2.13 0.00 0.00 52.55 55.07 3hw4 s ASP 27 Cb -0.16 -1.66 0.85 0.00 -1.45 0.00 0.00 42.92 40.50 3hw4 s ASP 27 CO 0.27 0.09 1.76 -0.65 0.13 0.00 0.00 175.17 176.77 3hw4 h PRO 28 N 7.25 0.62 0.00 4.34 0.11 -1.93 -0.92 132.00 141.47 3hw4 h PRO 28 Ca -0.33 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 3hw4 h PRO 28 Cb 1.19 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3hw4 h PRO 28 CO 0.58 0.41 -0.03 0.87 -0.21 0.00 0.00 178.00 179.62 3hw4 h LYS 29 N 0.64 0.00 0.00 1.05 1.57 -1.97 -3.20 116.57 114.66 3hw4 h LYS 29 Ca 0.61 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 59.01 3hw4 h LYS 29 Cb 1.11 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.36 3hw4 h LYS 29 CO -0.41 0.03 -2.08 -0.89 -0.57 0.00 0.00 179.45 175.53 3hw4 n ILE 30 N -3.15 1.53 -2.26 1.86 -0.00 -0.84 -4.64 119.36 111.86 3hw4 n ILE 30 Ca 0.00 -0.25 -0.41 0.00 -0.00 0.00 0.00 62.75 62.09 3hw4 n ILE 30 Cb 0.31 -1.95 0.01 0.00 -0.00 0.00 0.00 39.64 38.01 3hw4 n ILE 30 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 3hw4 n GLU 31 N -4.32 4.89 0.03 0.38 -0.58 -0.41 -4.82 120.64 115.81 3hw4 n GLU 31 Ca -0.46 -3.94 -0.11 0.00 -0.42 0.00 0.00 57.16 52.23 3hw4 n GLU 31 Cb 0.81 -2.58 0.02 0.00 -0.57 0.00 0.00 31.44 29.12 3hw4 n GLU 31 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 3hw4 h THR 32 N 2.51 1.35 -0.18 2.62 2.02 -1.82 -1.21 112.91 118.21 3hw4 h THR 32 Ca 0.62 -2.06 -0.11 0.00 0.77 0.00 0.00 66.41 65.63 3hw4 h THR 32 Cb 0.32 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 3hw4 h THR 32 CO 1.37 0.63 -0.38 0.78 0.37 0.00 0.00 175.52 178.28 3hw4 h ASN 33 N 0.34 0.41 -0.07 4.18 2.35 -1.89 -1.68 115.58 119.21 3hw4 h ASN 33 Ca -0.03 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.46 3hw4 h ASN 33 Cb 1.29 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.53 3hw4 h ASN 33 CO 0.13 0.76 -0.22 0.50 -1.65 0.00 0.00 177.43 176.95 3hw4 h LYS 34 N 0.33 0.48 -0.28 0.81 3.64 -1.86 -0.37 116.57 119.32 3hw4 h LYS 34 Ca 0.03 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 3hw4 h LYS 34 Cb 0.82 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 3hw4 h LYS 34 CO 0.07 0.67 0.12 0.35 -2.27 0.00 0.00 179.45 178.38 3hw4 h PHE 35 N 0.43 0.43 -0.67 1.91 -0.00 -0.82 -0.04 116.94 118.17 3hw4 h PHE 35 Ca 0.07 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.97 58.00 3hw4 h PHE 35 Cb 0.62 -0.13 -0.03 0.00 -0.00 0.00 0.00 35.95 36.41 3hw4 h PHE 35 CO 0.02 0.42 0.38 0.00 -0.00 0.00 0.00 178.31 179.13 3hw4 h ALA 36 N 0.96 0.86 -0.71 2.41 0.00 -1.02 -2.23 119.26 119.53 3hw4 h ALA 36 Ca 0.09 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3hw4 h ALA 36 Cb 0.17 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3hw4 h ALA 36 CO -0.01 0.36 0.16 0.00 0.00 0.00 0.00 179.25 179.77 3hw4 h ALA 37 N 1.19 0.93 -0.37 0.00 0.00 -0.76 -1.84 119.26 118.41 3hw4 h ALA 37 Ca 0.24 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3hw4 h ALA 37 Cb 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3hw4 h ALA 37 CO -0.04 0.67 0.08 0.82 0.00 0.00 0.00 179.25 180.78 3hw4 h ILE 38 N 1.08 1.23 -0.73 0.00 2.04 -0.93 -0.25 117.51 119.94 3hw4 h ILE 38 Ca 0.22 -0.78 0.02 0.00 1.00 0.00 0.00 64.86 65.32 3hw4 h ILE 38 Cb 0.39 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 3hw4 h ILE 38 CO 0.00 0.27 0.47 0.00 0.00 0.00 0.00 178.15 178.89 3hw4 h THR 40 N 0.94 1.09 -0.45 0.00 2.02 -1.07 -0.55 112.91 114.89 3hw4 h THR 40 Ca 0.28 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 67.23 3hw4 h THR 40 Cb -0.03 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 3hw4 h THR 40 CO -0.09 0.09 0.06 -0.74 0.37 0.00 0.00 175.52 175.21 3hw4 h HIS 41 N 0.47 0.80 -0.79 3.16 6.17 -0.91 -1.41 115.15 122.65 3hw4 h HIS 41 Ca 0.13 -0.12 0.04 0.00 0.71 0.00 0.00 60.37 61.13 3hw4 h HIS 41 Cb -0.05 -0.22 -0.05 0.00 2.52 0.00 0.00 27.41 29.62 3hw4 h HIS 41 CO -0.05 0.76 0.49 -0.07 0.71 0.00 0.00 177.93 179.77 3hw4 h LEU 42 N 0.61 0.80 -0.13 0.26 -0.00 -1.00 -0.97 115.31 114.88 3hw4 h LEU 42 Ca 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.01 3hw4 h LEU 42 Cb 0.40 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.89 3hw4 h LEU 42 CO 0.01 0.54 0.05 -0.08 -0.00 0.00 0.00 178.44 178.96 3hw4 h GLU 43 N 0.94 0.20 -0.81 1.13 4.81 -0.52 -1.53 114.58 118.80 3hw4 h GLU 43 Ca 0.32 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.60 3hw4 h GLU 43 Cb 0.06 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.34 3hw4 h GLU 43 CO -0.13 0.31 0.47 0.28 -0.73 0.00 0.00 179.01 179.21 3hw4 h VAL 44 N 0.04 0.93 -0.56 0.32 2.07 -1.09 0.10 116.25 118.07 3hw4 h VAL 44 Ca 0.04 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 3hw4 h VAL 44 Cb 0.19 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 3hw4 h VAL 44 CO -0.00 0.15 0.29 0.00 0.02 0.00 0.00 177.57 178.02 3hw4 h PHE 46 N 0.76 0.48 -0.10 0.00 0.04 -0.77 -2.17 116.94 115.18 3hw4 h PHE 46 Ca 0.19 -0.08 -0.17 0.00 2.80 0.00 0.00 57.97 60.72 3hw4 h PHE 46 Cb 0.09 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 3hw4 h PHE 46 CO -0.01 0.60 -0.66 0.52 -0.60 0.00 0.00 178.31 178.16 3hw4 h MET 47 N 0.40 0.39 -0.25 1.51 2.86 -0.10 -3.03 114.93 116.71 3hw4 h MET 47 Ca 0.07 -0.29 -0.10 0.00 -2.06 0.00 0.00 59.70 57.32 3hw4 h MET 47 Cb 0.54 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 3hw4 h MET 47 CO 0.04 0.91 -0.27 -0.92 1.06 0.00 0.00 176.91 177.73 3hw4 h TYR 48 N 0.28 0.54 -3.35 -0.22 5.03 -0.32 -3.50 116.97 115.43 3hw4 h TYR 48 Ca -0.02 -0.12 -0.42 0.00 2.58 0.00 0.00 58.73 60.76 3hw4 h TYR 48 Cb 1.21 -0.13 0.20 0.00 1.55 0.00 0.00 36.73 39.55 3hw4 h TYR 48 CO 0.04 0.71 0.03 -1.12 -1.32 0.00 0.00 178.16 176.50 3hw4 s SER 49 N -6.81 0.66 0.00 -2.11 0.01 -0.86 -5.01 113.70 99.58 3hw4 s SER 49 Ca -0.07 1.08 0.00 0.00 1.31 0.00 0.00 55.95 58.27 3hw4 s SER 49 Cb 0.14 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.73 3hw4 s SER 49 CO 0.79 -4.33 0.00 1.41 0.41 0.00 0.00 173.24 171.52 3hw4 n HIS 74 N -4.96 0.00 -0.14 2.43 -0.00 -1.26 -4.98 115.22 106.31 3hw4 n HIS 74 Ca 0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.72 3hw4 n HIS 74 Cb 0.57 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.57 3hw4 n HIS 74 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 3hw4 h ARG 75 N 0.00 0.56 -5.28 -0.41 2.43 -2.00 -3.43 114.38 106.25 3hw4 h ARG 75 Ca 0.00 -0.03 -0.63 0.00 -0.81 0.00 0.00 59.98 58.50 3hw4 h ARG 75 Cb 0.00 -0.13 -0.21 0.00 -0.42 0.00 0.00 29.97 29.22 3hw4 h ARG 75 CO 0.00 0.37 -0.65 -0.06 -1.51 0.00 0.00 179.97 178.13 3hw4 s PHE 76 N -6.16 3.07 -0.16 2.20 0.40 -1.26 -1.47 117.98 114.60 3hw4 s PHE 76 Ca -0.13 -0.24 -0.21 0.00 -0.60 0.00 0.00 56.93 55.75 3hw4 s PHE 76 Cb 0.11 -1.99 -0.03 0.00 0.51 0.00 0.00 43.02 41.62 3hw4 s PHE 76 CO 0.73 -0.02 0.62 -2.00 0.70 0.00 0.00 175.22 175.25 3hw4 s GLU 77 N 0.43 4.28 -0.19 0.44 2.56 0.37 -4.92 118.70 121.67 3hw4 s GLU 77 Ca -0.02 0.65 -0.24 0.00 0.00 0.00 0.00 54.97 55.36 3hw4 s GLU 77 Cb -0.14 -3.53 -0.02 0.00 2.00 0.00 0.00 34.13 32.44 3hw4 s GLU 77 CO 0.02 -0.12 0.76 0.42 -0.56 0.00 0.00 175.26 175.79 3hw4 s ILE 78 N 1.49 4.92 -0.12 -3.70 1.01 -1.26 -1.41 121.20 122.13 3hw4 s ILE 78 Ca 0.30 1.47 -0.04 0.00 0.00 0.00 0.00 60.65 62.39 3hw4 s ILE 78 Cb -0.16 -4.07 -0.06 0.00 0.01 0.00 0.00 42.46 38.18 3hw4 s ILE 78 CO 0.12 0.04 -0.14 -0.38 0.00 0.00 0.00 174.94 174.58 3hw4 n ILE 79 N 4.79 0.68 -1.58 2.92 2.08 -0.11 -4.83 119.36 123.30 3hw4 n ILE 79 Ca 0.03 -0.21 -0.43 0.00 0.56 0.00 0.00 62.75 62.70 3hw4 n ILE 79 Cb 0.49 -1.38 -0.01 0.00 -0.75 0.00 0.00 39.64 37.99 3hw4 n ILE 79 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 3hw4 n GLU 80 N -3.29 1.25 -0.96 0.38 4.07 -0.52 -2.35 120.64 119.23 3hw4 n GLU 80 Ca -0.23 0.44 0.00 0.00 -0.06 0.00 0.00 57.16 57.31 3hw4 n GLU 80 Cb 0.69 -1.86 0.00 0.00 -0.06 0.00 0.00 31.44 30.22 3hw4 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hw4 n GLY 81 N 1.28 0.70 3.90 8.31 0.00 -1.26 -5.00 105.19 113.12 3hw4 n GLY 81 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 3hw4 n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hw4 s ARG 82 N -0.19 3.65 -0.19 1.61 0.52 -0.99 -5.02 118.95 118.33 3hw4 s ARG 82 Ca 0.00 0.18 -0.41 0.00 -0.52 0.00 0.00 55.73 54.99 3hw4 s ARG 82 Cb 0.00 -2.49 -0.18 0.00 0.52 0.00 0.00 34.95 32.80 3hw4 s ARG 82 CO 0.00 0.02 1.50 -3.47 0.02 0.00 0.00 175.30 173.37 3hw4 n ASP 83 N -1.45 1.52 -0.33 0.23 2.03 -1.26 -4.75 116.55 112.54 3hw4 n ASP 83 Ca -0.00 1.13 0.23 0.00 0.52 0.00 0.00 54.79 56.67 3hw4 n ASP 83 Cb 0.54 -1.05 0.46 0.00 -0.72 0.00 0.00 41.12 40.35 3hw4 n ASP 83 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3hw4 h ARG 84 N 5.34 0.32 0.03 -0.67 2.47 -1.95 0.48 114.38 120.40 3hw4 h ARG 84 Ca -0.47 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.23 3hw4 h ARG 84 Cb 1.35 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.60 3hw4 h ARG 84 CO 0.87 0.21 -0.01 1.15 0.56 0.00 0.00 179.97 182.75 3hw4 h THR 85 N 0.33 1.26 -0.43 2.04 2.02 -2.00 -1.15 112.91 114.99 3hw4 h THR 85 Ca 0.72 -0.93 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 3hw4 h THR 85 Cb 1.62 1.88 -0.02 0.00 -1.74 0.00 0.00 68.15 69.90 3hw4 h THR 85 CO -0.60 0.24 0.04 0.24 0.37 0.00 0.00 175.52 175.81 3hw4 h MET 86 N -0.45 0.72 -0.51 6.66 2.86 -1.66 -1.13 114.93 121.42 3hw4 h MET 86 Ca -0.00 -0.21 0.09 0.00 -2.06 0.00 0.00 59.70 57.52 3hw4 h MET 86 Cb 0.42 -0.08 -0.10 0.00 0.06 0.00 0.00 31.60 31.90 3hw4 h MET 86 CO 0.01 0.77 -0.33 0.00 1.06 0.00 0.00 176.91 178.42 3hw4 h ALA 87 N 0.92 -0.10 -0.72 6.32 0.00 -0.02 0.30 119.26 125.97 3hw4 h ALA 87 Ca 0.13 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3hw4 h ALA 87 Cb 0.42 0.75 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 3hw4 h ALA 87 CO 0.01 -0.69 0.27 -1.49 0.00 0.00 0.00 179.25 177.35 3hw4 h TRP 88 N -0.20 1.09 -0.50 0.00 4.06 -1.06 -0.92 115.95 118.42 3hw4 h TRP 88 Ca 0.21 -0.08 -0.04 0.00 2.06 0.00 0.00 58.89 61.03 3hw4 h TRP 88 Cb 0.54 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 28.36 3hw4 h TRP 88 CO -0.60 0.83 0.14 1.79 -3.56 0.00 0.00 178.44 177.05 3hw4 h THR 89 N 1.04 1.23 -0.51 1.49 1.35 0.12 0.22 112.91 117.85 3hw4 h THR 89 Ca 0.24 -0.80 -0.01 0.00 -0.55 0.00 0.00 66.41 65.29 3hw4 h THR 89 Cb 0.22 0.80 -0.02 0.00 -1.73 0.00 0.00 68.15 67.42 3hw4 h THR 89 CO -0.02 0.29 0.29 1.62 -0.25 0.00 0.00 175.52 177.46 3hw4 h VAL 90 N 0.69 1.17 0.34 6.82 3.04 -0.27 -1.42 116.25 126.60 3hw4 h VAL 90 Ca 0.16 -0.40 -0.02 0.00 -1.01 0.00 0.00 66.70 65.44 3hw4 h VAL 90 Cb 0.30 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 30.09 3hw4 h VAL 90 CO -0.00 0.17 -0.16 0.58 -1.01 0.00 0.00 177.57 177.15 3hw4 h VAL 91 N 0.68 0.67 -0.73 1.51 2.07 -0.79 -2.27 116.25 117.40 3hw4 h VAL 91 Ca 0.18 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.76 3hw4 h VAL 91 Cb 0.02 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 30.40 3hw4 h VAL 91 CO -0.03 0.00 0.39 0.78 0.02 0.00 0.00 177.57 178.74 3hw4 h ASN 92 N -0.46 0.56 -0.14 0.57 -0.26 -0.56 -3.10 115.58 112.19 3hw4 h ASN 92 Ca -0.05 0.04 0.02 0.00 -0.56 0.00 0.00 56.30 55.76 3hw4 h ASN 92 Cb 0.35 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.53 3hw4 h ASN 92 CO 0.08 0.34 0.01 -1.28 -1.06 0.00 0.00 177.43 175.51 3hw4 h SER 93 N 0.69 -0.03 0.00 5.81 0.87 -1.13 -2.94 113.55 116.82 3hw4 h SER 93 Ca 0.34 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 3hw4 h SER 93 Cb 0.29 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 3hw4 h SER 93 CO -0.23 0.01 0.00 -0.38 -0.53 0.00 0.00 176.83 175.70 3hw4 n ILE 94 N -5.11 0.00 0.00 2.23 5.41 -0.86 -2.28 119.36 118.75 3hw4 n ILE 94 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.71 3hw4 n ILE 94 Cb 0.08 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.01 3hw4 n ILE 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hw4 n ASN 96 N 0.00 0.98 0.05 0.00 0.23 -1.11 -3.68 115.26 111.73 3hw4 n ASN 96 Ca 0.00 -0.99 0.11 0.00 -0.53 0.00 0.00 54.58 53.17 3hw4 n ASN 96 Cb 0.00 0.95 -0.06 0.00 -2.08 0.00 0.00 39.78 38.59 3hw4 n ASN 96 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 3hw4 n THR 97 N -1.31 0.31 -4.57 5.53 -1.04 -0.85 -4.88 114.28 107.47 3hw4 n THR 97 Ca 0.04 -0.47 -0.26 0.00 -2.04 0.00 0.00 64.05 61.32 3hw4 n THR 97 Cb 0.30 -0.11 -0.11 0.00 -1.82 0.00 0.00 70.33 68.60 3hw4 n THR 97 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3hw4 s THR 98 N -3.39 1.97 0.49 12.58 -4.23 -1.26 -5.05 115.64 116.75 3hw4 s THR 98 Ca -0.02 -2.07 0.41 0.00 -1.18 0.00 0.00 61.69 58.83 3hw4 s THR 98 Cb 0.12 -2.83 0.43 0.00 1.34 0.00 0.00 72.50 71.56 3hw4 s THR 98 CO 0.84 -0.08 2.25 1.23 -0.54 0.00 0.00 174.62 178.31 3hw4 h GLY 99 N 1.92 0.00 -4.49 3.99 0.00 -1.90 -3.38 103.07 99.21 3hw4 h GLY 99 Ca -0.43 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.37 3hw4 h GLY 99 CO 0.76 0.00 0.95 -0.62 0.00 0.00 0.00 176.54 177.62 3hw4 n VAL 100 N -3.07 0.52 -1.95 4.60 0.31 -1.24 -4.88 118.33 112.61 3hw4 n VAL 100 Ca -0.02 -0.13 -0.37 0.00 -0.01 0.00 0.00 64.34 63.81 3hw4 n VAL 100 Cb 0.14 -1.97 0.04 0.00 -0.91 0.00 0.00 33.84 31.13 3hw4 n VAL 100 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3hw4 s GLU 101 N 0.31 3.00 -0.14 5.55 2.12 -1.26 -4.28 118.70 124.00 3hw4 s GLU 101 Ca 0.69 1.93 -0.29 0.00 0.36 0.00 0.00 54.97 57.66 3hw4 s GLU 101 Cb -0.50 -2.01 -0.03 0.00 0.26 0.00 0.00 34.13 31.84 3hw4 s GLU 101 CO 0.41 -1.21 1.52 0.15 -0.54 0.00 0.00 175.26 175.59 3hw4 s LYS 102 N -3.21 4.08 0.54 4.30 -0.14 -1.26 -4.98 119.74 119.08 3hw4 s LYS 102 Ca 0.76 1.87 -0.20 0.00 -1.36 0.00 0.00 55.97 57.04 3hw4 s LYS 102 Cb -0.33 -3.94 -0.06 0.00 -1.68 0.00 0.00 37.83 31.82 3hw4 s LYS 102 CO 0.37 -0.94 1.02 -2.30 -0.76 0.00 0.00 175.35 172.73 3hw4 n PRO 103 N 7.14 1.12 0.05 -1.68 -0.02 -1.26 -4.92 135.00 135.43 3hw4 n PRO 103 Ca 0.17 0.42 -0.08 0.00 -2.02 0.00 0.00 63.50 61.99 3hw4 n PRO 103 Cb 0.44 -2.18 0.07 0.00 -0.02 0.00 0.00 33.50 31.81 3hw4 n PRO 103 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3hw4 h LYS 104 N 0.90 0.37 -5.77 -0.52 1.57 -1.92 -3.45 116.57 107.74 3hw4 h LYS 104 Ca -0.48 -0.27 -0.49 0.00 -1.87 0.00 0.00 60.65 57.55 3hw4 h LYS 104 Cb 1.35 0.05 -0.19 0.00 0.08 0.00 0.00 32.23 33.51 3hw4 h LYS 104 CO 0.53 0.89 -0.78 -0.06 -0.57 0.00 0.00 179.45 179.46 3hw4 s PHE 105 N -3.74 1.63 0.16 -1.35 0.08 -1.26 -5.10 117.98 108.40 3hw4 s PHE 105 Ca -0.05 -0.49 -0.33 0.00 0.12 0.00 0.00 56.93 56.18 3hw4 s PHE 105 Cb 0.11 -0.85 -0.13 0.00 -0.57 0.00 0.00 43.02 41.58 3hw4 s PHE 105 CO 0.82 0.22 1.65 1.28 -0.10 0.00 0.00 175.22 179.09 3hw4 n LEU 106 N 0.60 3.39 0.00 -0.37 4.77 -1.26 -4.99 117.00 119.14 3hw4 n LEU 106 Ca -0.16 1.07 -0.18 0.00 -0.03 0.00 0.00 56.01 56.70 3hw4 n LEU 106 Cb 0.56 -1.47 0.12 0.00 -2.33 0.00 0.00 43.42 40.30 3hw4 n LEU 106 CO 0.27 -0.14 0.51 -0.81 -1.33 0.00 0.00 177.39 175.89 3hw4 n PRO 107 N 3.88 -0.47 -0.01 3.23 -0.04 -1.26 -5.04 135.00 135.29 3hw4 n PRO 107 Ca 0.17 -1.60 -0.22 0.00 -0.04 0.00 0.00 63.50 61.82 3hw4 n PRO 107 Cb 0.31 -0.74 -0.14 0.00 -0.04 0.00 0.00 33.50 32.90 3hw4 n PRO 107 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3hw4 n ASP 108 N -3.32 2.09 -4.20 3.54 8.00 0.35 -3.90 116.55 119.11 3hw4 n ASP 108 Ca 0.11 0.25 -0.12 0.00 0.71 0.00 0.00 54.79 55.75 3hw4 n ASP 108 Cb 0.40 -0.89 -0.10 0.00 -0.02 0.00 0.00 41.12 40.51 3hw4 n ASP 108 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hw4 s LEU 109 N -7.19 1.71 -0.11 0.64 1.43 -0.61 -0.94 118.68 113.61 3hw4 s LEU 109 Ca -0.23 -1.26 0.03 0.00 -1.03 0.00 0.00 54.13 51.64 3hw4 s LEU 109 Cb 0.06 0.21 0.00 0.00 0.03 0.00 0.00 46.19 46.49 3hw4 s LEU 109 CO 0.74 -0.72 -0.22 -0.47 0.23 0.00 0.00 176.35 175.92 3hw4 s TYR 110 N -3.95 2.49 -0.54 0.29 5.04 -0.50 -1.32 117.35 118.86 3hw4 s TYR 110 Ca 0.29 -1.10 -0.19 0.00 -2.44 0.00 0.00 57.07 53.62 3hw4 s TYR 110 Cb 0.07 -1.68 0.07 0.00 0.35 0.00 0.00 41.96 40.77 3hw4 s TYR 110 CO 0.06 -0.47 0.68 0.34 -1.34 0.00 0.00 175.55 174.81 3hw4 s ASP 111 N 0.54 6.21 0.56 4.32 3.68 -0.31 -0.48 116.67 131.20 3hw4 s ASP 111 Ca -0.14 -1.05 0.37 0.00 2.13 0.00 0.00 52.55 53.86 3hw4 s ASP 111 Cb -0.17 -2.30 1.74 0.00 -1.45 0.00 0.00 42.92 40.73 3hw4 s ASP 111 CO 0.05 -0.99 2.10 1.88 0.13 0.00 0.00 175.17 178.33 3hw4 h TYR 112 N 9.09 0.00 0.00 -5.34 0.05 -1.55 0.23 116.97 119.45 3hw4 h TYR 112 Ca -0.28 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.42 3hw4 h TYR 112 Cb 1.09 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.82 3hw4 h TYR 112 CO 0.79 0.00 -0.48 -0.22 -1.05 0.00 0.00 178.16 177.20 3hw4 h LYS 113 N 0.00 0.00 -0.01 4.88 3.11 -1.92 -3.33 116.57 119.30 3hw4 h LYS 113 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3hw4 h LYS 113 Cb 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.51 3hw4 h LYS 113 CO 0.00 0.84 -0.00 0.39 -2.81 0.00 0.00 179.45 177.87 3hw4 n GLU 114 N -4.56 1.26 -3.89 1.90 -0.58 -1.20 -4.96 120.64 108.60 3hw4 n GLU 114 Ca -0.17 -0.39 -0.37 0.00 -0.42 0.00 0.00 57.16 55.80 3hw4 n GLU 114 Cb 0.49 -1.49 0.02 0.00 -0.57 0.00 0.00 31.44 29.89 3hw4 n GLU 114 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hw4 n ASN 115 N -0.53 -4.17 -3.51 1.62 4.13 0.78 -4.99 115.26 108.59 3hw4 n ASN 115 Ca 0.22 -1.15 -0.12 0.00 1.68 0.00 0.00 54.58 55.21 3hw4 n ASN 115 Cb 0.21 -2.57 -0.03 0.00 -1.54 0.00 0.00 39.78 35.84 3hw4 n ASN 115 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hw4 s ARG 116 N -6.69 1.17 0.57 3.52 1.70 -1.03 -4.98 118.95 113.22 3hw4 s ARG 116 Ca 0.43 -0.51 -0.14 0.00 -0.47 0.00 0.00 55.73 55.03 3hw4 s ARG 116 Cb -0.19 0.53 -0.05 0.00 -0.57 0.00 0.00 34.95 34.67 3hw4 s ARG 116 CO 0.92 -0.48 1.02 -0.06 -1.08 0.00 0.00 175.30 175.61 3hw4 s PHE 117 N -3.58 3.37 -0.01 5.89 0.40 -1.26 -1.16 117.98 121.63 3hw4 s PHE 117 Ca 0.01 1.43 0.02 0.00 -0.60 0.00 0.00 56.93 57.79 3hw4 s PHE 117 Cb 0.00 -2.83 0.00 0.00 0.51 0.00 0.00 43.02 40.70 3hw4 s PHE 117 CO -0.11 -0.69 -0.07 0.42 0.70 0.00 0.00 175.22 175.48 3hw4 s ILE 118 N -2.77 0.56 -0.24 0.64 1.01 -0.43 -0.02 121.20 119.95 3hw4 s ILE 118 Ca 0.59 -0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.91 3hw4 s ILE 118 Cb -0.12 -0.50 -0.02 0.00 0.01 0.00 0.00 42.46 41.83 3hw4 s ILE 118 CO 0.40 0.17 0.04 -1.61 0.00 0.00 0.00 174.94 173.94 3hw4 s GLU 119 N 0.06 3.58 -0.17 2.79 0.41 0.16 -0.50 118.70 125.03 3hw4 s GLU 119 Ca -0.00 -0.52 -0.10 0.00 -0.41 0.00 0.00 54.97 53.94 3hw4 s GLU 119 Cb -0.05 -3.23 -0.05 0.00 -1.78 0.00 0.00 34.13 29.02 3hw4 s GLU 119 CO -0.00 -0.19 0.15 0.42 -0.49 0.00 0.00 175.26 175.15 3hw4 s ILE 120 N 1.56 5.42 0.10 -1.63 1.01 -1.26 -1.41 121.20 124.99 3hw4 s ILE 120 Ca 0.06 0.24 0.09 0.00 0.00 0.00 0.00 60.65 61.04 3hw4 s ILE 120 Cb -0.15 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 3hw4 s ILE 120 CO 0.02 0.48 -0.23 -0.83 0.00 0.00 0.00 174.94 174.37 3hw4 s GLY 121 N 0.03 1.33 -0.14 6.18 0.00 -0.38 -4.98 107.32 109.36 3hw4 s GLY 121 Ca 0.11 -1.28 0.01 0.00 0.00 0.00 0.00 44.72 43.55 3hw4 s GLY 121 CO 0.00 -1.25 -0.15 0.14 0.00 0.00 0.00 173.10 171.84 3hw4 s VAL 122 N -1.04 1.60 0.07 1.40 1.01 -1.26 -0.85 120.40 121.33 3hw4 s VAL 122 Ca 0.09 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.50 3hw4 s VAL 122 Cb -0.10 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 3hw4 s VAL 122 CO 0.04 0.46 -0.25 0.28 0.00 0.00 0.00 175.10 175.63 3hw4 s THR 123 N 1.33 2.08 -0.73 3.92 -1.32 -0.49 -4.99 115.64 115.45 3hw4 s THR 123 Ca 0.02 -1.47 0.26 0.00 -1.21 0.00 0.00 61.69 59.28 3hw4 s THR 123 Cb -0.13 -1.81 0.23 0.00 -1.51 0.00 0.00 72.50 69.28 3hw4 s THR 123 CO -0.08 0.24 1.68 0.54 -2.21 0.00 0.00 174.62 174.80 3hw4 n ARG 124 N 1.51 0.26 0.00 7.08 1.74 -1.26 -3.36 116.66 122.63 3hw4 n ARG 124 Ca -0.17 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3hw4 n ARG 124 Cb 0.52 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 3hw4 n ARG 124 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hw4 n ARG 125 N -2.20 3.96 -2.86 5.56 1.74 -1.26 -4.89 116.66 116.72 3hw4 n ARG 125 Ca 0.05 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.73 3hw4 n ARG 125 Cb 0.43 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.82 3hw4 n ARG 125 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3hw4 s GLU 126 N 4.00 4.59 0.36 5.56 2.02 -1.26 -4.90 118.70 129.07 3hw4 s GLU 126 Ca 0.00 1.25 0.04 0.00 0.02 0.00 0.00 54.97 56.28 3hw4 s GLU 126 Cb 0.00 -3.38 0.69 0.00 0.10 0.00 0.00 34.13 31.54 3hw4 s GLU 126 CO 0.00 0.23 1.97 -0.39 0.02 0.00 0.00 175.26 177.09 3hw4 h VAL 127 N 4.14 1.16 -0.28 2.63 -1.51 -1.94 -2.09 116.25 118.37 3hw4 h VAL 127 Ca -0.43 -0.46 -0.01 0.00 -1.23 0.00 0.00 66.70 64.57 3hw4 h VAL 127 Cb 1.21 0.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.95 3hw4 h VAL 127 CO 0.72 0.18 0.14 -0.74 -1.23 0.00 0.00 177.57 176.64 3hw4 h HIS 128 N 0.63 0.39 0.17 5.19 6.17 -1.94 0.60 115.15 126.36 3hw4 h HIS 128 Ca 0.16 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.22 3hw4 h HIS 128 Cb 0.08 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 29.89 3hw4 h HIS 128 CO 0.01 0.34 -0.08 1.15 0.71 0.00 0.00 177.93 180.06 3hw4 h THR 129 N 0.32 0.85 -0.63 6.26 2.02 -1.89 -2.20 112.91 117.64 3hw4 h THR 129 Ca 0.10 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.18 3hw4 h THR 129 Cb 0.09 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 3hw4 h THR 129 CO -0.01 0.02 0.29 0.22 0.37 0.00 0.00 175.52 176.40 3hw4 h TYR 130 N -0.26 0.93 -0.50 3.16 3.20 -1.28 -1.59 116.97 120.63 3hw4 h TYR 130 Ca -0.02 -0.05 0.09 0.00 3.14 0.00 0.00 58.73 61.89 3hw4 h TYR 130 Cb 0.20 -0.29 -0.10 0.00 1.54 0.00 0.00 36.73 38.08 3hw4 h TYR 130 CO -0.06 0.71 -0.32 -0.92 -1.64 0.00 0.00 178.16 175.93 3hw4 h TYR 131 N 0.88 -0.89 -0.72 -3.82 3.20 -0.75 -1.51 116.97 113.36 3hw4 h TYR 131 Ca 0.22 0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.15 3hw4 h TYR 131 Cb 0.15 0.46 -0.04 0.00 1.54 0.00 0.00 36.73 38.84 3hw4 h TYR 131 CO 0.01 -0.38 0.46 -0.07 -1.64 0.00 0.00 178.16 176.53 3hw4 h LEU 132 N -0.20 0.84 -0.02 2.82 3.38 -0.84 -0.24 115.31 121.05 3hw4 h LEU 132 Ca 0.21 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3hw4 h LEU 132 Cb 0.54 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3hw4 h LEU 132 CO -0.61 0.62 0.01 -0.33 0.09 0.00 0.00 178.44 178.22 3hw4 h GLU 133 N 0.98 0.02 -0.66 1.13 5.08 -0.63 -1.84 114.58 118.66 3hw4 h GLU 133 Ca 0.26 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3hw4 h GLU 133 Cb -0.08 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3hw4 h GLU 133 CO -0.05 0.09 0.32 -0.22 -1.00 0.00 0.00 179.01 178.15 3hw4 h LYS 134 N -0.05 0.95 -0.85 2.33 1.63 -0.99 -1.72 116.57 117.88 3hw4 h LYS 134 Ca 0.01 -0.14 -0.01 0.00 -0.85 0.00 0.00 60.65 59.66 3hw4 h LYS 134 Cb 0.07 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.49 3hw4 h LYS 134 CO -0.00 0.75 0.48 0.00 -3.45 0.00 0.00 179.45 177.23 3hw4 h ALA 135 N 1.15 1.24 0.00 5.00 0.00 -1.00 -1.80 119.26 123.85 3hw4 h ALA 135 Ca 0.23 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3hw4 h ALA 135 Cb 0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3hw4 h ALA 135 CO -0.03 0.63 -0.49 -0.97 0.00 0.00 0.00 179.25 178.38 3hw4 h ASN 136 N 1.19 0.00 -0.01 0.00 -1.24 -1.07 -1.81 115.58 112.64 3hw4 h ASN 136 Ca 0.30 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.29 3hw4 h ASN 136 Cb 0.01 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.06 3hw4 h ASN 136 CO -0.05 0.49 -0.09 0.50 -1.29 0.00 0.00 177.43 176.99 3hw4 h LYS 137 N 0.00 0.08 0.00 6.67 3.64 -0.95 -3.38 116.57 122.63 3hw4 h LYS 137 Ca -0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3hw4 h LYS 137 Cb 1.08 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 3hw4 h LYS 137 CO 0.06 0.76 -0.46 -0.84 -2.27 0.00 0.00 179.45 176.70 3hw4 h ILE 138 N -0.56 0.00 -5.64 2.00 3.07 -1.33 -3.49 117.51 111.55 3hw4 h ILE 138 Ca -0.01 -0.79 0.00 0.00 1.55 0.00 0.00 64.86 65.61 3hw4 h ILE 138 Cb 0.78 1.53 0.00 0.00 -0.27 0.00 0.00 36.82 38.86 3hw4 h ILE 138 CO 0.02 0.00 -0.40 0.29 -1.05 0.00 0.00 178.15 177.01 3hw4 n LYS 139 N -2.59 -0.74 -3.04 0.16 5.02 -0.68 -4.64 118.16 111.63 3hw4 n LYS 139 Ca 0.03 0.92 -0.01 0.00 -2.02 0.00 0.00 58.31 57.23 3hw4 n LYS 139 Cb 0.50 -0.79 -0.00 0.00 -0.02 0.00 0.00 35.03 34.71 3hw4 n LYS 139 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3hw4 s SER 140 N -0.40 -1.43 0.18 4.39 1.04 -1.26 -4.94 113.70 111.28 3hw4 s SER 140 Ca 0.00 -1.03 0.23 0.00 0.48 0.00 0.00 55.95 55.63 3hw4 s SER 140 Cb 0.00 1.84 0.03 0.00 0.10 0.00 0.00 66.02 68.00 3hw4 s SER 140 CO 0.00 -0.12 1.06 -0.62 0.98 0.00 0.00 173.24 174.54 3hw4 n GLU 141 N 3.91 0.56 -0.07 4.02 -0.58 -1.26 -4.46 120.64 122.76 3hw4 n GLU 141 Ca 0.13 0.11 -0.08 0.00 -0.42 0.00 0.00 57.16 56.90 3hw4 n GLU 141 Cb 0.57 -1.80 -0.09 0.00 -0.57 0.00 0.00 31.44 29.56 3hw4 n GLU 141 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3hw4 n LYS 142 N -2.57 1.46 -2.32 3.49 4.76 -1.26 -4.97 118.16 116.75 3hw4 n LYS 142 Ca 0.00 0.03 -0.42 0.00 -2.87 0.00 0.00 58.31 55.05 3hw4 n LYS 142 Cb 0.53 -1.31 -0.03 0.00 -1.84 0.00 0.00 35.03 32.38 3hw4 n LYS 142 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3hw4 s THR 143 N -2.30 3.81 0.23 -0.18 2.01 -1.26 -4.67 115.64 113.27 3hw4 s THR 143 Ca -0.11 1.26 -0.30 0.00 0.31 0.00 0.00 61.69 62.85 3hw4 s THR 143 Cb 0.04 -3.81 -0.09 0.00 0.01 0.00 0.00 72.50 68.66 3hw4 s THR 143 CO 0.45 0.06 1.00 -2.28 -0.69 0.00 0.00 174.62 173.16 3hw4 s HIS 144 N 1.50 3.82 -0.10 4.92 2.46 0.97 -4.89 115.29 123.97 3hw4 s HIS 144 Ca 0.61 1.81 0.01 0.00 0.47 0.00 0.00 55.06 57.96 3hw4 s HIS 144 Cb -0.31 -3.10 -0.02 0.00 -0.13 0.00 0.00 32.58 29.02 3hw4 s HIS 144 CO 0.28 0.06 -0.13 0.42 -2.47 0.00 0.00 174.74 172.90 3hw4 s ILE 145 N -0.92 3.11 -0.14 0.89 1.01 -1.26 -0.66 121.20 123.22 3hw4 s ILE 145 Ca 0.44 -0.67 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 3hw4 s ILE 145 Cb -0.28 -2.28 0.05 0.00 0.01 0.00 0.00 42.46 39.97 3hw4 s ILE 145 CO 0.34 0.55 0.03 -2.28 0.00 0.00 0.00 174.94 173.59 3hw4 s HIS 146 N -0.07 0.74 -0.15 3.97 2.46 -0.50 -0.28 115.29 121.46 3hw4 s HIS 146 Ca -0.02 -0.49 -0.04 0.00 0.47 0.00 0.00 55.06 54.98 3hw4 s HIS 146 Cb -0.14 -0.88 -0.03 0.00 -0.13 0.00 0.00 32.58 31.40 3hw4 s HIS 146 CO 0.04 -0.48 -0.01 0.42 -2.47 0.00 0.00 174.74 172.24 3hw4 s ILE 147 N 1.95 4.17 0.20 0.89 -1.09 0.67 -1.25 121.20 126.74 3hw4 s ILE 147 Ca 0.02 -0.26 0.08 0.00 -2.23 0.00 0.00 60.65 58.25 3hw4 s ILE 147 Cb -0.15 -2.83 -0.04 0.00 -1.58 0.00 0.00 42.46 37.86 3hw4 s ILE 147 CO -0.07 0.50 0.02 -0.36 -1.23 0.00 0.00 174.94 173.80 3hw4 s PHE 148 N 0.17 2.84 0.48 3.97 0.40 -0.03 -0.49 117.98 125.32 3hw4 s PHE 148 Ca 0.00 -0.15 0.03 0.00 -0.60 0.00 0.00 56.93 56.22 3hw4 s PHE 148 Cb -0.13 -1.34 -0.03 0.00 0.51 0.00 0.00 43.02 42.02 3hw4 s PHE 148 CO 0.02 0.54 0.04 -1.54 0.70 0.00 0.00 175.22 174.98 3hw4 s SER 149 N -3.17 4.12 0.00 1.36 1.04 -0.41 -1.39 113.70 115.25 3hw4 s SER 149 Ca 0.29 -1.52 0.22 0.00 0.48 0.00 0.00 55.95 55.42 3hw4 s SER 149 Cb -0.09 0.22 0.84 0.00 0.10 0.00 0.00 66.02 67.09 3hw4 s SER 149 CO 0.19 -0.75 1.60 0.49 0.98 0.00 0.00 173.24 175.76 3hw4 n PHE 150 N -1.22 0.16 -0.73 5.02 3.01 -1.21 -3.84 117.46 118.63 3hw4 n PHE 150 Ca -0.13 -0.08 0.07 0.00 1.01 0.00 0.00 57.45 58.32 3hw4 n PHE 150 Cb 0.67 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 40.24 3hw4 n PHE 150 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3hw4 n THR 151 N 0.20 1.63 -0.44 4.37 -2.24 -1.26 -4.19 114.28 112.34 3hw4 n THR 151 Ca 0.17 -1.85 0.00 0.00 -2.27 0.00 0.00 64.05 60.09 3hw4 n THR 151 Cb 0.31 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 3hw4 n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hw4 n GLY 152 N -1.07 1.11 3.80 3.38 0.00 -1.25 -5.04 105.19 106.13 3hw4 n GLY 152 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3hw4 n GLY 152 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hw4 s GLU 153 N -0.38 4.36 0.09 1.61 2.12 -1.26 -4.88 118.70 120.35 3hw4 s GLU 153 Ca 0.00 1.02 0.01 0.00 0.36 0.00 0.00 54.97 56.35 3hw4 s GLU 153 Cb 0.00 -2.85 -0.04 0.00 0.26 0.00 0.00 34.13 31.50 3hw4 s GLU 153 CO 0.00 0.35 -0.05 -1.83 -0.54 0.00 0.00 175.26 173.20 3hw4 s GLU 154 N -2.01 0.77 -0.09 4.30 -1.05 -1.26 -1.29 118.70 118.08 3hw4 s GLU 154 Ca 0.45 -1.31 -0.07 0.00 -0.15 0.00 0.00 54.97 53.89 3hw4 s GLU 154 Cb -0.17 -0.05 0.03 0.00 -0.44 0.00 0.00 34.13 33.49 3hw4 s GLU 154 CO 0.22 -0.06 0.23 1.41 0.95 0.00 0.00 175.26 178.00 3hw4 s MET 155 N -3.87 0.25 0.04 -4.83 1.75 0.35 -4.99 119.30 108.00 3hw4 s MET 155 Ca 0.11 0.36 0.01 0.00 -1.25 0.00 0.00 55.69 54.92 3hw4 s MET 155 Cb 0.06 0.07 -0.03 0.00 2.84 0.00 0.00 34.83 37.78 3hw4 s MET 155 CO -0.06 -0.06 -0.05 0.00 -0.65 0.00 0.00 175.02 174.20 3hw4 s ALA 156 N 0.38 0.37 0.07 4.11 0.00 -1.26 -0.24 121.76 125.18 3hw4 s ALA 156 Ca -0.02 -0.78 -0.36 0.00 0.00 0.00 0.00 51.96 50.80 3hw4 s ALA 156 Cb -0.04 0.14 -0.15 0.00 0.00 0.00 0.00 23.12 23.07 3hw4 s ALA 156 CO -0.02 -0.15 1.50 2.41 0.00 0.00 0.00 175.76 179.50 3hw4 n THR 157 N 1.25 0.07 -1.89 0.00 -1.04 0.62 -1.92 114.28 111.37 3hw4 n THR 157 Ca -0.21 -0.01 -0.19 0.00 -2.04 0.00 0.00 64.05 61.59 3hw4 n THR 157 Cb 0.56 -1.19 -0.05 0.00 -1.82 0.00 0.00 70.33 67.83 3hw4 n THR 157 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3hw4 n LYS 158 N 3.40 -1.57 -3.72 -2.82 5.02 -1.26 -1.27 118.16 115.95 3hw4 n LYS 158 Ca 0.19 1.04 -0.28 0.00 -2.02 0.00 0.00 58.31 57.24 3hw4 n LYS 158 Cb 0.23 -5.51 0.01 0.00 -0.02 0.00 0.00 35.03 29.73 3hw4 n LYS 158 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hw4 n ALA 159 N -0.10 -1.18 -3.75 7.82 0.00 -0.81 -4.95 120.51 117.54 3hw4 n ALA 159 Ca -0.20 0.14 -0.34 0.00 0.00 0.00 0.00 53.44 53.03 3hw4 n ALA 159 Cb 0.64 -3.74 -0.14 0.00 0.00 0.00 0.00 19.45 16.20 3hw4 n ALA 159 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hw4 s ASP 160 N -3.06 4.17 0.00 0.00 2.15 -0.39 -4.99 116.67 114.54 3hw4 s ASP 160 Ca 0.57 -0.79 0.19 0.00 0.43 0.00 0.00 52.55 52.95 3hw4 s ASP 160 Cb -0.29 -1.65 0.18 0.00 -0.30 0.00 0.00 42.92 40.86 3hw4 s ASP 160 CO 0.70 -0.10 1.12 -1.22 -0.17 0.00 0.00 175.17 175.50 3hw4 n TYR 161 N 4.68 0.07 0.00 -5.34 4.02 -1.26 -4.38 117.16 114.94 3hw4 n TYR 161 Ca -0.17 -0.04 0.00 0.00 -0.01 0.00 0.00 57.90 57.67 3hw4 n TYR 161 Cb 0.48 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 3hw4 n TYR 161 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3hw4 n THR 162 N 1.06 0.00 -3.63 -0.72 -1.04 -1.26 -4.80 114.28 103.89 3hw4 n THR 162 Ca 0.12 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.84 3hw4 n THR 162 Cb 0.47 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.95 3hw4 n THR 162 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hw4 s LEU 163 N 0.00 4.21 1.00 -4.42 1.43 -1.26 -5.09 118.68 114.55 3hw4 s LEU 163 Ca 0.00 0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 53.49 3hw4 s LEU 163 Cb 0.00 -3.27 0.19 0.00 0.03 0.00 0.00 46.19 43.15 3hw4 s LEU 163 CO 0.00 -0.04 1.08 1.51 0.23 0.00 0.00 176.35 179.13 3hw4 s ASP 164 N -2.95 2.36 0.39 2.29 3.84 -1.26 -4.84 116.67 116.51 3hw4 s ASP 164 Ca 0.40 1.69 0.13 0.00 -0.00 0.00 0.00 52.55 54.77 3hw4 s ASP 164 Cb -0.11 -2.33 0.80 0.00 -1.38 0.00 0.00 42.92 39.91 3hw4 s ASP 164 CO 0.28 -3.37 1.87 -0.33 -0.00 0.00 0.00 175.17 173.62 3hw4 h GLU 165 N -2.05 0.00 -0.09 2.11 4.39 -1.98 -2.31 114.58 114.65 3hw4 h GLU 165 Ca -0.52 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 58.98 3hw4 h GLU 165 Cb 1.30 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.96 3hw4 h GLU 165 CO 0.49 0.32 -0.69 0.93 -1.16 0.00 0.00 179.01 178.90 3hw4 h GLU 166 N 0.00 0.62 -0.67 2.33 5.08 -1.99 -1.08 114.58 118.87 3hw4 h GLU 166 Ca -0.00 -0.55 -0.07 0.00 -1.00 0.00 0.00 59.36 57.74 3hw4 h GLU 166 Cb 0.57 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 3hw4 h GLU 166 CO 0.04 1.17 0.16 1.03 -1.00 0.00 0.00 179.01 180.41 3hw4 h SER 167 N 0.26 1.00 -0.53 1.42 0.87 -1.87 -2.61 113.55 112.10 3hw4 h SER 167 Ca -0.06 -0.21 -0.11 0.00 -1.23 0.00 0.00 61.79 60.18 3hw4 h SER 167 Cb 1.35 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 63.02 3hw4 h SER 167 CO 0.14 0.97 -0.09 0.03 -0.53 0.00 0.00 176.83 177.35 3hw4 h ARG 168 N 1.01 1.02 -0.45 2.24 3.08 -1.36 -2.92 114.38 117.00 3hw4 h ARG 168 Ca 0.21 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.90 3hw4 h ARG 168 Cb 0.36 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3hw4 h ARG 168 CO 0.00 1.05 0.29 0.00 -1.07 0.00 0.00 179.97 180.24 3hw4 h ALA 169 N 0.97 1.66 -0.54 0.04 0.00 -0.99 0.88 119.26 121.29 3hw4 h ALA 169 Ca 0.15 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3hw4 h ALA 169 Cb 0.65 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3hw4 h ALA 169 CO 0.04 0.31 -0.02 0.00 0.00 0.00 0.00 179.25 179.58 3hw4 h ARG 170 N 0.61 0.96 -0.03 0.00 3.08 -1.29 -0.46 114.38 117.24 3hw4 h ARG 170 Ca 0.16 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 3hw4 h ARG 170 Cb -0.06 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 3hw4 h ARG 170 CO -0.03 0.98 0.01 0.82 -1.07 0.00 0.00 179.97 180.67 3hw4 h ILE 171 N 0.83 1.21 -0.40 2.04 2.04 -1.30 -2.19 117.51 119.73 3hw4 h ILE 171 Ca 0.15 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.41 3hw4 h ILE 171 Cb 0.56 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 3hw4 h ILE 171 CO 0.03 0.17 0.27 0.11 0.00 0.00 0.00 178.15 178.73 3hw4 h LYS 172 N -0.20 0.46 0.00 2.37 1.57 -0.77 -1.25 116.57 118.76 3hw4 h LYS 172 Ca 0.01 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 3hw4 h LYS 172 Cb 0.26 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3hw4 h LYS 172 CO 0.00 0.31 -0.61 0.00 -0.57 0.00 0.00 179.45 178.58 3hw4 h THR 173 N 0.48 0.99 -0.36 -0.16 1.03 -1.05 0.08 112.91 113.91 3hw4 h THR 173 Ca 0.16 -2.40 -0.11 0.00 -0.01 0.00 0.00 66.41 64.04 3hw4 h THR 173 Cb 0.05 2.48 -0.01 0.00 -1.07 0.00 0.00 68.15 69.60 3hw4 h THR 173 CO -0.04 0.56 -0.21 -0.09 -0.01 0.00 0.00 175.52 175.73 3hw4 h ARG 174 N 0.00 0.78 -0.28 0.00 9.65 -0.70 -1.89 114.38 121.95 3hw4 h ARG 174 Ca -0.01 -0.36 -0.15 0.00 -1.10 0.00 0.00 59.98 58.37 3hw4 h ARG 174 Cb 1.45 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 30.01 3hw4 h ARG 174 CO 0.07 0.98 -0.42 -0.07 2.80 0.00 0.00 179.97 183.34 3hw4 h LEU 175 N 0.57 0.73 -0.51 3.80 3.38 -1.07 -0.92 115.31 121.29 3hw4 h LEU 175 Ca 0.08 -0.34 0.07 0.00 0.09 0.00 0.00 57.88 57.78 3hw4 h LEU 175 Cb 0.77 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 3hw4 h LEU 175 CO 0.06 1.05 0.19 -0.26 0.09 0.00 0.00 178.44 179.58 3hw4 h PHE 176 N 0.56 0.34 -0.28 1.13 -1.00 -0.95 -1.37 116.94 115.37 3hw4 h PHE 176 Ca 0.04 0.02 -0.08 0.00 2.81 0.00 0.00 57.97 60.77 3hw4 h PHE 176 Cb 0.95 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 40.43 3hw4 h PHE 176 CO 0.05 0.12 -0.12 1.15 -1.61 0.00 0.00 178.31 177.90 3hw4 h THR 177 N 0.38 1.29 -0.48 -1.55 2.02 -0.77 -1.37 112.91 112.43 3hw4 h THR 177 Ca 0.24 -1.19 0.04 0.00 0.77 0.00 0.00 66.41 66.27 3hw4 h THR 177 Cb 0.25 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 3hw4 h THR 177 CO -0.24 0.38 0.25 0.40 0.37 0.00 0.00 175.52 176.68 3hw4 h ILE 178 N 0.33 0.97 -0.62 3.11 2.04 -1.07 0.57 117.51 122.84 3hw4 h ILE 178 Ca 0.07 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 3hw4 h ILE 178 Cb 0.62 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 3hw4 h ILE 178 CO 0.04 0.09 0.22 -0.09 0.00 0.00 0.00 178.15 178.40 3hw4 h ARG 179 N 0.49 0.95 -0.40 2.37 1.12 -0.97 -0.80 114.38 117.15 3hw4 h ARG 179 Ca 0.21 -0.19 -0.12 0.00 -1.11 0.00 0.00 59.98 58.77 3hw4 h ARG 179 Cb 0.10 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 29.91 3hw4 h ARG 179 CO -0.14 0.83 -0.22 1.96 -3.11 0.00 0.00 179.97 179.28 3hw4 h GLN 180 N 0.88 0.81 -0.78 0.20 4.20 -0.95 -0.06 115.11 119.40 3hw4 h GLN 180 Ca 0.20 -0.33 -0.05 0.00 0.06 0.00 0.00 58.65 58.54 3hw4 h GLN 180 Cb 0.26 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 3hw4 h GLN 180 CO -0.01 0.95 0.31 0.93 -0.67 0.00 0.00 178.83 180.34 3hw4 h GLU 181 N 0.70 1.18 -0.45 1.46 4.39 -0.57 0.20 114.58 121.49 3hw4 h GLU 181 Ca 0.10 -0.22 -0.14 0.00 0.34 0.00 0.00 59.36 59.44 3hw4 h GLU 181 Cb 0.74 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 3hw4 h GLU 181 CO 0.06 0.96 -0.27 0.52 -1.16 0.00 0.00 179.01 179.12 3hw4 h MET 182 N 1.14 0.97 -0.92 2.33 2.86 -0.98 -2.71 114.93 117.62 3hw4 h MET 182 Ca 0.26 -0.44 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 3hw4 h MET 182 Cb 0.22 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 3hw4 h MET 182 CO -0.02 1.11 0.57 0.00 1.06 0.00 0.00 176.91 179.63 3hw4 h ALA 183 N 0.86 1.27 0.00 6.32 0.00 -0.78 -0.51 119.26 126.41 3hw4 h ALA 183 Ca 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3hw4 h ALA 183 Cb 0.85 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3hw4 h ALA 183 CO 0.08 0.64 -0.08 0.66 0.00 0.00 0.00 179.25 180.55 3hw4 h SER 184 N 1.26 0.00 -0.03 0.00 4.64 -0.75 -2.58 113.55 116.10 3hw4 h SER 184 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3hw4 h SER 184 Cb -0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3hw4 h SER 184 CO -0.06 0.08 -0.03 0.54 -0.87 0.00 0.00 176.83 176.48 3hw4 n ARG 185 N -3.39 1.95 -1.01 4.77 1.74 -0.54 -4.96 116.66 115.23 3hw4 n ARG 185 Ca -0.01 -1.72 -0.00 0.00 -0.77 0.00 0.00 57.85 55.34 3hw4 n ARG 185 Cb 0.23 -1.41 -0.00 0.00 -1.02 0.00 0.00 32.46 30.26 3hw4 n ARG 185 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hw4 n GLY 186 N 1.22 0.45 0.09 -0.13 0.00 -0.64 -4.50 105.19 101.68 3hw4 n GLY 186 Ca 0.12 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 3hw4 n GLY 186 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hw4 n LEU 187 N -0.02 0.79 -0.21 0.99 4.32 -0.31 -4.46 117.00 118.09 3hw4 n LEU 187 Ca -0.00 0.36 -0.03 0.00 -0.02 0.00 0.00 56.01 56.32 3hw4 n LEU 187 Cb 0.07 0.15 0.08 0.00 -1.62 0.00 0.00 43.42 42.09 3hw4 n LEU 187 CO 0.00 0.28 1.07 -0.25 -1.22 0.00 0.00 177.39 177.27 3hw4 h TRP 188 N 0.00 0.63 -0.28 -1.77 2.91 -1.83 -2.42 115.95 113.19 3hw4 h TRP 188 Ca -0.24 0.02 0.06 0.00 1.13 0.00 0.00 58.89 59.86 3hw4 h TRP 188 Cb 1.81 -0.19 -0.08 0.00 -0.51 0.00 0.00 29.16 30.19 3hw4 h TRP 188 CO 0.00 0.32 -0.40 -0.44 -1.03 0.00 0.00 178.44 176.89 3hw4 h ASP 189 N 0.65 -1.28 -0.26 2.65 3.45 -1.90 0.22 116.42 119.96 3hw4 h ASP 189 Ca 0.27 0.19 -0.13 0.00 0.43 0.00 0.00 57.03 57.78 3hw4 h ASP 189 Cb 0.13 0.55 -0.00 0.00 -0.56 0.00 0.00 39.33 39.45 3hw4 h ASP 189 CO -0.16 -0.38 -0.35 -1.28 -1.57 0.00 0.00 179.24 175.50 3hw4 h SER 190 N -0.38 0.75 -0.35 6.45 0.87 -1.82 -1.52 113.55 117.55 3hw4 h SER 190 Ca 0.12 -0.51 0.07 0.00 -1.23 0.00 0.00 61.79 60.24 3hw4 h SER 190 Cb 0.59 -0.21 -0.07 0.00 -0.44 0.00 0.00 62.40 62.26 3hw4 h SER 190 CO -0.48 1.11 -0.11 0.15 -0.53 0.00 0.00 176.83 176.98 3hw4 h PHE 191 N 0.42 -0.23 0.49 2.24 3.57 -1.21 -0.14 116.94 122.07 3hw4 h PHE 191 Ca 0.03 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 3hw4 h PHE 191 Cb 0.94 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 3hw4 h PHE 191 CO 0.08 -0.17 -0.30 -0.09 -2.23 0.00 0.00 178.31 175.59 3hw4 h ARG 192 N -0.03 -0.73 -0.39 1.11 2.43 -0.47 -3.00 114.38 113.32 3hw4 h ARG 192 Ca 0.17 0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.50 3hw4 h ARG 192 Cb 0.29 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 3hw4 h ARG 192 CO -0.38 -0.49 0.33 1.96 -1.51 0.00 0.00 179.97 179.89 3hw4 h GLN 193 N -0.76 0.00 0.00 0.20 4.20 -0.96 -2.81 115.11 114.99 3hw4 h GLN 193 Ca -0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3hw4 h GLN 193 Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 3hw4 h GLN 193 CO 0.06 0.00 0.00 -1.13 -0.67 0.00 0.00 178.83 177.09 3hw4 n SER 194 N -4.07 0.02 -4.70 1.46 3.41 -0.09 -4.88 113.62 104.76 3hw4 n SER 194 Ca 0.06 0.50 -0.42 0.00 -0.26 0.00 0.00 58.87 58.76 3hw4 n SER 194 Cb 0.51 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3hw4 n SER 194 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3hw4 s GLU 195 N -3.01 4.27 0.68 4.33 2.12 -1.06 -5.00 118.70 121.03 3hw4 s GLU 195 Ca 0.11 2.12 0.05 0.00 0.36 0.00 0.00 54.97 57.60 3hw4 s GLU 195 Cb 0.15 -3.41 0.12 0.00 0.26 0.00 0.00 34.13 31.25 3hw4 s GLU 195 CO 0.41 -0.55 0.93 1.03 -0.54 0.00 0.00 175.26 176.54 3hw4 s ARG 196 N 1.80 1.85 0.00 4.30 0.52 -1.26 -5.08 118.95 121.08 3hw4 s ARG 196 Ca 0.67 -1.46 0.13 0.00 -0.52 0.00 0.00 55.73 54.54 3hw4 s ARG 196 Cb -0.36 -2.47 0.10 0.00 0.52 0.00 0.00 34.95 32.74 3hw4 s ARG 196 CO 0.30 -1.28 0.90 0.41 0.02 0.00 0.00 175.30 175.65