#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fws n LYS 65 N 0.00 1.61 -4.46 1.61 5.02 -1.26 -4.64 118.16 116.05 3fws n LYS 65 Ca 0.00 -0.68 -0.23 0.00 -2.02 0.00 0.00 58.31 55.38 3fws n LYS 65 Cb 0.00 -1.30 -0.10 0.00 -0.02 0.00 0.00 35.03 33.61 3fws n LYS 65 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3fws s THR 66 N -2.09 1.97 0.31 -0.18 -4.23 -1.26 -5.00 115.64 105.15 3fws s THR 66 Ca 0.13 -2.21 0.01 0.00 -1.18 0.00 0.00 61.69 58.44 3fws s THR 66 Cb 0.13 -2.42 0.28 0.00 1.34 0.00 0.00 72.50 71.84 3fws s THR 66 CO 0.48 -0.33 1.91 1.23 -0.54 0.00 0.00 174.62 177.36 3fws h GLY 67 N 2.25 1.32 1.62 3.99 0.00 -1.99 -0.52 103.07 109.73 3fws h GLY 67 Ca -0.40 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 46.44 3fws h GLY 67 CO 0.66 0.28 -0.19 -0.91 0.00 0.00 0.00 176.54 176.37 3fws h THR 68 N 1.00 1.25 -0.27 4.70 1.35 -1.99 0.58 112.91 119.52 3fws h THR 68 Ca 0.40 -1.13 -0.12 0.00 -0.55 0.00 0.00 66.41 65.00 3fws h THR 68 Cb 0.25 1.27 -0.00 0.00 -1.73 0.00 0.00 68.15 67.93 3fws h THR 68 CO -0.15 0.36 -0.29 1.56 -0.25 0.00 0.00 175.52 176.74 3fws h GLN 69 N 0.41 0.68 -0.35 4.72 4.20 -1.63 0.19 115.11 123.33 3fws h GLN 69 Ca 0.07 -0.37 0.05 0.00 0.06 0.00 0.00 58.65 58.46 3fws h GLN 69 Cb 0.57 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.32 3fws h GLN 69 CO 0.04 0.98 0.06 -0.07 -0.67 0.00 0.00 178.83 179.17 3fws h LEU 70 N 0.41 -0.01 -0.46 1.46 3.38 -1.04 0.68 115.31 119.74 3fws h LEU 70 Ca 0.04 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.14 3fws h LEU 70 Cb 0.86 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.61 3fws h LEU 70 CO 0.07 0.03 -0.48 0.25 0.09 0.00 0.00 178.44 178.40 3fws h LEU 71 N 0.18 -1.62 -0.70 1.67 5.85 -0.73 -1.28 115.31 118.69 3fws h LEU 71 Ca 0.17 0.24 0.15 0.00 0.84 0.00 0.00 57.88 59.27 3fws h LEU 71 Cb 0.19 0.70 -0.12 0.00 0.37 0.00 0.00 40.66 41.80 3fws h LEU 71 CO -0.23 -0.37 0.01 0.00 -0.34 0.00 0.00 178.44 177.51 3fws h ALA 72 N 0.29 0.71 -0.55 1.25 0.00 -0.56 -1.02 119.26 119.38 3fws h ALA 72 Ca 0.12 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3fws h ALA 72 Cb 0.58 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3fws h ALA 72 CO -0.62 -0.41 0.34 -0.44 0.00 0.00 0.00 179.25 178.13 3fws h ASP 73 N 0.11 0.65 -0.03 0.00 3.45 -0.18 0.73 116.42 121.15 3fws h ASP 73 Ca 0.37 -0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.79 3fws h ASP 73 Cb 0.63 -0.16 -0.00 0.00 -0.56 0.00 0.00 39.33 39.24 3fws h ASP 73 CO -0.60 0.50 0.01 0.11 -1.57 0.00 0.00 179.24 177.68 3fws h LYS 74 N 0.74 0.06 -0.78 3.56 6.56 -0.86 -2.95 116.57 122.90 3fws h LYS 74 Ca 0.20 -0.01 0.13 0.00 -1.06 0.00 0.00 60.65 59.91 3fws h LYS 74 Cb -0.04 -0.01 -0.09 0.00 -0.57 0.00 0.00 32.23 31.52 3fws h LYS 74 CO -0.04 0.27 0.36 -0.07 -2.06 0.00 0.00 179.45 177.91 3fws h LEU 75 N -0.17 0.41 -0.84 2.94 3.38 -0.70 -1.43 115.31 118.89 3fws h LEU 75 Ca 0.01 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3fws h LEU 75 Cb 0.24 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3fws h LEU 75 CO 0.00 0.18 0.00 0.29 0.09 0.00 0.00 178.44 179.00 3fws n LYS 76 N -4.92 0.15 0.00 1.13 5.02 0.21 -2.50 118.16 117.25 3fws n LYS 76 Ca 0.14 0.48 0.10 0.00 -2.02 0.00 0.00 58.31 57.02 3fws n LYS 76 Cb 0.39 -1.85 -0.01 0.00 -0.02 0.00 0.00 35.03 33.53 3fws n LYS 76 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3fws n LYS 77 N -2.16 1.27 -1.82 1.97 4.76 -0.55 -4.86 118.16 116.78 3fws n LYS 77 Ca 0.01 -0.86 -0.41 0.00 -2.87 0.00 0.00 58.31 54.18 3fws n LYS 77 Cb 0.15 -1.42 -0.01 0.00 -1.84 0.00 0.00 35.03 31.91 3fws n LYS 77 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3fws s LEU 78 N -2.41 4.34 0.07 -0.35 1.43 -1.04 -4.93 118.68 115.79 3fws s LEU 78 Ca 0.16 2.96 0.08 0.00 -1.03 0.00 0.00 54.13 56.30 3fws s LEU 78 Cb 0.16 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 3fws s LEU 78 CO 0.55 -0.86 -0.20 -1.10 0.23 0.00 0.00 176.35 174.97 3fws s GLN 79 N -1.21 1.91 0.31 1.70 -0.21 -1.26 -0.81 119.66 120.09 3fws s GLN 79 Ca 0.58 -1.08 0.08 0.00 0.02 0.00 0.00 55.36 54.96 3fws s GLN 79 Cb -0.46 -2.12 0.87 0.00 1.00 0.00 0.00 33.01 32.29 3fws s GLN 79 CO 0.54 0.51 1.69 0.28 -2.12 0.00 0.00 175.29 176.19 3fws h VAL 80 N 3.88 0.42 -0.62 1.09 2.07 -1.13 0.00 116.25 121.96 3fws h VAL 80 Ca -0.48 -0.14 0.17 0.00 0.82 0.00 0.00 66.70 67.07 3fws h VAL 80 Cb 1.16 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3fws h VAL 80 CO 0.46 0.07 0.44 0.07 0.02 0.00 0.00 177.57 178.63 3fws h LYS 81 N 0.40 0.04 -0.00 1.57 2.10 -0.95 0.58 116.57 120.30 3fws h LYS 81 Ca 0.63 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.28 3fws h LYS 81 Cb 1.29 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 3fws h LYS 81 CO -0.56 0.03 -0.45 -0.25 -2.00 0.00 0.00 179.45 176.22 3fws n ASP 82 N -4.37 0.56 -2.22 7.07 8.00 -0.02 -4.42 116.55 121.16 3fws n ASP 82 Ca 0.12 -0.33 -0.02 0.00 0.71 0.00 0.00 54.79 55.27 3fws n ASP 82 Cb 0.66 0.21 0.05 0.00 -0.02 0.00 0.00 41.12 42.02 3fws n ASP 82 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3fws n PHE 83 N -1.37 1.03 -3.74 1.24 3.01 0.14 -5.06 117.46 112.71 3fws n PHE 83 Ca 0.07 -1.66 -0.22 0.00 1.01 0.00 0.00 57.45 56.65 3fws n PHE 83 Cb 0.34 -0.22 -0.04 0.00 -0.01 0.00 0.00 39.48 39.54 3fws n PHE 83 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 3fws s GLN 84 N -2.71 2.49 0.41 -1.08 -2.07 -0.88 -4.86 119.66 110.96 3fws s GLN 84 Ca 0.33 -1.55 0.07 0.00 -1.82 0.00 0.00 55.36 52.39 3fws s GLN 84 Cb 0.35 -2.31 -0.06 0.00 -1.09 0.00 0.00 33.01 29.91 3fws s GLN 84 CO -0.07 -0.11 0.15 -1.12 -1.32 0.00 0.00 175.29 172.82 3fws s SER 85 N -4.05 4.32 0.36 12.60 0.01 0.43 -4.92 113.70 122.45 3fws s SER 85 Ca 0.45 -1.13 -0.28 0.00 1.31 0.00 0.00 55.95 56.30 3fws s SER 85 Cb -0.02 -0.47 -0.11 0.00 0.21 0.00 0.00 66.02 65.63 3fws s SER 85 CO 0.26 -0.52 1.48 -0.51 0.41 0.00 0.00 173.24 174.37 3fws s ILE 86 N -2.62 2.12 0.32 1.44 1.10 -1.26 0.11 121.20 122.42 3fws s ILE 86 Ca 0.40 0.11 -0.11 0.00 -0.51 0.00 0.00 60.65 60.54 3fws s ILE 86 Cb 0.05 -3.07 -0.07 0.00 0.15 0.00 0.00 42.46 39.51 3fws s ILE 86 CO 0.22 0.03 0.68 -2.16 -2.11 0.00 0.00 174.94 171.59 3fws s PRO 87 N -1.84 3.84 -0.18 3.50 0.04 -1.26 -4.32 135.00 134.78 3fws s PRO 87 Ca 0.54 0.43 -0.00 0.00 0.04 0.00 0.00 61.00 62.01 3fws s PRO 87 Cb -0.46 -2.49 0.01 0.00 0.04 0.00 0.00 34.50 31.59 3fws s PRO 87 CO 0.60 0.14 -0.16 0.08 0.04 0.00 0.00 177.00 177.70 3fws s VAL 88 N -2.08 2.49 0.02 -0.36 1.01 -1.26 -4.97 120.40 115.24 3fws s VAL 88 Ca 0.50 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.74 3fws s VAL 88 Cb -0.10 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 3fws s VAL 88 CO 0.24 0.51 -0.20 -0.69 0.00 0.00 0.00 175.10 174.96 3fws s VAL 89 N 1.19 1.60 0.13 2.92 1.01 -1.26 -1.41 120.40 124.58 3fws s VAL 89 Ca 0.02 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.03 3fws s VAL 89 Cb -0.14 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3fws s VAL 89 CO -0.07 0.31 -0.12 0.27 0.00 0.00 0.00 175.10 175.49 3fws s ILE 90 N -0.64 1.21 0.42 2.22 -4.36 -0.19 -4.92 121.20 114.94 3fws s ILE 90 Ca 0.07 -1.84 -0.25 0.00 -0.26 0.00 0.00 60.65 58.38 3fws s ILE 90 Cb -0.08 -1.62 -0.08 0.00 1.25 0.00 0.00 42.46 41.93 3fws s ILE 90 CO 0.01 -0.56 1.17 -2.28 0.24 0.00 0.00 174.94 173.51 3fws s HIS 91 N -2.63 3.01 -0.34 1.37 5.65 -1.26 -1.28 115.29 119.81 3fws s HIS 91 Ca 0.11 1.54 0.24 0.00 0.25 0.00 0.00 55.06 57.21 3fws s HIS 91 Cb -0.02 -3.40 1.09 0.00 -1.18 0.00 0.00 32.58 29.07 3fws s HIS 91 CO 0.02 -1.38 1.72 1.05 -0.65 0.00 0.00 174.74 175.50 3fws h GLU 92 N 2.48 0.00 -0.01 2.88 4.11 -1.62 -2.19 114.58 120.23 3fws h GLU 92 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3fws h GLU 92 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3fws h GLU 92 CO 0.62 0.00 -0.10 0.09 0.07 0.00 0.00 179.01 179.69 3fws n ASN 93 N -2.31 1.17 -4.77 3.06 3.02 -1.26 -2.42 115.26 111.75 3fws n ASN 93 Ca 0.01 -1.18 -0.39 0.00 -0.03 0.00 0.00 54.58 52.99 3fws n ASN 93 Cb 0.17 0.04 -0.00 0.00 -0.61 0.00 0.00 39.78 39.38 3fws n ASN 93 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3fws s VAL 94 N -2.22 2.67 0.66 2.41 1.01 -0.83 -4.68 120.40 119.42 3fws s VAL 94 Ca 0.33 0.57 -0.14 0.00 0.00 0.00 0.00 61.98 62.74 3fws s VAL 94 Cb 0.20 -3.32 -0.00 0.00 0.00 0.00 0.00 36.38 33.26 3fws s VAL 94 CO 0.42 0.06 1.08 -0.94 0.00 0.00 0.00 175.10 175.71 3fws s SER 95 N -0.87 5.31 0.21 3.32 1.04 -1.26 -0.31 113.70 121.13 3fws s SER 95 Ca 0.59 1.82 -0.10 0.00 0.48 0.00 0.00 55.95 58.74 3fws s SER 95 Cb -0.36 -2.53 0.29 0.00 0.10 0.00 0.00 66.02 63.52 3fws s SER 95 CO 0.46 -1.49 1.69 0.58 0.98 0.00 0.00 173.24 175.46 3fws h VAL 96 N -0.17 0.59 -0.61 5.02 2.07 -0.53 -0.92 116.25 121.70 3fws h VAL 96 Ca -0.46 -0.07 0.12 0.00 0.82 0.00 0.00 66.70 67.12 3fws h VAL 96 Cb 1.23 0.37 -0.10 0.00 -1.52 0.00 0.00 31.29 31.27 3fws h VAL 96 CO 0.55 0.04 0.04 0.22 0.02 0.00 0.00 177.57 178.44 3fws h TYR 97 N 0.20 0.04 -0.84 1.57 3.20 -1.33 -0.94 116.97 118.86 3fws h TYR 97 Ca 0.31 0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.24 3fws h TYR 97 Cb 0.49 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.79 3fws h TYR 97 CO -0.29 -0.13 0.55 -0.44 -1.64 0.00 0.00 178.16 176.22 3fws h ASP 98 N 0.16 0.94 -0.56 -2.11 3.45 -1.64 0.55 116.42 117.21 3fws h ASP 98 Ca 0.32 -0.02 -0.05 0.00 0.43 0.00 0.00 57.03 57.71 3fws h ASP 98 Cb 0.51 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 39.03 3fws h ASP 98 CO -0.49 0.67 0.17 0.00 -1.57 0.00 0.00 179.24 178.02 3fws h ALA 99 N 1.33 1.17 -0.41 3.45 0.00 -0.88 -0.48 119.26 123.44 3fws h ALA 99 Ca 0.32 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 3fws h ALA 99 Cb -0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3fws h ALA 99 CO -0.09 0.57 -0.34 0.82 0.00 0.00 0.00 179.25 180.21 3fws h ILE 100 N 0.89 1.27 -0.43 0.00 2.04 -0.67 -1.28 117.51 119.33 3fws h ILE 100 Ca 0.20 -1.51 0.07 0.00 1.00 0.00 0.00 64.86 64.61 3fws h ILE 100 Cb 0.28 1.31 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 3fws h ILE 100 CO -0.01 0.51 0.09 0.00 0.00 0.00 0.00 178.15 178.75 3fws h THR 102 N 0.23 1.10 -0.76 0.00 2.02 -0.94 0.24 112.91 114.80 3fws h THR 102 Ca 0.21 -0.28 0.05 0.00 0.77 0.00 0.00 66.41 67.16 3fws h THR 102 Cb 0.26 0.23 -0.05 0.00 -1.74 0.00 0.00 68.15 66.84 3fws h THR 102 CO -0.27 0.15 0.46 0.24 0.37 0.00 0.00 175.52 176.47 3fws h MET 103 N 0.80 0.85 -0.27 6.66 2.07 -1.04 0.14 114.93 124.14 3fws h MET 103 Ca 0.25 -0.05 -0.13 0.00 -2.07 0.00 0.00 59.70 57.71 3fws h MET 103 Cb -0.01 -0.19 -0.00 0.00 -1.87 0.00 0.00 31.60 29.53 3fws h MET 103 CO -0.09 0.56 -0.32 0.74 1.07 0.00 0.00 176.91 178.87 3fws h PHE 104 N 0.88 0.85 -0.51 -0.22 0.04 -1.16 -1.44 116.94 115.38 3fws h PHE 104 Ca 0.32 -0.27 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 3fws h PHE 104 Cb 0.10 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 3fws h PHE 104 CO -0.04 1.02 0.15 1.25 -0.60 0.00 0.00 178.31 180.08 3fws h LEU 105 N 0.43 0.75 0.00 1.54 5.85 -0.44 -3.05 115.31 120.39 3fws h LEU 105 Ca 0.04 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3fws h LEU 105 Cb 0.90 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.74 3fws h LEU 105 CO 0.08 0.77 -0.67 -0.62 -0.34 0.00 0.00 178.44 177.66 3fws n GLU 106 N -4.48 0.08 -3.27 1.25 -0.58 0.44 -4.99 120.64 109.09 3fws n GLU 106 Ca 0.02 0.01 -0.16 0.00 -0.42 0.00 0.00 57.16 56.61 3fws n GLU 106 Cb 0.21 -1.54 0.08 0.00 -0.57 0.00 0.00 31.44 29.62 3fws n GLU 106 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3fws n ASP 107 N -1.65 -2.45 -4.47 1.62 4.64 -0.56 -5.04 116.55 108.65 3fws n ASP 107 Ca 0.04 -0.54 -0.23 0.00 -1.38 0.00 0.00 54.79 52.69 3fws n ASP 107 Cb 0.36 -4.54 -0.10 0.00 -1.04 0.00 0.00 41.12 35.80 3fws n ASP 107 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3fws s VAL 108 N -3.31 1.93 -1.11 5.18 -7.23 -1.14 -5.06 120.40 109.67 3fws s VAL 108 Ca 0.06 -2.19 0.14 0.00 -1.81 0.00 0.00 61.98 58.18 3fws s VAL 108 Cb -0.02 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 3fws s VAL 108 CO 0.64 -0.30 0.72 0.61 -0.31 0.00 0.00 175.10 176.46 3fws n GLY 109 N -0.65 -0.12 2.81 2.32 0.00 -1.26 -4.79 105.19 103.50 3fws n GLY 109 Ca -0.05 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 3fws n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fws s THR 110 N -1.82 0.05 -0.02 2.61 2.01 -1.26 -2.48 115.64 114.73 3fws s THR 110 Ca 0.10 0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.24 3fws s THR 110 Cb 0.11 -0.15 -0.03 0.00 0.01 0.00 0.00 72.50 72.44 3fws s THR 110 CO 0.39 0.10 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.62 3fws s LEU 111 N 0.85 3.29 -0.07 4.42 1.43 0.06 -4.82 118.68 123.84 3fws s LEU 111 Ca -0.08 -0.06 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 3fws s LEU 111 Cb -0.11 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 3fws s LEU 111 CO -0.02 0.30 0.05 -0.36 0.23 0.00 0.00 176.35 176.55 3fws s PHE 112 N -0.98 3.29 -0.15 0.29 0.08 -0.50 -0.85 117.98 119.16 3fws s PHE 112 Ca 0.17 0.28 -0.05 0.00 0.12 0.00 0.00 56.93 57.44 3fws s PHE 112 Cb -0.11 -1.81 -0.03 0.00 -0.57 0.00 0.00 43.02 40.49 3fws s PHE 112 CO 0.07 0.55 0.01 0.08 -0.10 0.00 0.00 175.22 175.83 3fws s VAL 113 N -0.99 4.31 0.28 -0.44 1.01 0.99 -1.02 120.40 124.54 3fws s VAL 113 Ca 0.16 -0.21 0.10 0.00 0.00 0.00 0.00 61.98 62.03 3fws s VAL 113 Cb -0.12 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 3fws s VAL 113 CO 0.05 0.50 -0.16 0.68 0.00 0.00 0.00 175.10 176.18 3fws s VAL 114 N 0.17 2.20 0.00 2.92 -7.23 -0.40 -0.27 120.40 117.79 3fws s VAL 114 Ca 0.01 -2.30 0.00 0.00 -1.81 0.00 0.00 61.98 57.88 3fws s VAL 114 Cb -0.13 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.48 3fws s VAL 114 CO 0.02 -0.39 0.00 -0.90 -0.31 0.00 0.00 175.10 173.52 3fws n ASP 115 N -0.60 0.00 0.23 4.85 5.68 -0.42 -1.53 116.55 124.76 3fws n ASP 115 Ca -0.06 -0.75 0.15 0.00 -0.50 0.00 0.00 54.79 53.63 3fws n ASP 115 Cb 0.61 0.00 0.81 0.00 -1.14 0.00 0.00 41.12 41.40 3fws n ASP 115 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3fws h ARG 116 N 0.00 0.00 -0.66 0.11 3.08 -2.00 -0.43 114.38 114.47 3fws h ARG 116 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3fws h ARG 116 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3fws h ARG 116 CO 0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.65 3fws n ASP 117 N -3.99 4.47 -2.77 7.04 8.00 -1.26 -4.92 116.55 123.13 3fws n ASP 117 Ca 0.00 -2.31 -0.20 0.00 0.71 0.00 0.00 54.79 52.99 3fws n ASP 117 Cb 0.23 -0.54 0.04 0.00 -0.02 0.00 0.00 41.12 40.82 3fws n ASP 117 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fws n ALA 118 N 1.24 -0.90 -2.79 2.24 0.00 -0.17 -4.99 120.51 115.15 3fws n ALA 118 Ca 0.25 0.27 -0.35 0.00 0.00 0.00 0.00 53.44 53.61 3fws n ALA 118 Cb 0.80 -3.68 -0.09 0.00 0.00 0.00 0.00 19.45 16.48 3fws n ALA 118 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3fws s VAL 119 N -3.13 4.73 0.17 0.00 1.01 -1.26 -4.43 120.40 117.49 3fws s VAL 119 Ca 0.29 -0.07 -0.33 0.00 0.00 0.00 0.00 61.98 61.87 3fws s VAL 119 Cb -0.13 -3.06 -0.13 0.00 0.00 0.00 0.00 36.38 33.05 3fws s VAL 119 CO 0.36 0.54 1.63 -0.11 0.00 0.00 0.00 175.10 177.53 3fws n LEU 120 N 2.74 3.39 0.00 3.92 7.94 -0.15 -1.30 117.00 133.54 3fws n LEU 120 Ca -0.18 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 55.79 3fws n LEU 120 Cb 0.53 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 43.01 3fws n LEU 120 CO 0.32 -0.13 -0.30 1.33 -1.11 0.00 0.00 177.39 177.50 3fws n VAL 121 N 3.62 0.00 -3.78 1.96 0.24 0.63 -4.75 118.33 116.25 3fws n VAL 121 Ca 0.17 -0.09 -0.03 0.00 -2.04 0.00 0.00 64.34 62.35 3fws n VAL 121 Cb 0.31 0.53 -0.00 0.00 -1.47 0.00 0.00 33.84 33.20 3fws n VAL 121 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3fws s GLY 122 N -1.38 -0.13 0.10 7.63 0.00 -0.88 -2.02 107.32 110.64 3fws s GLY 122 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 44.72 44.75 3fws s GLY 122 CO 0.00 0.56 -0.10 -1.34 0.00 0.00 0.00 173.10 172.22 3fws s VAL 123 N -2.96 0.96 -0.05 1.40 -7.23 -0.34 -0.00 120.40 112.18 3fws s VAL 123 Ca 0.15 -1.63 0.03 0.00 -1.81 0.00 0.00 61.98 58.72 3fws s VAL 123 Cb -0.02 -1.35 0.01 0.00 0.56 0.00 0.00 36.38 35.58 3fws s VAL 123 CO 0.03 -0.54 -0.13 -0.76 -0.31 0.00 0.00 175.10 173.40 3fws s LEU 124 N -2.42 1.72 0.47 1.32 1.43 -0.03 -1.91 118.68 119.27 3fws s LEU 124 Ca 0.05 -0.29 0.07 0.00 -1.03 0.00 0.00 54.13 52.93 3fws s LEU 124 Cb -0.03 -0.80 -0.00 0.00 0.03 0.00 0.00 46.19 45.38 3fws s LEU 124 CO 0.00 0.06 0.35 -0.94 0.23 0.00 0.00 176.35 176.06 3fws s SER 125 N 0.46 4.73 0.19 2.29 1.04 -1.26 -0.76 113.70 120.39 3fws s SER 125 Ca -0.10 -1.04 -0.12 0.00 0.48 0.00 0.00 55.95 55.17 3fws s SER 125 Cb -0.14 -0.11 0.11 0.00 0.10 0.00 0.00 66.02 65.98 3fws s SER 125 CO 0.03 -0.83 1.84 0.03 0.98 0.00 0.00 173.24 175.28 3fws h ARG 126 N 0.99 0.88 -0.16 4.02 3.08 -1.87 -2.32 114.38 118.99 3fws h ARG 126 Ca -0.40 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.48 3fws h ARG 126 Cb 1.28 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 3fws h ARG 126 CO 0.60 0.62 -0.36 0.87 -1.07 0.00 0.00 179.97 180.63 3fws h LYS 127 N 0.88 0.33 -0.58 0.04 1.57 -1.95 -0.80 116.57 116.06 3fws h LYS 127 Ca 0.24 -0.15 0.08 0.00 -1.87 0.00 0.00 60.65 58.95 3fws h LYS 127 Cb -0.05 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.19 3fws h LYS 127 CO -0.05 0.65 0.23 -0.44 -0.57 0.00 0.00 179.45 179.27 3fws h ASP 128 N 0.29 0.25 0.21 0.86 3.32 -1.85 0.01 116.42 119.51 3fws h ASP 128 Ca 0.03 0.07 -0.19 0.00 0.02 0.00 0.00 57.03 56.96 3fws h ASP 128 Cb 0.77 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 3fws h ASP 128 CO 0.06 0.16 -0.74 -0.07 -1.72 0.00 0.00 179.24 176.93 3fws h LEU 129 N 0.42 0.54 -0.69 1.55 3.38 -1.25 -1.96 115.31 117.29 3fws h LEU 129 Ca 0.28 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 3fws h LEU 129 Cb 0.32 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3fws h LEU 129 CO -0.27 1.10 0.03 0.25 0.09 0.00 0.00 178.44 179.63 3fws h LEU 130 N 0.31 1.01 -0.57 1.67 5.85 -0.66 -0.97 115.31 121.94 3fws h LEU 130 Ca -0.03 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.35 3fws h LEU 130 Cb 1.32 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 3fws h LEU 130 CO 0.13 1.04 0.10 -0.09 -0.34 0.00 0.00 178.44 179.28 3fws h ARG 131 N 0.96 0.93 -0.48 1.25 2.43 -0.97 -2.39 114.38 116.11 3fws h ARG 131 Ca 0.18 -0.25 -0.12 0.00 -0.81 0.00 0.00 59.98 58.98 3fws h ARG 131 Cb 0.51 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3fws h ARG 131 CO 0.02 0.89 -0.18 0.00 -1.51 0.00 0.00 179.97 179.19 3fws h ALA 132 N 1.00 0.76 0.00 2.80 0.00 -1.05 -1.45 119.26 121.32 3fws h ALA 132 Ca 0.17 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3fws h ALA 132 Cb 0.40 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3fws h ALA 132 CO 0.01 0.66 -0.21 0.66 0.00 0.00 0.00 179.25 180.38 3fws h SER 133 N 0.83 0.00 -0.01 0.00 4.64 -0.86 -3.21 113.55 114.94 3fws h SER 133 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3fws h SER 133 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3fws h SER 133 CO 0.06 0.21 -0.09 2.30 -0.87 0.00 0.00 176.83 178.44 3fws n ILE 134 N -3.21 0.00 -1.21 0.95 -6.64 -0.93 -4.93 119.36 103.38 3fws n ILE 134 Ca 0.02 -0.46 -0.31 0.00 -1.77 0.00 0.00 62.75 60.24 3fws n ILE 134 Cb 0.53 1.18 0.11 0.00 -1.44 0.00 0.00 39.64 40.02 3fws n ILE 134 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 3fws s GLY 135 N -1.09 1.66 0.00 3.28 0.00 -0.55 -4.92 107.32 105.70 3fws s GLY 135 Ca 0.11 0.21 0.30 0.00 0.00 0.00 0.00 44.72 45.33 3fws s GLY 135 CO 0.18 0.59 1.99 0.61 0.00 0.00 0.00 173.10 176.48 3fws n GLN 136 N -3.65 0.30 -3.46 2.90 10.64 -1.26 -4.58 117.38 118.27 3fws n GLN 136 Ca 0.09 -0.02 -0.34 0.00 -1.83 0.00 0.00 57.00 54.90 3fws n GLN 136 Cb 0.53 -1.50 -0.05 0.00 -0.86 0.00 0.00 30.24 28.36 3fws n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 3fws s GLN 137 N -2.71 3.84 -0.59 2.61 -1.52 -1.26 -5.02 119.66 115.00 3fws s GLN 137 Ca 0.24 0.30 -0.27 0.00 -1.95 0.00 0.00 55.36 53.67 3fws s GLN 137 Cb 0.20 -2.87 -0.00 0.00 -0.22 0.00 0.00 33.01 30.11 3fws s GLN 137 CO 0.49 0.46 1.65 -2.00 -0.25 0.00 0.00 175.29 175.64 3fws s GLU 138 N -2.21 2.95 0.00 2.91 -6.30 -1.26 -4.78 118.70 110.00 3fws s GLU 138 Ca 0.39 0.51 0.08 0.00 -2.50 0.00 0.00 54.97 53.44 3fws s GLU 138 Cb -0.13 -4.27 0.04 0.00 0.00 0.00 0.00 34.13 29.76 3fws s GLU 138 CO 0.20 -2.37 0.67 1.28 0.02 0.00 0.00 175.26 175.06 3fws n LEU 139 N 11.21 1.42 0.21 2.70 4.77 -1.26 -4.63 117.00 131.42 3fws n LEU 139 Ca 0.16 -0.91 0.10 0.00 -0.03 0.00 0.00 56.01 55.34 3fws n LEU 139 Cb 0.50 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.90 3fws n LEU 139 CO 0.71 0.29 0.77 0.71 -1.33 0.00 0.00 177.39 178.53 3fws h THR 140 N 1.28 0.34 0.00 -5.08 1.35 -1.86 -2.93 112.91 106.00 3fws h THR 140 Ca 0.00 -1.22 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 3fws h THR 140 Cb 0.30 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 3fws h THR 140 CO 0.00 0.17 -0.44 -1.54 -0.25 0.00 0.00 175.52 173.46 3fws n SER 141 N -3.20 0.54 -4.84 5.36 3.41 -1.26 -0.94 113.62 112.69 3fws n SER 141 Ca 0.02 0.09 -0.32 0.00 -0.26 0.00 0.00 58.87 58.40 3fws n SER 141 Cb 0.51 0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 3fws n SER 141 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3fws s VAL 142 N -3.08 4.55 0.46 -3.33 -7.23 -1.11 -4.72 120.40 105.95 3fws s VAL 142 Ca 0.09 1.17 -0.25 0.00 -1.81 0.00 0.00 61.98 61.19 3fws s VAL 142 Cb 0.15 -3.72 -0.08 0.00 0.56 0.00 0.00 36.38 33.30 3fws s VAL 142 CO 0.68 -0.65 1.39 -2.65 -0.31 0.00 0.00 175.10 173.55 3fws n PRO 143 N -1.50 2.09 0.30 4.82 -0.02 -1.26 -0.18 135.00 139.25 3fws n PRO 143 Ca 0.06 0.75 0.19 0.00 -2.02 0.00 0.00 63.50 62.48 3fws n PRO 143 Cb 0.54 -2.57 1.00 0.00 -0.02 0.00 0.00 33.50 32.45 3fws n PRO 143 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3fws h VAL 144 N 2.10 0.15 0.00 -1.45 -1.51 -0.67 -2.29 116.25 112.58 3fws h VAL 144 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 3fws h VAL 144 Cb 1.28 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 3fws h VAL 144 CO 0.60 0.00 0.00 1.12 -1.23 0.00 0.00 177.57 178.06 3fws h HIS 145 N 0.00 0.00 -0.09 5.19 2.07 -1.77 0.11 115.15 120.66 3fws h HIS 145 Ca 0.02 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.34 3fws h HIS 145 Cb 0.30 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.28 3fws h HIS 145 CO 0.00 0.00 -0.76 0.82 -3.07 0.00 0.00 177.93 174.92 3fws h ILE 146 N 0.00 1.35 -0.01 6.12 1.08 -1.72 -3.34 117.51 120.99 3fws h ILE 146 Ca 0.00 -2.12 0.00 0.00 -0.39 0.00 0.00 64.86 62.35 3fws h ILE 146 Cb 0.30 2.11 0.00 0.00 -3.07 0.00 0.00 36.82 36.16 3fws h ILE 146 CO 0.00 0.65 -0.17 2.30 -0.69 0.00 0.00 178.15 180.24 3fws n ILE 147 N -3.85 0.00 -2.00 -0.67 -5.35 0.02 -5.03 119.36 102.48 3fws n ILE 147 Ca -0.05 -0.42 -0.32 0.00 -0.27 0.00 0.00 62.75 61.69 3fws n ILE 147 Cb 0.73 1.09 0.01 0.00 -1.74 0.00 0.00 39.64 39.73 3fws n ILE 147 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fws s MET 148 N -1.17 3.40 0.08 6.28 0.23 0.16 -4.98 119.30 123.31 3fws s MET 148 Ca 0.06 1.04 -0.31 0.00 -1.03 0.00 0.00 55.69 55.45 3fws s MET 148 Cb 0.06 -2.05 -0.07 0.00 -1.53 0.00 0.00 34.83 31.24 3fws s MET 148 CO 0.20 -0.73 1.33 0.99 -2.03 0.00 0.00 175.02 174.78 3fws s THR 149 N -2.71 3.60 0.11 3.16 2.01 -0.80 -4.88 115.64 116.13 3fws s THR 149 Ca 0.60 1.13 0.03 0.00 0.31 0.00 0.00 61.69 63.76 3fws s THR 149 Cb -0.14 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 3fws s THR 149 CO 0.42 0.07 0.15 -0.13 -0.69 0.00 0.00 174.62 174.44 3fws s ARG 150 N 1.33 3.08 0.79 4.92 1.81 -1.26 -1.19 118.95 128.42 3fws s ARG 150 Ca 0.63 -0.68 -0.14 0.00 -1.72 0.00 0.00 55.73 53.82 3fws s ARG 150 Cb -0.34 -2.80 0.07 0.00 -0.45 0.00 0.00 34.95 31.44 3fws s ARG 150 CO 0.29 0.54 1.21 -1.33 -0.68 0.00 0.00 175.30 175.34 3fws n MET 151 N 0.03 0.27 0.00 3.54 2.81 -0.86 -2.03 117.12 120.88 3fws n MET 151 Ca -0.08 0.17 0.15 0.00 -1.81 0.00 0.00 57.70 56.13 3fws n MET 151 Cb 0.53 -2.45 0.71 0.00 -0.71 0.00 0.00 33.22 31.30 3fws n MET 151 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 3fws n PRO 152 N -3.16 0.57 -0.95 0.03 -0.04 -1.26 -4.94 135.00 125.26 3fws n PRO 152 Ca 0.14 -0.10 -0.11 0.00 -0.04 0.00 0.00 63.50 63.39 3fws n PRO 152 Cb 0.50 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 3fws n PRO 152 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3fws n ASN 153 N -1.13 5.46 -4.54 3.54 4.13 -0.86 -4.82 115.26 117.04 3fws n ASN 153 Ca 0.15 -2.57 -0.34 0.00 1.68 0.00 0.00 54.58 53.50 3fws n ASN 153 Cb 0.25 -1.32 -0.12 0.00 -1.54 0.00 0.00 39.78 37.05 3fws n ASN 153 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3fws s ILE 154 N 0.28 3.78 -0.17 2.41 -1.09 -1.26 -4.81 121.20 120.33 3fws s ILE 154 Ca 0.51 -0.42 -0.24 0.00 -2.23 0.00 0.00 60.65 58.26 3fws s ILE 154 Cb 0.26 -2.60 -0.02 0.00 -1.58 0.00 0.00 42.46 38.52 3fws s ILE 154 CO -0.03 0.55 0.78 -0.89 -1.23 0.00 0.00 174.94 174.12 3fws s THR 155 N -0.21 4.92 0.40 2.92 2.01 -1.26 -5.06 115.64 119.37 3fws s THR 155 Ca 0.03 1.51 0.06 0.00 0.31 0.00 0.00 61.69 63.61 3fws s THR 155 Cb -0.13 -4.08 -0.08 0.00 0.01 0.00 0.00 72.50 68.22 3fws s THR 155 CO 0.03 0.06 0.02 0.68 -0.69 0.00 0.00 174.62 174.71 3fws s VAL 156 N 2.02 1.87 0.28 3.82 -7.23 -1.26 -4.21 120.40 115.69 3fws s VAL 156 Ca 0.36 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.56 3fws s VAL 156 Cb -0.16 -2.94 -0.04 0.00 0.56 0.00 0.00 36.38 33.80 3fws s VAL 156 CO 0.12 0.00 0.19 0.00 -0.31 0.00 0.00 175.10 175.11 3fws s ARG 158 N -3.78 1.64 0.37 0.00 0.52 -1.26 -1.10 118.95 115.34 3fws s ARG 158 Ca 0.38 -1.81 0.06 0.00 -0.52 0.00 0.00 55.73 53.84 3fws s ARG 158 Cb 0.05 -1.45 0.76 0.00 0.52 0.00 0.00 34.95 34.83 3fws s ARG 158 CO 0.20 0.14 1.98 0.00 0.02 0.00 0.00 175.30 177.63 3fws h ARG 159 N 2.22 0.70 -0.03 3.54 3.08 -1.95 -1.75 114.38 120.19 3fws h ARG 159 Ca -0.40 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3fws h ARG 159 Cb 1.24 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.13 3fws h ARG 159 CO 0.67 0.46 0.00 -0.85 -1.07 0.00 0.00 179.97 179.18 3fws n GLU 160 N -4.47 1.83 -1.48 0.04 0.00 -1.26 -0.33 120.64 114.96 3fws n GLU 160 Ca 0.09 -1.21 -0.35 0.00 0.00 0.00 0.00 57.16 55.69 3fws n GLU 160 Cb 0.20 -1.47 0.09 0.00 0.00 0.00 0.00 31.44 30.26 3fws n GLU 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3fws s ASP 161 N -1.98 4.20 -0.07 -1.84 -0.00 -0.66 -4.81 116.67 111.51 3fws s ASP 161 Ca 0.35 2.48 -0.28 0.00 -0.00 0.00 0.00 52.55 55.10 3fws s ASP 161 Cb 0.21 -2.60 -0.02 0.00 -0.00 0.00 0.00 42.92 40.50 3fws s ASP 161 CO 0.32 -2.26 0.93 -0.31 -0.00 0.00 0.00 175.17 173.85 3fws s TYR 162 N -1.76 3.56 0.30 4.23 2.02 -1.26 -1.29 117.35 123.15 3fws s TYR 162 Ca 0.78 1.54 0.04 0.00 -0.37 0.00 0.00 57.07 59.06 3fws s TYR 162 Cb -0.33 -3.09 0.79 0.00 -0.40 0.00 0.00 41.96 38.93 3fws s TYR 162 CO 0.44 -0.11 1.62 0.28 -1.57 0.00 0.00 175.55 176.20 3fws h VAL 163 N 4.96 0.19 0.00 0.71 2.07 -1.26 -1.90 116.25 121.02 3fws h VAL 163 Ca -0.35 -0.04 -0.09 0.00 0.82 0.00 0.00 66.70 67.04 3fws h VAL 163 Cb 1.18 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3fws h VAL 163 CO 0.80 0.02 -0.42 0.24 0.02 0.00 0.00 177.57 178.24 3fws h MET 164 N 0.12 0.00 -0.51 1.57 2.86 -1.80 -0.43 114.93 116.74 3fws h MET 164 Ca 0.60 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 58.18 3fws h MET 164 Cb 1.26 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.90 3fws h MET 164 CO -0.75 0.42 0.12 -0.44 1.06 0.00 0.00 176.91 177.31 3fws h ASP 165 N 0.00 0.78 -0.78 1.22 3.32 -1.74 -1.70 116.42 117.52 3fws h ASP 165 Ca -0.00 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 3fws h ASP 165 Cb 0.88 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 3fws h ASP 165 CO 0.05 0.81 0.41 0.40 -1.72 0.00 0.00 179.24 179.19 3fws h ILE 166 N 0.70 1.24 -0.75 0.35 5.03 -1.07 -2.59 117.51 120.43 3fws h ILE 166 Ca 0.16 -0.63 -0.04 0.00 -0.12 0.00 0.00 64.86 64.23 3fws h ILE 166 Cb 0.35 0.23 -0.03 0.00 -3.03 0.00 0.00 36.82 34.33 3fws h ILE 166 CO 0.00 0.27 0.31 0.00 -0.68 0.00 0.00 178.15 178.06 3fws h ALA 167 N 1.21 0.97 -0.64 1.87 0.00 -0.99 -0.90 119.26 120.77 3fws h ALA 167 Ca 0.27 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3fws h ALA 167 Cb 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3fws h ALA 167 CO -0.04 0.58 0.42 0.87 0.00 0.00 0.00 179.25 181.08 3fws h LYS 168 N 1.07 0.83 -0.85 0.00 1.57 -1.06 -2.22 116.57 115.90 3fws h LYS 168 Ca 0.25 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 3fws h LYS 168 Cb 0.19 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 3fws h LYS 168 CO -0.02 0.55 0.45 0.45 -0.57 0.00 0.00 179.45 180.31 3fws h HIS 169 N 0.85 1.18 -0.59 -1.35 3.86 -0.93 0.50 115.15 118.68 3fws h HIS 169 Ca 0.24 -0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.44 3fws h HIS 169 Cb -0.08 -0.37 -0.04 0.00 1.06 0.00 0.00 27.41 27.98 3fws h HIS 169 CO -0.03 0.83 0.36 -0.07 0.86 0.00 0.00 177.93 179.87 3fws h LEU 170 N 1.19 0.58 -0.10 2.43 3.38 -0.97 0.29 115.31 122.12 3fws h LEU 170 Ca 0.30 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.20 3fws h LEU 170 Cb 0.05 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3fws h LEU 170 CO -0.05 0.41 -0.22 0.40 0.09 0.00 0.00 178.44 179.07 3fws h ILE 171 N 0.71 1.40 -0.53 1.22 2.04 -1.16 -1.64 117.51 119.56 3fws h ILE 171 Ca 0.24 -1.53 -0.12 0.00 1.00 0.00 0.00 64.86 64.45 3fws h ILE 171 Cb 0.02 2.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 3fws h ILE 171 CO -0.10 0.44 -0.12 -0.33 0.00 0.00 0.00 178.15 178.04 3fws h GLU 172 N -0.14 1.00 -0.02 2.37 5.08 -0.65 -2.78 114.58 119.45 3fws h GLU 172 Ca -0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3fws h GLU 172 Cb 0.82 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3fws h GLU 172 CO 0.05 1.06 0.00 1.63 -1.00 0.00 0.00 179.01 180.74 3fws n LYS 173 N -4.14 1.80 -3.74 2.33 5.02 0.99 -4.96 118.16 115.47 3fws n LYS 173 Ca 0.01 -1.16 -0.25 0.00 -2.02 0.00 0.00 58.31 54.89 3fws n LYS 173 Cb 0.41 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.97 3fws n LYS 173 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3fws n GLN 174 N 0.41 -3.18 -4.27 1.97 6.02 -0.74 -5.01 117.38 112.57 3fws n GLN 174 Ca 0.18 0.53 -0.15 0.00 -0.01 0.00 0.00 57.00 57.55 3fws n GLN 174 Cb 0.40 -4.72 -0.10 0.00 1.02 0.00 0.00 30.24 26.85 3fws n GLN 174 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 3fws s ILE 175 N -3.67 1.18 -0.14 5.09 -4.36 -0.69 -5.05 121.20 113.56 3fws s ILE 175 Ca 0.17 -2.07 0.19 0.00 -0.26 0.00 0.00 60.65 58.69 3fws s ILE 175 Cb -0.06 -1.96 -0.16 0.00 1.25 0.00 0.00 42.46 41.53 3fws s ILE 175 CO 0.84 -0.65 0.70 0.47 0.24 0.00 0.00 174.94 176.55 3fws n ASP 176 N -0.25 0.61 -3.87 4.36 8.00 -1.26 -4.61 116.55 119.53 3fws n ASP 176 Ca -0.09 0.26 -0.11 0.00 0.71 0.00 0.00 54.79 55.56 3fws n ASP 176 Cb 0.61 0.61 -0.10 0.00 -0.02 0.00 0.00 41.12 42.23 3fws n ASP 176 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fws s ALA 177 N -3.03 -0.33 0.09 2.24 0.00 -1.26 -2.05 121.76 117.41 3fws s ALA 177 Ca -0.04 -0.16 0.09 0.00 0.00 0.00 0.00 51.96 51.86 3fws s ALA 177 Cb 0.09 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 3fws s ALA 177 CO 0.83 -0.23 -0.24 -0.51 0.00 0.00 0.00 175.76 175.60 3fws s LEU 178 N -1.48 2.25 0.36 0.00 1.43 -0.20 -4.98 118.68 116.06 3fws s LEU 178 Ca -0.13 -0.66 -0.25 0.00 -1.03 0.00 0.00 54.13 52.06 3fws s LEU 178 Cb -0.07 -1.12 -0.09 0.00 0.03 0.00 0.00 46.19 44.94 3fws s LEU 178 CO 0.01 0.17 1.00 -2.16 0.23 0.00 0.00 176.35 175.60 3fws s PRO 179 N -1.68 4.37 -0.17 1.29 0.04 -1.26 -1.59 135.00 136.00 3fws s PRO 179 Ca 0.11 1.44 -0.12 0.00 0.04 0.00 0.00 61.00 62.46 3fws s PRO 179 Cb -0.10 -2.67 -0.05 0.00 0.04 0.00 0.00 34.50 31.73 3fws s PRO 179 CO 0.04 0.06 0.22 0.08 0.04 0.00 0.00 177.00 177.44 3fws s VAL 180 N -1.64 5.35 0.31 -0.36 1.01 -0.44 -1.22 120.40 123.41 3fws s VAL 180 Ca 0.54 0.40 0.04 0.00 0.00 0.00 0.00 61.98 62.96 3fws s VAL 180 Cb -0.21 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 3fws s VAL 180 CO 0.26 0.43 0.05 0.27 0.00 0.00 0.00 175.10 176.11 3fws s ILE 181 N 0.28 1.15 0.00 2.22 -5.25 -0.26 -0.05 121.20 119.30 3fws s ILE 181 Ca 0.13 -2.01 0.04 0.00 -0.99 0.00 0.00 60.65 57.82 3fws s ILE 181 Cb -0.12 -2.71 -0.01 0.00 2.95 0.00 0.00 42.46 42.56 3fws s ILE 181 CO 0.02 -0.05 -0.12 -1.59 -1.79 0.00 0.00 174.94 171.41 3fws s LYS 182 N -3.89 0.90 0.19 0.37 -2.85 -0.52 -4.44 119.74 109.50 3fws s LYS 182 Ca 0.35 -0.49 -0.30 0.00 -1.00 0.00 0.00 55.97 54.53 3fws s LYS 182 Cb 0.08 -0.87 -0.08 0.00 -2.06 0.00 0.00 37.83 34.90 3fws s LYS 182 CO 0.14 0.23 0.98 -0.51 0.10 0.00 0.00 175.35 176.29 3fws s ASP 183 N -0.51 7.53 0.26 0.03 1.01 -1.26 -1.29 116.67 122.44 3fws s ASP 183 Ca 0.03 1.93 0.02 0.00 0.71 0.00 0.00 52.55 55.24 3fws s ASP 183 Cb -0.05 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.22 3fws s ASP 183 CO -0.00 0.01 0.07 0.42 0.21 0.00 0.00 175.17 175.88 3fws s THR 184 N -0.62 0.75 -0.26 -1.27 -4.23 -0.55 -4.92 115.64 104.54 3fws s THR 184 Ca 0.44 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.21 3fws s THR 184 Cb -0.26 -2.58 0.27 0.00 1.34 0.00 0.00 72.50 71.28 3fws s THR 184 CO 0.32 -0.09 1.78 0.44 -0.54 0.00 0.00 174.62 176.53 3fws h ASP 185 N 2.37 0.00 0.23 3.99 5.19 -2.03 -2.16 116.42 124.01 3fws h ASP 185 Ca -0.39 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 3fws h ASP 185 Cb 1.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.75 3fws h ASP 185 CO 0.63 0.00 -0.53 0.29 -3.12 0.00 0.00 179.24 176.51 3fws n LYS 186 N -2.42 0.44 0.00 3.56 5.02 -1.26 -5.08 118.16 118.42 3fws n LYS 186 Ca 0.01 -0.31 0.00 0.00 -2.02 0.00 0.00 58.31 55.99 3fws n LYS 186 Cb 0.18 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3fws n LYS 186 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fws n GLY 187 N 1.44 0.81 3.67 0.72 0.00 -0.81 -4.99 105.19 106.02 3fws n GLY 187 Ca 0.08 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 3fws n GLY 187 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fws s PHE 188 N -1.96 3.39 -0.06 1.61 0.08 -1.26 -1.48 117.98 118.30 3fws s PHE 188 Ca 0.00 0.88 -0.18 0.00 0.12 0.00 0.00 56.93 57.75 3fws s PHE 188 Cb 0.00 -2.74 -0.05 0.00 -0.57 0.00 0.00 43.02 39.66 3fws s PHE 188 CO 0.00 -0.12 0.50 -2.00 -0.10 0.00 0.00 175.22 173.51 3fws s GLU 189 N 1.69 4.26 -0.10 0.44 2.12 -0.41 -0.98 118.70 125.72 3fws s GLU 189 Ca 0.27 0.54 -0.28 0.00 0.36 0.00 0.00 54.97 55.85 3fws s GLU 189 Cb -0.16 -3.37 -0.02 0.00 0.26 0.00 0.00 34.13 30.85 3fws s GLU 189 CO 0.10 0.32 0.95 0.08 -0.54 0.00 0.00 175.26 176.18 3fws s VAL 190 N 0.05 4.83 0.00 3.70 1.01 -1.26 -1.44 120.40 127.29 3fws s VAL 190 Ca 0.27 1.94 0.00 0.00 0.00 0.00 0.00 61.98 64.19 3fws s VAL 190 Cb -0.16 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.95 3fws s VAL 190 CO 0.13 0.05 0.13 2.30 0.00 0.00 0.00 175.10 177.71 3fws n ILE 191 N 4.43 0.00 -3.97 2.22 -5.35 0.92 -4.97 119.36 112.64 3fws n ILE 191 Ca 0.07 -0.16 0.02 0.00 -0.27 0.00 0.00 62.75 62.41 3fws n ILE 191 Cb 0.49 1.56 0.01 0.00 -1.74 0.00 0.00 39.64 39.96 3fws n ILE 191 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3fws s GLY 192 N -0.06 -0.08 0.01 3.28 0.00 -0.96 -4.62 107.32 104.89 3fws s GLY 192 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 44.72 44.68 3fws s GLY 192 CO 0.00 5.12 -0.00 1.09 0.00 0.00 0.00 173.10 179.30 3fws s ARG 193 N -2.04 0.26 -0.05 2.90 1.70 0.12 -1.32 118.95 120.50 3fws s ARG 193 Ca 0.28 -0.44 0.03 0.00 -0.47 0.00 0.00 55.73 55.13 3fws s ARG 193 Cb -0.01 0.09 0.01 0.00 -0.57 0.00 0.00 34.95 34.47 3fws s ARG 193 CO 0.00 -0.04 -0.13 0.08 -1.08 0.00 0.00 175.30 174.13 3fws s VAL 194 N -1.10 1.18 0.34 4.99 1.01 -0.62 -0.43 120.40 125.77 3fws s VAL 194 Ca -0.12 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.38 3fws s VAL 194 Cb -0.07 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 3fws s VAL 194 CO -0.01 0.36 0.24 0.42 0.00 0.00 0.00 175.10 176.11 3fws s THR 195 N 0.39 0.11 0.35 3.92 -4.23 -1.26 -1.03 115.64 113.89 3fws s THR 195 Ca -0.10 -2.00 0.38 0.00 -1.18 0.00 0.00 61.69 58.80 3fws s THR 195 Cb -0.13 -2.47 0.41 0.00 1.34 0.00 0.00 72.50 71.65 3fws s THR 195 CO 0.03 0.00 2.16 0.11 -0.54 0.00 0.00 174.62 176.37 3fws h LYS 196 N 2.10 0.00 -0.42 3.99 1.57 -1.77 -2.55 116.57 119.48 3fws h LYS 196 Ca -0.28 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.41 3fws h LYS 196 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 3fws h LYS 196 CO 0.41 0.00 -0.11 1.15 -0.57 0.00 0.00 179.45 180.33 3fws h THR 197 N 0.00 1.27 -0.47 -0.16 2.02 -1.95 -1.11 112.91 112.52 3fws h THR 197 Ca 0.00 -1.22 0.06 0.00 0.77 0.00 0.00 66.41 66.02 3fws h THR 197 Cb 0.23 1.19 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 3fws h THR 197 CO 0.00 0.41 0.16 0.78 0.37 0.00 0.00 175.52 177.24 3fws h ASN 198 N 0.65 0.16 -0.71 4.18 4.21 -1.81 -1.53 115.58 120.72 3fws h ASN 198 Ca 0.11 0.06 -0.03 0.00 1.21 0.00 0.00 56.30 57.64 3fws h ASN 198 Cb 0.65 0.05 -0.03 0.00 -1.12 0.00 0.00 38.32 37.86 3fws h ASN 198 CO 0.04 0.12 0.33 0.24 -1.29 0.00 0.00 177.43 176.87 3fws h MET 199 N 0.33 1.03 -0.61 0.81 2.86 -1.32 -2.29 114.93 115.73 3fws h MET 199 Ca 0.22 -0.16 0.03 0.00 -2.06 0.00 0.00 59.70 57.74 3fws h MET 199 Cb 0.23 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.67 3fws h MET 199 CO -0.23 0.82 0.37 1.15 1.06 0.00 0.00 176.91 180.07 3fws h THR 200 N 0.99 1.05 -0.30 2.22 2.02 -0.91 -1.96 112.91 116.04 3fws h THR 200 Ca 0.24 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3fws h THR 200 Cb 0.14 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 3fws h THR 200 CO -0.03 0.13 0.19 0.11 0.37 0.00 0.00 175.52 176.30 3fws h LYS 201 N 0.72 0.39 -0.15 6.66 1.57 -1.05 0.52 116.57 125.24 3fws h LYS 201 Ca 0.25 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.93 3fws h LYS 201 Cb 0.05 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 3fws h LYS 201 CO -0.11 0.26 -0.21 0.82 -0.57 0.00 0.00 179.45 179.64 3fws h ILE 202 N 0.40 1.36 -0.28 1.86 2.04 -1.02 -1.47 117.51 120.40 3fws h ILE 202 Ca 0.11 -1.43 0.04 0.00 1.00 0.00 0.00 64.86 64.58 3fws h ILE 202 Cb -0.04 1.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 3fws h ILE 202 CO -0.02 0.42 0.06 0.25 0.00 0.00 0.00 178.15 178.86 3fws h LEU 203 N 0.02 0.03 -0.55 1.44 5.85 -0.98 -2.06 115.31 119.05 3fws h LEU 203 Ca 0.02 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.87 3fws h LEU 203 Cb 0.77 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.78 3fws h LEU 203 CO 0.05 0.05 0.13 0.58 -0.34 0.00 0.00 178.44 178.91 3fws h VAL 204 N 0.17 0.71 -0.57 1.05 2.07 -0.83 -2.74 116.25 116.12 3fws h VAL 204 Ca 0.13 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.58 3fws h VAL 204 Cb 0.13 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3fws h VAL 204 CO -0.16 0.05 0.38 0.77 0.02 0.00 0.00 177.57 178.62 3fws h SER 205 N 0.27 0.60 -0.93 0.57 4.64 -0.59 -0.72 113.55 117.39 3fws h SER 205 Ca 0.28 -0.01 0.13 0.00 -0.47 0.00 0.00 61.79 61.72 3fws h SER 205 Cb 0.38 -0.14 -0.08 0.00 -0.31 0.00 0.00 62.40 62.25 3fws h SER 205 CO -0.34 0.43 0.60 -0.07 -0.87 0.00 0.00 176.83 176.57 3fws h LEU 206 N 0.71 0.78 -0.08 5.97 3.38 -1.11 0.80 115.31 125.76 3fws h LEU 206 Ca 0.22 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3fws h LEU 206 Cb 0.01 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3fws h LEU 206 CO -0.05 0.41 -0.27 -1.54 0.09 0.00 0.00 178.44 177.07 3fws n SER 207 N -4.58 0.39 -0.05 -0.43 3.41 -0.30 -4.06 113.62 107.99 3fws n SER 207 Ca 0.18 -0.14 -0.04 0.00 -0.26 0.00 0.00 58.87 58.60 3fws n SER 207 Cb 0.41 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.31 3fws n SER 207 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fws n GLU 208 N -1.34 0.33 0.00 4.33 4.71 -0.70 -5.14 120.64 122.83 3fws n GLU 208 Ca 0.08 0.35 0.01 0.00 -0.01 0.00 0.00 57.16 57.59 3fws n GLU 208 Cb 0.33 -1.32 0.03 0.00 -1.01 0.00 0.00 31.44 29.46 3fws n GLU 208 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51