#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fws h GLN 69 N 0.00 0.87 -0.60 -0.78 -0.00 -2.05 -2.27 115.11 110.27 3fws h GLN 69 Ca 0.00 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.57 3fws h GLN 69 Cb 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 27.48 27.26 3fws h GLN 69 CO 0.00 0.58 0.30 -0.07 0.00 0.00 0.00 178.83 179.64 3fws h LEU 70 N 0.89 0.78 0.22 -2.39 3.38 -2.06 -0.12 115.31 116.01 3fws h LEU 70 Ca 0.24 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3fws h LEU 70 Cb -0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3fws h LEU 70 CO -0.05 0.68 -0.17 0.25 0.09 0.00 0.00 178.44 179.23 3fws h LEU 71 N 0.82 -0.45 -0.68 1.67 5.85 -1.89 -2.15 115.31 118.47 3fws h LEU 71 Ca 0.21 0.04 0.12 0.00 0.84 0.00 0.00 57.88 59.09 3fws h LEU 71 Cb 0.10 0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.19 3fws h LEU 71 CO -0.03 -0.27 0.24 0.00 -0.34 0.00 0.00 178.44 178.04 3fws h ALA 72 N 0.34 0.91 -0.62 1.25 0.00 -1.31 -2.01 119.26 117.82 3fws h ALA 72 Ca -0.01 0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.13 3fws h ALA 72 Cb 0.36 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.16 3fws h ALA 72 CO -0.01 -0.23 0.08 -0.44 0.00 0.00 0.00 179.25 178.65 3fws h ASP 73 N 0.39 -0.11 -0.05 0.00 3.32 -0.65 -1.46 116.42 117.86 3fws h ASP 73 Ca 0.37 0.13 -0.11 0.00 0.02 0.00 0.00 57.03 57.44 3fws h ASP 73 Cb 0.53 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 3fws h ASP 73 CO -0.38 -0.05 -0.30 0.11 -1.72 0.00 0.00 179.24 176.90 3fws h LYS 74 N 0.20 0.51 -0.01 3.56 1.57 -0.87 -2.26 116.57 119.27 3fws h LYS 74 Ca 0.33 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 3fws h LYS 74 Cb 0.52 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 3fws h LYS 74 CO -0.46 0.75 -0.30 -0.07 -0.57 0.00 0.00 179.45 178.80 3fws h LEU 75 N 0.44 0.01 -0.32 2.94 3.38 -0.73 -2.79 115.31 118.24 3fws h LEU 75 Ca 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3fws h LEU 75 Cb 0.74 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3fws h LEU 75 CO 0.06 0.31 0.00 0.29 0.09 0.00 0.00 178.44 179.19 3fws n LYS 76 N -4.18 1.21 0.00 1.13 5.02 -0.61 -3.02 118.16 117.72 3fws n LYS 76 Ca -0.02 -0.31 0.07 0.00 -2.02 0.00 0.00 58.31 56.02 3fws n LYS 76 Cb 0.35 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3fws n LYS 76 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3fws n LYS 77 N -0.51 1.77 -2.12 1.97 3.00 -1.05 -4.80 118.16 116.42 3fws n LYS 77 Ca 0.17 -0.77 -0.41 0.00 -0.00 0.00 0.00 58.31 57.29 3fws n LYS 77 Cb 0.15 -1.21 -0.03 0.00 0.00 0.00 0.00 35.03 33.95 3fws n LYS 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3fws s LEU 78 N -1.85 4.41 0.22 3.14 1.43 -1.17 -4.93 118.68 119.93 3fws s LEU 78 Ca 0.12 2.55 0.09 0.00 -1.03 0.00 0.00 54.13 55.86 3fws s LEU 78 Cb 0.11 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.67 3fws s LEU 78 CO 0.34 -0.60 -0.04 -1.10 0.23 0.00 0.00 176.35 175.19 3fws s GLN 79 N -0.49 2.23 0.25 1.70 -0.21 -1.26 -0.70 119.66 121.19 3fws s GLN 79 Ca 0.56 -1.31 -0.06 0.00 0.02 0.00 0.00 55.36 54.58 3fws s GLN 79 Cb -0.39 -2.19 0.27 0.00 1.00 0.00 0.00 33.01 31.70 3fws s GLN 79 CO 0.42 0.41 1.90 0.28 -2.12 0.00 0.00 175.29 176.18 3fws h VAL 80 N 2.30 1.25 -0.92 1.09 2.07 -0.93 -2.74 116.25 118.36 3fws h VAL 80 Ca -0.46 -0.55 0.21 0.00 0.82 0.00 0.00 66.70 66.73 3fws h VAL 80 Cb 1.23 -0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 3fws h VAL 80 CO 0.58 0.26 0.61 0.07 0.02 0.00 0.00 177.57 179.11 3fws h LYS 81 N 1.27 0.41 -0.00 1.57 2.10 -1.35 -0.94 116.57 119.62 3fws h LYS 81 Ca 0.33 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.96 3fws h LYS 81 Cb -0.06 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.18 3fws h LYS 81 CO -0.06 0.27 -0.10 -0.25 -2.00 0.00 0.00 179.45 177.31 3fws n ASP 82 N -4.53 0.10 -0.39 7.07 8.00 -1.03 -4.14 116.55 121.63 3fws n ASP 82 Ca 0.20 0.35 0.03 0.00 0.71 0.00 0.00 54.79 56.08 3fws n ASP 82 Cb 0.71 -0.35 0.04 0.00 -0.02 0.00 0.00 41.12 41.50 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 -1.50 0.00 -3.40 1.24 3.01 -0.39 -5.10 117.46 111.32 3fws n PHE 83 Ca 0.07 -0.28 -0.21 0.00 1.01 0.00 0.00 57.45 58.04 3fws n PHE 83 Cb 0.34 -0.08 -0.00 0.00 -0.01 0.00 0.00 39.48 39.73 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 -0.80 3.17 0.38 -1.08 -2.07 -1.01 -4.84 119.66 113.41 3fws s GLN 84 Ca 0.09 -0.80 0.08 0.00 -1.82 0.00 0.00 55.36 52.91 3fws s GLN 84 Cb 0.08 -2.75 -0.04 0.00 -1.09 0.00 0.00 33.01 29.21 3fws s GLN 84 CO 0.01 0.02 0.19 -1.12 -1.32 0.00 0.00 175.29 173.08 3fws s SER 85 N -4.15 4.63 0.68 12.60 0.01 0.37 -4.96 113.70 122.88 3fws s SER 85 Ca 0.44 -0.89 -0.16 0.00 1.31 0.00 0.00 55.95 56.65 3fws s SER 85 Cb -0.10 -0.60 0.01 0.00 0.21 0.00 0.00 66.02 65.54 3fws s SER 85 CO 0.33 -0.45 1.17 0.27 0.41 0.00 0.00 173.24 174.97 3fws s ILE 86 N -2.50 2.67 0.30 1.44 -5.25 -1.26 -0.32 121.20 116.28 3fws s ILE 86 Ca 0.41 0.34 -0.14 0.00 -0.99 0.00 0.00 60.65 60.26 3fws s ILE 86 Cb -0.00 -2.92 -0.09 0.00 2.95 0.00 0.00 42.46 42.40 3fws s ILE 86 CO 0.23 -0.16 0.71 -2.16 -1.79 0.00 0.00 174.94 171.77 3fws s PRO 87 N -3.85 3.99 -0.27 0.37 0.04 -1.26 -3.77 135.00 130.24 3fws s PRO 87 Ca 0.73 0.62 -0.07 0.00 0.04 0.00 0.00 61.00 62.32 3fws s PRO 87 Cb -0.27 -2.48 -0.01 0.00 0.04 0.00 0.00 34.50 31.79 3fws s PRO 87 CO 0.41 0.19 0.07 0.08 0.04 0.00 0.00 177.00 177.79 3fws s VAL 88 N -1.94 4.08 0.05 -0.36 1.01 -1.26 -4.98 120.40 117.00 3fws s VAL 88 Ca 0.53 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 62.12 3fws s VAL 88 Cb -0.11 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 3fws s VAL 88 CO 0.18 0.21 -0.20 0.68 0.00 0.00 0.00 175.10 175.97 3fws s VAL 89 N 1.55 1.64 0.05 2.92 -7.23 -1.26 -1.18 120.40 116.90 3fws s VAL 89 Ca 0.05 -1.23 0.03 0.00 -1.81 0.00 0.00 61.98 59.01 3fws s VAL 89 Cb -0.16 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 3fws s VAL 89 CO 0.03 0.16 -0.09 0.27 -0.31 0.00 0.00 175.10 175.16 3fws s ILE 90 N -0.85 0.64 0.39 -0.62 -4.36 0.61 -4.93 121.20 112.08 3fws s ILE 90 Ca 0.07 -1.21 -0.24 0.00 -0.26 0.00 0.00 60.65 59.00 3fws s ILE 90 Cb -0.09 -0.80 -0.09 0.00 1.25 0.00 0.00 42.46 42.73 3fws s ILE 90 CO 0.02 -0.42 1.01 -2.28 0.24 0.00 0.00 174.94 173.51 3fws s HIS 91 N -1.63 3.37 -0.25 1.37 5.65 -1.26 -0.79 115.29 121.74 3fws s HIS 91 Ca -0.06 1.67 0.25 0.00 0.25 0.00 0.00 55.06 57.17 3fws s HIS 91 Cb -0.08 -3.04 1.18 0.00 -1.18 0.00 0.00 32.58 29.46 3fws s HIS 91 CO 0.00 -0.35 1.76 1.05 -0.65 0.00 0.00 174.74 176.54 3fws h GLU 92 N 2.55 0.00 -0.01 2.88 4.11 -1.32 -2.40 114.58 120.40 3fws h GLU 92 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3fws h GLU 92 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3fws h GLU 92 CO 0.63 0.00 -0.29 0.09 0.07 0.00 0.00 179.01 179.50 3fws n ASN 93 N -2.37 1.44 -4.76 3.06 4.13 -1.26 -2.17 115.26 113.32 3fws n ASN 93 Ca 0.00 -1.17 -0.39 0.00 1.68 0.00 0.00 54.58 54.70 3fws n ASN 93 Cb 0.15 0.22 0.01 0.00 -1.54 0.00 0.00 39.78 38.63 3fws n ASN 93 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3fws s VAL 94 N -2.43 2.33 0.83 2.41 1.01 -0.90 -4.72 120.40 118.92 3fws s VAL 94 Ca 0.24 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.38 3fws s VAL 94 Cb 0.19 -3.16 0.09 0.00 0.00 0.00 0.00 36.38 33.50 3fws s VAL 94 CO 0.51 0.03 1.09 -0.94 0.00 0.00 0.00 175.10 175.79 3fws s SER 95 N -0.75 4.09 0.30 3.32 1.04 -1.26 -1.04 113.70 119.41 3fws s SER 95 Ca 0.62 1.52 -0.01 0.00 0.48 0.00 0.00 55.95 58.57 3fws s SER 95 Cb -0.40 -2.24 0.45 0.00 0.10 0.00 0.00 66.02 63.94 3fws s SER 95 CO 0.50 -2.25 1.91 0.58 0.98 0.00 0.00 173.24 174.96 3fws h VAL 96 N -1.28 1.21 -0.54 5.02 2.07 -0.21 -1.26 116.25 121.25 3fws h VAL 96 Ca -0.47 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 66.51 3fws h VAL 96 Cb 1.26 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 3fws h VAL 96 CO 0.55 0.24 0.31 0.22 0.02 0.00 0.00 177.57 178.92 3fws h TYR 97 N 0.93 0.58 -0.49 1.57 3.20 -1.66 -1.46 116.97 119.64 3fws h TYR 97 Ca 0.23 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.05 3fws h TYR 97 Cb 0.08 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 3fws h TYR 97 CO 0.01 0.32 0.04 -0.44 -1.64 0.00 0.00 178.16 176.45 3fws h ASP 98 N 0.62 0.76 -0.15 -2.11 3.45 -1.64 -1.64 116.42 115.70 3fws h ASP 98 Ca 0.22 -0.17 -0.13 0.00 0.43 0.00 0.00 57.03 57.38 3fws h ASP 98 Cb 0.06 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.62 3fws h ASP 98 CO -0.11 0.80 -0.36 0.00 -1.57 0.00 0.00 179.24 177.99 3fws h ALA 99 N 1.29 0.81 -0.50 3.45 0.00 -0.99 -1.66 119.26 121.65 3fws h ALA 99 Ca 0.15 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 3fws h ALA 99 Cb 0.40 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3fws h ALA 99 CO 0.01 0.65 -0.06 0.82 0.00 0.00 0.00 179.25 180.67 3fws h ILE 100 N 0.56 1.27 -0.27 0.00 2.04 -0.87 -1.77 117.51 118.46 3fws h ILE 100 Ca 0.05 -1.18 0.04 0.00 1.00 0.00 0.00 64.86 64.78 3fws h ILE 100 Cb 0.88 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 3fws h ILE 100 CO 0.08 0.41 0.04 0.00 0.00 0.00 0.00 178.15 178.68 3fws h THR 102 N 0.14 1.22 -0.17 0.00 2.02 -1.08 0.70 112.91 115.73 3fws h THR 102 Ca 0.13 -0.43 -0.09 0.00 0.77 0.00 0.00 66.41 66.78 3fws h THR 102 Cb 0.14 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.39 3fws h THR 102 CO -0.18 0.23 -0.30 0.00 0.37 0.00 0.00 175.52 175.64 3fws h MET 103 N 1.25 0.34 -0.18 6.66 -0.00 -1.05 0.35 114.93 122.30 3fws h MET 103 Ca 0.36 -0.13 -0.11 0.00 -0.00 0.00 0.00 59.70 59.81 3fws h MET 103 Cb -0.10 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 31.48 3fws h MET 103 CO -0.09 0.61 -0.32 0.74 -0.00 0.00 0.00 176.91 177.85 3fws h PHE 104 N 0.30 0.67 -0.52 -0.10 0.04 -1.13 -0.45 116.94 115.75 3fws h PHE 104 Ca 0.04 -0.24 -0.08 0.00 2.80 0.00 0.00 57.97 60.49 3fws h PHE 104 Cb 0.68 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.69 3fws h PHE 104 CO 0.02 0.96 -0.00 -0.07 -0.60 0.00 0.00 178.31 178.62 3fws h LEU 105 N 0.19 0.90 0.00 1.54 3.38 -0.44 -2.55 115.31 118.33 3fws h LEU 105 Ca 0.01 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3fws h LEU 105 Cb 0.91 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3fws h LEU 105 CO 0.07 0.99 -0.22 -0.33 0.09 0.00 0.00 178.44 179.05 3fws h GLU 106 N 0.79 0.00 -6.06 1.13 4.39 -0.42 -3.48 114.58 110.93 3fws h GLU 106 Ca 0.15 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.44 3fws h GLU 106 Cb 0.53 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 29.25 3fws h GLU 106 CO 0.03 0.00 -0.86 -3.47 -1.16 0.00 0.00 179.01 173.55 3fws n ASP 107 N -2.27 -2.50 -4.43 1.42 4.64 -0.21 -5.02 116.55 108.17 3fws n ASP 107 Ca 0.05 -0.85 -0.28 0.00 -1.38 0.00 0.00 54.79 52.32 3fws n ASP 107 Cb 0.44 -4.02 -0.08 0.00 -1.04 0.00 0.00 41.12 36.41 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 -3.61 0.97 -0.03 5.18 -7.23 -0.98 -5.04 120.40 109.66 3fws s VAL 108 Ca 0.14 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.33 3fws s VAL 108 Cb -0.04 -2.37 -0.02 0.00 0.56 0.00 0.00 36.38 34.51 3fws s VAL 108 CO 0.82 0.00 0.05 0.61 -0.31 0.00 0.00 175.10 176.26 3fws n GLY 109 N -1.02 0.39 3.15 2.32 0.00 -1.26 -4.77 105.19 104.00 3fws n GLY 109 Ca -0.10 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.63 1.35 0.02 2.61 2.01 -1.26 -2.69 115.64 116.05 3fws s THR 110 Ca -0.00 -0.72 0.09 0.00 0.31 0.00 0.00 61.69 61.36 3fws s THR 110 Cb 0.01 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 3fws s THR 110 CO 0.06 0.38 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.36 3fws s LEU 111 N -0.35 2.13 -0.18 4.42 1.43 0.41 -4.80 118.68 121.74 3fws s LEU 111 Ca 0.05 -0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 52.53 3fws s LEU 111 Cb -0.07 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 3fws s LEU 111 CO -0.00 0.27 0.07 -0.36 0.23 0.00 0.00 176.35 176.56 3fws s PHE 112 N -0.74 3.28 -0.19 0.29 0.08 -0.33 -1.00 117.98 119.38 3fws s PHE 112 Ca 0.11 0.11 -0.09 0.00 0.12 0.00 0.00 56.93 57.18 3fws s PHE 112 Cb -0.10 -2.08 -0.05 0.00 -0.57 0.00 0.00 43.02 40.23 3fws s PHE 112 CO 0.01 0.19 0.10 0.08 -0.10 0.00 0.00 175.22 175.50 3fws s VAL 113 N 0.32 5.14 0.31 -0.44 1.01 -0.25 -0.28 120.40 126.21 3fws s VAL 113 Ca 0.04 0.09 0.11 0.00 0.00 0.00 0.00 61.98 62.22 3fws s VAL 113 Cb -0.12 -3.33 -0.06 0.00 0.00 0.00 0.00 36.38 32.87 3fws s VAL 113 CO -0.00 0.46 -0.13 0.68 0.00 0.00 0.00 175.10 176.11 3fws s VAL 114 N 0.31 2.44 0.01 2.92 -7.23 0.03 -0.82 120.40 118.06 3fws s VAL 114 Ca 0.06 -2.26 0.00 0.00 -1.81 0.00 0.00 61.98 57.97 3fws s VAL 114 Cb -0.12 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.31 3fws s VAL 114 CO -0.01 -0.30 0.02 -0.90 -0.31 0.00 0.00 175.10 173.60 3fws n ASP 115 N -0.74 0.02 0.31 4.85 5.68 -0.32 -0.84 116.55 125.52 3fws n ASP 115 Ca -0.05 -1.02 0.21 0.00 -0.50 0.00 0.00 54.79 53.43 3fws n ASP 115 Cb 0.62 -0.01 1.05 0.00 -1.14 0.00 0.00 41.12 41.64 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 -0.53 0.11 3.08 -2.00 -0.95 114.38 114.08 3fws h ARG 116 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3fws h ARG 116 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3fws h ARG 116 CO 0.01 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.66 3fws n ASP 117 N -2.98 4.34 -1.07 7.04 8.00 -1.26 -4.93 116.55 125.69 3fws n ASP 117 Ca -0.02 -2.48 -0.11 0.00 0.71 0.00 0.00 54.79 52.89 3fws n ASP 117 Cb 0.11 -0.52 -0.02 0.00 -0.02 0.00 0.00 41.12 40.67 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 0.74 -0.26 -2.77 2.24 0.00 -0.36 -5.01 120.51 115.09 3fws n ALA 118 Ca 0.23 0.12 -0.37 0.00 0.00 0.00 0.00 53.44 53.42 3fws n ALA 118 Cb 0.82 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.48 5.37 0.26 0.00 1.01 -1.26 -4.34 120.40 118.96 3fws s VAL 119 Ca 0.00 0.39 -0.31 0.00 0.00 0.00 0.00 61.98 62.06 3fws s VAL 119 Cb 0.00 -3.49 -0.12 0.00 0.00 0.00 0.00 36.38 32.76 3fws s VAL 119 CO 0.00 0.59 1.57 -0.11 0.00 0.00 0.00 175.10 177.15 3fws n LEU 120 N 2.09 3.94 0.00 3.92 7.94 0.14 -1.17 117.00 133.86 3fws n LEU 120 Ca -0.18 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 3fws n LEU 120 Cb 0.54 -1.54 0.00 0.00 0.53 0.00 0.00 43.42 42.95 3fws n LEU 120 CO 0.33 -0.02 -0.02 1.33 -1.11 0.00 0.00 177.39 177.91 3fws n VAL 121 N 2.45 0.00 -3.59 1.96 0.24 -0.00 -4.85 118.33 114.54 3fws n VAL 121 Ca 0.11 -0.22 -0.05 0.00 -2.04 0.00 0.00 64.34 62.14 3fws n VAL 121 Cb 0.35 0.94 -0.02 0.00 -1.47 0.00 0.00 33.84 33.64 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 -0.50 -0.37 0.11 7.63 0.00 -1.00 -1.24 107.32 111.96 3fws s GLY 122 Ca 0.00 1.05 0.06 0.00 0.00 0.00 0.00 44.72 45.83 3fws s GLY 122 CO 0.00 0.33 -0.14 -1.34 0.00 0.00 0.00 173.10 171.95 3fws s VAL 123 N -2.81 1.27 -0.05 1.40 -7.23 -0.22 -1.09 120.40 111.67 3fws s VAL 123 Ca 0.09 -1.65 0.02 0.00 -1.81 0.00 0.00 61.98 58.63 3fws s VAL 123 Cb -0.00 -1.45 0.01 0.00 0.56 0.00 0.00 36.38 35.50 3fws s VAL 123 CO -0.05 -0.39 -0.11 -0.76 -0.31 0.00 0.00 175.10 173.48 3fws s LEU 124 N -2.34 1.67 0.50 1.32 1.43 -0.17 -1.40 118.68 119.70 3fws s LEU 124 Ca 0.07 -0.25 0.06 0.00 -1.03 0.00 0.00 54.13 52.98 3fws s LEU 124 Cb -0.06 -0.71 0.02 0.00 0.03 0.00 0.00 46.19 45.47 3fws s LEU 124 CO 0.03 0.04 0.38 -0.94 0.23 0.00 0.00 176.35 176.09 3fws s SER 125 N 0.50 4.71 0.18 2.29 1.04 -1.26 -0.45 113.70 120.71 3fws s SER 125 Ca -0.10 -1.11 -0.13 0.00 0.48 0.00 0.00 55.95 55.09 3fws s SER 125 Cb -0.13 0.10 0.09 0.00 0.10 0.00 0.00 66.02 66.17 3fws s SER 125 CO 0.02 -0.95 1.84 0.03 0.98 0.00 0.00 173.24 175.16 3fws h ARG 126 N 0.87 0.71 -0.03 4.02 3.08 -1.90 -2.23 114.38 118.90 3fws h ARG 126 Ca -0.38 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.53 3fws h ARG 126 Cb 1.29 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 3fws h ARG 126 CO 0.58 0.47 -0.43 0.87 -1.07 0.00 0.00 179.97 180.39 3fws h LYS 127 N 0.73 0.06 -0.76 0.04 1.57 -1.96 0.12 116.57 116.38 3fws h LYS 127 Ca 0.21 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.01 3fws h LYS 127 Cb -0.06 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.20 3fws h LYS 127 CO -0.06 0.48 0.46 -0.44 -0.57 0.00 0.00 179.45 179.33 3fws h ASP 128 N 0.05 0.74 0.27 0.86 3.32 -1.84 0.11 116.42 119.92 3fws h ASP 128 Ca 0.00 0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.87 3fws h ASP 128 Cb 0.79 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 3fws h ASP 128 CO 0.06 0.49 -0.76 -0.07 -1.72 0.00 0.00 179.24 177.24 3fws h LEU 129 N 0.88 0.49 -0.77 1.55 3.38 -0.81 -1.05 115.31 118.99 3fws h LEU 129 Ca 0.32 -0.33 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 3fws h LEU 129 Cb 0.10 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3fws h LEU 129 CO -0.14 1.08 -0.29 0.25 0.09 0.00 0.00 178.44 179.43 3fws h LEU 130 N 0.27 0.62 -0.15 1.67 5.85 -0.57 0.96 115.31 123.95 3fws h LEU 130 Ca -0.04 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 3fws h LEU 130 Cb 1.34 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 3fws h LEU 130 CO 0.13 0.88 0.07 -0.09 -0.34 0.00 0.00 178.44 179.09 3fws h ARG 131 N 0.52 0.23 -0.91 1.25 2.43 -0.60 -2.48 114.38 114.81 3fws h ARG 131 Ca 0.07 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3fws h ARG 131 Cb 0.77 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.22 3fws h ARG 131 CO 0.06 0.28 0.60 0.00 -1.51 0.00 0.00 179.97 179.41 3fws h ALA 132 N 0.93 1.41 0.00 2.80 0.00 -0.92 -3.09 119.26 120.39 3fws h ALA 132 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3fws h ALA 132 Cb 0.14 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3fws h ALA 132 CO -0.01 0.50 0.00 0.66 0.00 0.00 0.00 179.25 180.40 3fws h SER 133 N 1.15 0.00 -3.58 0.00 4.64 -0.38 -3.34 113.55 112.05 3fws h SER 133 Ca 0.36 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 61.02 3fws h SER 133 Cb 0.01 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 61.93 3fws h SER 133 CO -0.11 0.00 -0.05 -0.63 -0.87 0.00 0.00 176.83 175.17 3fws s ILE 134 N -3.42 4.98 -0.05 0.95 -1.09 -1.01 -4.45 121.20 117.11 3fws s ILE 134 Ca 0.04 0.01 -0.05 0.00 -2.23 0.00 0.00 60.65 58.42 3fws s ILE 134 Cb 0.08 -4.07 -0.02 0.00 -1.58 0.00 0.00 42.46 36.87 3fws s ILE 134 CO 0.58 -0.42 -0.10 0.61 -1.23 0.00 0.00 174.94 174.38 3fws n GLY 135 N 4.99 -0.41 2.05 6.18 0.00 -1.25 -4.87 105.19 111.88 3fws n GLY 135 Ca -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3fws n GLY 135 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3fws n GLN 136 N -3.12 0.00 -0.61 1.61 -0.06 -1.26 -4.84 117.38 109.10 3fws n GLN 136 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.96 3fws n GLN 136 Cb 0.15 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.33 3fws n GLN 136 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 3fws n GLN 137 N -3.49 0.00 -3.04 3.69 6.02 -1.26 -5.11 117.38 114.19 3fws n GLN 137 Ca 0.00 0.24 -0.45 0.00 -0.01 0.00 0.00 57.00 56.78 3fws n GLN 137 Cb 0.00 -0.37 -0.02 0.00 1.02 0.00 0.00 30.24 30.87 3fws n GLN 137 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3fws s GLU 138 N -0.96 3.71 0.41 -1.09 0.41 -1.26 -4.90 118.70 115.03 3fws s GLU 138 Ca 0.00 -2.13 0.14 0.00 -0.41 0.00 0.00 54.97 52.57 3fws s GLU 138 Cb 0.00 -4.81 1.00 0.00 -1.78 0.00 0.00 34.13 28.54 3fws s GLU 138 CO 0.00 -1.64 1.89 -0.07 -0.49 0.00 0.00 175.26 174.96 3fws h LEU 139 N 9.51 0.46 -1.90 1.80 4.07 -1.92 0.88 115.31 128.22 3fws h LEU 139 Ca 0.17 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.14 3fws h LEU 139 Cb 1.00 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.67 3fws h LEU 139 CO 1.05 0.23 -0.12 0.74 -1.08 0.00 0.00 178.44 179.26 3fws h THR 140 N 0.48 0.85 0.00 0.22 2.02 -1.95 -2.03 112.91 112.51 3fws h THR 140 Ca 0.41 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3fws h THR 140 Cb 0.88 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 3fws h THR 140 CO -0.15 0.11 -0.96 -0.24 0.37 0.00 0.00 175.52 174.65 3fws n SER 141 N -4.06 0.93 -4.56 4.18 2.88 0.30 -4.81 113.62 108.49 3fws n SER 141 Ca -0.02 -0.61 -0.42 0.00 -1.33 0.00 0.00 58.87 56.49 3fws n SER 141 Cb 0.20 1.19 -0.07 0.00 -0.75 0.00 0.00 64.21 64.78 3fws n SER 141 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3fws s VAL 142 N -2.56 4.96 0.34 2.46 1.01 -0.83 -5.00 120.40 120.77 3fws s VAL 142 Ca 0.02 0.38 -0.29 0.00 0.00 0.00 0.00 61.98 62.10 3fws s VAL 142 Cb 0.11 -4.03 -0.11 0.00 0.00 0.00 0.00 36.38 32.35 3fws s VAL 142 CO 0.61 -0.29 1.44 -2.84 0.00 0.00 0.00 175.10 174.02 3fws s PRO 143 N 2.54 4.20 0.62 2.72 0.02 -1.26 -0.24 135.00 143.59 3fws s PRO 143 Ca 0.21 2.44 0.34 0.00 0.02 0.00 0.00 61.00 64.01 3fws s PRO 143 Cb -0.15 -3.02 1.96 0.00 0.02 0.00 0.00 34.50 33.31 3fws s PRO 143 CO 0.14 -0.44 2.25 -0.39 -0.33 0.00 0.00 177.00 178.24 3fws h VAL 144 N 3.10 0.34 0.00 3.83 -1.51 -1.13 -1.38 116.25 119.50 3fws h VAL 144 Ca -0.49 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 64.97 3fws h VAL 144 Cb 1.23 0.95 -0.00 0.00 -2.13 0.00 0.00 31.29 31.34 3fws h VAL 144 CO 0.68 0.00 -0.01 1.12 -1.23 0.00 0.00 177.57 178.13 3fws h HIS 145 N 0.00 0.00 -0.13 5.19 2.07 -1.72 -0.21 115.15 120.35 3fws h HIS 145 Ca 0.02 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.40 3fws h HIS 145 Cb 0.12 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.09 3fws h HIS 145 CO 0.00 0.01 -0.49 0.82 -3.07 0.00 0.00 177.93 175.20 3fws h ILE 146 N 0.00 1.34 0.00 6.12 5.03 -1.56 -3.34 117.51 125.10 3fws h ILE 146 Ca -0.00 -1.72 0.00 0.00 -0.12 0.00 0.00 64.86 63.02 3fws h ILE 146 Cb 0.11 1.78 0.00 0.00 -3.03 0.00 0.00 36.82 35.68 3fws h ILE 146 CO 0.00 0.52 -0.58 2.30 -0.68 0.00 0.00 178.15 179.71 3fws n ILE 147 N -3.97 0.00 -1.51 -0.67 -5.35 -0.67 -5.03 119.36 102.16 3fws n ILE 147 Ca -0.02 -0.28 -0.33 0.00 -0.27 0.00 0.00 62.75 61.85 3fws n ILE 147 Cb 0.55 0.88 0.08 0.00 -1.74 0.00 0.00 39.64 39.41 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 -1.96 2.38 0.12 6.28 0.23 -0.18 -4.97 119.30 121.21 3fws s MET 148 Ca 0.02 1.50 -0.30 0.00 -1.03 0.00 0.00 55.69 55.88 3fws s MET 148 Cb 0.06 -1.89 -0.06 0.00 -1.53 0.00 0.00 34.83 31.41 3fws s MET 148 CO 0.36 -1.60 1.12 0.99 -2.03 0.00 0.00 175.02 173.86 3fws s THR 149 N -2.31 4.04 0.04 3.16 2.01 -0.49 -4.90 115.64 117.19 3fws s THR 149 Ca 0.69 1.61 0.01 0.00 0.31 0.00 0.00 61.69 64.31 3fws s THR 149 Cb -0.23 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 3fws s THR 149 CO 0.46 0.21 0.11 -0.13 -0.69 0.00 0.00 174.62 174.58 3fws s ARG 150 N 0.28 3.10 0.56 4.92 0.52 -1.26 -1.06 118.95 126.01 3fws s ARG 150 Ca 0.53 -0.54 -0.21 0.00 -0.52 0.00 0.00 55.73 54.99 3fws s ARG 150 Cb -0.28 -2.86 -0.04 0.00 0.52 0.00 0.00 34.95 32.28 3fws s ARG 150 CO 0.32 0.61 1.31 -1.64 0.02 0.00 0.00 175.30 175.92 3fws s MET 151 N -2.17 3.09 0.00 3.54 -1.94 -0.37 -2.07 119.30 119.38 3fws s MET 151 Ca 0.28 2.11 0.20 0.00 -1.71 0.00 0.00 55.69 56.57 3fws s MET 151 Cb -0.12 -2.17 0.53 0.00 2.01 0.00 0.00 34.83 35.08 3fws s MET 151 CO 0.20 -1.19 1.44 -0.35 -0.01 0.00 0.00 175.02 175.12 3fws n PRO 152 N -1.18 2.34 -1.90 2.03 -0.04 -1.26 -4.98 135.00 130.00 3fws n PRO 152 Ca 0.11 -2.06 -0.37 0.00 -0.04 0.00 0.00 63.50 61.15 3fws n PRO 152 Cb 0.46 -1.47 0.01 0.00 -0.04 0.00 0.00 33.50 32.47 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 1.20 7.29 -4.41 3.54 4.13 -0.88 -4.87 115.26 121.26 3fws n ASN 153 Ca 0.19 -3.65 -0.33 0.00 1.68 0.00 0.00 54.58 52.48 3fws n ASN 153 Cb 0.51 -1.13 -0.14 0.00 -1.54 0.00 0.00 39.78 37.48 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 -4.17 3.06 -0.24 2.41 1.01 -1.26 -4.83 121.20 117.17 3fws s ILE 154 Ca 0.52 -0.68 -0.24 0.00 0.00 0.00 0.00 60.65 60.25 3fws s ILE 154 Cb 0.39 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 3fws s ILE 154 CO -0.33 0.55 0.81 -0.89 0.00 0.00 0.00 174.94 175.08 3fws s THR 155 N -0.00 4.85 0.35 2.92 2.01 -1.26 -5.03 115.64 119.49 3fws s THR 155 Ca -0.04 1.53 0.09 0.00 0.31 0.00 0.00 61.69 63.58 3fws s THR 155 Cb -0.14 -4.10 -0.07 0.00 0.01 0.00 0.00 72.50 68.20 3fws s THR 155 CO 0.04 -0.06 -0.09 0.68 -0.69 0.00 0.00 174.62 174.51 3fws s VAL 156 N 2.79 2.23 0.31 3.82 -7.23 -1.26 -4.29 120.40 116.77 3fws s VAL 156 Ca 0.34 -2.19 0.03 0.00 -1.81 0.00 0.00 61.98 58.35 3fws s VAL 156 Cb -0.15 -2.68 -0.05 0.00 0.56 0.00 0.00 36.38 34.06 3fws s VAL 156 CO 0.08 -0.19 0.11 0.00 -0.31 0.00 0.00 175.10 174.78 3fws s ARG 158 N -3.89 2.33 0.58 0.00 3.00 -1.26 -1.05 118.95 118.67 3fws s ARG 158 Ca 0.34 -1.32 0.29 0.00 0.00 0.00 0.00 55.73 55.05 3fws s ARG 158 Cb 0.06 -2.22 1.44 0.00 0.00 0.00 0.00 34.95 34.23 3fws s ARG 158 CO 0.15 0.39 1.85 0.00 0.00 0.00 0.00 175.30 177.69 3fws h ARG 159 N 2.11 0.00 -0.00 3.54 3.08 -1.95 -0.76 114.38 120.40 3fws h ARG 159 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3fws h ARG 159 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3fws h ARG 159 CO 0.59 0.00 -0.28 0.39 -1.07 0.00 0.00 179.97 179.60 3fws n GLU 160 N -3.74 0.05 -1.10 0.04 4.71 -1.26 -1.01 120.64 118.33 3fws n GLU 160 Ca 0.11 -0.02 -0.30 0.00 -0.01 0.00 0.00 57.16 56.94 3fws n GLU 160 Cb 0.79 -1.50 0.13 0.00 -1.01 0.00 0.00 31.44 29.85 3fws n GLU 160 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3fws s ASP 161 N -2.96 3.58 -0.16 1.62 -0.00 -0.29 -4.75 116.67 113.70 3fws s ASP 161 Ca 0.13 1.72 -0.15 0.00 -0.00 0.00 0.00 52.55 54.25 3fws s ASP 161 Cb 0.18 -2.37 -0.04 0.00 -0.00 0.00 0.00 42.92 40.69 3fws s ASP 161 CO 0.62 -2.61 0.36 -0.31 -0.00 0.00 0.00 175.17 173.24 3fws s TYR 162 N -2.85 3.45 0.54 4.23 2.02 -1.26 -0.95 117.35 122.53 3fws s TYR 162 Ca 0.63 0.67 0.24 0.00 -0.37 0.00 0.00 57.07 58.25 3fws s TYR 162 Cb -0.19 -2.44 1.42 0.00 -0.40 0.00 0.00 41.96 40.35 3fws s TYR 162 CO 0.57 0.15 2.04 -0.39 -1.57 0.00 0.00 175.55 176.36 3fws h VAL 163 N 4.79 0.73 -0.41 0.71 -1.51 -1.18 -1.92 116.25 117.45 3fws h VAL 163 Ca -0.40 0.00 -0.12 0.00 -1.23 0.00 0.00 66.70 64.96 3fws h VAL 163 Cb 1.17 0.80 -0.01 0.00 -2.13 0.00 0.00 31.29 31.12 3fws h VAL 163 CO 0.75 0.00 -0.21 0.24 -1.23 0.00 0.00 177.57 177.12 3fws h MET 164 N 0.00 0.81 -0.62 5.19 2.86 -1.82 0.27 114.93 121.62 3fws h MET 164 Ca 0.17 -0.32 -0.07 0.00 -2.06 0.00 0.00 59.70 57.42 3fws h MET 164 Cb 0.72 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.32 3fws h MET 164 CO -0.00 0.95 0.14 -0.44 1.06 0.00 0.00 176.91 178.61 3fws h ASP 165 N 0.71 0.96 -0.45 1.22 3.32 -1.71 -2.40 116.42 118.07 3fws h ASP 165 Ca 0.10 -0.24 -0.14 0.00 0.02 0.00 0.00 57.03 56.76 3fws h ASP 165 Cb 0.73 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3fws h ASP 165 CO 0.06 0.95 -0.28 0.40 -1.72 0.00 0.00 179.24 178.65 3fws h ILE 166 N 0.92 1.27 -1.00 0.35 5.03 -0.99 -1.80 117.51 121.29 3fws h ILE 166 Ca 0.19 -1.45 0.11 0.00 -0.12 0.00 0.00 64.86 63.59 3fws h ILE 166 Cb 0.38 1.22 -0.08 0.00 -3.03 0.00 0.00 36.82 35.31 3fws h ILE 166 CO 0.01 0.49 0.63 0.00 -0.68 0.00 0.00 178.15 178.60 3fws h ALA 167 N 0.83 1.51 -0.43 1.87 0.00 -0.42 -1.22 119.26 121.39 3fws h ALA 167 Ca 0.09 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3fws h ALA 167 Cb 0.87 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3fws h ALA 167 CO 0.08 0.27 -0.07 0.87 0.00 0.00 0.00 179.25 180.39 3fws h LYS 168 N 1.03 0.74 -0.45 0.00 1.57 -0.90 -2.16 116.57 116.41 3fws h LYS 168 Ca 0.48 -0.22 -0.14 0.00 -1.87 0.00 0.00 60.65 58.89 3fws h LYS 168 Cb 0.42 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3fws h LYS 168 CO -0.24 0.80 -0.27 0.45 -0.57 0.00 0.00 179.45 179.63 3fws h HIS 169 N 0.68 1.13 -0.70 -1.35 3.86 -0.97 0.26 115.15 118.06 3fws h HIS 169 Ca 0.12 -0.30 -0.00 0.00 -1.16 0.00 0.00 60.37 59.03 3fws h HIS 169 Cb 0.53 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.71 3fws h HIS 169 CO 0.03 1.12 0.42 -0.07 0.86 0.00 0.00 177.93 180.29 3fws h LEU 170 N 0.81 0.84 0.39 2.43 3.38 -1.15 -0.06 115.31 121.95 3fws h LEU 170 Ca 0.09 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3fws h LEU 170 Cb 0.85 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3fws h LEU 170 CO 0.08 0.66 -0.19 0.40 0.09 0.00 0.00 178.44 179.48 3fws h ILE 171 N 0.95 0.51 -0.02 1.22 1.08 -1.20 -1.67 117.51 118.38 3fws h ILE 171 Ca 0.25 -0.58 -0.09 0.00 -0.39 0.00 0.00 64.86 64.05 3fws h ILE 171 Cb -0.03 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 3fws h ILE 171 CO -0.05 0.09 -0.43 -0.33 -0.69 0.00 0.00 178.15 176.74 3fws h GLU 172 N -0.90 0.04 -0.01 2.37 3.07 -0.44 -2.31 114.58 116.40 3fws h GLU 172 Ca -0.05 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 3fws h GLU 172 Cb 0.55 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 3fws h GLU 172 CO 0.09 0.46 -0.34 1.63 -1.40 0.00 0.00 179.01 179.45 3fws n LYS 173 N -4.03 1.05 -3.39 2.33 5.02 -0.04 -4.98 118.16 114.12 3fws n LYS 173 Ca -0.02 -0.75 -0.17 0.00 -2.02 0.00 0.00 58.31 55.36 3fws n LYS 173 Cb 0.46 -1.48 0.09 0.00 -0.02 0.00 0.00 35.03 34.07 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 -0.32 -6.27 -4.24 1.97 6.02 -0.74 -5.01 117.38 108.78 3fws n GLN 174 Ca 0.11 0.83 -0.15 0.00 -0.01 0.00 0.00 57.00 57.79 3fws n GLN 174 Cb 0.40 -5.80 -0.10 0.00 1.02 0.00 0.00 30.24 25.76 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 -3.35 1.16 -0.02 5.09 -4.36 -0.71 -5.05 121.20 113.96 3fws s ILE 175 Ca 0.02 -1.97 0.11 0.00 -0.26 0.00 0.00 60.65 58.55 3fws s ILE 175 Cb -0.00 -1.75 -0.23 0.00 1.25 0.00 0.00 42.46 41.73 3fws s ILE 175 CO 0.72 -0.69 0.76 0.44 0.24 0.00 0.00 174.94 176.41 3fws h ASP 176 N 2.96 0.01 -4.27 4.36 3.45 -1.95 -3.43 116.42 117.55 3fws h ASP 176 Ca -0.37 -0.02 -0.18 0.00 0.43 0.00 0.00 57.03 56.89 3fws h ASP 176 Cb 1.19 -0.00 -0.24 0.00 -0.56 0.00 0.00 39.33 39.71 3fws h ASP 176 CO 0.61 1.02 -0.59 0.00 -1.57 0.00 0.00 179.24 178.70 3fws s ALA 177 N -2.62 -0.20 -0.09 3.45 0.00 -1.26 -1.92 121.76 119.12 3fws s ALA 177 Ca -0.04 0.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.91 3fws s ALA 177 Cb 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 3fws s ALA 177 CO 0.82 -0.11 0.06 -0.51 0.00 0.00 0.00 175.76 176.02 3fws s LEU 178 N -0.56 3.89 0.36 0.00 1.43 0.56 -4.98 118.68 119.37 3fws s LEU 178 Ca -0.06 0.26 -0.26 0.00 -1.03 0.00 0.00 54.13 53.03 3fws s LEU 178 Cb -0.04 -1.94 -0.09 0.00 0.03 0.00 0.00 46.19 44.15 3fws s LEU 178 CO 0.00 0.38 1.08 -2.16 0.23 0.00 0.00 176.35 175.89 3fws s PRO 179 N -1.00 4.32 -0.23 1.29 0.04 -1.26 -0.61 135.00 137.54 3fws s PRO 179 Ca 0.15 1.66 -0.10 0.00 0.04 0.00 0.00 61.00 62.74 3fws s PRO 179 Cb -0.12 -2.79 -0.05 0.00 0.04 0.00 0.00 34.50 31.58 3fws s PRO 179 CO 0.04 -0.04 0.14 0.08 0.04 0.00 0.00 177.00 177.26 3fws s VAL 180 N -1.45 5.31 0.34 -0.36 1.01 -0.28 -1.85 120.40 123.12 3fws s VAL 180 Ca 0.53 0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.76 3fws s VAL 180 Cb -0.27 -3.46 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 3fws s VAL 180 CO 0.34 0.37 -0.05 0.27 0.00 0.00 0.00 175.10 176.03 3fws s ILE 181 N 0.87 2.41 -0.08 2.22 -5.25 -0.21 0.71 121.20 121.87 3fws s ILE 181 Ca 0.07 -2.11 0.03 0.00 -0.99 0.00 0.00 60.65 57.66 3fws s ILE 181 Cb -0.13 -2.71 0.01 0.00 2.95 0.00 0.00 42.46 42.58 3fws s ILE 181 CO 0.03 -0.20 -0.19 -0.75 -1.79 0.00 0.00 174.94 172.04 3fws s LYS 182 N -3.65 2.44 -0.92 0.37 2.20 0.39 -4.29 119.74 116.28 3fws s LYS 182 Ca 0.33 -0.67 -0.24 0.00 -0.36 0.00 0.00 55.97 55.03 3fws s LYS 182 Cb 0.01 -1.89 0.03 0.00 -1.51 0.00 0.00 37.83 34.47 3fws s LYS 182 CO 0.18 0.11 1.48 -0.51 -0.36 0.00 0.00 175.35 176.25 3fws s ASP 183 N 0.49 6.21 0.57 1.43 1.01 -1.26 -2.11 116.67 123.00 3fws s ASP 183 Ca -0.17 -1.03 0.03 0.00 0.71 0.00 0.00 52.55 52.09 3fws s ASP 183 Cb -0.17 -2.56 0.06 0.00 1.01 0.00 0.00 42.92 41.25 3fws s ASP 183 CO 0.07 -1.77 0.79 0.42 0.21 0.00 0.00 175.17 174.89 3fws s THR 184 N 5.91 2.53 0.00 -1.27 -4.23 -0.96 -4.94 115.64 112.67 3fws s THR 184 Ca 0.47 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 60.21 3fws s THR 184 Cb -0.03 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 71.04 3fws s THR 184 CO -0.01 0.00 1.22 0.47 -0.54 0.00 0.00 174.62 175.76 3fws n ASP 185 N -2.35 3.40 0.00 3.99 9.92 -1.26 -2.03 116.55 128.22 3fws n ASP 185 Ca 0.11 -1.89 0.00 0.00 -0.53 0.00 0.00 54.79 52.48 3fws n ASP 185 Cb 0.60 -0.66 0.00 0.00 -0.64 0.00 0.00 41.12 40.42 3fws n ASP 185 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3fws n LYS 186 N 1.09 2.78 0.00 -1.24 5.02 -1.26 -5.17 118.16 119.38 3fws n LYS 186 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3fws n LYS 186 Cb 0.41 -0.70 0.00 0.00 -0.02 0.00 0.00 35.03 34.72 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 1.21 0.55 3.56 0.72 0.00 -0.86 -4.97 105.19 105.40 3fws n GLY 187 Ca 0.00 -2.15 -0.39 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.86 1.48 -0.01 1.61 0.40 -1.26 -2.26 117.98 117.09 3fws s PHE 188 Ca 0.00 0.98 -0.19 0.00 -0.60 0.00 0.00 56.93 57.12 3fws s PHE 188 Cb 0.00 -3.94 -0.05 0.00 0.51 0.00 0.00 43.02 39.54 3fws s PHE 188 CO 0.00 -2.57 0.55 -1.21 0.70 0.00 0.00 175.22 172.69 3fws s GLU 189 N 7.15 4.26 -0.14 0.44 2.02 -0.90 0.25 118.70 131.78 3fws s GLU 189 Ca 0.80 0.65 -0.25 0.00 0.02 0.00 0.00 54.97 56.19 3fws s GLU 189 Cb -0.17 -3.33 -0.02 0.00 0.10 0.00 0.00 34.13 30.71 3fws s GLU 189 CO 0.25 0.40 0.80 0.08 0.02 0.00 0.00 175.26 176.81 3fws s VAL 190 N -0.27 4.93 0.00 2.63 1.01 -1.26 -0.46 120.40 126.97 3fws s VAL 190 Ca 0.29 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.85 3fws s VAL 190 Cb -0.18 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.09 3fws s VAL 190 CO 0.16 0.09 0.51 2.30 0.00 0.00 0.00 175.10 178.16 3fws n ILE 191 N 4.48 0.25 -3.66 2.22 -5.35 0.22 -4.94 119.36 112.58 3fws n ILE 191 Ca 0.03 -0.43 0.02 0.00 -0.27 0.00 0.00 62.75 62.09 3fws n ILE 191 Cb 0.50 1.10 -0.00 0.00 -1.74 0.00 0.00 39.64 39.50 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 -0.25 -0.38 0.14 3.28 0.00 -1.00 -4.58 107.32 104.54 3fws s GLY 192 Ca 0.00 0.61 0.06 0.00 0.00 0.00 0.00 44.72 45.39 3fws s GLY 192 CO 0.00 0.72 -0.15 1.09 0.00 0.00 0.00 173.10 174.76 3fws s ARG 193 N -2.38 1.10 -0.06 2.90 1.70 0.56 -1.12 118.95 121.65 3fws s ARG 193 Ca 0.16 -1.32 -0.01 0.00 -0.47 0.00 0.00 55.73 54.09 3fws s ARG 193 Cb 0.04 -0.98 0.03 0.00 -0.57 0.00 0.00 34.95 33.46 3fws s ARG 193 CO -0.03 0.18 -0.00 0.54 -1.08 0.00 0.00 175.30 174.91 3fws s VAL 194 N -2.29 0.35 0.39 4.99 0.11 0.21 -0.48 120.40 123.68 3fws s VAL 194 Ca 0.12 0.08 0.03 0.00 -2.93 0.00 0.00 61.98 59.29 3fws s VAL 194 Cb -0.04 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 3fws s VAL 194 CO 0.04 0.23 0.09 0.42 -3.33 0.00 0.00 175.10 172.55 3fws s THR 195 N 1.62 0.85 0.62 5.04 -4.23 -1.26 -0.32 115.64 117.96 3fws s THR 195 Ca -0.01 -2.00 0.37 0.00 -1.18 0.00 0.00 61.69 58.88 3fws s THR 195 Cb -0.13 -2.49 0.40 0.00 1.34 0.00 0.00 72.50 71.62 3fws s THR 195 CO -0.03 0.00 2.31 0.11 -0.54 0.00 0.00 174.62 176.47 3fws h LYS 196 N 1.87 0.00 0.07 3.99 1.57 -1.74 -1.63 116.57 120.69 3fws h LYS 196 Ca -0.38 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3fws h LYS 196 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3fws h LYS 196 CO 0.63 0.00 -0.03 1.15 -0.57 0.00 0.00 179.45 180.63 3fws h THR 197 N 0.00 1.11 -0.95 -0.16 2.02 -1.96 -0.24 112.91 112.73 3fws h THR 197 Ca -0.00 -0.63 0.05 0.00 0.77 0.00 0.00 66.41 66.60 3fws h THR 197 Cb 0.01 1.52 -0.06 0.00 -1.74 0.00 0.00 68.15 67.88 3fws h THR 197 CO 0.00 0.16 0.62 0.78 0.37 0.00 0.00 175.52 177.44 3fws h ASN 198 N -0.37 1.00 -0.14 4.18 4.21 -1.67 0.07 115.58 122.85 3fws h ASN 198 Ca -0.01 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.49 3fws h ASN 198 Cb 0.32 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.30 3fws h ASN 198 CO 0.01 0.66 0.05 0.24 -1.29 0.00 0.00 177.43 177.11 3fws h MET 199 N 1.15 0.22 -0.76 0.81 2.86 -1.25 -1.48 114.93 116.49 3fws h MET 199 Ca 0.39 -0.05 0.12 0.00 -2.06 0.00 0.00 59.70 58.10 3fws h MET 199 Cb 0.09 -0.03 -0.08 0.00 0.06 0.00 0.00 31.60 31.64 3fws h MET 199 CO -0.13 0.34 0.36 1.15 1.06 0.00 0.00 176.91 179.69 3fws h THR 200 N 0.06 0.78 -0.30 2.22 2.02 -0.32 -0.79 112.91 116.58 3fws h THR 200 Ca 0.05 -0.20 -0.11 0.00 0.77 0.00 0.00 66.41 66.92 3fws h THR 200 Cb 0.21 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 3fws h THR 200 CO -0.00 0.11 -0.28 0.11 0.37 0.00 0.00 175.52 175.83 3fws h LYS 201 N 0.58 0.60 -0.18 6.66 1.57 -0.84 -1.05 116.57 123.91 3fws h LYS 201 Ca 0.39 -0.25 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 3fws h LYS 201 Cb 0.49 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 3fws h LYS 201 CO -0.32 0.82 -0.32 0.82 -0.57 0.00 0.00 179.45 179.88 3fws h ILE 202 N 0.52 1.28 -0.13 1.86 2.04 -0.27 -0.82 117.51 121.99 3fws h ILE 202 Ca 0.07 -1.36 -0.06 0.00 1.00 0.00 0.00 64.86 64.51 3fws h ILE 202 Cb 0.74 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 38.32 3fws h ILE 202 CO 0.06 0.42 -0.17 0.25 0.00 0.00 0.00 178.15 178.71 3fws h LEU 203 N 0.32 0.37 -0.82 1.44 5.85 -0.61 -0.53 115.31 121.33 3fws h LEU 203 Ca 0.04 -0.51 0.14 0.00 0.84 0.00 0.00 57.88 58.38 3fws h LEU 203 Cb 0.73 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.56 3fws h LEU 203 CO 0.06 0.80 0.41 0.58 -0.34 0.00 0.00 178.44 179.95 3fws h VAL 204 N -0.06 0.74 -0.38 1.05 2.07 -1.06 -2.12 116.25 116.48 3fws h VAL 204 Ca 0.02 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 3fws h VAL 204 Cb 0.72 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3fws h VAL 204 CO 0.04 0.11 0.17 0.28 0.02 0.00 0.00 177.57 178.19 3fws h SER 205 N 0.60 0.51 -0.41 0.57 0.02 -0.69 -1.86 113.55 112.31 3fws h SER 205 Ca 0.44 -0.15 0.08 0.00 -0.84 0.00 0.00 61.79 61.32 3fws h SER 205 Cb 0.59 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 3fws h SER 205 CO -0.35 0.52 0.28 -0.07 -1.14 0.00 0.00 176.83 176.07 3fws h LEU 206 N 0.47 0.16 0.00 5.07 3.38 -0.89 -0.03 115.31 123.47 3fws h LEU 206 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3fws h LEU 206 Cb 0.16 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3fws h LEU 206 CO -0.01 0.10 -0.59 0.77 0.09 0.00 0.00 178.44 178.80 3fws h SER 207 N 0.18 0.00 -0.64 -0.43 4.64 -0.69 -2.58 113.55 114.03 3fws h SER 207 Ca 0.19 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3fws h SER 207 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3fws h SER 207 CO -0.03 0.06 0.00 -0.62 -0.87 0.00 0.00 176.83 175.37 3fws n GLU 208 N -2.35 3.99 -4.20 4.77 -0.58 -0.77 -4.96 120.64 116.54 3fws n GLU 208 Ca 0.03 -2.96 -0.31 0.00 -0.42 0.00 0.00 57.16 53.49 3fws n GLU 208 Cb 0.47 -1.98 -0.06 0.00 -0.57 0.00 0.00 31.44 29.31 3fws n GLU 208 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3fws n ASN 209 N 1.06 -0.56 -1.07 1.62 5.15 -0.95 -4.87 115.26 115.64 3fws n ASN 209 Ca 0.27 -1.13 0.11 0.00 -0.60 0.00 0.00 54.58 53.22 3fws n ASN 209 Cb 0.96 -2.31 0.21 0.00 -0.53 0.00 0.00 39.78 38.11 3fws n ASN 209 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3fws n GLU 210 N -4.43 2.44 -4.96 1.20 1.02 -0.07 -4.92 120.64 110.92 3fws n GLU 210 Ca -0.20 -2.24 -0.32 0.00 -0.02 0.00 0.00 57.16 54.37 3fws n GLU 210 Cb 0.63 -1.47 -0.15 0.00 -0.02 0.00 0.00 31.44 30.43 3fws n GLU 210 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3fws s ILE 211 N -1.30 2.74 0.00 -3.67 1.01 -1.26 -4.97 121.20 113.76 3fws s ILE 211 Ca 0.37 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 60.21 3fws s ILE 211 Cb 0.21 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.59 3fws s ILE 211 CO 0.29 0.56 0.00 -0.11 0.00 0.00 0.00 174.94 175.67