#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fv6 h GLN 69 N 0.00 0.40 -0.44 -0.78 5.75 -2.05 -2.51 115.11 115.47 3fv6 h GLN 69 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3fv6 h GLN 69 Cb 0.00 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 3fv6 h GLN 69 CO 0.00 0.27 0.28 -0.07 -2.65 0.00 0.00 178.83 176.65 3fv6 h LEU 70 N 0.42 0.52 -0.30 -2.39 3.38 -2.05 0.18 115.31 115.07 3fv6 h LEU 70 Ca 0.54 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.53 3fv6 h LEU 70 Cb 0.99 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 3fv6 h LEU 70 CO -0.51 0.41 -0.05 0.25 0.09 0.00 0.00 178.44 178.63 3fv6 h LEU 71 N 0.59 -0.23 -1.43 1.67 5.85 -1.92 0.27 115.31 120.11 3fv6 h LEU 71 Ca 0.16 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.98 3fv6 h LEU 71 Cb -0.03 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3fv6 h LEU 71 CO -0.03 -0.08 0.40 0.00 -0.34 0.00 0.00 178.44 178.39 3fv6 h ALA 72 N 1.29 1.61 -0.27 1.25 0.00 -0.97 -1.77 119.26 120.40 3fv6 h ALA 72 Ca 0.15 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3fv6 h ALA 72 Cb 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3fv6 h ALA 72 CO -0.29 0.35 -0.40 -0.44 0.00 0.00 0.00 179.25 178.47 3fv6 h ASP 73 N 0.77 0.67 -0.29 0.00 3.32 -0.02 -2.87 116.42 118.01 3fv6 h ASP 73 Ca 0.23 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3fv6 h ASP 73 Cb -0.03 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 3fv6 h ASP 73 CO -0.05 0.99 0.19 0.11 -1.72 0.00 0.00 179.24 178.76 3fv6 h LYS 74 N 0.52 0.38 -0.72 3.56 1.57 -0.59 -3.14 116.57 118.15 3fv6 h LYS 74 Ca 0.04 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.85 3fv6 h LYS 74 Cb 0.92 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.10 3fv6 h LYS 74 CO 0.08 0.27 0.47 -0.07 -0.57 0.00 0.00 179.45 179.63 3fv6 h LEU 75 N 0.39 0.69 0.00 2.94 3.38 -1.13 -2.03 115.31 119.54 3fv6 h LEU 75 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3fv6 h LEU 75 Cb -0.03 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3fv6 h LEU 75 CO -0.02 0.45 0.00 0.29 0.09 0.00 0.00 178.44 179.25 3fv6 n LYS 76 N -4.47 0.36 0.02 1.13 5.02 -1.10 -2.83 118.16 116.29 3fv6 n LYS 76 Ca 0.10 0.06 0.11 0.00 -2.02 0.00 0.00 58.31 56.56 3fv6 n LYS 76 Cb 0.20 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.62 3fv6 n LYS 76 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3fv6 n LYS 77 N -1.26 0.50 -1.73 1.97 4.01 -0.76 -4.72 118.16 116.17 3fv6 n LYS 77 Ca 0.12 -0.07 -0.42 0.00 -0.51 0.00 0.00 58.31 57.42 3fv6 n LYS 77 Cb 0.18 -1.60 -0.01 0.00 -0.51 0.00 0.00 35.03 33.08 3fv6 n LYS 77 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3fv6 n LEU 78 N -2.21 4.05 -4.47 -0.35 4.77 -1.13 -4.91 117.00 112.76 3fv6 n LEU 78 Ca -0.01 1.18 -0.27 0.00 -0.03 0.00 0.00 56.01 56.88 3fv6 n LEU 78 Cb 0.51 -1.55 -0.11 0.00 -2.33 0.00 0.00 43.42 39.95 3fv6 n LEU 78 CO 0.43 -0.11 -0.50 -1.10 -1.33 0.00 0.00 177.39 174.79 3fv6 s GLN 79 N -1.19 1.67 0.22 3.23 -0.21 -1.26 -0.55 119.66 121.57 3fv6 s GLN 79 Ca 0.60 -1.48 -0.08 0.00 0.02 0.00 0.00 55.36 54.42 3fv6 s GLN 79 Cb -0.54 -1.92 0.32 0.00 1.00 0.00 0.00 33.01 31.87 3fv6 s GLN 79 CO 0.56 0.40 1.75 0.28 -2.12 0.00 0.00 175.29 176.16 3fv6 h VAL 80 N 3.02 0.77 -1.36 1.09 2.07 -0.70 -2.38 116.25 118.76 3fv6 h VAL 80 Ca -0.46 -0.15 0.41 0.00 0.82 0.00 0.00 66.70 67.31 3fv6 h VAL 80 Cb 1.21 0.28 -0.09 0.00 -1.52 0.00 0.00 31.29 31.17 3fv6 h VAL 80 CO 0.50 0.08 0.93 0.07 0.02 0.00 0.00 177.57 179.18 3fv6 h LYS 81 N 0.45 0.10 -0.01 1.57 2.10 -1.19 0.11 116.57 119.71 3fv6 h LYS 81 Ca 0.33 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.98 3fv6 h LYS 81 Cb 0.41 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 3fv6 h LYS 81 CO -0.32 0.07 -0.07 -0.25 -2.00 0.00 0.00 179.45 176.88 3fv6 n ASP 82 N -4.39 0.83 -2.73 7.07 8.00 -0.89 -4.40 116.55 120.04 3fv6 n ASP 82 Ca 0.33 -1.04 -0.09 0.00 0.71 0.00 0.00 54.79 54.70 3fv6 n ASP 82 Cb 1.39 -0.00 0.06 0.00 -0.02 0.00 0.00 41.12 42.55 3fv6 n ASP 82 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3fv6 n PHE 83 N -0.51 -0.38 -4.05 1.24 3.01 0.38 -5.10 117.46 112.04 3fv6 n PHE 83 Ca 0.18 -2.56 -0.22 0.00 1.01 0.00 0.00 57.45 55.86 3fv6 n PHE 83 Cb 0.28 0.40 -0.04 0.00 -0.01 0.00 0.00 39.48 40.11 3fv6 n PHE 83 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3fv6 s GLN 84 N -1.75 3.08 0.47 -1.08 -0.21 -1.21 -4.78 119.66 114.17 3fv6 s GLN 84 Ca 0.26 -0.97 0.01 0.00 0.02 0.00 0.00 55.36 54.68 3fv6 s GLN 84 Cb 0.42 -2.66 0.01 0.00 1.00 0.00 0.00 33.01 31.78 3fv6 s GLN 84 CO -0.02 0.40 0.08 0.43 -2.12 0.00 0.00 175.29 174.06 3fv6 n SER 85 N -1.26 3.13 -4.69 5.90 7.64 0.21 -4.96 113.62 119.60 3fv6 n SER 85 Ca -0.08 -2.96 -0.42 0.00 1.01 0.00 0.00 58.87 56.42 3fv6 n SER 85 Cb 0.58 0.25 -0.03 0.00 -1.01 0.00 0.00 64.21 64.00 3fv6 n SER 85 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3fv6 s ILE 86 N -2.62 4.42 0.50 0.44 -1.09 -1.26 -1.31 121.20 120.28 3fv6 s ILE 86 Ca 0.06 1.73 -0.15 0.00 -2.23 0.00 0.00 60.65 60.06 3fv6 s ILE 86 Cb -0.00 -4.11 -0.08 0.00 -1.58 0.00 0.00 42.46 36.69 3fv6 s ILE 86 CO 0.04 0.01 0.95 -2.16 -1.23 0.00 0.00 174.94 172.54 3fv6 s PRO 87 N 2.09 3.91 -0.12 2.79 0.04 -1.26 -4.59 135.00 137.86 3fv6 s PRO 87 Ca 0.54 0.86 0.03 0.00 0.04 0.00 0.00 61.00 62.47 3fv6 s PRO 87 Cb -0.23 -2.18 0.01 0.00 0.04 0.00 0.00 34.50 32.14 3fv6 s PRO 87 CO 0.21 -0.23 -0.20 0.08 0.04 0.00 0.00 177.00 176.90 3fv6 s VAL 88 N -2.59 1.84 0.05 -0.36 1.01 -1.26 -5.01 120.40 114.08 3fv6 s VAL 88 Ca 0.57 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.77 3fv6 s VAL 88 Cb -0.10 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 3fv6 s VAL 88 CO 0.32 0.51 -0.21 0.68 0.00 0.00 0.00 175.10 176.39 3fv6 s VAL 89 N 0.73 2.54 0.07 2.92 -7.23 -1.26 -1.01 120.40 117.15 3fv6 s VAL 89 Ca -0.10 -1.29 0.04 0.00 -1.81 0.00 0.00 61.98 58.81 3fv6 s VAL 89 Cb -0.16 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.71 3fv6 s VAL 89 CO 0.01 0.33 -0.12 0.27 -0.31 0.00 0.00 175.10 175.29 3fv6 s ILE 90 N -0.89 0.94 0.51 -0.62 -4.36 -0.23 -4.94 121.20 111.60 3fv6 s ILE 90 Ca 0.14 -1.30 -0.19 0.00 -0.26 0.00 0.00 60.65 59.04 3fv6 s ILE 90 Cb -0.10 -1.00 -0.08 0.00 1.25 0.00 0.00 42.46 42.54 3fv6 s ILE 90 CO 0.04 -0.32 1.03 -2.28 0.24 0.00 0.00 174.94 173.65 3fv6 s HIS 91 N -1.48 3.09 -0.99 1.37 5.65 -1.26 -1.33 115.29 120.33 3fv6 s HIS 91 Ca -0.03 1.55 0.14 0.00 0.25 0.00 0.00 55.06 56.97 3fv6 s HIS 91 Cb -0.09 -2.99 0.58 0.00 -1.18 0.00 0.00 32.58 28.90 3fv6 s HIS 91 CO 0.01 -0.75 1.44 -0.85 -0.65 0.00 0.00 174.74 173.94 3fv6 n GLU 92 N -1.24 0.00 0.00 2.88 0.28 -0.32 -2.16 120.64 120.09 3fv6 n GLU 92 Ca 0.09 0.27 0.12 0.00 -0.16 0.00 0.00 57.16 57.48 3fv6 n GLU 92 Cb 0.53 -1.50 0.17 0.00 1.43 0.00 0.00 31.44 32.06 3fv6 n GLU 92 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3fv6 n ASN 93 N -1.51 2.48 -4.77 -1.84 3.02 -1.26 -2.26 115.26 109.12 3fv6 n ASN 93 Ca 0.03 -1.78 -0.40 0.00 -0.03 0.00 0.00 54.58 52.41 3fv6 n ASN 93 Cb 0.16 0.09 -0.01 0.00 -0.61 0.00 0.00 39.78 39.41 3fv6 n ASN 93 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3fv6 s VAL 94 N -2.11 2.55 0.77 2.41 1.01 -0.92 -4.70 120.40 119.42 3fv6 s VAL 94 Ca 0.28 0.52 -0.13 0.00 0.00 0.00 0.00 61.98 62.66 3fv6 s VAL 94 Cb 0.20 -3.32 0.06 0.00 0.00 0.00 0.00 36.38 33.32 3fv6 s VAL 94 CO 0.36 0.10 1.14 -0.94 0.00 0.00 0.00 175.10 175.76 3fv6 s SER 95 N -0.58 4.21 0.27 3.32 1.04 -1.26 -0.34 113.70 120.36 3fv6 s SER 95 Ca 0.54 2.09 0.00 0.00 0.48 0.00 0.00 55.95 59.06 3fv6 s SER 95 Cb -0.40 -2.56 0.52 0.00 0.10 0.00 0.00 66.02 63.68 3fv6 s SER 95 CO 0.52 -2.24 1.83 0.58 0.98 0.00 0.00 173.24 174.92 3fv6 h VAL 96 N -0.79 0.93 -0.66 5.02 2.07 -0.67 -1.05 116.25 121.09 3fv6 h VAL 96 Ca -0.45 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 3fv6 h VAL 96 Cb 1.26 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3fv6 h VAL 96 CO 0.49 0.18 0.38 0.22 0.02 0.00 0.00 177.57 178.86 3fv6 h TYR 97 N 0.97 0.89 -0.46 1.57 3.20 -1.50 -1.17 116.97 120.48 3fv6 h TYR 97 Ca 0.48 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.23 3fv6 h TYR 97 Cb 0.45 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 3fv6 h TYR 97 CO -0.01 0.62 -0.11 -0.44 -1.64 0.00 0.00 178.16 176.58 3fv6 h ASP 98 N 0.90 0.83 -0.50 -2.11 3.45 -1.67 -1.61 116.42 115.72 3fv6 h ASP 98 Ca 0.23 -0.26 -0.08 0.00 0.43 0.00 0.00 57.03 57.36 3fv6 h ASP 98 Cb 0.01 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.53 3fv6 h ASP 98 CO -0.04 0.96 0.04 0.00 -1.57 0.00 0.00 179.24 178.63 3fv6 h ALA 99 N 1.11 1.04 -0.72 3.45 0.00 -0.94 -1.20 119.26 122.00 3fv6 h ALA 99 Ca 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3fv6 h ALA 99 Cb 0.62 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3fv6 h ALA 99 CO 0.04 0.61 0.39 0.82 0.00 0.00 0.00 179.25 181.11 3fv6 h ILE 100 N 0.85 1.22 -0.23 0.00 2.04 -0.73 -1.06 117.51 119.60 3fv6 h ILE 100 Ca 0.17 -0.57 0.04 0.00 1.00 0.00 0.00 64.86 65.50 3fv6 h ILE 100 Cb 0.45 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3fv6 h ILE 100 CO 0.02 0.25 0.01 0.00 0.00 0.00 0.00 178.15 178.42 3fv6 h THR 102 N 0.08 1.05 -0.63 0.00 2.02 -0.84 -1.05 112.91 113.55 3fv6 h THR 102 Ca 0.11 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 3fv6 h THR 102 Cb 0.13 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.48 3fv6 h THR 102 CO -0.18 0.18 0.31 -0.03 0.37 0.00 0.00 175.52 176.18 3fv6 h MET 103 N 1.00 0.90 -0.25 6.66 -1.53 -0.84 0.27 114.93 121.13 3fv6 h MET 103 Ca 0.38 -0.13 -0.13 0.00 -3.44 0.00 0.00 59.70 56.39 3fv6 h MET 103 Cb 0.16 -0.16 -0.00 0.00 -0.55 0.00 0.00 31.60 31.05 3fv6 h MET 103 CO -0.17 0.71 -0.34 0.74 0.14 0.00 0.00 176.91 177.99 3fv6 h PHE 104 N 0.86 0.82 -0.13 1.39 0.04 -1.10 0.04 116.94 118.86 3fv6 h PHE 104 Ca 0.22 -0.27 0.03 0.00 2.80 0.00 0.00 57.97 60.75 3fv6 h PHE 104 Cb 0.10 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.06 3fv6 h PHE 104 CO -0.00 1.02 -0.04 1.25 -0.60 0.00 0.00 178.31 179.93 3fv6 h LEU 105 N 0.39 -0.15 -0.15 1.54 5.85 -1.03 -2.82 115.31 118.93 3fv6 h LEU 105 Ca 0.03 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 3fv6 h LEU 105 Cb 0.92 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3fv6 h LEU 105 CO 0.08 -0.06 -0.24 -0.33 -0.34 0.00 0.00 178.44 177.55 3fv6 h GLU 106 N -0.02 0.00 -5.54 1.25 4.39 -0.52 -3.48 114.58 110.65 3fv6 h GLU 106 Ca 0.07 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.50 3fv6 h GLU 106 Cb 0.12 0.00 0.18 0.00 -0.10 0.00 0.00 28.75 28.95 3fv6 h GLU 106 CO -0.14 0.24 -0.85 -3.47 -1.16 0.00 0.00 179.01 173.63 3fv6 n ASP 107 N -3.18 -6.54 -4.27 1.42 4.64 -0.02 -5.04 116.55 103.57 3fv6 n ASP 107 Ca 0.03 -0.73 -0.15 0.00 -1.38 0.00 0.00 54.79 52.56 3fv6 n ASP 107 Cb 0.60 -5.01 -0.10 0.00 -1.04 0.00 0.00 41.12 35.58 3fv6 n ASP 107 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3fv6 s VAL 108 N -3.39 0.67 -1.33 5.18 -7.23 -1.10 -5.06 120.40 108.14 3fv6 s VAL 108 Ca 0.45 -1.99 0.13 0.00 -1.81 0.00 0.00 61.98 58.76 3fv6 s VAL 108 Cb -0.07 -2.31 0.03 0.00 0.56 0.00 0.00 36.38 34.59 3fv6 s VAL 108 CO 0.75 -0.31 0.79 0.61 -0.31 0.00 0.00 175.10 176.64 3fv6 n GLY 109 N -0.33 -0.10 2.78 2.32 0.00 -1.26 -4.80 105.19 103.81 3fv6 n GLY 109 Ca -0.04 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 3fv6 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fv6 s THR 110 N -1.45 -0.06 -0.07 2.61 2.01 -1.26 -0.62 115.64 116.80 3fv6 s THR 110 Ca 0.12 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.35 3fv6 s THR 110 Cb 0.11 -0.10 -0.03 0.00 0.01 0.00 0.00 72.50 72.49 3fv6 s THR 110 CO 0.27 0.09 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.48 3fv6 s LEU 111 N 1.11 3.24 -0.23 4.42 1.43 0.93 -4.63 118.68 124.94 3fv6 s LEU 111 Ca -0.09 0.01 -0.08 0.00 -1.03 0.00 0.00 54.13 52.94 3fv6 s LEU 111 Cb -0.13 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 3fv6 s LEU 111 CO -0.03 0.37 0.08 -0.36 0.23 0.00 0.00 176.35 176.64 3fv6 s PHE 112 N -0.82 3.15 -0.14 0.29 0.08 -0.18 -1.35 117.98 119.01 3fv6 s PHE 112 Ca 0.13 -0.18 -0.14 0.00 0.12 0.00 0.00 56.93 56.86 3fv6 s PHE 112 Cb -0.11 -2.20 -0.05 0.00 -0.57 0.00 0.00 43.02 40.09 3fv6 s PHE 112 CO 0.02 -0.16 0.31 0.08 -0.10 0.00 0.00 175.22 175.36 3fv6 s VAL 113 N 1.22 5.28 0.25 -0.44 1.01 -0.05 -1.07 120.40 126.59 3fv6 s VAL 113 Ca 0.05 0.58 0.10 0.00 0.00 0.00 0.00 61.98 62.71 3fv6 s VAL 113 Cb -0.14 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 3fv6 s VAL 113 CO 0.04 0.42 -0.17 0.68 0.00 0.00 0.00 175.10 176.06 3fv6 s VAL 114 N 0.24 2.14 0.77 2.92 -7.23 -0.44 -0.35 120.40 118.45 3fv6 s VAL 114 Ca 0.18 -2.32 -0.02 0.00 -1.81 0.00 0.00 61.98 58.01 3fv6 s VAL 114 Cb -0.13 -2.18 0.15 0.00 0.56 0.00 0.00 36.38 34.78 3fv6 s VAL 114 CO 0.05 -0.49 1.05 1.51 -0.31 0.00 0.00 175.10 176.91 3fv6 s ASP 115 N -3.42 4.09 0.51 4.85 1.47 -0.00 -1.17 116.67 123.00 3fv6 s ASP 115 Ca 0.26 -0.44 0.43 0.00 1.18 0.00 0.00 52.55 53.99 3fv6 s ASP 115 Cb -0.03 0.18 1.64 0.00 -0.34 0.00 0.00 42.92 44.37 3fv6 s ASP 115 CO 0.11 -2.06 1.59 -0.09 0.68 0.00 0.00 175.17 175.41 3fv6 h ARG 116 N -0.69 0.01 -0.61 2.11 9.65 -2.00 0.13 114.38 122.98 3fv6 h ARG 116 Ca -0.35 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.53 3fv6 h ARG 116 Cb 1.26 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.84 3fv6 h ARG 116 CO 0.37 0.01 0.00 -0.25 2.80 0.00 0.00 179.97 182.90 3fv6 n ASP 117 N -4.24 3.35 -1.38 -3.80 8.00 -1.26 -4.93 116.55 112.29 3fv6 n ASP 117 Ca 0.42 -1.99 -0.14 0.00 0.71 0.00 0.00 54.79 53.79 3fv6 n ASP 117 Cb 1.81 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 42.48 3fv6 n ASP 117 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fv6 n ALA 118 N 1.34 -0.33 -2.76 2.24 0.00 0.47 -5.00 120.51 116.46 3fv6 n ALA 118 Ca 0.21 0.16 -0.37 0.00 0.00 0.00 0.00 53.44 53.44 3fv6 n ALA 118 Cb 0.53 -1.59 -0.07 0.00 0.00 0.00 0.00 19.45 18.32 3fv6 n ALA 118 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3fv6 s VAL 119 N -2.62 5.37 0.17 0.00 1.01 -1.26 -4.54 120.40 118.53 3fv6 s VAL 119 Ca 0.00 0.37 -0.32 0.00 0.00 0.00 0.00 61.98 62.03 3fv6 s VAL 119 Cb 0.00 -3.51 -0.11 0.00 0.00 0.00 0.00 36.38 32.76 3fv6 s VAL 119 CO 0.00 0.53 1.74 -0.22 0.00 0.00 0.00 175.10 177.15 3fv6 s LEU 120 N -0.44 4.38 0.00 3.92 2.96 -0.38 -0.82 118.68 128.30 3fv6 s LEU 120 Ca 0.15 2.78 0.00 0.00 -0.22 0.00 0.00 54.13 56.84 3fv6 s LEU 120 Cb -0.13 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.98 3fv6 s LEU 120 CO 0.04 -0.96 0.00 1.33 -1.32 0.00 0.00 176.35 175.44 3fv6 n VAL 121 N 4.29 0.00 -3.60 1.68 0.24 0.53 -4.88 118.33 116.59 3fv6 n VAL 121 Ca 0.16 -0.28 0.03 0.00 -2.04 0.00 0.00 64.34 62.22 3fv6 n VAL 121 Cb 0.37 0.92 -0.00 0.00 -1.47 0.00 0.00 33.84 33.66 3fv6 n VAL 121 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3fv6 s GLY 122 N -0.70 -0.46 0.09 7.63 0.00 -1.08 -3.10 107.32 109.70 3fv6 s GLY 122 Ca 0.00 0.83 0.04 0.00 0.00 0.00 0.00 44.72 45.59 3fv6 s GLY 122 CO 0.00 0.58 -0.11 -1.34 0.00 0.00 0.00 173.10 172.23 3fv6 s VAL 123 N -2.14 0.95 -0.17 1.40 -7.23 -0.69 -0.88 120.40 111.66 3fv6 s VAL 123 Ca 0.16 -1.55 -0.04 0.00 -1.81 0.00 0.00 61.98 58.74 3fv6 s VAL 123 Cb 0.06 -1.26 0.08 0.00 0.56 0.00 0.00 36.38 35.82 3fv6 s VAL 123 CO -0.06 -0.49 0.21 -0.22 -0.31 0.00 0.00 175.10 174.24 3fv6 s LEU 124 N -2.27 -0.11 0.41 1.32 2.96 -0.46 -1.28 118.68 119.25 3fv6 s LEU 124 Ca 0.03 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 3fv6 s LEU 124 Cb -0.05 0.38 -0.01 0.00 0.50 0.00 0.00 46.19 47.02 3fv6 s LEU 124 CO 0.01 -0.30 0.61 -0.94 -1.32 0.00 0.00 176.35 174.41 3fv6 s SER 125 N 2.33 5.92 0.29 3.68 1.04 -1.26 -0.05 113.70 125.64 3fv6 s SER 125 Ca 0.05 0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.71 3fv6 s SER 125 Cb -0.14 -1.54 0.58 0.00 0.10 0.00 0.00 66.02 65.02 3fv6 s SER 125 CO -0.10 -0.60 1.84 -0.09 0.98 0.00 0.00 173.24 175.28 3fv6 h ARG 126 N 0.54 0.94 -0.86 4.02 2.43 -1.23 -1.75 114.38 118.47 3fv6 h ARG 126 Ca -0.47 -0.06 0.12 0.00 -0.81 0.00 0.00 59.98 58.77 3fv6 h ARG 126 Cb 1.25 -0.21 -0.08 0.00 -0.42 0.00 0.00 29.97 30.50 3fv6 h ARG 126 CO 0.57 0.62 0.47 -0.22 -1.51 0.00 0.00 179.97 179.91 3fv6 h LYS 127 N 0.97 0.71 -0.22 0.20 3.64 -1.95 -0.76 116.57 119.16 3fv6 h LYS 127 Ca 0.49 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.71 3fv6 h LYS 127 Cb 0.50 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3fv6 h LYS 127 CO -0.25 0.47 -0.35 -0.44 -2.27 0.00 0.00 179.45 176.61 3fv6 h ASP 128 N 0.73 0.50 -0.29 4.20 3.32 -1.71 -0.05 116.42 123.12 3fv6 h ASP 128 Ca 0.44 -0.20 -0.18 0.00 0.02 0.00 0.00 57.03 57.11 3fv6 h ASP 128 Cb 0.52 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3fv6 h ASP 128 CO -0.30 0.82 -0.51 -0.07 -1.72 0.00 0.00 179.24 177.46 3fv6 h LEU 129 N 0.41 0.95 -1.01 1.55 3.38 -1.05 -1.23 115.31 118.32 3fv6 h LEU 129 Ca 0.04 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 3fv6 h LEU 129 Cb 0.81 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 3fv6 h LEU 129 CO 0.07 1.30 0.40 0.25 0.09 0.00 0.00 178.44 180.55 3fv6 h LEU 130 N 0.64 0.99 -0.05 1.67 5.85 -0.86 0.96 115.31 124.52 3fv6 h LEU 130 Ca 0.02 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3fv6 h LEU 130 Cb 1.12 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 3fv6 h LEU 130 CO 0.12 0.82 0.03 -0.09 -0.34 0.00 0.00 178.44 178.97 3fv6 h ARG 131 N 1.10 0.07 -0.82 1.25 2.43 -0.77 -1.79 114.38 115.86 3fv6 h ARG 131 Ca 0.27 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.45 3fv6 h ARG 131 Cb 0.07 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 3fv6 h ARG 131 CO -0.04 0.13 0.54 0.00 -1.51 0.00 0.00 179.97 179.09 3fv6 h ALA 132 N 0.94 1.04 -0.10 2.80 0.00 -1.08 -3.24 119.26 119.63 3fv6 h ALA 132 Ca 0.02 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 3fv6 h ALA 132 Cb 0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3fv6 h ALA 132 CO -0.00 0.44 -0.53 0.66 0.00 0.00 0.00 179.25 179.81 3fv6 h SER 133 N 1.10 0.32 -0.39 0.00 4.64 -0.54 -2.77 113.55 115.91 3fv6 h SER 133 Ca 0.30 -0.17 -0.10 0.00 -0.47 0.00 0.00 61.79 61.36 3fv6 h SER 133 Cb -0.11 -0.09 -0.06 0.00 -0.31 0.00 0.00 62.40 61.83 3fv6 h SER 133 CO -0.07 0.79 0.13 0.00 -0.87 0.00 0.00 176.83 176.81 3fv6 n ILE 134 N -3.93 1.73 -2.04 0.95 0.13 -0.70 -4.77 119.36 110.73 3fv6 n ILE 134 Ca -0.02 -0.85 0.00 0.00 -1.10 0.00 0.00 62.75 60.78 3fv6 n ILE 134 Cb 0.57 -0.51 0.00 0.00 -0.84 0.00 0.00 39.64 38.86 3fv6 n ILE 134 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3fv6 n GLY 135 N 0.08 4.17 0.02 4.50 0.00 -1.05 -5.06 105.19 107.84 3fv6 n GLY 135 Ca 0.21 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3fv6 n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fv6 n GLN 136 N 0.00 0.87 -3.10 1.61 0.00 -1.26 -5.05 117.38 110.45 3fv6 n GLN 136 Ca 0.00 -0.84 -0.30 0.00 0.00 0.00 0.00 57.00 55.85 3fv6 n GLN 136 Cb 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 30.24 29.54 3fv6 n GLN 136 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 3fv6 s GLN 137 N -0.33 3.78 -0.94 2.61 -0.21 -1.26 -5.00 119.66 118.30 3fv6 s GLN 137 Ca 0.01 0.35 -0.24 0.00 0.02 0.00 0.00 55.36 55.50 3fv6 s GLN 137 Cb 0.00 -2.50 -0.02 0.00 1.00 0.00 0.00 33.01 31.50 3fv6 s GLN 137 CO 0.00 0.11 1.78 -2.00 -2.12 0.00 0.00 175.29 173.06 3fv6 s GLU 138 N -3.48 2.90 0.00 2.91 2.56 -1.26 -4.82 118.70 117.51 3fv6 s GLU 138 Ca 0.49 -0.57 0.28 0.00 0.00 0.00 0.00 54.97 55.17 3fv6 s GLU 138 Cb -0.11 -5.16 1.29 0.00 2.00 0.00 0.00 34.13 32.15 3fv6 s GLU 138 CO 0.27 -2.99 1.93 1.47 -0.56 0.00 0.00 175.26 175.38 3fv6 n LEU 139 N 12.28 0.00 0.13 2.70 -0.00 -1.26 0.23 117.00 131.08 3fv6 n LEU 139 Ca 0.38 0.41 0.12 0.00 -0.00 0.00 0.00 56.01 56.92 3fv6 n LEU 139 Cb 0.48 -0.41 0.49 0.00 -0.00 0.00 0.00 43.42 43.98 3fv6 n LEU 139 CO 0.62 -0.02 0.86 0.41 -0.00 0.00 0.00 177.39 179.26 3fv6 n THR 140 N -1.41 0.80 -0.10 1.47 -1.04 -1.26 -1.35 114.28 111.39 3fv6 n THR 140 Ca 0.09 0.19 -0.13 0.00 -2.04 0.00 0.00 64.05 62.16 3fv6 n THR 140 Cb 0.29 -1.12 -0.10 0.00 -1.82 0.00 0.00 70.33 67.58 3fv6 n THR 140 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3fv6 n SER 141 N -2.26 2.22 -4.62 8.00 7.64 0.14 -4.86 113.62 119.87 3fv6 n SER 141 Ca 0.02 -0.10 -0.43 0.00 1.01 0.00 0.00 58.87 59.38 3fv6 n SER 141 Cb 0.25 -0.16 -0.02 0.00 -1.01 0.00 0.00 64.21 63.26 3fv6 n SER 141 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3fv6 s VAL 142 N -2.41 4.08 0.66 0.44 1.01 -0.83 -4.88 120.40 118.47 3fv6 s VAL 142 Ca -0.25 1.18 -0.16 0.00 0.00 0.00 0.00 61.98 62.75 3fv6 s VAL 142 Cb 0.07 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.27 3fv6 s VAL 142 CO 0.50 -0.57 1.14 -2.16 0.00 0.00 0.00 175.10 174.01 3fv6 s PRO 143 N 4.39 2.69 0.49 2.72 0.04 -1.26 -0.56 135.00 143.51 3fv6 s PRO 143 Ca 0.57 1.53 0.27 0.00 0.04 0.00 0.00 61.00 63.41 3fv6 s PRO 143 Cb -0.15 -1.92 1.20 0.00 0.04 0.00 0.00 34.50 33.66 3fv6 s PRO 143 CO 0.26 -1.36 1.94 -0.39 0.04 0.00 0.00 177.00 177.49 3fv6 h VAL 144 N 0.10 0.46 -0.01 -0.36 -1.51 -0.72 -1.28 116.25 112.92 3fv6 h VAL 144 Ca -0.47 -0.82 0.00 0.00 -1.23 0.00 0.00 66.70 64.18 3fv6 h VAL 144 Cb 1.26 1.58 -0.00 0.00 -2.13 0.00 0.00 31.29 32.00 3fv6 h VAL 144 CO 0.53 0.15 0.08 1.12 -1.23 0.00 0.00 177.57 178.23 3fv6 h HIS 145 N 0.00 0.00 -0.11 5.19 2.07 -1.73 0.60 115.15 121.17 3fv6 h HIS 145 Ca -0.00 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.37 3fv6 h HIS 145 Cb 0.57 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.54 3fv6 h HIS 145 CO 0.00 0.00 -0.55 0.82 -3.07 0.00 0.00 177.93 175.13 3fv6 h ILE 146 N 0.00 1.35 0.00 6.12 1.08 -1.54 -3.33 117.51 121.19 3fv6 h ILE 146 Ca 0.01 -1.85 0.00 0.00 -0.39 0.00 0.00 64.86 62.63 3fv6 h ILE 146 Cb 0.17 1.87 0.00 0.00 -3.07 0.00 0.00 36.82 35.80 3fv6 h ILE 146 CO -0.00 0.56 -0.26 2.30 -0.69 0.00 0.00 178.15 180.06 3fv6 n ILE 147 N -3.92 0.00 -1.76 -0.67 -5.35 -0.86 -5.06 119.36 101.73 3fv6 n ILE 147 Ca -0.02 -0.38 -0.36 0.00 -0.27 0.00 0.00 62.75 61.72 3fv6 n ILE 147 Cb 0.59 0.97 0.06 0.00 -1.74 0.00 0.00 39.64 39.53 3fv6 n ILE 147 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fv6 s MET 148 N -1.47 2.60 0.15 6.28 0.23 0.15 -4.97 119.30 122.27 3fv6 s MET 148 Ca 0.02 1.88 -0.30 0.00 -1.03 0.00 0.00 55.69 56.26 3fv6 s MET 148 Cb 0.03 -1.88 -0.08 0.00 -1.53 0.00 0.00 34.83 31.38 3fv6 s MET 148 CO 0.19 -1.51 1.28 0.99 -2.03 0.00 0.00 175.02 173.93 3fv6 s THR 149 N -1.64 3.49 0.34 3.16 2.01 -0.41 -4.89 115.64 117.70 3fv6 s THR 149 Ca 0.78 1.16 0.07 0.00 0.31 0.00 0.00 61.69 64.01 3fv6 s THR 149 Cb -0.32 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 3fv6 s THR 149 CO 0.39 0.14 0.42 -0.13 -0.69 0.00 0.00 174.62 174.75 3fv6 s ARG 150 N 0.36 2.97 -0.04 4.92 0.52 -1.26 -1.70 118.95 124.71 3fv6 s ARG 150 Ca 0.58 -1.13 -0.02 0.00 -0.52 0.00 0.00 55.73 54.64 3fv6 s ARG 150 Cb -0.34 -2.70 -0.07 0.00 0.52 0.00 0.00 34.95 32.36 3fv6 s ARG 150 CO 0.34 0.04 2.55 -0.12 0.02 0.00 0.00 175.30 178.13 3fv6 n MET 151 N -1.57 1.43 -0.12 3.54 0.00 -1.18 -0.12 117.12 119.10 3fv6 n MET 151 Ca 0.00 -0.52 -0.20 0.00 -0.00 0.00 0.00 57.70 56.97 3fv6 n MET 151 Cb 0.59 -1.41 -0.11 0.00 0.00 0.00 0.00 33.22 32.29 3fv6 n MET 151 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 3fv6 n PRO 152 N 1.71 0.59 -0.19 2.12 -0.02 -1.26 -4.90 135.00 133.05 3fv6 n PRO 152 Ca 0.18 0.17 0.03 0.00 -2.02 0.00 0.00 63.50 61.85 3fv6 n PRO 152 Cb 0.64 -1.47 0.10 0.00 -0.02 0.00 0.00 33.50 32.76 3fv6 n PRO 152 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3fv6 n ASN 153 N -3.50 1.82 -4.81 2.55 3.02 0.84 -4.86 115.26 110.31 3fv6 n ASN 153 Ca -0.46 -2.15 -0.36 0.00 -0.03 0.00 0.00 54.58 51.58 3fv6 n ASN 153 Cb 0.93 -0.38 -0.07 0.00 -0.61 0.00 0.00 39.78 39.65 3fv6 n ASN 153 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3fv6 s ILE 154 N -1.59 5.35 -0.23 2.41 -4.36 -1.18 -4.92 121.20 116.67 3fv6 s ILE 154 Ca 0.15 0.16 -0.14 0.00 -0.26 0.00 0.00 60.65 60.55 3fv6 s ILE 154 Cb 0.10 -3.36 -0.04 0.00 1.25 0.00 0.00 42.46 40.40 3fv6 s ILE 154 CO 0.07 0.56 0.32 -0.89 0.24 0.00 0.00 174.94 175.24 3fv6 s THR 155 N -0.53 5.24 0.44 8.37 2.01 -1.26 -5.02 115.64 124.89 3fv6 s THR 155 Ca 0.12 0.52 0.07 0.00 0.31 0.00 0.00 61.69 62.72 3fv6 s THR 155 Cb -0.12 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 3fv6 s THR 155 CO 0.02 0.26 0.35 0.68 -0.69 0.00 0.00 174.62 175.23 3fv6 s VAL 156 N 1.42 2.43 0.21 3.82 -7.23 -1.26 -4.21 120.40 115.58 3fv6 s VAL 156 Ca 0.15 -1.43 -0.01 0.00 -1.81 0.00 0.00 61.98 58.88 3fv6 s VAL 156 Cb -0.15 -2.86 -0.04 0.00 0.56 0.00 0.00 36.38 33.89 3fv6 s VAL 156 CO 0.08 0.00 0.16 0.00 -0.31 0.00 0.00 175.10 175.03 3fv6 s ARG 158 N -4.08 2.10 0.53 0.00 0.52 -1.26 -0.67 118.95 116.09 3fv6 s ARG 158 Ca 0.38 -1.37 0.26 0.00 -0.52 0.00 0.00 55.73 54.48 3fv6 s ARG 158 Cb 0.06 -2.12 1.41 0.00 0.52 0.00 0.00 34.95 34.82 3fv6 s ARG 158 CO 0.13 0.40 1.99 0.00 0.02 0.00 0.00 175.30 177.84 3fv6 h ARG 159 N 2.49 0.00 0.00 3.54 3.08 -1.95 -0.98 114.38 120.56 3fv6 h ARG 159 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3fv6 h ARG 159 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3fv6 h ARG 159 CO 0.57 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.86 3fv6 n GLU 160 N -4.35 0.22 -0.78 0.04 4.71 -1.26 -0.73 120.64 118.50 3fv6 n GLU 160 Ca 0.10 0.18 -0.31 0.00 -0.01 0.00 0.00 57.16 57.13 3fv6 n GLU 160 Cb 0.62 -1.76 0.16 0.00 -1.01 0.00 0.00 31.44 29.46 3fv6 n GLU 160 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3fv6 s ASP 161 N -4.29 2.99 -0.08 1.62 -0.00 -0.37 -4.76 116.67 111.78 3fv6 s ASP 161 Ca 0.11 2.06 -0.13 0.00 -0.00 0.00 0.00 52.55 54.59 3fv6 s ASP 161 Cb 0.13 -2.53 -0.05 0.00 -0.00 0.00 0.00 42.92 40.48 3fv6 s ASP 161 CO 0.58 -3.04 0.33 -0.31 -0.00 0.00 0.00 175.17 172.74 3fv6 s TYR 162 N -2.68 3.61 0.35 4.23 2.02 -1.26 -0.41 117.35 123.21 3fv6 s TYR 162 Ca 0.66 0.78 0.05 0.00 -0.37 0.00 0.00 57.07 58.19 3fv6 s TYR 162 Cb -0.22 -2.26 0.66 0.00 -0.40 0.00 0.00 41.96 39.74 3fv6 s TYR 162 CO 0.58 0.50 1.91 -0.39 -1.57 0.00 0.00 175.55 176.59 3fv6 h VAL 163 N 4.14 1.18 -0.61 0.71 -1.51 -1.11 -2.43 116.25 116.62 3fv6 h VAL 163 Ca -0.48 -0.66 -0.08 0.00 -1.23 0.00 0.00 66.70 64.24 3fv6 h VAL 163 Cb 1.20 0.86 -0.02 0.00 -2.13 0.00 0.00 31.29 31.20 3fv6 h VAL 163 CO 0.66 0.23 0.05 0.24 -1.23 0.00 0.00 177.57 177.53 3fv6 h MET 164 N 0.50 1.03 -0.32 5.19 2.86 -1.84 -1.08 114.93 121.27 3fv6 h MET 164 Ca 0.11 -0.30 0.06 0.00 -2.06 0.00 0.00 59.70 57.51 3fv6 h MET 164 Cb 0.25 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.75 3fv6 h MET 164 CO 0.00 0.99 0.01 -0.44 1.06 0.00 0.00 176.91 178.53 3fv6 h ASP 165 N 0.93 -0.11 -0.60 1.22 3.32 -1.80 -2.33 116.42 117.07 3fv6 h ASP 165 Ca 0.18 0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.20 3fv6 h ASP 165 Cb 0.49 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3fv6 h ASP 165 CO 0.02 -0.02 0.01 0.40 -1.72 0.00 0.00 179.24 177.93 3fv6 h ILE 166 N 0.10 1.26 -0.25 0.35 5.03 -1.36 -2.66 117.51 119.98 3fv6 h ILE 166 Ca 0.16 -1.14 -0.00 0.00 -0.12 0.00 0.00 64.86 63.76 3fv6 h ILE 166 Cb 0.21 0.79 -0.01 0.00 -3.03 0.00 0.00 36.82 34.77 3fv6 h ILE 166 CO -0.26 0.41 0.16 0.00 -0.68 0.00 0.00 178.15 177.79 3fv6 h ALA 167 N 1.03 0.32 -0.57 1.87 0.00 -1.13 0.91 119.26 121.70 3fv6 h ALA 167 Ca 0.17 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.12 3fv6 h ALA 167 Cb 0.55 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 3fv6 h ALA 167 CO 0.03 -0.18 0.23 0.87 0.00 0.00 0.00 179.25 180.20 3fv6 h LYS 168 N 0.32 0.41 -0.52 0.00 1.57 -1.29 -1.68 116.57 115.37 3fv6 h LYS 168 Ca 0.09 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3fv6 h LYS 168 Cb 0.01 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3fv6 h LYS 168 CO -0.02 0.27 0.31 0.45 -0.57 0.00 0.00 179.45 179.89 3fv6 h HIS 169 N 0.42 0.69 -0.93 -1.35 3.86 -1.06 -1.99 115.15 114.79 3fv6 h HIS 169 Ca 0.28 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.51 3fv6 h HIS 169 Cb 0.30 -0.23 -0.05 0.00 1.06 0.00 0.00 27.41 28.49 3fv6 h HIS 169 CO -0.15 0.49 0.61 -0.07 0.86 0.00 0.00 177.93 179.67 3fv6 h LEU 170 N 0.70 1.03 0.29 2.43 3.38 -0.44 -1.63 115.31 121.08 3fv6 h LEU 170 Ca 0.19 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3fv6 h LEU 170 Cb -0.00 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3fv6 h LEU 170 CO -0.03 0.72 -0.14 0.40 0.09 0.00 0.00 178.44 179.47 3fv6 h ILE 171 N 1.20 0.68 -0.07 1.22 2.04 -1.11 -1.74 117.51 119.73 3fv6 h ILE 171 Ca 0.36 -0.70 0.04 0.00 1.00 0.00 0.00 64.86 65.56 3fv6 h ILE 171 Cb -0.04 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 3fv6 h ILE 171 CO -0.10 0.13 -0.21 -0.33 0.00 0.00 0.00 178.15 177.64 3fv6 h GLU 172 N -0.81 -0.29 0.00 2.37 5.08 -1.35 -2.65 114.58 116.93 3fv6 h GLU 172 Ca -0.04 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3fv6 h GLU 172 Cb 0.51 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3fv6 h GLU 172 CO 0.07 -0.20 0.00 1.63 -1.00 0.00 0.00 179.01 179.51 3fv6 n LYS 173 N -5.34 0.22 -3.47 2.33 5.02 -0.62 -4.91 118.16 111.39 3fv6 n LYS 173 Ca -0.04 0.36 -0.18 0.00 -2.02 0.00 0.00 58.31 56.44 3fv6 n LYS 173 Cb 0.26 -1.86 0.08 0.00 -0.02 0.00 0.00 35.03 33.49 3fv6 n LYS 173 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3fv6 n GLN 174 N -2.25 -6.17 -4.19 1.97 6.02 -0.67 -5.00 117.38 107.08 3fv6 n GLN 174 Ca 0.03 0.81 -0.18 0.00 -0.01 0.00 0.00 57.00 57.65 3fv6 n GLN 174 Cb 0.29 -5.75 -0.12 0.00 1.02 0.00 0.00 30.24 25.69 3fv6 n GLN 174 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 3fv6 s ILE 175 N -3.41 1.16 -0.40 5.09 -4.36 -1.09 -5.06 121.20 113.12 3fv6 s ILE 175 Ca 0.02 -1.48 0.22 0.00 -0.26 0.00 0.00 60.65 59.15 3fv6 s ILE 175 Cb -0.00 -1.26 0.29 0.00 1.25 0.00 0.00 42.46 42.74 3fv6 s ILE 175 CO 0.74 -0.33 1.53 0.44 0.24 0.00 0.00 174.94 177.57 3fv6 h ASP 176 N 3.95 0.00 -5.03 4.36 3.32 -1.95 -3.44 116.42 117.64 3fv6 h ASP 176 Ca -0.40 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.54 3fv6 h ASP 176 Cb 1.19 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.56 3fv6 h ASP 176 CO 0.45 0.03 -0.29 0.00 -1.72 0.00 0.00 179.24 177.71 3fv6 s ALA 177 N -3.21 -0.66 0.11 3.45 0.00 -1.26 -1.19 121.76 119.00 3fv6 s ALA 177 Ca 0.06 0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.18 3fv6 s ALA 177 Cb 0.06 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 3fv6 s ALA 177 CO 0.69 -0.33 -0.18 -0.51 0.00 0.00 0.00 175.76 175.42 3fv6 s LEU 178 N -1.73 2.34 0.11 0.00 1.43 0.04 -4.98 118.68 115.89 3fv6 s LEU 178 Ca -0.09 -0.73 -0.30 0.00 -1.03 0.00 0.00 54.13 51.98 3fv6 s LEU 178 Cb -0.03 -0.76 -0.06 0.00 0.03 0.00 0.00 46.19 45.37 3fv6 s LEU 178 CO -0.00 -0.01 0.98 -2.16 0.23 0.00 0.00 176.35 175.38 3fv6 s PRO 179 N -2.16 4.68 -0.17 1.29 0.04 -1.26 -1.66 135.00 135.76 3fv6 s PRO 179 Ca 0.07 1.48 -0.23 0.00 0.04 0.00 0.00 61.00 62.36 3fv6 s PRO 179 Cb -0.08 -3.37 -0.02 0.00 0.04 0.00 0.00 34.50 31.06 3fv6 s PRO 179 CO 0.04 0.19 0.73 0.08 0.04 0.00 0.00 177.00 178.08 3fv6 s VAL 180 N 0.03 4.96 0.24 -0.36 1.01 -0.86 -0.97 120.40 124.45 3fv6 s VAL 180 Ca 0.47 1.42 0.07 0.00 0.00 0.00 0.00 61.98 63.94 3fv6 s VAL 180 Cb -0.24 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 3fv6 s VAL 180 CO 0.30 0.09 -0.10 0.27 0.00 0.00 0.00 175.10 175.66 3fv6 s ILE 181 N 1.86 1.66 0.01 2.22 -5.25 0.16 -0.54 121.20 121.32 3fv6 s ILE 181 Ca 0.34 -2.17 0.06 0.00 -0.99 0.00 0.00 60.65 57.89 3fv6 s ILE 181 Cb -0.16 -2.23 -0.03 0.00 2.95 0.00 0.00 42.46 42.98 3fv6 s ILE 181 CO 0.12 -0.46 -0.16 -0.75 -1.79 0.00 0.00 174.94 171.91 3fv6 s LYS 182 N -3.69 2.26 -0.56 0.37 2.20 0.35 -4.42 119.74 116.25 3fv6 s LYS 182 Ca 0.26 -0.86 -0.23 0.00 -0.36 0.00 0.00 55.97 54.78 3fv6 s LYS 182 Cb 0.01 -2.28 0.05 0.00 -1.51 0.00 0.00 37.83 34.10 3fv6 s LYS 182 CO 0.09 0.57 0.90 -0.51 -0.36 0.00 0.00 175.35 176.04 3fv6 s ASP 183 N -1.20 6.29 0.43 1.43 1.01 -1.26 -1.35 116.67 122.02 3fv6 s ASP 183 Ca 0.14 -0.54 0.01 0.00 0.71 0.00 0.00 52.55 52.87 3fv6 s ASP 183 Cb -0.11 -2.41 0.01 0.00 1.01 0.00 0.00 42.92 41.42 3fv6 s ASP 183 CO 0.04 -1.21 0.08 0.35 0.21 0.00 0.00 175.17 174.64 3fv6 n THR 184 N 6.06 0.00 -0.31 -1.27 -2.24 -0.64 -4.96 114.28 110.92 3fv6 n THR 184 Ca -0.00 -1.96 0.32 0.00 -2.27 0.00 0.00 64.05 60.13 3fv6 n THR 184 Cb 0.47 0.28 0.69 0.00 -2.10 0.00 0.00 70.33 69.67 3fv6 n THR 184 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3fv6 h ASP 185 N 0.91 0.12 0.26 3.42 5.19 -2.04 -2.88 116.42 121.38 3fv6 h ASP 185 Ca -0.34 0.02 -0.33 0.00 -0.62 0.00 0.00 57.03 55.76 3fv6 h ASP 185 Cb 1.07 0.01 -0.05 0.00 0.18 0.00 0.00 39.33 40.53 3fv6 h ASP 185 CO 0.56 0.02 -1.99 1.17 -3.12 0.00 0.00 179.24 175.87 3fv6 n LYS 186 N -4.31 0.68 0.00 3.56 3.00 -1.26 -5.11 118.16 114.72 3fv6 n LYS 186 Ca 0.25 0.21 0.00 0.00 -0.00 0.00 0.00 58.31 58.77 3fv6 n LYS 186 Cb 1.13 -1.69 0.00 0.00 0.00 0.00 0.00 35.03 34.47 3fv6 n LYS 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3fv6 n GLY 187 N 1.77 0.39 3.61 3.14 0.00 -1.09 -4.98 105.19 108.03 3fv6 n GLY 187 Ca -0.27 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 3fv6 n GLY 187 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fv6 s PHE 188 N -4.00 2.89 -0.15 1.61 0.40 -1.26 -1.61 117.98 115.85 3fv6 s PHE 188 Ca 0.00 0.80 -0.08 0.00 -0.60 0.00 0.00 56.93 57.05 3fv6 s PHE 188 Cb 0.00 -4.26 -0.04 0.00 0.51 0.00 0.00 43.02 39.22 3fv6 s PHE 188 CO 0.00 -1.16 0.13 -1.21 0.70 0.00 0.00 175.22 173.69 3fv6 s GLU 189 N 4.26 3.71 0.06 0.44 2.02 -0.46 -1.24 118.70 127.49 3fv6 s GLU 189 Ca 0.47 -0.17 -0.30 0.00 0.02 0.00 0.00 54.97 54.99 3fv6 s GLU 189 Cb -0.08 -3.27 -0.05 0.00 0.10 0.00 0.00 34.13 30.82 3fv6 s GLU 189 CO 0.28 0.60 1.15 0.08 0.02 0.00 0.00 175.26 177.39 3fv6 s VAL 190 N -0.51 4.18 0.00 2.63 1.01 -1.26 -0.50 120.40 125.95 3fv6 s VAL 190 Ca 0.12 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.69 3fv6 s VAL 190 Cb -0.12 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.25 3fv6 s VAL 190 CO 0.02 0.14 0.05 2.30 0.00 0.00 0.00 175.10 177.60 3fv6 n ILE 191 N 3.79 0.00 -3.89 2.22 -5.35 0.30 -4.90 119.36 111.53 3fv6 n ILE 191 Ca 0.08 -0.14 -0.02 0.00 -0.27 0.00 0.00 62.75 62.40 3fv6 n ILE 191 Cb 0.47 1.24 0.02 0.00 -1.74 0.00 0.00 39.64 39.63 3fv6 n ILE 191 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3fv6 s GLY 192 N -0.19 0.04 0.00 3.28 0.00 -0.99 -4.80 107.32 104.66 3fv6 s GLY 192 Ca 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 44.72 44.49 3fv6 s GLY 192 CO 0.00 2.78 0.00 -1.60 0.00 0.00 0.00 173.10 174.28 3fv6 s ARG 193 N -2.20 0.09 -0.03 2.90 3.52 -0.43 -2.03 118.95 120.77 3fv6 s ARG 193 Ca 0.22 -0.15 0.04 0.00 -0.13 0.00 0.00 55.73 55.71 3fv6 s ARG 193 Cb -0.02 0.04 -0.00 0.00 -1.56 0.00 0.00 34.95 33.40 3fv6 s ARG 193 CO 0.04 -0.02 -0.13 0.54 -0.81 0.00 0.00 175.30 174.92 3fv6 s VAL 194 N -0.38 1.09 0.22 7.11 0.11 -0.67 0.65 120.40 128.52 3fv6 s VAL 194 Ca -0.04 -0.54 0.00 0.00 -2.93 0.00 0.00 61.98 58.47 3fv6 s VAL 194 Cb -0.03 -0.94 -0.05 0.00 -1.53 0.00 0.00 36.38 33.84 3fv6 s VAL 194 CO -0.00 0.32 0.10 0.42 -3.33 0.00 0.00 175.10 172.61 3fv6 s THR 195 N 0.02 0.33 0.42 5.04 -4.23 -1.26 -0.78 115.64 115.18 3fv6 s THR 195 Ca -0.01 -1.99 0.25 0.00 -1.18 0.00 0.00 61.69 58.75 3fv6 s THR 195 Cb -0.09 -2.50 0.27 0.00 1.34 0.00 0.00 72.50 71.52 3fv6 s THR 195 CO 0.01 -0.07 2.05 0.11 -0.54 0.00 0.00 174.62 176.18 3fv6 h LYS 196 N 2.53 0.00 -0.50 3.99 1.57 -1.47 -1.32 116.57 121.38 3fv6 h LYS 196 Ca -0.37 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.38 3fv6 h LYS 196 Cb 1.24 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.53 3fv6 h LYS 196 CO 0.58 0.13 0.19 1.15 -0.57 0.00 0.00 179.45 180.93 3fv6 h THR 197 N 0.00 1.22 -0.22 -0.16 2.02 -1.97 -0.69 112.91 113.11 3fv6 h THR 197 Ca -0.00 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.49 3fv6 h THR 197 Cb 0.33 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3fv6 h THR 197 CO 0.02 0.26 0.14 0.78 0.37 0.00 0.00 175.52 177.09 3fv6 h ASN 198 N 0.67 0.25 -0.89 4.18 2.35 -1.62 0.14 115.58 120.67 3fv6 h ASN 198 Ca 0.17 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3fv6 h ASN 198 Cb 0.22 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.48 3fv6 h ASN 198 CO -0.01 0.19 0.56 0.24 -1.65 0.00 0.00 177.43 176.76 3fv6 h MET 199 N 0.30 1.19 -0.92 0.81 2.86 -1.24 -0.56 114.93 117.37 3fv6 h MET 199 Ca 0.08 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3fv6 h MET 199 Cb -0.03 -0.26 -0.04 0.00 0.06 0.00 0.00 31.60 31.33 3fv6 h MET 199 CO -0.02 0.82 0.52 1.15 1.06 0.00 0.00 176.91 180.44 3fv6 h THR 200 N 1.22 1.26 -0.51 2.22 2.02 -0.72 -1.78 112.91 116.61 3fv6 h THR 200 Ca 0.32 -0.62 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 3fv6 h THR 200 Cb -0.09 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.30 3fv6 h THR 200 CO -0.06 0.29 0.20 0.11 0.37 0.00 0.00 175.52 176.42 3fv6 h LYS 201 N 1.28 0.77 -0.61 6.66 1.57 -0.16 -0.77 116.57 125.32 3fv6 h LYS 201 Ca 0.32 -0.15 0.07 0.00 -1.87 0.00 0.00 60.65 59.03 3fv6 h LYS 201 Cb 0.00 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.13 3fv6 h LYS 201 CO -0.05 0.69 0.30 0.82 -0.57 0.00 0.00 179.45 180.63 3fv6 h ILE 202 N 0.69 0.90 -0.52 1.86 2.04 -0.91 -1.13 117.51 120.45 3fv6 h ILE 202 Ca 0.17 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3fv6 h ILE 202 Cb 0.21 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 3fv6 h ILE 202 CO -0.01 0.10 0.28 0.25 0.00 0.00 0.00 178.15 178.77 3fv6 h LEU 203 N 0.55 0.66 -0.52 1.44 6.46 -0.86 -0.41 115.31 122.62 3fv6 h LEU 203 Ca 0.28 -0.10 0.03 0.00 -0.12 0.00 0.00 57.88 57.97 3fv6 h LEU 203 Cb 0.24 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 39.96 3fv6 h LEU 203 CO -0.21 0.57 0.30 0.58 -0.62 0.00 0.00 178.44 179.06 3fv6 h VAL 204 N 0.69 1.03 -0.86 1.05 2.07 -0.91 -2.21 116.25 117.12 3fv6 h VAL 204 Ca 0.18 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.51 3fv6 h VAL 204 Cb 0.06 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 3fv6 h VAL 204 CO -0.03 0.11 0.57 0.28 0.02 0.00 0.00 177.57 178.52 3fv6 h SER 205 N 0.60 0.97 -0.74 0.57 0.02 -0.68 -0.99 113.55 113.30 3fv6 h SER 205 Ca 0.22 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 3fv6 h SER 205 Cb 0.05 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.32 3fv6 h SER 205 CO -0.11 0.70 0.36 -0.07 -1.14 0.00 0.00 176.83 176.57 3fv6 h LEU 206 N 1.15 0.99 -1.19 5.07 3.38 -1.00 0.16 115.31 123.87 3fv6 h LEU 206 Ca 0.32 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3fv6 h LEU 206 Cb -0.11 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.38 3fv6 h LEU 206 CO -0.08 0.84 -0.03 0.77 0.09 0.00 0.00 178.44 180.03 3fv6 h SER 207 N 1.08 0.00 -0.56 -0.43 4.64 -0.56 -2.10 113.55 115.63 3fv6 h SER 207 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3fv6 h SER 207 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3fv6 h SER 207 CO -0.03 0.03 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 3fv6 n GLU 208 N -3.13 2.51 -3.93 4.77 -0.58 -0.78 -4.97 120.64 114.53 3fv6 n GLU 208 Ca 0.01 -2.32 -0.31 0.00 -0.42 0.00 0.00 57.16 54.12 3fv6 n GLU 208 Cb 0.36 -1.52 0.02 0.00 -0.57 0.00 0.00 31.44 29.73 3fv6 n GLU 208 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3fv6 n ASN 209 N 1.43 -4.77 -1.21 1.62 4.05 -0.79 -4.88 115.26 110.71 3fv6 n ASN 209 Ca 0.21 -0.78 0.12 0.00 0.45 0.00 0.00 54.58 54.58 3fv6 n ASN 209 Cb 0.57 -3.81 0.24 0.00 1.23 0.00 0.00 39.78 38.02 3fv6 n ASN 209 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 3fv6 n GLU 210 N -4.66 2.57 -4.87 1.20 1.02 0.53 -4.91 120.64 111.52 3fv6 n GLU 210 Ca 0.05 -2.40 -0.27 0.00 -0.02 0.00 0.00 57.16 54.52 3fv6 n GLU 210 Cb 0.52 -1.53 -0.16 0.00 -0.02 0.00 0.00 31.44 30.25 3fv6 n GLU 210 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3fv6 s ILE 211 N -1.33 1.51 0.00 -3.67 1.01 -1.26 -4.99 121.20 112.48 3fv6 s ILE 211 Ca 0.41 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.34 3fv6 s ILE 211 Cb 0.23 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.38 3fv6 s ILE 211 CO 0.32 0.44 0.00 -0.11 0.00 0.00 0.00 174.94 175.59