#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1al6 s THR 4 N 0.00 4.91 -0.29 2.46 2.01 -1.26 -5.03 115.64 118.45 1al6 s THR 4 Ca 0.00 1.24 0.03 0.00 0.31 0.00 0.00 61.69 63.27 1al6 s THR 4 Cb 0.00 -3.93 0.18 0.00 0.01 0.00 0.00 72.50 68.76 1al6 s THR 4 CO 0.00 0.41 0.50 0.21 -0.69 0.00 0.00 174.62 175.06 1al6 s ASN 5 N -0.17 -0.66 0.33 3.53 3.04 -1.26 -5.03 114.94 114.72 1al6 s ASN 5 Ca 0.31 0.07 0.05 0.00 0.04 0.00 0.00 52.86 53.33 1al6 s ASN 5 Cb -0.18 1.61 0.68 0.00 -1.54 0.00 0.00 41.25 41.82 1al6 s ASN 5 CO 0.17 -0.31 1.88 0.25 -3.04 0.00 0.00 177.10 176.04 1al6 h LEU 6 N 8.08 0.78 -0.95 3.21 5.85 -1.99 -1.53 115.31 128.76 1al6 h LEU 6 Ca -0.09 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.72 1al6 h LEU 6 Cb 1.16 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.00 1al6 h LEU 6 CO 0.22 0.43 0.61 0.50 -0.34 0.00 0.00 178.44 179.86 1al6 h LYS 7 N 0.85 1.10 -0.19 1.25 3.64 -1.99 0.76 116.57 121.99 1al6 h LYS 7 Ca 0.44 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.62 1al6 h LYS 7 Cb 0.51 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1al6 h LYS 7 CO -0.20 0.73 -0.43 -0.44 -2.27 0.00 0.00 179.45 176.84 1al6 h ASP 8 N 1.13 0.47 -0.18 4.20 3.32 -1.71 -2.03 116.42 121.62 1al6 h ASP 8 Ca 0.40 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 1al6 h ASP 8 Cb 0.11 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1al6 h ASP 8 CO -0.15 0.84 0.03 0.58 -1.72 0.00 0.00 179.24 178.82 1al6 h VAL 9 N 0.36 1.22 -0.68 -1.35 2.07 -0.99 -2.65 116.25 114.24 1al6 h VAL 9 Ca 0.03 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 66.86 1al6 h VAL 9 Cb 0.90 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 1al6 h VAL 9 CO 0.08 0.22 0.45 -0.07 0.02 0.00 0.00 177.57 178.26 1al6 h LEU 10 N 0.08 0.73 -2.18 2.57 3.38 -0.82 -1.71 115.31 117.36 1al6 h LEU 10 Ca 0.05 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1al6 h LEU 10 Cb 0.30 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1al6 h LEU 10 CO 0.00 0.51 0.11 0.00 0.09 0.00 0.00 178.44 179.15 1al6 h ALA 11 N 1.60 1.90 0.16 1.53 0.00 -1.01 0.90 119.26 124.34 1al6 h ALA 11 Ca 0.26 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.85 1al6 h ALA 11 Cb 0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1al6 h ALA 11 CO -0.07 -0.17 -1.62 0.77 0.00 0.00 0.00 179.25 178.16 1al6 h SER 12 N 0.00 0.52 -0.35 0.00 0.02 -1.16 -3.39 113.55 109.19 1al6 h SER 12 Ca 0.06 -0.91 -0.03 0.00 -0.84 0.00 0.00 61.79 60.07 1al6 h SER 12 Cb 0.27 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1al6 h SER 12 CO -0.00 1.73 0.11 0.25 -1.14 0.00 0.00 176.83 177.78 1al6 h LEU 13 N -0.06 0.51 -0.39 5.07 6.46 -0.72 -3.34 115.31 122.83 1al6 h LEU 13 Ca -0.33 -0.20 0.08 0.00 -0.12 0.00 0.00 57.88 57.31 1al6 h LEU 13 Cb 1.96 -0.13 -0.09 0.00 -0.73 0.00 0.00 40.66 41.67 1al6 h LEU 13 CO 0.13 0.57 -0.29 0.40 -0.62 0.00 0.00 178.44 178.63 1al6 h ILE 14 N 0.42 0.28 -0.04 4.05 2.04 -1.04 -1.95 117.51 121.26 1al6 h ILE 14 Ca 0.11 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.93 1al6 h ILE 14 Cb 0.24 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1al6 h ILE 14 CO -0.00 0.00 -0.19 -0.65 0.00 0.00 0.00 178.15 177.30 1al6 h PRO 15 N -0.22 0.07 -0.21 2.37 0.11 -1.78 -1.03 132.00 131.30 1al6 h PRO 15 Ca 0.18 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.16 1al6 h PRO 15 Cb 0.51 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 1al6 h PRO 15 CO -0.52 0.26 -0.30 0.87 -0.21 0.00 0.00 178.00 178.11 1al6 h LYS 16 N 0.07 0.58 -0.66 1.05 1.79 -1.52 -2.78 116.57 115.09 1al6 h LYS 16 Ca 0.01 -0.34 -0.08 0.00 -2.18 0.00 0.00 60.65 58.06 1al6 h LYS 16 Cb 0.38 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.03 1al6 h LYS 16 CO 0.03 0.94 0.09 0.93 -1.08 0.00 0.00 179.45 180.36 1al6 h GLU 17 N 0.26 1.10 -0.15 3.15 4.39 -1.08 -1.58 114.58 120.68 1al6 h GLU 17 Ca 0.02 -0.30 0.05 0.00 0.34 0.00 0.00 59.36 59.47 1al6 h GLU 17 Cb 0.87 -0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 29.34 1al6 h GLU 17 CO 0.07 1.02 -0.26 1.96 -1.16 0.00 0.00 179.01 180.64 1al6 h GLN 18 N 1.02 -0.30 -0.51 2.33 4.20 -1.22 0.32 115.11 120.95 1al6 h GLN 18 Ca 0.20 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.97 1al6 h GLN 18 Cb 0.46 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.27 1al6 h GLN 18 CO 0.02 -0.20 0.27 0.00 -0.67 0.00 0.00 178.83 178.24 1al6 h ALA 19 N 0.62 0.66 -0.78 3.87 0.00 -1.20 -0.05 119.26 122.38 1al6 h ALA 19 Ca 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1al6 h ALA 19 Cb 0.48 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1al6 h ALA 19 CO -0.33 -0.07 0.46 -0.09 0.00 0.00 0.00 179.25 179.22 1al6 h ARG 20 N 0.53 1.07 -0.14 0.00 2.43 -0.92 -0.95 114.38 116.40 1al6 h ARG 20 Ca 0.22 -0.11 -0.17 0.00 -0.81 0.00 0.00 59.98 59.11 1al6 h ARG 20 Cb 0.11 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1al6 h ARG 20 CO -0.15 0.77 -0.64 0.82 -1.51 0.00 0.00 179.97 179.26 1al6 h ILE 21 N 1.07 1.34 0.10 1.20 2.04 -0.46 -2.41 117.51 120.40 1al6 h ILE 21 Ca 0.28 -1.94 0.02 0.00 1.00 0.00 0.00 64.86 64.22 1al6 h ILE 21 Cb -0.02 1.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 1al6 h ILE 21 CO -0.05 0.60 -0.33 0.50 0.00 0.00 0.00 178.15 178.87 1al6 h LYS 22 N 0.37 -0.53 -0.77 2.37 3.64 -0.35 -0.72 116.57 120.58 1al6 h LYS 22 Ca -0.01 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1al6 h LYS 22 Cb 1.20 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 33.10 1al6 h LYS 22 CO 0.12 -0.35 0.45 1.15 -2.27 0.00 0.00 179.45 178.54 1al6 h THR 23 N -0.55 1.22 -0.51 1.00 2.02 -1.22 -1.05 112.91 113.83 1al6 h THR 23 Ca 0.03 -0.52 0.01 0.00 0.77 0.00 0.00 66.41 66.70 1al6 h THR 23 Cb 0.59 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1al6 h THR 23 CO -0.20 0.24 0.33 0.15 0.37 0.00 0.00 175.52 176.41 1al6 h PHE 24 N 1.06 0.63 0.00 3.16 3.57 -1.09 -1.44 116.94 122.84 1al6 h PHE 24 Ca 0.28 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.72 1al6 h PHE 24 Cb -0.01 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 1al6 h PHE 24 CO -0.00 0.39 -0.33 0.00 -2.23 0.00 0.00 178.31 176.14 1al6 h ARG 25 N 0.68 0.00 -0.22 1.11 3.08 -0.86 0.38 114.38 118.55 1al6 h ARG 25 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1al6 h ARG 25 Cb -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1al6 h ARG 25 CO -0.05 0.33 0.14 1.96 -1.07 0.00 0.00 179.97 181.28 1al6 h GLN 26 N 0.00 0.29 0.06 0.04 4.20 -0.18 -0.13 115.11 119.39 1al6 h GLN 26 Ca -0.00 -0.02 -0.26 0.00 0.06 0.00 0.00 58.65 58.43 1al6 h GLN 26 Cb 0.67 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1al6 h GLN 26 CO 0.04 0.21 -1.27 1.96 -0.67 0.00 0.00 178.83 179.11 1al6 h GLN 27 N 0.28 0.13 0.00 1.46 4.20 -0.82 -3.41 115.11 116.95 1al6 h GLN 27 Ca 0.08 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1al6 h GLN 27 Cb -0.01 0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1al6 h GLN 27 CO -0.02 1.02 0.00 0.72 -0.67 0.00 0.00 178.83 179.89 1al6 n HIS 28 N -3.38 0.00 -0.36 2.96 8.25 0.13 -4.81 115.22 118.01 1al6 n HIS 28 Ca -0.08 -0.22 0.28 0.00 -0.26 0.00 0.00 57.72 57.44 1al6 n HIS 28 Cb 1.00 -0.02 0.58 0.00 1.12 0.00 0.00 29.99 32.66 1al6 n HIS 28 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1al6 h GLY 29 N 0.00 1.08 -1.67 -1.41 0.00 -1.14 0.31 103.07 100.24 1al6 h GLY 29 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1al6 h GLY 29 CO 0.00 -0.19 0.00 1.16 0.00 0.00 0.00 176.54 177.51 1al6 n ASN 30 N -4.58 2.69 -4.73 0.19 6.94 -1.26 -4.90 115.26 109.61 1al6 n ASN 30 Ca 0.29 -1.88 -0.41 0.00 -0.02 0.00 0.00 54.58 52.55 1al6 n ASN 30 Cb 1.08 -0.17 -0.03 0.00 -2.36 0.00 0.00 39.78 38.29 1al6 n ASN 30 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1al6 s THR 31 N -1.66 3.81 0.01 5.53 2.01 0.11 -4.99 115.64 120.45 1al6 s THR 31 Ca 0.35 1.46 -0.24 0.00 0.31 0.00 0.00 61.69 63.58 1al6 s THR 31 Cb 0.20 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 1al6 s THR 31 CO 0.29 0.21 0.72 0.00 -0.69 0.00 0.00 174.62 175.15 1al6 s ALA 32 N 0.19 3.38 -1.16 7.40 0.00 -1.26 -4.93 121.76 125.38 1al6 s ALA 32 Ca 0.53 0.19 0.13 0.00 0.00 0.00 0.00 51.96 52.81 1al6 s ALA 32 Cb -0.31 -2.94 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 1al6 s ALA 32 CO 0.34 0.04 0.73 1.33 0.00 0.00 0.00 175.76 178.20 1al6 n VAL 33 N 3.05 0.00 0.00 0.00 0.24 -1.26 -5.06 118.33 115.29 1al6 n VAL 33 Ca -0.03 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 1al6 n VAL 33 Cb 0.51 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 34.02 1al6 n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1al6 n GLY 34 N 1.03 -0.15 3.40 7.63 0.00 -1.26 -4.99 105.19 110.84 1al6 n GLY 34 Ca 0.05 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 1al6 n GLY 34 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1al6 s GLN 35 N -2.00 1.47 -0.14 1.61 -0.21 -1.26 -5.12 119.66 114.01 1al6 s GLN 35 Ca 0.00 -1.63 -0.02 0.00 0.02 0.00 0.00 55.36 53.74 1al6 s GLN 35 Cb 0.00 -1.46 -0.02 0.00 1.00 0.00 0.00 33.01 32.53 1al6 s GLN 35 CO 0.00 0.27 -0.09 0.42 -2.12 0.00 0.00 175.29 173.77 1al6 s ILE 36 N -2.56 3.38 0.35 1.08 1.01 -1.26 -4.97 121.20 118.23 1al6 s ILE 36 Ca 0.24 -0.54 0.09 0.00 0.00 0.00 0.00 60.65 60.44 1al6 s ILE 36 Cb -0.04 -2.45 -0.05 0.00 0.01 0.00 0.00 42.46 39.93 1al6 s ILE 36 CO 0.10 0.51 0.06 0.42 0.00 0.00 0.00 174.94 176.04 1al6 s THR 37 N 0.38 2.68 0.22 2.92 -4.23 -1.26 -5.01 115.64 111.34 1al6 s THR 37 Ca -0.08 -1.87 -0.08 0.00 -1.18 0.00 0.00 61.69 58.48 1al6 s THR 37 Cb -0.15 -2.87 0.16 0.00 1.34 0.00 0.00 72.50 70.98 1al6 s THR 37 CO 0.04 -0.17 1.79 0.58 -0.54 0.00 0.00 174.62 176.33 1al6 h VAL 38 N 1.70 0.90 0.00 2.29 2.07 -2.00 -0.37 116.25 120.84 1al6 h VAL 38 Ca -0.43 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 1al6 h VAL 38 Cb 1.25 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1al6 h VAL 38 CO 0.67 0.12 -0.20 0.44 0.02 0.00 0.00 177.57 178.61 1al6 h ASP 39 N 0.64 0.00 -0.11 0.57 3.32 -1.98 -1.92 116.42 116.93 1al6 h ASP 39 Ca 0.33 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.22 1al6 h ASP 39 Cb 0.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1al6 h ASP 39 CO -0.23 0.20 -0.46 0.24 -1.72 0.00 0.00 179.24 177.28 1al6 h MET 40 N 0.00 0.67 -0.48 3.56 2.86 -1.37 0.26 114.93 120.43 1al6 h MET 40 Ca -0.00 -0.37 -0.11 0.00 -2.06 0.00 0.00 59.70 57.16 1al6 h MET 40 Cb 0.38 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 1al6 h MET 40 CO 0.03 0.99 -0.13 0.77 1.06 0.00 0.00 176.91 179.62 1al6 h SER 41 N 0.53 0.90 1.50 1.22 0.02 -1.19 0.00 113.55 116.53 1al6 h SER 41 Ca 0.03 -0.30 -0.07 0.00 -0.84 0.00 0.00 61.79 60.61 1al6 h SER 41 Cb 1.00 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 1al6 h SER 41 CO 0.09 1.04 -0.35 1.88 -1.14 0.00 0.00 176.83 178.35 1al6 h TYR 42 N 0.80 0.00 -0.90 3.45 0.05 -1.30 -3.36 116.97 115.72 1al6 h TYR 42 Ca 0.12 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 58.42 1al6 h TYR 42 Cb 0.66 0.00 -0.27 0.00 1.01 0.00 0.00 36.73 38.13 1al6 h TYR 42 CO 0.04 0.35 0.62 0.41 -1.05 0.00 0.00 178.16 178.53 1al6 n GLY 43 N 1.00 4.44 3.44 3.88 0.00 0.07 -4.90 105.19 113.13 1al6 n GLY 43 Ca 0.02 -1.15 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 1al6 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1al6 n GLY 44 N -0.93 -0.46 2.45 -0.02 0.00 -1.21 -2.21 105.19 102.81 1al6 n GLY 44 Ca 0.54 0.20 -0.19 0.00 0.00 0.00 0.00 46.02 46.57 1al6 n GLY 44 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1al6 n MET 45 N -4.69 -1.53 -1.69 1.61 2.81 -0.05 -4.90 117.12 108.69 1al6 n MET 45 Ca 0.00 1.07 -0.44 0.00 -1.81 0.00 0.00 57.70 56.52 1al6 n MET 45 Cb 0.56 -5.51 -0.04 0.00 -0.71 0.00 0.00 33.22 27.52 1al6 n MET 45 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1al6 n ARG 46 N -2.46 2.47 -0.92 0.03 3.00 -0.94 -0.43 116.66 117.40 1al6 n ARG 46 Ca -0.20 0.89 0.00 0.00 -0.00 0.00 0.00 57.85 58.54 1al6 n ARG 46 Cb 0.64 -2.72 0.00 0.00 0.00 0.00 0.00 32.46 30.38 1al6 n ARG 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1al6 n GLY 47 N 3.82 0.78 3.69 5.14 0.00 -1.26 -4.78 105.19 112.58 1al6 n GLY 47 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1al6 n GLY 47 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1al6 s MET 48 N -0.08 4.30 -0.68 1.61 -1.94 0.42 -5.00 119.30 117.93 1al6 s MET 48 Ca 0.00 0.56 -0.27 0.00 -1.71 0.00 0.00 55.69 54.27 1al6 s MET 48 Cb 0.00 -3.50 0.03 0.00 2.01 0.00 0.00 34.83 33.37 1al6 s MET 48 CO 0.00 -0.02 1.28 0.15 -0.01 0.00 0.00 175.02 176.42 1al6 s LYS 49 N 1.17 3.27 0.00 2.03 1.02 -1.26 -4.80 119.74 121.17 1al6 s LYS 49 Ca 0.28 -0.03 0.00 0.00 0.02 0.00 0.00 55.97 56.24 1al6 s LYS 49 Cb -0.16 -4.14 0.00 0.00 -0.52 0.00 0.00 37.83 33.02 1al6 s LYS 49 CO 0.12 -2.03 0.00 0.41 -0.92 0.00 0.00 175.35 172.93 1al6 n GLY 50 N 5.29 0.88 3.09 -3.33 0.00 -1.26 -5.03 105.19 104.83 1al6 n GLY 50 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 1al6 n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1al6 s LEU 51 N -1.98 2.45 -0.22 0.99 1.43 -1.26 -5.12 118.68 114.97 1al6 s LEU 51 Ca 0.00 -0.92 -0.09 0.00 -1.03 0.00 0.00 54.13 52.09 1al6 s LEU 51 Cb 0.00 0.13 -0.04 0.00 0.03 0.00 0.00 46.19 46.31 1al6 s LEU 51 CO 0.00 -0.53 0.11 -0.63 0.23 0.00 0.00 176.35 175.54 1al6 s ILE 52 N -3.47 5.03 -0.16 -0.59 -1.09 -1.26 -5.03 121.20 114.63 1al6 s ILE 52 Ca 0.04 0.06 -0.04 0.00 -2.23 0.00 0.00 60.65 58.48 1al6 s ILE 52 Cb 0.05 -3.32 0.08 0.00 -1.58 0.00 0.00 42.46 37.69 1al6 s ILE 52 CO -0.08 0.39 0.22 -0.47 -1.23 0.00 0.00 174.94 173.78 1al6 s TYR 53 N 0.83 -0.30 0.08 3.97 5.04 -1.26 -5.04 117.35 120.68 1al6 s TYR 53 Ca 0.06 0.50 0.08 0.00 -2.44 0.00 0.00 57.07 55.26 1al6 s TYR 53 Cb -0.13 -0.26 -0.22 0.00 0.35 0.00 0.00 41.96 41.71 1al6 s TYR 53 CO 0.02 -0.47 1.14 0.93 -1.34 0.00 0.00 175.55 175.83 1al6 h GLU 54 N 8.32 0.00 -0.40 4.97 4.39 -1.97 -3.40 114.58 126.49 1al6 h GLU 54 Ca -0.15 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.47 1al6 h GLU 54 Cb 1.14 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.77 1al6 h GLU 54 CO 0.22 0.89 -0.02 1.79 -1.16 0.00 0.00 179.01 180.72 1al6 h THR 55 N 0.00 1.23 -2.97 1.13 1.35 -1.95 -3.44 112.91 108.26 1al6 h THR 55 Ca -0.07 -0.94 -0.07 0.00 -0.55 0.00 0.00 66.41 64.78 1al6 h THR 55 Cb 1.83 0.95 -0.16 0.00 -1.73 0.00 0.00 68.15 69.03 1al6 h THR 55 CO 0.12 0.33 -0.05 -0.94 -0.25 0.00 0.00 175.52 174.73 1al6 s SER 56 N -6.69 -0.34 -0.03 5.36 1.04 -1.26 -1.64 113.70 110.13 1al6 s SER 56 Ca -0.08 0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.39 1al6 s SER 56 Cb 0.15 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.74 1al6 s SER 56 CO 0.79 -0.70 -0.03 -0.69 0.98 0.00 0.00 173.24 173.59 1al6 s VAL 57 N -2.59 0.36 -0.19 5.02 1.01 -0.49 -4.23 120.40 119.29 1al6 s VAL 57 Ca -0.05 -0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 1al6 s VAL 57 Cb -0.01 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.93 1al6 s VAL 57 CO -0.03 0.17 0.10 -0.22 0.00 0.00 0.00 175.10 175.12 1al6 s LEU 58 N 0.81 4.04 -0.15 3.92 2.96 -1.26 -1.68 118.68 127.32 1al6 s LEU 58 Ca -0.09 0.17 -0.12 0.00 -0.22 0.00 0.00 54.13 53.86 1al6 s LEU 58 Cb -0.13 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 1al6 s LEU 58 CO -0.01 0.18 0.26 -0.62 -1.32 0.00 0.00 176.35 174.84 1al6 s ASP 59 N 0.35 6.42 0.53 3.68 2.15 -0.48 -4.96 116.67 124.36 1al6 s ASP 59 Ca 0.06 0.49 0.19 0.00 0.43 0.00 0.00 52.55 53.72 1al6 s ASP 59 Cb -0.12 -2.16 1.38 0.00 -0.30 0.00 0.00 42.92 41.72 1al6 s ASP 59 CO -0.01 0.16 2.16 -0.65 -0.17 0.00 0.00 175.17 176.67 1al6 h PRO 60 N 6.34 0.00 0.03 4.34 0.11 -1.87 0.21 132.00 141.16 1al6 h PRO 60 Ca -0.43 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.29 1al6 h PRO 60 Cb 1.17 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 1al6 h PRO 60 CO 0.73 0.00 -2.35 -0.25 -0.21 0.00 0.00 178.00 175.92 1al6 n ASP 61 N -4.40 2.01 0.04 -2.05 8.00 -1.26 -0.21 116.55 118.67 1al6 n ASP 61 Ca -0.02 -0.01 0.11 0.00 0.71 0.00 0.00 54.79 55.58 1al6 n ASP 61 Cb 0.11 -0.56 0.05 0.00 -0.02 0.00 0.00 41.12 40.71 1al6 n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1al6 n GLU 62 N -3.43 0.31 0.00 -1.24 1.02 -1.18 -4.73 120.64 111.40 1al6 n GLU 62 Ca -0.43 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.73 1al6 n GLU 62 Cb 0.99 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.78 1al6 n GLU 62 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1al6 n GLY 63 N 1.35 -1.92 3.77 0.62 0.00 0.72 -4.81 105.19 104.92 1al6 n GLY 63 Ca 0.02 -1.78 -0.39 0.00 0.00 0.00 0.00 46.02 43.88 1al6 n GLY 63 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1al6 s ILE 64 N -0.03 3.51 -0.05 -0.61 1.10 -1.26 -1.38 121.20 122.46 1al6 s ILE 64 Ca 0.00 1.34 0.03 0.00 -0.51 0.00 0.00 60.65 61.51 1al6 s ILE 64 Cb 0.00 -3.79 0.01 0.00 0.15 0.00 0.00 42.46 38.83 1al6 s ILE 64 CO 0.00 0.19 -0.14 -0.13 -2.11 0.00 0.00 174.94 172.75 1al6 s ARG 65 N -1.96 1.66 -0.44 3.50 0.52 -0.68 -4.29 118.95 117.28 1al6 s ARG 65 Ca 0.51 -0.48 -0.14 0.00 -0.52 0.00 0.00 55.73 55.11 1al6 s ARG 65 Cb -0.28 -1.41 0.05 0.00 0.52 0.00 0.00 34.95 33.83 1al6 s ARG 65 CO 0.36 0.11 0.33 -0.06 0.02 0.00 0.00 175.30 176.06 1al6 s PHE 66 N 0.38 3.25 -1.53 -0.53 0.08 0.16 -1.40 117.98 118.39 1al6 s PHE 66 Ca -0.10 -0.89 -0.12 0.00 0.12 0.00 0.00 56.93 55.95 1al6 s PHE 66 Cb -0.13 -2.88 0.08 0.00 -0.57 0.00 0.00 43.02 39.52 1al6 s PHE 66 CO 0.03 -0.72 0.84 0.54 -0.10 0.00 0.00 175.22 175.81 1al6 n ARG 67 N 5.14 -4.66 -0.02 0.44 5.12 -0.65 -0.79 116.66 121.23 1al6 n ARG 67 Ca -0.12 0.53 0.00 0.00 -1.93 0.00 0.00 57.85 56.33 1al6 n ARG 67 Cb 0.45 -5.25 0.00 0.00 -1.16 0.00 0.00 32.46 26.50 1al6 n ARG 67 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1al6 n GLY 68 N -1.64 1.87 3.76 -0.13 0.00 -1.26 -5.03 105.19 102.76 1al6 n GLY 68 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 1al6 n GLY 68 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1al6 s PHE 69 N -2.66 3.36 0.78 1.61 0.08 0.03 -4.99 117.98 116.20 1al6 s PHE 69 Ca 0.00 0.32 -0.12 0.00 0.12 0.00 0.00 56.93 57.25 1al6 s PHE 69 Cb 0.00 -1.89 0.06 0.00 -0.57 0.00 0.00 43.02 40.62 1al6 s PHE 69 CO 0.00 0.54 1.14 -1.54 -0.10 0.00 0.00 175.22 175.26 1al6 s SER 70 N -0.77 4.73 0.14 1.36 1.04 -1.26 -0.66 113.70 118.28 1al6 s SER 70 Ca 0.13 0.98 -0.22 0.00 0.48 0.00 0.00 55.95 57.32 1al6 s SER 70 Cb -0.12 -1.62 0.01 0.00 0.10 0.00 0.00 66.02 64.39 1al6 s SER 70 CO 0.03 -1.78 1.65 0.40 0.98 0.00 0.00 173.24 174.52 1al6 h ILE 71 N -0.97 0.51 -0.84 -1.02 2.04 -1.97 0.44 117.51 115.70 1al6 h ILE 71 Ca -0.46 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.48 1al6 h ILE 71 Cb 1.30 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 37.83 1al6 h ILE 71 CO 0.64 0.00 0.55 -0.65 0.00 0.00 0.00 178.15 178.69 1al6 h PRO 72 N -0.21 0.85 -0.25 2.37 0.11 -1.97 0.11 132.00 133.02 1al6 h PRO 72 Ca 0.12 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 1al6 h PRO 72 Cb 0.38 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 1al6 h PRO 72 CO -0.31 0.57 0.12 0.93 -0.21 0.00 0.00 178.00 179.10 1al6 h GLU 73 N 0.88 0.36 -0.65 1.05 5.08 -1.58 -1.03 114.58 118.69 1al6 h GLU 73 Ca 0.37 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.70 1al6 h GLU 73 Cb 0.31 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1al6 h GLU 73 CO -0.14 0.35 0.42 0.00 -1.00 0.00 0.00 179.01 178.63 1al6 h GLN 75 N 0.85 0.58 -0.06 0.00 4.15 -0.46 0.11 115.11 120.28 1al6 h GLN 75 Ca 0.24 -0.03 -0.22 0.00 0.77 0.00 0.00 58.65 59.41 1al6 h GLN 75 Cb -0.06 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.50 1al6 h GLN 75 CO -0.07 0.38 -0.85 -0.22 -1.93 0.00 0.00 178.83 176.14 1al6 h LYS 76 N 0.60 0.54 0.02 1.69 3.64 -0.22 -3.38 116.57 119.45 1al6 h LYS 76 Ca 0.35 -0.51 -0.32 0.00 -1.27 0.00 0.00 60.65 58.91 1al6 h LYS 76 Cb 0.38 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.28 1al6 h LYS 76 CO -0.28 1.13 -1.92 1.28 -2.27 0.00 0.00 179.45 177.40 1al6 n LEU 77 N -3.83 1.00 -4.78 5.20 4.77 0.21 -4.95 117.00 114.62 1al6 n LEU 77 Ca -0.07 0.28 -0.37 0.00 -0.03 0.00 0.00 56.01 55.82 1al6 n LEU 77 Cb 0.78 0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.87 1al6 n LEU 77 CO 0.51 0.49 0.76 -0.76 -1.33 0.00 0.00 177.39 177.07 1al6 s LEU 78 N -6.10 4.21 0.41 2.23 1.43 0.32 -4.96 118.68 116.22 1al6 s LEU 78 Ca -0.09 2.13 -0.27 0.00 -1.03 0.00 0.00 54.13 54.87 1al6 s LEU 78 Cb 0.07 -4.08 -0.10 0.00 0.03 0.00 0.00 46.19 42.12 1al6 s LEU 78 CO 0.81 -0.48 1.45 -2.84 0.23 0.00 0.00 176.35 175.52 1al6 s PRO 79 N -2.31 3.92 0.45 1.29 0.02 -1.26 -4.78 135.00 132.32 1al6 s PRO 79 Ca 0.56 2.48 0.07 0.00 0.02 0.00 0.00 61.00 64.13 1al6 s PRO 79 Cb -0.25 -2.83 -0.01 0.00 0.02 0.00 0.00 34.50 31.43 1al6 s PRO 79 CO 0.31 -0.65 0.34 0.15 -0.33 0.00 0.00 177.00 176.82 1al6 s LYS 80 N -2.25 2.39 0.69 5.54 1.02 -1.26 -1.98 119.74 123.88 1al6 s LYS 80 Ca 0.56 -1.72 -0.13 0.00 0.02 0.00 0.00 55.97 54.70 1al6 s LYS 80 Cb -0.45 -2.22 0.01 0.00 -0.52 0.00 0.00 37.83 34.65 1al6 s LYS 80 CO 0.59 -0.27 1.08 0.00 -0.92 0.00 0.00 175.35 175.83 1al6 s ALA 81 N -2.57 2.52 -0.03 5.17 0.00 -1.26 -4.87 121.76 120.72 1al6 s ALA 81 Ca 0.43 0.31 -0.30 0.00 0.00 0.00 0.00 51.96 52.41 1al6 s ALA 81 Cb -0.01 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 1al6 s ALA 81 CO 0.25 -1.30 2.02 0.41 0.00 0.00 0.00 175.76 177.15 1al6 n GLY 82 N -1.20 1.66 2.29 0.00 0.00 -1.26 0.53 105.19 107.22 1al6 n GLY 82 Ca 0.09 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.93 1al6 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1al6 n GLY 83 N 4.81 1.79 3.80 -0.02 0.00 -1.26 -5.03 105.19 109.29 1al6 n GLY 83 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 1al6 n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1al6 s GLY 84 N -1.92 1.58 0.00 -0.02 0.00 0.19 -5.03 107.32 102.12 1al6 s GLY 84 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.22 1al6 s GLY 84 CO 0.00 0.03 0.00 1.18 0.00 0.00 0.00 173.10 174.31 1al6 n GLU 85 N -3.66 2.89 -3.54 2.90 1.02 -1.26 -4.72 120.64 114.26 1al6 n GLU 85 Ca 0.07 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.86 1al6 n GLU 85 Cb 0.59 -0.91 -0.05 0.00 -0.02 0.00 0.00 31.44 31.05 1al6 n GLU 85 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1al6 s GLU 86 N -1.81 3.79 0.37 3.49 0.41 -1.26 -5.00 118.70 118.68 1al6 s GLU 86 Ca 0.00 0.21 -0.28 0.00 -0.41 0.00 0.00 54.97 54.49 1al6 s GLU 86 Cb 0.00 -2.97 -0.10 0.00 -1.78 0.00 0.00 34.13 29.28 1al6 s GLU 86 CO 0.00 0.54 1.36 -1.25 -0.49 0.00 0.00 175.26 175.42 1al6 s PRO 87 N -1.97 4.16 -0.01 0.39 0.04 -1.26 -4.18 135.00 132.17 1al6 s PRO 87 Ca 0.34 2.31 -0.29 0.00 0.04 0.00 0.00 61.00 63.40 1al6 s PRO 87 Cb -0.14 -2.94 -0.03 0.00 0.04 0.00 0.00 34.50 31.43 1al6 s PRO 87 CO 0.19 -0.39 0.93 -0.51 0.04 0.00 0.00 177.00 177.26 1al6 s LEU 88 N -2.08 4.36 0.56 -3.56 1.43 -0.84 -4.35 118.68 114.21 1al6 s LEU 88 Ca 0.53 1.59 0.25 0.00 -1.03 0.00 0.00 54.13 55.46 1al6 s LEU 88 Cb -0.41 -3.49 1.58 0.00 0.03 0.00 0.00 46.19 43.89 1al6 s LEU 88 CO 0.55 -0.23 2.16 1.55 0.23 0.00 0.00 176.35 180.61 1al6 h PRO 89 N 6.77 0.00 -0.67 1.29 0.13 -1.91 -1.56 132.00 136.04 1al6 h PRO 89 Ca -0.41 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.80 1al6 h PRO 89 Cb 1.22 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 1al6 h PRO 89 CO 0.75 0.00 0.33 0.93 -0.23 0.00 0.00 178.00 179.78 1al6 h GLU 90 N 0.00 0.56 -0.47 0.86 3.07 -1.94 -1.02 114.58 115.65 1al6 h GLU 90 Ca 0.04 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 58.78 1al6 h GLU 90 Cb 0.21 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 1al6 h GLU 90 CO -0.00 0.37 -0.07 0.78 -1.40 0.00 0.00 179.01 178.69 1al6 h GLY 91 N 0.58 0.89 1.01 -3.84 0.00 -1.63 -2.27 103.07 97.81 1al6 h GLY 91 Ca 0.32 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1al6 h GLY 91 CO -0.25 0.60 0.47 -2.00 0.00 0.00 0.00 176.54 175.35 1al6 h LEU 92 N 0.75 1.00 -0.30 3.11 5.85 -1.20 -1.16 115.31 123.36 1al6 h LEU 92 Ca 0.13 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1al6 h LEU 92 Cb 0.56 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1al6 h LEU 92 CO 0.03 0.79 0.16 0.15 -0.34 0.00 0.00 178.44 179.23 1al6 h PHE 93 N 1.13 0.29 -0.49 1.25 3.57 -0.77 0.27 116.94 122.19 1al6 h PHE 93 Ca 0.29 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.87 1al6 h PHE 93 Cb -0.01 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.59 1al6 h PHE 93 CO -0.00 0.16 0.16 2.35 -2.23 0.00 0.00 178.31 178.76 1al6 h TRP 94 N 0.33 0.28 -0.89 0.41 2.91 -1.09 -0.95 115.95 116.95 1al6 h TRP 94 Ca 0.12 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.15 1al6 h TRP 94 Cb 0.03 -0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 28.58 1al6 h TRP 94 CO -0.09 0.08 0.48 1.25 -1.03 0.00 0.00 178.44 179.14 1al6 h LEU 95 N 0.33 1.11 -0.55 0.65 5.85 -0.42 0.54 115.31 122.83 1al6 h LEU 95 Ca 0.24 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.74 1al6 h LEU 95 Cb 0.26 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1al6 h LEU 95 CO -0.25 0.89 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.53 1al6 h LEU 96 N 1.25 1.02 -0.11 2.25 3.38 0.06 0.55 115.31 123.72 1al6 h LEU 96 Ca 0.31 -0.35 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 1al6 h LEU 96 Cb 0.03 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.51 1al6 h LEU 96 CO -0.05 1.15 -0.56 0.58 0.09 0.00 0.00 178.44 179.65 1al6 h VAL 97 N 0.89 1.35 0.00 1.22 2.07 -0.80 -3.37 116.25 117.61 1al6 h VAL 97 Ca 0.13 -1.86 -0.00 0.00 0.82 0.00 0.00 66.70 65.79 1al6 h VAL 97 Cb 0.71 2.18 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1al6 h VAL 97 CO 0.05 0.56 -1.98 0.35 0.02 0.00 0.00 177.57 176.58 1al6 n THR 98 N -4.18 0.01 -0.80 2.57 -2.24 0.15 -4.96 114.28 104.83 1al6 n THR 98 Ca -0.08 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1al6 n THR 98 Cb 0.63 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1al6 n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1al6 n GLY 99 N 1.29 0.88 3.45 3.38 0.00 0.19 -5.01 105.19 109.36 1al6 n GLY 99 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1al6 n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1al6 s GLN 100 N -0.20 1.88 0.06 1.61 -0.21 -1.25 -5.02 119.66 116.53 1al6 s GLN 100 Ca 0.00 -1.10 -0.31 0.00 0.02 0.00 0.00 55.36 53.98 1al6 s GLN 100 Cb 0.00 -2.11 -0.07 0.00 1.00 0.00 0.00 33.01 31.83 1al6 s GLN 100 CO 0.00 0.51 1.37 0.42 -2.12 0.00 0.00 175.29 175.47 1al6 s ILE 101 N -0.99 3.58 0.59 1.08 1.01 -1.26 -3.76 121.20 121.44 1al6 s ILE 101 Ca 0.15 1.07 -0.08 0.00 0.00 0.00 0.00 60.65 61.80 1al6 s ILE 101 Cb -0.10 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.67 1al6 s ILE 101 CO 0.06 0.05 0.93 -2.16 0.00 0.00 0.00 174.94 173.82 1al6 s PRO 102 N 1.62 3.17 0.66 2.79 0.04 -1.26 -5.03 135.00 136.99 1al6 s PRO 102 Ca 0.63 0.25 -0.06 0.00 0.04 0.00 0.00 61.00 61.87 1al6 s PRO 102 Cb -0.34 -2.22 0.04 0.00 0.04 0.00 0.00 34.50 32.02 1al6 s PRO 102 CO 0.29 -0.62 0.96 0.95 0.04 0.00 0.00 177.00 178.62 1al6 s THR 103 N -3.03 2.78 0.36 1.26 -4.23 -1.26 -4.71 115.64 106.81 1al6 s THR 103 Ca 0.53 -0.19 0.15 0.00 -1.18 0.00 0.00 61.69 60.99 1al6 s THR 103 Cb -0.11 -3.16 0.12 0.00 1.34 0.00 0.00 72.50 70.70 1al6 s THR 103 CO 0.48 -0.16 1.85 -0.65 -0.54 0.00 0.00 174.62 175.60 1al6 h PRO 104 N -0.42 0.00 -0.58 3.99 0.11 -1.98 -0.18 132.00 132.95 1al6 h PRO 104 Ca -0.45 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.57 1al6 h PRO 104 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1al6 h PRO 104 CO 0.60 0.33 -0.02 0.93 -0.21 0.00 0.00 178.00 179.63 1al6 h GLU 105 N 0.00 1.03 -0.57 1.05 3.07 -1.99 0.14 114.58 117.32 1al6 h GLU 105 Ca -0.00 -0.34 -0.11 0.00 -0.50 0.00 0.00 59.36 58.41 1al6 h GLU 105 Cb 0.62 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 1al6 h GLU 105 CO 0.04 1.03 -0.07 1.96 -1.40 0.00 0.00 179.01 180.57 1al6 h GLN 106 N 0.92 1.05 -0.40 2.33 4.20 -1.73 -2.28 115.11 119.21 1al6 h GLN 106 Ca 0.16 -0.37 -0.00 0.00 0.06 0.00 0.00 58.65 58.50 1al6 h GLN 106 Cb 0.58 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 1al6 h GLN 106 CO 0.03 1.07 0.23 0.28 -0.67 0.00 0.00 178.83 179.77 1al6 h VAL 107 N 0.94 1.14 0.00 -0.54 2.07 -0.65 -1.21 116.25 118.00 1al6 h VAL 107 Ca 0.15 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1al6 h VAL 107 Cb 0.64 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1al6 h VAL 107 CO 0.04 0.14 -0.08 0.77 0.02 0.00 0.00 177.57 178.46 1al6 h SER 108 N 0.52 0.00 -0.25 0.57 4.64 -0.50 -1.52 113.55 117.01 1al6 h SER 108 Ca 0.14 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.30 1al6 h SER 108 Cb 0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1al6 h SER 108 CO -0.02 0.08 -0.46 -0.25 -0.87 0.00 0.00 176.83 175.31 1al6 h TRP 109 N 0.00 0.99 -0.53 4.77 7.01 -0.65 -1.49 115.95 126.04 1al6 h TRP 109 Ca -0.00 -0.32 -0.00 0.00 2.11 0.00 0.00 58.89 60.68 1al6 h TRP 109 Cb 0.21 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.04 1al6 h TRP 109 CO 0.00 1.12 0.32 0.28 -2.79 0.00 0.00 178.44 177.37 1al6 h VAL 110 N 0.65 1.16 -0.91 2.65 2.07 -0.78 0.48 116.25 121.57 1al6 h VAL 110 Ca 0.04 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.22 1al6 h VAL 110 Cb 1.03 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1al6 h VAL 110 CO 0.10 0.17 0.59 0.28 0.02 0.00 0.00 177.57 178.73 1al6 h SER 111 N 0.72 1.00 -0.33 0.57 0.02 -1.14 0.65 113.55 115.04 1al6 h SER 111 Ca 0.19 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.03 1al6 h SER 111 Cb -0.01 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1al6 h SER 111 CO -0.04 0.70 -0.16 0.11 -1.14 0.00 0.00 176.83 176.30 1al6 h LYS 112 N 1.18 0.70 -0.23 3.45 1.57 -0.78 -1.47 116.57 120.99 1al6 h LYS 112 Ca 0.35 -0.31 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1al6 h LYS 112 Cb -0.05 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 1al6 h LYS 112 CO -0.10 0.91 0.00 1.49 -0.57 0.00 0.00 179.45 181.17 1al6 h GLU 113 N 0.47 0.07 -0.56 3.15 4.57 -0.48 0.39 114.58 122.19 1al6 h GLU 113 Ca 0.07 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 1al6 h GLU 113 Cb 0.70 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.25 1al6 h GLU 113 CO 0.05 0.05 0.21 -1.49 -1.18 0.00 0.00 179.01 176.64 1al6 h TRP 114 N 0.07 0.82 -0.49 0.92 6.55 -0.80 -1.49 115.95 121.53 1al6 h TRP 114 Ca 0.11 -0.05 -0.09 0.00 0.95 0.00 0.00 58.89 59.81 1al6 h TRP 114 Cb 0.14 -0.25 -0.02 0.00 -0.86 0.00 0.00 29.16 28.17 1al6 h TRP 114 CO -0.19 0.65 -0.06 0.00 -1.05 0.00 0.00 178.44 177.79 1al6 h ALA 115 N 1.42 0.67 -0.81 1.49 0.00 -0.29 -2.94 119.26 118.80 1al6 h ALA 115 Ca 0.19 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1al6 h ALA 115 Cb 0.19 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1al6 h ALA 115 CO -0.01 0.53 0.45 0.87 0.00 0.00 0.00 179.25 181.08 1al6 h LYS 116 N 0.76 1.13 -0.00 0.00 1.57 0.17 -3.03 116.57 117.16 1al6 h LYS 116 Ca 0.13 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1al6 h LYS 116 Cb 0.60 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1al6 h LYS 116 CO 0.04 0.83 -0.06 0.54 -0.57 0.00 0.00 179.45 180.22 1al6 n ARG 117 N -4.41 0.56 -2.24 3.15 1.74 -0.60 -4.87 116.66 110.00 1al6 n ARG 117 Ca 0.08 -0.11 -0.43 0.00 -0.77 0.00 0.00 57.85 56.62 1al6 n ARG 117 Cb 0.09 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.01 1al6 n ARG 117 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1al6 s ALA 118 N -2.52 3.19 -0.28 7.54 0.00 -1.12 -4.70 121.76 123.87 1al6 s ALA 118 Ca 0.29 0.19 -0.25 0.00 0.00 0.00 0.00 51.96 52.19 1al6 s ALA 118 Cb 0.20 -3.87 0.12 0.00 0.00 0.00 0.00 23.12 19.57 1al6 s ALA 118 CO 0.47 -2.10 1.02 0.00 0.00 0.00 0.00 175.76 175.15 1al6 s ALA 119 N 5.26 -1.96 -0.04 0.00 0.00 -1.26 -5.02 121.76 118.74 1al6 s ALA 119 Ca 0.66 1.87 0.03 0.00 0.00 0.00 0.00 51.96 54.52 1al6 s ALA 119 Cb -0.20 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 1al6 s ALA 119 CO 0.29 -0.24 -0.11 -0.51 0.00 0.00 0.00 175.76 175.19 1al6 s LEU 120 N 0.19 2.95 0.48 0.00 1.43 -1.26 -4.91 118.68 117.56 1al6 s LEU 120 Ca 0.03 -0.15 -0.20 0.00 -1.03 0.00 0.00 54.13 52.78 1al6 s LEU 120 Cb -0.05 -1.65 -0.09 0.00 0.03 0.00 0.00 46.19 44.43 1al6 s LEU 120 CO -0.06 0.33 1.00 -2.16 0.23 0.00 0.00 176.35 175.69 1al6 s PRO 121 N -0.96 3.94 0.33 1.29 0.04 -1.26 -4.91 135.00 133.47 1al6 s PRO 121 Ca 0.13 1.21 0.01 0.00 0.04 0.00 0.00 61.00 62.40 1al6 s PRO 121 Cb -0.11 -2.13 0.57 0.00 0.04 0.00 0.00 34.50 32.87 1al6 s PRO 121 CO 0.03 -0.29 1.95 0.66 0.04 0.00 0.00 177.00 179.38 1al6 h SER 122 N 1.53 0.71 -0.66 6.66 4.64 -1.99 -1.33 113.55 123.11 1al6 h SER 122 Ca -0.49 -0.06 0.04 0.00 -0.47 0.00 0.00 61.79 60.81 1al6 h SER 122 Cb 1.20 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 63.07 1al6 h SER 122 CO 0.60 0.59 0.44 1.12 -0.87 0.00 0.00 176.83 178.71 1al6 h HIS 123 N 0.80 0.75 -0.16 4.77 2.07 -1.99 0.14 115.15 121.53 1al6 h HIS 123 Ca 0.20 0.02 -0.22 0.00 -2.85 0.00 0.00 60.37 57.52 1al6 h HIS 123 Cb 0.05 -0.25 0.01 0.00 2.57 0.00 0.00 27.41 29.80 1al6 h HIS 123 CO 0.01 0.43 -0.77 0.28 -3.07 0.00 0.00 177.93 174.80 1al6 h VAL 124 N 0.77 1.27 -0.88 6.12 2.07 -1.63 -2.20 116.25 121.77 1al6 h VAL 124 Ca 0.27 -1.96 -0.00 0.00 0.82 0.00 0.00 66.70 65.82 1al6 h VAL 124 Cb 0.10 1.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 1al6 h VAL 124 CO -0.08 0.62 0.54 0.58 0.02 0.00 0.00 177.57 179.26 1al6 h VAL 125 N 0.55 1.24 -0.52 2.57 2.07 -0.83 -1.95 116.25 119.38 1al6 h VAL 125 Ca -0.05 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1al6 h VAL 125 Cb 1.40 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1al6 h VAL 125 CO 0.16 0.25 0.30 0.74 0.02 0.00 0.00 177.57 179.04 1al6 h THR 126 N 1.21 1.17 -0.33 2.57 2.02 -0.68 -1.09 112.91 117.78 1al6 h THR 126 Ca 0.32 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1al6 h THR 126 Cb -0.06 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 1al6 h THR 126 CO -0.06 0.18 0.21 -0.03 0.37 0.00 0.00 175.52 176.19 1al6 h MET 127 N 0.70 0.44 -0.44 6.66 -1.53 -1.01 -1.20 114.93 118.55 1al6 h MET 127 Ca 0.19 -0.03 -0.04 0.00 -3.44 0.00 0.00 59.70 56.38 1al6 h MET 127 Cb 0.02 -0.10 -0.02 0.00 -0.55 0.00 0.00 31.60 30.96 1al6 h MET 127 CO -0.03 0.31 0.12 -0.07 0.14 0.00 0.00 176.91 177.38 1al6 h LEU 128 N 0.44 0.65 -2.28 3.39 3.38 -1.08 -2.15 115.31 117.65 1al6 h LEU 128 Ca 0.12 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1al6 h LEU 128 Cb -0.03 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1al6 h LEU 128 CO -0.02 0.70 -0.02 0.44 0.09 0.00 0.00 178.44 179.62 1al6 h ASP 129 N 0.57 0.00 0.16 -0.43 3.32 -1.01 -2.50 116.42 116.53 1al6 h ASP 129 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1al6 h ASP 129 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1al6 h ASP 129 CO -0.00 0.02 -0.64 0.59 -1.72 0.00 0.00 179.24 177.50 1al6 n ASN 130 N -3.22 1.10 -4.76 6.45 5.03 -0.47 -4.96 115.26 114.43 1al6 n ASN 130 Ca -0.02 -0.90 -0.38 0.00 0.87 0.00 0.00 54.58 54.15 1al6 n ASN 130 Cb 0.18 0.55 0.01 0.00 -1.02 0.00 0.00 39.78 39.50 1al6 n ASN 130 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1al6 s PHE 131 N -2.80 2.58 0.52 3.10 0.08 -0.94 -5.00 117.98 115.52 1al6 s PHE 131 Ca 0.14 1.42 -0.18 0.00 0.12 0.00 0.00 56.93 58.43 1al6 s PHE 131 Cb 0.17 -3.66 -0.07 0.00 -0.57 0.00 0.00 43.02 38.89 1al6 s PHE 131 CO 0.70 -2.32 1.01 -1.25 -0.10 0.00 0.00 175.22 173.27 1al6 s PRO 132 N -2.67 3.76 0.15 0.24 0.04 -1.26 -4.93 135.00 130.33 1al6 s PRO 132 Ca 0.65 1.15 0.21 0.00 0.04 0.00 0.00 61.00 63.06 1al6 s PRO 132 Cb -0.37 -2.10 0.87 0.00 0.04 0.00 0.00 34.50 32.94 1al6 s PRO 132 CO 0.45 -0.44 1.66 0.25 0.04 0.00 0.00 177.00 178.96 1al6 n THR 133 N -1.42 0.79 0.79 1.26 -2.24 -1.26 -2.09 114.28 110.11 1al6 n THR 133 Ca 0.08 0.16 0.09 0.00 -2.27 0.00 0.00 64.05 62.10 1al6 n THR 133 Cb 0.53 -0.99 0.25 0.00 -2.10 0.00 0.00 70.33 68.02 1al6 n THR 133 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1al6 n ASN 134 N -1.95 2.21 -4.60 3.42 6.94 -1.26 -4.78 115.26 115.24 1al6 n ASN 134 Ca 0.03 -1.90 -0.41 0.00 -0.02 0.00 0.00 54.58 52.28 1al6 n ASN 134 Cb 0.24 -0.22 -0.07 0.00 -2.36 0.00 0.00 39.78 37.36 1al6 n ASN 134 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1al6 s LEU 135 N -1.24 4.15 0.37 -4.53 2.96 -0.89 -5.01 118.68 114.50 1al6 s LEU 135 Ca 0.31 0.34 -0.25 0.00 -0.22 0.00 0.00 54.13 54.31 1al6 s LEU 135 Cb 0.17 -2.67 -0.12 0.00 0.50 0.00 0.00 46.19 44.06 1al6 s LEU 135 CO 0.23 -0.38 0.95 1.57 -1.32 0.00 0.00 176.35 177.39 1al6 n HIS 136 N 5.68 0.99 -0.34 5.38 -0.00 -1.26 -4.70 115.22 120.96 1al6 n HIS 136 Ca -0.04 0.62 0.09 0.00 -0.00 0.00 0.00 57.72 58.39 1al6 n HIS 136 Cb 0.49 -2.20 0.28 0.00 -0.00 0.00 0.00 29.99 28.56 1al6 n HIS 136 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1al6 h PRO 137 N 1.61 0.89 -0.14 1.57 0.11 -1.95 0.49 132.00 134.57 1al6 h PRO 137 Ca -0.42 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 1al6 h PRO 137 Cb 1.35 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1al6 h PRO 137 CO 0.57 0.59 -0.36 0.52 -0.21 0.00 0.00 178.00 179.11 1al6 h MET 138 N 0.91 0.28 -0.32 1.05 2.86 -1.90 0.26 114.93 118.08 1al6 h MET 138 Ca 0.50 -0.12 -0.15 0.00 -2.06 0.00 0.00 59.70 57.86 1al6 h MET 138 Cb 0.58 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 1al6 h MET 138 CO -0.26 0.61 -0.40 0.77 1.06 0.00 0.00 176.91 178.68 1al6 h SER 139 N 0.24 0.91 -0.98 1.22 0.02 -1.44 -0.68 113.55 112.85 1al6 h SER 139 Ca 0.03 -0.49 0.01 0.00 -0.84 0.00 0.00 61.79 60.50 1al6 h SER 139 Cb 0.75 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.98 1al6 h SER 139 CO 0.06 1.22 0.65 1.56 -1.14 0.00 0.00 176.83 179.18 1al6 h GLN 140 N 0.62 1.27 0.01 3.45 4.20 -0.46 -1.44 115.11 122.76 1al6 h GLN 140 Ca 0.04 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1al6 h GLN 140 Cb 1.00 -0.29 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1al6 h GLN 140 CO 0.10 0.84 -0.00 1.25 -0.67 0.00 0.00 178.83 180.34 1al6 h LEU 141 N 1.31 -0.01 -0.50 1.46 5.85 -0.71 -1.20 115.31 121.52 1al6 h LEU 141 Ca 0.36 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1al6 h LEU 141 Cb -0.13 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1al6 h LEU 141 CO -0.08 0.27 0.25 -1.28 -0.34 0.00 0.00 178.44 177.25 1al6 h SER 142 N -0.29 0.64 -0.55 1.25 0.87 -1.04 -1.61 113.55 112.82 1al6 h SER 142 Ca -0.00 -0.12 0.02 0.00 -1.23 0.00 0.00 61.79 60.46 1al6 h SER 142 Cb 0.28 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.04 1al6 h SER 142 CO 0.00 0.58 0.33 0.00 -0.53 0.00 0.00 176.83 177.22 1al6 h ALA 143 N 1.09 0.71 -0.52 6.23 0.00 -1.21 -0.95 119.26 124.60 1al6 h ALA 143 Ca 0.17 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1al6 h ALA 143 Cb 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1al6 h ALA 143 CO -0.02 0.05 0.34 0.00 0.00 0.00 0.00 179.25 179.62 1al6 h ALA 144 N 1.24 0.65 -0.52 0.00 0.00 -0.76 0.06 119.26 119.94 1al6 h ALA 144 Ca 0.22 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1al6 h ALA 144 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1al6 h ALA 144 CO -0.10 0.09 0.19 0.82 0.00 0.00 0.00 179.25 180.26 1al6 h ILE 145 N 0.69 1.22 -0.29 0.00 2.04 -1.05 -1.16 117.51 118.96 1al6 h ILE 145 Ca 0.19 -0.71 0.04 0.00 1.00 0.00 0.00 64.86 65.38 1al6 h ILE 145 Cb -0.07 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 1al6 h ILE 145 CO -0.05 0.27 0.08 0.74 0.00 0.00 0.00 178.15 179.19 1al6 h THR 146 N 0.70 0.89 -0.00 -0.27 2.02 -0.92 -2.02 112.91 113.31 1al6 h THR 146 Ca 0.17 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1al6 h THR 146 Cb 0.22 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1al6 h THR 146 CO -0.01 0.04 0.01 0.00 0.37 0.00 0.00 175.52 175.92 1al6 h ALA 147 N 1.20 1.32 0.00 6.16 0.00 -0.54 -1.53 119.26 125.87 1al6 h ALA 147 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1al6 h ALA 147 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1al6 h ALA 147 CO -0.16 -0.01 0.00 -0.07 0.00 0.00 0.00 179.25 179.01 1al6 h LEU 148 N 0.00 0.00 -0.30 0.00 3.38 -0.45 -3.28 115.31 114.66 1al6 h LEU 148 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1al6 h LEU 148 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1al6 h LEU 148 CO -0.00 0.00 0.01 -0.46 0.09 0.00 0.00 178.44 178.08 1al6 n ASN 149 N -2.35 0.12 0.31 -0.43 2.04 -0.58 -0.72 115.26 113.65 1al6 n ASN 149 Ca 0.04 0.54 0.20 0.00 -0.44 0.00 0.00 54.58 54.92 1al6 n ASN 149 Cb 0.34 -0.56 1.00 0.00 -2.53 0.00 0.00 39.78 38.03 1al6 n ASN 149 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 1al6 h SER 150 N 0.00 0.00 -0.14 0.53 4.64 -1.81 -0.48 113.55 116.30 1al6 h SER 150 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1al6 h SER 150 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1al6 h SER 150 CO 0.00 0.01 0.00 -0.62 -0.87 0.00 0.00 176.83 175.35 1al6 n GLU 151 N -3.18 2.16 -1.69 4.77 -0.58 0.10 -4.98 120.64 117.25 1al6 n GLU 151 Ca -0.02 -1.72 -0.44 0.00 -0.42 0.00 0.00 57.16 54.57 1al6 n GLU 151 Cb 0.16 -1.47 -0.04 0.00 -0.57 0.00 0.00 31.44 29.53 1al6 n GLU 151 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1al6 n SER 152 N 1.01 3.65 0.08 1.62 2.88 -0.19 -4.86 113.62 117.81 1al6 n SER 152 Ca 0.17 1.04 -0.12 0.00 -1.33 0.00 0.00 58.87 58.62 1al6 n SER 152 Cb 0.52 -1.49 -0.13 0.00 -0.75 0.00 0.00 64.21 62.35 1al6 n SER 152 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1al6 h ASN 153 N 7.28 0.25 -0.32 -3.46 -0.26 -1.90 -2.92 115.58 114.24 1al6 h ASN 153 Ca -0.45 -0.27 -0.06 0.00 -0.56 0.00 0.00 56.30 54.95 1al6 h ASN 153 Cb 1.23 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 38.40 1al6 h ASN 153 CO 0.93 1.22 -0.02 0.15 -1.06 0.00 0.00 177.43 178.64 1al6 h PHE 154 N 0.04 0.65 -0.92 1.19 3.57 -1.89 -0.07 116.94 119.51 1al6 h PHE 154 Ca -0.10 -0.12 0.02 0.00 3.53 0.00 0.00 57.97 61.30 1al6 h PHE 154 Cb 1.90 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 40.42 1al6 h PHE 154 CO 0.04 0.73 0.61 0.00 -2.23 0.00 0.00 178.31 177.45 1al6 h ALA 155 N 0.83 1.38 -0.19 2.41 0.00 -1.93 -0.44 119.26 121.33 1al6 h ALA 155 Ca 0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1al6 h ALA 155 Cb 0.49 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1al6 h ALA 155 CO 0.02 0.55 -0.03 -0.09 0.00 0.00 0.00 179.25 179.70 1al6 h ARG 156 N 1.20 0.36 -0.77 0.00 2.43 -1.31 -1.80 114.38 114.48 1al6 h ARG 156 Ca 0.35 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.35 1al6 h ARG 156 Cb -0.06 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1al6 h ARG 156 CO -0.09 0.59 0.31 0.00 -1.51 0.00 0.00 179.97 179.27 1al6 h ALA 157 N 0.75 1.00 -0.25 2.80 0.00 -0.63 -2.15 119.26 120.78 1al6 h ALA 157 Ca 0.05 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1al6 h ALA 157 Cb 0.45 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1al6 h ALA 157 CO 0.01 0.62 0.12 -0.92 0.00 0.00 0.00 179.25 179.09 1al6 h TYR 158 N 1.11 0.23 0.00 0.00 5.03 -0.94 -1.05 116.97 121.35 1al6 h TYR 158 Ca 0.26 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.57 1al6 h TYR 158 Cb 0.21 -0.07 -0.00 0.00 1.55 0.00 0.00 36.73 38.42 1al6 h TYR 158 CO 0.02 0.13 -0.01 0.00 -1.32 0.00 0.00 178.16 176.98 1al6 h ALA 159 N 1.13 1.48 0.00 1.82 0.00 -1.06 -1.09 119.26 121.53 1al6 h ALA 159 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1al6 h ALA 159 Cb 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1al6 h ALA 159 CO -0.07 0.01 -0.09 0.39 0.00 0.00 0.00 179.25 179.49 1al6 n GLU 160 N -3.79 0.03 -0.24 0.00 4.71 -0.43 -4.92 120.64 115.99 1al6 n GLU 160 Ca -0.03 0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 1al6 n GLU 160 Cb 0.09 -1.53 0.00 0.00 -1.01 0.00 0.00 31.44 28.99 1al6 n GLU 160 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1al6 n GLY 161 N 1.48 0.87 3.55 0.62 0.00 -0.41 -5.03 105.19 106.26 1al6 n GLY 161 Ca 0.07 -0.26 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 1al6 n GLY 161 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1al6 n ILE 162 N -2.23 2.03 -2.09 -0.61 0.13 -1.05 -4.87 119.36 110.68 1al6 n ILE 162 Ca 0.00 -0.50 -0.41 0.00 -1.10 0.00 0.00 62.75 60.74 1al6 n ILE 162 Cb 0.00 -0.83 -0.02 0.00 -0.84 0.00 0.00 39.64 37.95 1al6 n ILE 162 CO 0.00 0.00 0.00 0.21 2.80 0.00 0.00 176.55 179.56 1al6 s ASN 163 N -0.72 6.74 0.47 9.51 3.84 -1.26 -4.88 114.94 128.64 1al6 s ASN 163 Ca 0.61 2.70 0.24 0.00 0.21 0.00 0.00 52.86 56.62 1al6 s ASN 163 Cb -0.68 -2.65 1.26 0.00 -0.55 0.00 0.00 41.25 38.64 1al6 s ASN 163 CO 0.59 -0.57 1.86 0.08 -2.79 0.00 0.00 177.10 176.27 1al6 h ARG 164 N 3.52 0.22 0.00 0.43 0.11 -2.03 -1.19 114.38 115.44 1al6 h ARG 164 Ca -0.49 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1al6 h ARG 164 Cb 1.23 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.26 1al6 h ARG 164 CO 0.66 0.15 0.04 1.79 0.10 0.00 0.00 179.97 182.71 1al6 h THR 165 N 0.23 0.00 -0.29 0.08 1.35 -1.96 -2.27 112.91 110.05 1al6 h THR 165 Ca 0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.33 1al6 h THR 165 Cb 1.46 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1al6 h THR 165 CO -0.12 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.44 1al6 n LYS 166 N -2.73 2.41 -0.23 4.72 5.02 -0.45 -4.54 118.16 122.36 1al6 n LYS 166 Ca -0.02 -2.17 0.01 0.00 -2.02 0.00 0.00 58.31 54.11 1al6 n LYS 166 Cb 0.09 -1.49 0.09 0.00 -0.02 0.00 0.00 35.03 33.70 1al6 n LYS 166 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1al6 h TYR 167 N 4.43 -0.28 -1.01 2.13 0.05 -1.55 -1.51 116.97 119.24 1al6 h TYR 167 Ca 0.00 0.06 0.25 0.00 0.05 0.00 0.00 58.73 59.08 1al6 h TYR 167 Cb 0.97 0.23 -0.09 0.00 1.01 0.00 0.00 36.73 38.85 1al6 h TYR 167 CO 0.18 -0.27 0.65 0.11 -1.05 0.00 0.00 178.16 177.78 1al6 h TRP 168 N 0.03 0.65 -0.68 4.88 5.08 -1.81 -0.60 115.95 123.50 1al6 h TRP 168 Ca 0.34 0.02 -0.04 0.00 1.08 0.00 0.00 58.89 60.29 1al6 h TRP 168 Cb 0.53 -0.19 -0.03 0.00 -3.00 0.00 0.00 29.16 26.47 1al6 h TRP 168 CO -0.51 0.10 0.27 0.93 -1.28 0.00 0.00 178.44 177.95 1al6 h GLU 169 N 0.42 1.01 0.01 0.12 5.08 -1.61 0.28 114.58 119.90 1al6 h GLU 169 Ca 0.56 -0.18 -0.20 0.00 -1.00 0.00 0.00 59.36 58.54 1al6 h GLU 169 Cb 1.38 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1al6 h GLU 169 CO -0.27 0.84 -0.90 0.74 -1.00 0.00 0.00 179.01 178.42 1al6 h PHE 170 N 0.96 0.18 -0.69 4.33 -1.00 -1.25 -2.96 116.94 116.52 1al6 h PHE 170 Ca 0.23 -0.11 -0.05 0.00 2.81 0.00 0.00 57.97 60.85 1al6 h PHE 170 Cb 0.20 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 39.72 1al6 h PHE 170 CO 0.01 0.95 0.23 0.28 -1.61 0.00 0.00 178.31 178.18 1al6 h VAL 171 N 0.06 1.25 -0.55 -0.55 2.07 -0.93 -2.04 116.25 115.55 1al6 h VAL 171 Ca -0.04 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 66.68 1al6 h VAL 171 Cb 1.56 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1al6 h VAL 171 CO 0.13 0.33 0.30 0.22 0.02 0.00 0.00 177.57 178.57 1al6 h TYR 172 N 1.00 0.56 0.01 1.57 5.03 -0.91 0.14 116.97 124.36 1al6 h TYR 172 Ca 0.22 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.55 1al6 h TYR 172 Cb 0.28 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.39 1al6 h TYR 172 CO 0.02 0.28 -0.01 0.93 -1.32 0.00 0.00 178.16 178.07 1al6 h GLU 173 N 0.58 -0.02 -0.64 1.82 4.39 -1.30 -1.12 114.58 118.29 1al6 h GLU 173 Ca 0.24 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.92 1al6 h GLU 173 Cb 0.11 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1al6 h GLU 173 CO -0.15 0.14 0.31 -0.44 -1.16 0.00 0.00 179.01 177.71 1al6 h ASP 174 N -0.17 0.82 -0.19 1.42 3.32 -1.24 -0.19 116.42 120.19 1al6 h ASP 174 Ca -0.00 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1al6 h ASP 174 Cb 0.16 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1al6 h ASP 174 CO 0.00 0.69 0.11 0.00 -1.72 0.00 0.00 179.24 178.32 1al6 h ALA 175 N 1.44 0.24 -0.70 3.45 0.00 -0.45 0.37 119.26 123.60 1al6 h ALA 175 Ca 0.22 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1al6 h ALA 175 Cb 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1al6 h ALA 175 CO -0.03 -0.24 0.22 0.52 0.00 0.00 0.00 179.25 179.71 1al6 h MET 176 N 0.21 1.09 -0.59 0.00 2.86 -0.96 -0.85 114.93 116.68 1al6 h MET 176 Ca 0.07 -0.23 -0.08 0.00 -2.06 0.00 0.00 59.70 57.40 1al6 h MET 176 Cb 0.04 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 1al6 h MET 176 CO -0.01 0.92 0.07 -0.44 1.06 0.00 0.00 176.91 178.51 1al6 h ASP 177 N 1.04 0.96 -0.28 1.22 3.32 -0.64 -1.98 116.42 120.07 1al6 h ASP 177 Ca 0.23 -0.27 -0.17 0.00 0.02 0.00 0.00 57.03 56.84 1al6 h ASP 177 Cb 0.29 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1al6 h ASP 177 CO -0.01 0.99 -0.46 0.25 -1.72 0.00 0.00 179.24 178.29 1al6 h LEU 178 N 0.89 0.92 -0.89 1.55 5.85 -0.02 -1.08 115.31 122.53 1al6 h LEU 178 Ca 0.18 -0.45 -0.07 0.00 0.84 0.00 0.00 57.88 58.37 1al6 h LEU 178 Cb 0.46 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1al6 h LEU 178 CO 0.02 1.23 0.02 0.40 -0.34 0.00 0.00 178.44 179.77 1al6 h ILE 179 N 0.67 1.24 -0.55 4.05 2.04 -1.12 -0.89 117.51 122.95 1al6 h ILE 179 Ca 0.04 -1.00 -0.08 0.00 1.00 0.00 0.00 64.86 64.82 1al6 h ILE 179 Cb 1.04 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1al6 h ILE 179 CO 0.10 0.36 0.03 0.00 0.00 0.00 0.00 178.15 178.64 1al6 h ALA 180 N 1.23 1.00 0.00 1.87 0.00 -0.98 -3.17 119.26 119.21 1al6 h ALA 180 Ca 0.15 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1al6 h ALA 180 Cb 0.44 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1al6 h ALA 180 CO 0.02 0.62 -0.44 0.87 0.00 0.00 0.00 179.25 180.31 1al6 h LYS 181 N 0.87 0.00 -0.69 0.00 1.57 -0.56 -3.38 116.57 114.37 1al6 h LYS 181 Ca 0.17 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.06 1al6 h LYS 181 Cb 0.47 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.65 1al6 h LYS 181 CO 0.02 0.29 -0.34 -0.07 -0.57 0.00 0.00 179.45 178.78 1al6 h LEU 182 N 0.00 -1.22 -1.59 2.94 3.38 -1.16 0.21 115.31 117.88 1al6 h LEU 182 Ca -0.02 0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1al6 h LEU 182 Cb 1.25 0.62 -0.01 0.00 0.09 0.00 0.00 40.66 42.61 1al6 h LEU 182 CO 0.04 -0.30 0.03 -0.65 0.09 0.00 0.00 178.44 177.65 1al6 h PRO 183 N -0.12 0.29 -0.34 1.13 0.11 -1.77 0.20 132.00 131.50 1al6 h PRO 183 Ca 0.26 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.26 1al6 h PRO 183 Cb 0.56 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1al6 h PRO 183 CO -0.76 0.29 -0.08 0.00 -0.21 0.00 0.00 178.00 177.25 1al6 h VAL 185 N 0.45 0.78 -0.65 0.00 2.07 -0.68 -0.48 116.25 117.74 1al6 h VAL 185 Ca 0.09 -0.35 0.08 0.00 0.82 0.00 0.00 66.70 67.34 1al6 h VAL 185 Cb 0.58 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 1al6 h VAL 185 CO 0.03 0.08 0.33 0.00 0.02 0.00 0.00 177.57 178.03 1al6 h ALA 186 N 0.15 0.88 -0.08 1.67 0.00 -0.56 -1.85 119.26 119.47 1al6 h ALA 186 Ca -0.04 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1al6 h ALA 186 Cb 0.40 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1al6 h ALA 186 CO 0.06 -0.05 -0.49 0.00 0.00 0.00 0.00 179.25 178.77 1al6 h ALA 187 N 1.38 1.03 -0.35 0.00 0.00 -0.60 -2.20 119.26 118.51 1al6 h ALA 187 Ca 0.31 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1al6 h ALA 187 Cb 0.28 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1al6 h ALA 187 CO -0.23 0.65 -0.03 -0.22 0.00 0.00 0.00 179.25 179.41 1al6 h LYS 188 N 0.16 0.57 -0.42 0.00 3.64 -0.41 -1.76 116.57 118.34 1al6 h LYS 188 Ca 0.01 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 1al6 h LYS 188 Cb 0.93 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 1al6 h LYS 188 CO 0.07 0.61 0.13 0.82 -2.27 0.00 0.00 179.45 178.82 1al6 h ILE 189 N 0.54 1.22 -0.20 2.00 2.04 -0.94 -0.78 117.51 121.38 1al6 h ILE 189 Ca 0.11 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.28 1al6 h ILE 189 Cb 0.39 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1al6 h ILE 189 CO 0.02 0.25 0.05 0.22 0.00 0.00 0.00 178.15 178.69 1al6 h TYR 190 N 0.53 0.10 -0.53 1.37 3.20 -1.02 -0.93 116.97 119.69 1al6 h TYR 190 Ca 0.13 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 1al6 h TYR 190 Cb 0.26 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 1al6 h TYR 190 CO 0.01 0.04 0.03 0.00 -1.64 0.00 0.00 178.16 176.60 1al6 h ARG 191 N 0.14 0.91 -0.58 1.82 2.47 -1.26 0.25 114.38 118.14 1al6 h ARG 191 Ca 0.09 -0.28 -0.07 0.00 -1.26 0.00 0.00 59.98 58.46 1al6 h ARG 191 Cb 0.07 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.27 1al6 h ARG 191 CO -0.10 0.92 0.08 -0.91 0.56 0.00 0.00 179.97 180.52 1al6 h ASN 192 N 0.79 0.89 0.13 7.04 -0.26 -0.88 0.30 115.58 123.60 1al6 h ASN 192 Ca 0.15 -0.20 -0.22 0.00 -0.56 0.00 0.00 56.30 55.47 1al6 h ASN 192 Cb 0.49 -0.24 0.01 0.00 -1.06 0.00 0.00 38.32 37.52 1al6 h ASN 192 CO 0.02 0.91 -1.06 -0.07 -1.06 0.00 0.00 177.43 176.17 1al6 h LEU 193 N 0.88 0.42 -0.51 1.61 4.07 -1.07 -3.39 115.31 117.33 1al6 h LEU 193 Ca 0.18 -0.90 0.00 0.00 0.08 0.00 0.00 57.88 57.24 1al6 h LEU 193 Cb 0.41 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.01 1al6 h LEU 193 CO 0.01 1.49 -0.20 -1.22 -1.08 0.00 0.00 178.44 177.44 1al6 n TYR 194 N -4.05 0.00 -2.72 1.13 4.01 0.88 -4.68 117.16 111.74 1al6 n TYR 194 Ca -0.19 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.49 1al6 n TYR 194 Cb 0.85 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.92 1al6 n TYR 194 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1al6 n ARG 195 N -0.54 1.52 -1.59 -0.72 5.12 0.99 -4.97 116.66 116.47 1al6 n ARG 195 Ca 0.03 -3.42 -0.55 0.00 -1.93 0.00 0.00 57.85 51.98 1al6 n ARG 195 Cb 0.14 -1.45 -0.07 0.00 -1.16 0.00 0.00 32.46 29.92 1al6 n ARG 195 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1al6 n ALA 196 N -0.32 -1.56 0.00 7.54 0.00 -0.78 -2.03 120.51 123.35 1al6 n ALA 196 Ca 0.10 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1al6 n ALA 196 Cb 0.81 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1al6 n ALA 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1al6 n GLY 197 N 2.52 0.44 4.02 0.00 0.00 -1.26 -5.08 105.19 105.83 1al6 n GLY 197 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 1al6 n GLY 197 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1al6 s SER 198 N -1.89 5.32 0.09 1.61 1.04 -0.86 -5.13 113.70 113.87 1al6 s SER 198 Ca 0.00 -0.68 0.07 0.00 0.48 0.00 0.00 55.95 55.83 1al6 s SER 198 Cb 0.00 -0.11 -0.03 0.00 0.10 0.00 0.00 66.02 65.98 1al6 s SER 198 CO 0.00 -1.09 -0.19 -0.55 0.98 0.00 0.00 173.24 172.39 1al6 s SER 199 N -4.52 2.30 0.49 7.02 0.15 -1.26 -4.91 113.70 112.97 1al6 s SER 199 Ca 0.58 -0.64 0.28 0.00 0.70 0.00 0.00 55.95 56.88 1al6 s SER 199 Cb -0.07 -0.13 0.93 0.00 -1.71 0.00 0.00 66.02 65.04 1al6 s SER 199 CO 0.36 0.04 1.82 0.16 1.20 0.00 0.00 173.24 176.82 1al6 h ILE 200 N 4.17 0.11 0.00 6.45 3.07 -1.92 -3.49 117.51 125.91 1al6 h ILE 200 Ca -0.44 -0.82 0.00 0.00 1.55 0.00 0.00 64.86 65.15 1al6 h ILE 200 Cb 1.18 1.74 0.00 0.00 -0.27 0.00 0.00 36.82 39.47 1al6 h ILE 200 CO 0.40 0.05 0.00 0.61 -1.05 0.00 0.00 178.15 178.16 1al6 n GLY 201 N 0.43 -1.60 3.60 0.16 0.00 -1.26 -4.33 105.19 102.18 1al6 n GLY 201 Ca 0.02 -1.44 -0.24 0.00 0.00 0.00 0.00 46.02 44.36 1al6 n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1al6 s ALA 202 N -1.18 3.08 0.24 4.61 0.00 -1.26 -5.08 121.76 122.17 1al6 s ALA 202 Ca 0.00 -1.81 -0.30 0.00 0.00 0.00 0.00 51.96 49.85 1al6 s ALA 202 Cb 0.00 -0.51 -0.09 0.00 0.00 0.00 0.00 23.12 22.52 1al6 s ALA 202 CO 0.00 0.20 0.93 0.42 0.00 0.00 0.00 175.76 177.31 1al6 s ILE 203 N -2.44 4.09 -0.39 0.00 1.09 -1.26 -4.97 121.20 117.32 1al6 s ILE 203 Ca 0.32 2.06 -0.12 0.00 -1.10 0.00 0.00 60.65 61.81 1al6 s ILE 203 Cb -0.04 -4.31 0.03 0.00 -1.06 0.00 0.00 42.46 37.09 1al6 s ILE 203 CO 0.19 0.48 0.24 -0.62 -0.10 0.00 0.00 174.94 175.13 1al6 s ASP 204 N -1.20 5.82 0.00 3.58 -1.08 -1.26 -4.94 116.67 117.59 1al6 s ASP 204 Ca 0.41 -1.05 0.00 0.00 -0.52 0.00 0.00 52.55 51.39 1al6 s ASP 204 Cb -0.26 -2.06 0.00 0.00 -1.46 0.00 0.00 42.92 39.15 1al6 s ASP 204 CO 0.31 -0.43 0.96 -1.54 0.52 0.00 0.00 175.17 174.99 1al6 n SER 205 N 5.03 0.00 -0.21 -0.34 3.41 -1.26 -1.56 113.62 118.69 1al6 n SER 205 Ca -0.11 0.46 0.12 0.00 -0.26 0.00 0.00 58.87 59.07 1al6 n SER 205 Cb 0.46 -0.46 0.12 0.00 -0.26 0.00 0.00 64.21 64.07 1al6 n SER 205 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1al6 n LYS 206 N -1.46 0.59 -3.72 4.33 4.76 -1.26 -4.71 118.16 116.69 1al6 n LYS 206 Ca 0.00 -0.43 -0.20 0.00 -2.87 0.00 0.00 58.31 54.80 1al6 n LYS 206 Cb 0.02 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.69 1al6 n LYS 206 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1al6 s LEU 207 N -2.71 3.76 0.70 -0.35 1.43 -0.60 -5.10 118.68 115.82 1al6 s LEU 207 Ca 0.16 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 52.80 1al6 s LEU 207 Cb 0.18 -2.42 0.01 0.00 0.03 0.00 0.00 46.19 43.99 1al6 s LEU 207 CO 0.65 -0.35 1.06 1.51 0.23 0.00 0.00 176.35 179.46 1al6 s ASP 208 N -4.04 5.30 0.17 2.29 -4.77 -1.26 -4.81 116.67 109.55 1al6 s ASP 208 Ca 0.41 1.63 -0.16 0.00 -3.30 0.00 0.00 52.55 51.14 1al6 s ASP 208 Cb -0.07 -2.50 0.11 0.00 -1.09 0.00 0.00 42.92 39.37 1al6 s ASP 208 CO 0.28 -1.50 1.70 -0.25 0.70 0.00 0.00 175.17 176.10 1al6 h TRP 209 N -0.75 -0.04 -0.58 2.11 7.01 -1.97 0.17 115.95 121.91 1al6 h TRP 209 Ca -0.44 0.03 0.07 0.00 2.11 0.00 0.00 58.89 60.66 1al6 h TRP 209 Cb 1.21 0.08 -0.06 0.00 -2.10 0.00 0.00 29.16 28.29 1al6 h TRP 209 CO 0.62 -0.09 0.27 0.77 -2.79 0.00 0.00 178.44 177.22 1al6 h SER 210 N 0.10 0.35 -0.37 2.65 0.02 -1.96 -1.18 113.55 113.16 1al6 h SER 210 Ca 0.20 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.15 1al6 h SER 210 Cb 0.28 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1al6 h SER 210 CO -0.33 0.23 0.07 -0.74 -1.14 0.00 0.00 176.83 174.92 1al6 h HIS 211 N 0.50 0.64 -0.84 3.45 -0.00 -1.68 -0.13 115.15 117.09 1al6 h HIS 211 Ca 0.27 -0.08 -0.00 0.00 -0.00 0.00 0.00 60.37 60.55 1al6 h HIS 211 Cb 0.24 -0.18 -0.04 0.00 -0.00 0.00 0.00 27.41 27.43 1al6 h HIS 211 CO -0.12 0.64 0.51 -0.91 -0.00 0.00 0.00 177.93 178.05 1al6 h ASN 212 N 0.45 1.00 -0.03 3.26 -0.26 -0.78 -1.88 115.58 117.34 1al6 h ASN 212 Ca 0.11 -0.05 -0.00 0.00 -0.56 0.00 0.00 56.30 55.80 1al6 h ASN 212 Cb 0.34 -0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 37.34 1al6 h ASN 212 CO 0.00 0.76 0.02 0.15 -1.06 0.00 0.00 177.43 177.31 1al6 h PHE 213 N 1.16 0.04 -0.30 1.19 3.57 -0.66 -0.79 116.94 121.14 1al6 h PHE 213 Ca 0.30 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.77 1al6 h PHE 213 Cb -0.06 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1al6 h PHE 213 CO 0.00 0.06 0.02 1.79 -2.23 0.00 0.00 178.31 177.95 1al6 h THR 214 N 0.00 1.17 -0.26 4.41 1.35 -0.87 -0.54 112.91 118.18 1al6 h THR 214 Ca 0.01 -0.65 -0.03 0.00 -0.55 0.00 0.00 66.41 65.19 1al6 h THR 214 Cb 0.03 0.92 -0.01 0.00 -1.73 0.00 0.00 68.15 67.36 1al6 h THR 214 CO -0.00 0.23 0.04 0.78 -0.25 0.00 0.00 175.52 176.32 1al6 h ASN 215 N 0.44 0.40 0.19 5.36 -0.26 -1.17 -0.12 115.58 120.42 1al6 h ASN 215 Ca 0.10 -0.26 -0.04 0.00 -0.56 0.00 0.00 56.30 55.54 1al6 h ASN 215 Cb 0.26 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.40 1al6 h ASN 215 CO 0.00 0.56 -0.20 0.24 -1.06 0.00 0.00 177.43 176.97 1al6 h MET 216 N 0.23 0.02 0.00 0.81 2.86 -0.43 -1.69 114.93 116.74 1al6 h MET 216 Ca 0.08 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1al6 h MET 216 Cb 0.32 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 1al6 h MET 216 CO 0.00 0.23 -0.07 -0.07 1.06 0.00 0.00 176.91 178.06 1al6 h LEU 217 N 0.02 0.00 0.00 1.22 3.38 -0.82 -3.43 115.31 115.69 1al6 h LEU 217 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1al6 h LEU 217 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1al6 h LEU 217 CO 0.03 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.24 1al6 n GLY 218 N 0.41 1.11 3.73 0.83 0.00 -0.41 -4.96 105.19 105.89 1al6 n GLY 218 Ca 0.01 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 1al6 n GLY 218 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1al6 s TYR 219 N -2.00 3.35 -0.13 1.61 1.51 -0.19 -5.00 117.35 116.49 1al6 s TYR 219 Ca 0.00 0.27 0.15 0.00 -1.01 0.00 0.00 57.07 56.47 1al6 s TYR 219 Cb 0.00 -1.96 -0.21 0.00 -0.11 0.00 0.00 41.96 39.68 1al6 s TYR 219 CO 0.00 0.44 0.13 0.25 -1.11 0.00 0.00 175.55 175.26 1al6 n THR 220 N 2.65 0.83 -1.65 -0.71 -2.24 -1.26 -4.48 114.28 107.42 1al6 n THR 220 Ca -0.18 -0.60 -0.48 0.00 -2.27 0.00 0.00 64.05 60.51 1al6 n THR 220 Cb 0.53 -0.42 -0.05 0.00 -2.10 0.00 0.00 70.33 68.30 1al6 n THR 220 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1al6 n ASP 221 N -2.47 2.74 0.15 3.42 -0.08 -1.26 -4.86 116.55 114.20 1al6 n ASP 221 Ca -0.20 1.08 0.02 0.00 -1.51 0.00 0.00 54.79 54.17 1al6 n ASP 221 Cb 0.88 -1.35 0.34 0.00 2.34 0.00 0.00 41.12 43.33 1al6 n ASP 221 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1al6 h PRO 222 N 6.08 0.10 0.00 -0.67 0.11 -2.01 -1.78 132.00 133.84 1al6 h PRO 222 Ca -0.46 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 1al6 h PRO 222 Cb 1.28 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1al6 h PRO 222 CO 0.87 0.42 -0.33 1.96 -0.21 0.00 0.00 178.00 180.71 1al6 h GLN 223 N 0.09 0.00 -0.22 1.05 1.08 -1.99 -2.25 115.11 112.87 1al6 h GLN 223 Ca 0.01 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.06 1al6 h GLN 223 Cb 0.63 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 1al6 h GLN 223 CO 0.05 0.33 -0.47 0.35 -0.95 0.00 0.00 178.83 178.13 1al6 h PHE 224 N 0.00 0.69 -0.77 2.96 3.57 -1.70 0.90 116.94 122.60 1al6 h PHE 224 Ca -0.00 -0.22 -0.03 0.00 3.53 0.00 0.00 57.97 61.25 1al6 h PHE 224 Cb 0.73 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.30 1al6 h PHE 224 CO 0.00 0.93 0.37 1.15 -2.23 0.00 0.00 178.31 178.53 1al6 h THR 225 N 0.45 1.24 -0.39 4.41 2.02 -1.14 0.65 112.91 120.16 1al6 h THR 225 Ca 0.03 -0.69 -0.05 0.00 0.77 0.00 0.00 66.41 66.47 1al6 h THR 225 Cb 1.00 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1al6 h THR 225 CO 0.09 0.29 0.06 -0.33 0.37 0.00 0.00 175.52 176.00 1al6 h GLU 226 N 1.08 0.65 -0.71 6.66 4.39 -1.28 -1.57 114.58 123.81 1al6 h GLU 226 Ca 0.26 -0.17 0.03 0.00 0.34 0.00 0.00 59.36 59.82 1al6 h GLU 226 Cb 0.12 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 1al6 h GLU 226 CO -0.03 0.70 0.44 1.25 -1.16 0.00 0.00 179.01 180.21 1al6 h LEU 227 N 0.49 0.73 -0.33 1.33 5.85 -0.22 -2.05 115.31 121.11 1al6 h LEU 227 Ca 0.12 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1al6 h LEU 227 Cb 0.37 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1al6 h LEU 227 CO 0.01 0.50 0.19 -0.03 -0.34 0.00 0.00 178.44 178.77 1al6 h MET 228 N 0.86 0.38 -0.83 1.25 4.05 -0.53 0.17 114.93 120.29 1al6 h MET 228 Ca 0.28 -0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.76 1al6 h MET 228 Cb 0.02 -0.08 -0.07 0.00 -0.80 0.00 0.00 31.60 30.67 1al6 h MET 228 CO -0.11 0.25 0.49 0.00 0.23 0.00 0.00 176.91 177.77 1al6 h ARG 229 N 0.39 0.84 -0.17 0.39 3.08 -0.99 0.69 114.38 118.61 1al6 h ARG 229 Ca 0.13 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 1al6 h ARG 229 Cb 0.00 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.86 1al6 h ARG 229 CO -0.06 0.56 -0.09 1.25 -1.07 0.00 0.00 179.97 180.56 1al6 h LEU 230 N 0.87 0.38 -0.09 3.04 5.85 -0.71 -2.16 115.31 122.50 1al6 h LEU 230 Ca 0.38 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.71 1al6 h LEU 230 Cb 0.26 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1al6 h LEU 230 CO -0.21 0.72 -0.13 0.22 -0.34 0.00 0.00 178.44 178.70 1al6 h TYR 231 N 0.05 -0.34 0.00 1.25 5.03 -0.25 0.26 116.97 122.96 1al6 h TYR 231 Ca 0.04 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.32 1al6 h TYR 231 Cb 0.58 0.16 -0.01 0.00 1.55 0.00 0.00 36.73 39.01 1al6 h TYR 231 CO 0.07 -0.20 -0.22 -0.07 -1.32 0.00 0.00 178.16 176.42 1al6 h LEU 232 N -0.18 0.00 0.02 2.82 3.38 -0.90 -2.13 115.31 118.31 1al6 h LEU 232 Ca 0.08 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1al6 h LEU 232 Cb 0.29 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.05 1al6 h LEU 232 CO -0.19 0.22 -0.36 0.74 0.09 0.00 0.00 178.44 178.94 1al6 h THR 233 N 0.00 1.54 0.00 0.22 2.02 -0.64 -3.29 112.91 112.76 1al6 h THR 233 Ca -0.00 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 65.10 1al6 h THR 233 Cb 0.40 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.66 1al6 h THR 233 CO 0.03 0.57 0.00 0.16 0.37 0.00 0.00 175.52 176.65 1al6 h ILE 234 N -0.46 0.00 -0.02 3.11 3.07 -0.80 -2.85 117.51 119.56 1al6 h ILE 234 Ca -0.05 -0.57 0.00 0.00 1.55 0.00 0.00 64.86 65.79 1al6 h ILE 234 Cb 1.14 1.51 0.00 0.00 -0.27 0.00 0.00 36.82 39.20 1al6 h ILE 234 CO 0.07 0.00 -0.07 1.41 -1.05 0.00 0.00 178.15 178.51 1al6 n HIS 235 N -2.65 0.00 -0.25 0.16 8.25 -0.82 -4.63 115.22 115.28 1al6 n HIS 235 Ca 0.03 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.52 1al6 n HIS 235 Cb 0.39 -0.02 0.15 0.00 1.12 0.00 0.00 29.99 31.63 1al6 n HIS 235 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1al6 h SER 236 N 2.77 0.42 -5.01 0.41 4.64 -1.57 -3.34 113.55 111.87 1al6 h SER 236 Ca 0.00 0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 1al6 h SER 236 Cb 0.64 0.01 -0.17 0.00 -0.31 0.00 0.00 62.40 62.57 1al6 h SER 236 CO 0.00 0.22 0.07 -0.62 -0.87 0.00 0.00 176.83 175.64 1al6 s ASP 237 N -5.46 -0.49 -0.43 4.97 2.15 -1.26 -1.44 116.67 114.71 1al6 s ASP 237 Ca -0.13 0.30 0.08 0.00 0.43 0.00 0.00 52.55 53.24 1al6 s ASP 237 Cb 0.19 0.50 0.34 0.00 -0.30 0.00 0.00 42.92 43.65 1al6 s ASP 237 CO 0.76 -0.69 1.03 1.57 -0.17 0.00 0.00 175.17 177.67 1al6 n HIS 238 N 0.54 -1.87 -3.17 -5.34 -0.00 -1.26 -5.04 115.22 99.08 1al6 n HIS 238 Ca -0.19 -2.59 0.09 0.00 0.46 0.00 0.00 57.72 55.50 1al6 n HIS 238 Cb 0.59 1.01 -0.02 0.00 -0.12 0.00 0.00 29.99 31.45 1al6 n HIS 238 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1al6 n GLU 239 N 0.24 -1.37 0.01 1.57 0.28 -1.26 -4.48 120.64 115.63 1al6 n GLU 239 Ca 0.10 0.91 0.11 0.00 -0.16 0.00 0.00 57.16 58.12 1al6 n GLU 239 Cb 0.71 -1.68 0.04 0.00 1.43 0.00 0.00 31.44 31.94 1al6 n GLU 239 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1al6 n GLY 240 N -2.03 -1.17 0.50 -1.84 0.00 -1.26 -4.41 105.19 94.98 1al6 n GLY 240 Ca 0.00 -0.44 0.14 0.00 0.00 0.00 0.00 46.02 45.72 1al6 n GLY 240 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1al6 n GLY 241 N 1.42 0.03 3.79 -0.02 0.00 -1.26 -2.83 105.19 106.32 1al6 n GLY 241 Ca 0.03 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 1al6 n GLY 241 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1al6 s ASN 242 N -2.07 5.51 0.15 1.61 2.20 -1.26 -4.75 114.94 116.33 1al6 s ASN 242 Ca 0.35 1.90 -0.21 0.00 -0.94 0.00 0.00 52.86 53.96 1al6 s ASN 242 Cb 0.21 -2.54 0.04 0.00 -2.00 0.00 0.00 41.25 36.96 1al6 s ASN 242 CO 0.36 -1.35 1.65 0.58 -2.94 0.00 0.00 177.10 175.39 1al6 h VAL 243 N 0.29 0.50 -0.03 3.54 2.07 -1.95 0.15 116.25 120.82 1al6 h VAL 243 Ca -0.47 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1al6 h VAL 243 Cb 1.23 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1al6 h VAL 243 CO 0.56 0.00 0.02 0.77 0.02 0.00 0.00 177.57 178.94 1al6 h SER 244 N -0.15 0.04 -0.21 0.57 4.64 -1.86 -0.12 113.55 116.45 1al6 h SER 244 Ca 0.15 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1al6 h SER 244 Cb 0.38 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1al6 h SER 244 CO -0.36 0.14 0.11 0.00 -0.87 0.00 0.00 176.83 175.84 1al6 h ALA 245 N 0.91 0.27 -0.91 5.18 0.00 -1.80 -1.24 119.26 121.67 1al6 h ALA 245 Ca 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1al6 h ALA 245 Cb 0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1al6 h ALA 245 CO -0.00 -0.20 0.56 1.25 0.00 0.00 0.00 179.25 180.87 1al6 h HIS 246 N 0.23 1.19 -0.26 0.00 6.17 -0.54 -1.06 115.15 120.87 1al6 h HIS 246 Ca 0.07 0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.16 1al6 h HIS 246 Cb 0.07 -0.39 -0.01 0.00 2.52 0.00 0.00 27.41 29.60 1al6 h HIS 246 CO -0.04 0.78 0.15 1.15 0.71 0.00 0.00 177.93 180.69 1al6 h THR 247 N 1.25 1.10 -0.95 6.26 2.02 -0.63 0.66 112.91 122.62 1al6 h THR 247 Ca 0.33 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 67.27 1al6 h THR 247 Cb -0.08 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 67.08 1al6 h THR 247 CO -0.06 0.10 0.63 0.77 0.37 0.00 0.00 175.52 177.33 1al6 h SER 248 N 0.32 1.09 0.47 4.18 4.64 -0.73 -0.47 113.55 123.06 1al6 h SER 248 Ca 0.09 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 1al6 h SER 248 Cb 0.03 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.85 1al6 h SER 248 CO -0.02 0.79 -0.23 -0.74 -0.87 0.00 0.00 176.83 175.76 1al6 h HIS 249 N 1.29 -0.59 -0.01 4.77 6.17 -0.76 0.16 115.15 126.17 1al6 h HIS 249 Ca 0.35 -0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.44 1al6 h HIS 249 Cb -0.14 0.19 -0.03 0.00 2.52 0.00 0.00 27.41 29.95 1al6 h HIS 249 CO -0.00 -0.32 -0.15 1.25 0.71 0.00 0.00 177.93 179.42 1al6 h LEU 250 N -0.74 -0.45 -0.48 0.26 5.85 -0.67 -1.29 115.31 117.80 1al6 h LEU 250 Ca -0.06 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1al6 h LEU 250 Cb 0.54 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1al6 h LEU 250 CO 0.11 -0.21 0.20 0.58 -0.34 0.00 0.00 178.44 178.77 1al6 h VAL 251 N -0.25 1.21 0.00 1.05 2.07 -1.07 -2.33 116.25 116.93 1al6 h VAL 251 Ca 0.06 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 1al6 h VAL 251 Cb 0.32 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1al6 h VAL 251 CO -0.16 0.24 -0.17 1.23 0.02 0.00 0.00 177.57 178.73 1al6 h GLY 252 N 0.63 0.00 1.95 2.17 0.00 -0.55 -2.51 103.07 104.76 1al6 h GLY 252 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1al6 h GLY 252 CO -0.01 0.00 0.02 1.48 0.00 0.00 0.00 176.54 178.03 1al6 h SER 253 N 0.00 0.00 -0.32 0.19 4.64 -0.64 0.18 113.55 117.59 1al6 h SER 253 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1al6 h SER 253 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1al6 h SER 253 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 1al6 n ALA 254 N -2.01 2.46 -1.02 5.18 0.00 -0.95 -3.82 120.51 120.36 1al6 n ALA 254 Ca -0.03 -0.79 -0.01 0.00 0.00 0.00 0.00 53.44 52.62 1al6 n ALA 254 Cb 0.08 -0.97 -0.00 0.00 0.00 0.00 0.00 19.45 18.56 1al6 n ALA 254 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1al6 n LEU 255 N 0.95 -0.02 -4.76 0.00 4.77 0.61 -5.03 117.00 113.52 1al6 n LEU 255 Ca 0.18 0.01 -0.38 0.00 -0.03 0.00 0.00 56.01 55.79 1al6 n LEU 255 Cb 0.47 -0.60 0.01 0.00 -2.33 0.00 0.00 43.42 40.98 1al6 n LEU 255 CO 0.14 -0.05 0.90 -0.44 -1.33 0.00 0.00 177.39 176.61 1al6 s SER 256 N -2.61 5.76 0.95 -1.43 0.01 -1.24 -4.99 113.70 110.15 1al6 s SER 256 Ca 0.00 2.51 -0.12 0.00 1.31 0.00 0.00 55.95 59.65 1al6 s SER 256 Cb 0.00 -2.62 0.16 0.00 0.21 0.00 0.00 66.02 63.78 1al6 s SER 256 CO 0.00 -1.21 1.09 1.51 0.41 0.00 0.00 173.24 175.04 1al6 s ASP 257 N -1.18 2.97 0.52 2.44 1.47 -1.26 -4.58 116.67 117.04 1al6 s ASP 257 Ca 0.67 1.37 0.17 0.00 1.18 0.00 0.00 52.55 55.94 1al6 s ASP 257 Cb -0.34 -2.04 1.29 0.00 -0.34 0.00 0.00 42.92 41.49 1al6 s ASP 257 CO 0.40 -2.94 2.15 -0.65 0.68 0.00 0.00 175.17 174.81 1al6 h PRO 258 N -1.76 0.00 0.14 2.11 0.11 -1.94 -0.54 132.00 130.12 1al6 h PRO 258 Ca -0.52 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1al6 h PRO 258 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1al6 h PRO 258 CO 0.55 0.00 -0.07 1.88 -0.21 0.00 0.00 178.00 180.16 1al6 h TYR 259 N 0.00 -0.18 -0.66 0.65 -1.99 -1.91 0.17 116.97 113.05 1al6 h TYR 259 Ca 0.01 -0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.70 1al6 h TYR 259 Cb 0.04 0.06 -0.03 0.00 2.00 0.00 0.00 36.73 38.80 1al6 h TYR 259 CO 0.00 0.11 0.25 -0.07 -0.00 0.00 0.00 178.16 178.45 1al6 h LEU 260 N -0.46 0.92 -0.65 3.88 3.38 -1.74 -1.29 115.31 119.35 1al6 h LEU 260 Ca -0.02 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1al6 h LEU 260 Cb 0.36 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1al6 h LEU 260 CO 0.03 0.85 0.14 0.28 0.09 0.00 0.00 178.44 179.83 1al6 h SER 261 N 0.93 0.99 -0.37 -0.43 0.02 -1.03 -1.90 113.55 111.78 1al6 h SER 261 Ca 0.22 -0.24 -0.12 0.00 -0.84 0.00 0.00 61.79 60.81 1al6 h SER 261 Cb 0.23 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1al6 h SER 261 CO -0.02 0.98 -0.20 0.15 -1.14 0.00 0.00 176.83 176.60 1al6 h PHE 262 N 0.96 0.97 -0.52 3.45 3.57 -0.44 -2.19 116.94 122.74 1al6 h PHE 262 Ca 0.20 -0.22 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 1al6 h PHE 262 Cb 0.38 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 1al6 h PHE 262 CO 0.03 0.98 0.04 0.00 -2.23 0.00 0.00 178.31 177.13 1al6 h ALA 263 N 1.02 0.70 -0.65 2.41 0.00 -1.10 -1.31 119.26 120.33 1al6 h ALA 263 Ca 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1al6 h ALA 263 Cb 0.73 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1al6 h ALA 263 CO 0.06 0.48 0.38 0.00 0.00 0.00 0.00 179.25 180.16 1al6 h ALA 264 N 0.96 1.45 -0.78 0.00 0.00 -1.25 -1.69 119.26 117.95 1al6 h ALA 264 Ca 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1al6 h ALA 264 Cb 0.47 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1al6 h ALA 264 CO 0.02 0.47 0.35 0.00 0.00 0.00 0.00 179.25 180.09 1al6 h ALA 265 N 1.52 1.14 -0.14 0.00 0.00 -0.69 -1.50 119.26 119.60 1al6 h ALA 265 Ca 0.23 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1al6 h ALA 265 Cb -0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1al6 h ALA 265 CO -0.04 0.63 -0.17 0.52 0.00 0.00 0.00 179.25 180.20 1al6 h MET 266 N 1.12 0.22 -0.03 0.00 2.86 -0.38 0.31 114.93 119.03 1al6 h MET 266 Ca 0.27 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.79 1al6 h MET 266 Cb 0.15 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1al6 h MET 266 CO -0.03 0.39 -0.28 -0.91 1.06 0.00 0.00 176.91 177.14 1al6 h ASN 267 N 0.21 0.05 0.20 1.22 -0.26 -0.61 -1.86 115.58 114.53 1al6 h ASN 267 Ca 0.04 -0.01 -0.28 0.00 -0.56 0.00 0.00 56.30 55.48 1al6 h ASN 267 Cb 0.42 -0.01 0.02 0.00 -1.06 0.00 0.00 38.32 37.69 1al6 h ASN 267 CO 0.03 0.34 -1.18 1.23 -1.06 0.00 0.00 177.43 176.78 1al6 h GLY 268 N 0.90 0.64 2.00 2.83 0.00 -0.68 -3.26 103.07 105.50 1al6 h GLY 268 Ca 0.01 -1.30 -0.01 0.00 0.00 0.00 0.00 47.33 46.03 1al6 h GLY 268 CO 0.04 1.14 -0.05 -2.00 0.00 0.00 0.00 176.54 175.67 1al6 h LEU 269 N 0.27 0.00 0.00 3.11 5.85 -0.72 -1.38 115.31 122.44 1al6 h LEU 269 Ca -0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1al6 h LEU 269 Cb 1.85 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.88 1al6 h LEU 269 CO 0.22 0.05 0.00 0.00 -0.34 0.00 0.00 178.44 178.37 1al6 n ALA 270 N -2.49 2.27 -1.78 1.25 0.00 -0.72 -1.24 120.51 117.80 1al6 n ALA 270 Ca -0.03 -0.13 -0.37 0.00 0.00 0.00 0.00 53.44 52.92 1al6 n ALA 270 Cb 0.14 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.18 1al6 n ALA 270 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1al6 s GLY 271 N -2.25 2.76 0.53 0.00 0.00 -0.52 -4.52 107.32 103.32 1al6 s GLY 271 Ca 0.29 0.73 0.21 0.00 0.00 0.00 0.00 44.72 45.94 1al6 s GLY 271 CO 0.30 1.17 2.14 -2.55 0.00 0.00 0.00 173.10 174.17 1al6 h PRO 272 N 2.58 0.00 -0.00 2.90 0.11 -1.89 -0.47 132.00 135.22 1al6 h PRO 272 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1al6 h PRO 272 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1al6 h PRO 272 CO 0.63 0.05 -0.21 1.28 -0.21 0.00 0.00 178.00 179.54 1al6 n LEU 273 N -4.22 0.31 0.00 2.35 4.77 -1.26 -3.55 117.00 115.39 1al6 n LEU 273 Ca -0.03 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1al6 n LEU 273 Cb 0.13 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1al6 n LEU 273 CO 0.32 0.07 0.00 1.57 -1.33 0.00 0.00 177.39 178.02 1al6 n HIS 274 N -1.35 0.00 0.27 -1.77 -0.00 -0.24 -4.94 115.22 107.19 1al6 n HIS 274 Ca 0.08 0.00 0.16 0.00 0.46 0.00 0.00 57.72 58.42 1al6 n HIS 274 Cb 0.32 0.00 0.68 0.00 -0.12 0.00 0.00 29.99 30.88 1al6 n HIS 274 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1al6 h GLY 275 N 0.00 0.00 2.00 1.57 0.00 -1.20 -2.52 103.07 102.92 1al6 h GLY 275 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1al6 h GLY 275 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 176.54 174.54 1al6 h LEU 276 N 0.00 0.00 -1.68 3.11 5.85 -0.72 -2.44 115.31 119.44 1al6 h LEU 276 Ca -0.00 0.00 0.22 0.00 0.84 0.00 0.00 57.88 58.93 1al6 h LEU 276 Cb 0.51 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 1al6 h LEU 276 CO 0.01 0.00 0.59 0.00 -0.34 0.00 0.00 178.44 178.70 1al6 h ALA 277 N 2.04 2.40 -0.26 1.25 0.00 -1.50 0.09 119.26 123.28 1al6 h ALA 277 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1al6 h ALA 277 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1al6 h ALA 277 CO 0.00 -0.67 0.06 -2.95 0.00 0.00 0.00 179.25 175.70 1al6 h ASN 278 N 0.27 0.34 0.04 0.00 -0.00 -1.67 0.13 115.58 114.68 1al6 h ASN 278 Ca 0.44 -0.04 -0.11 0.00 -0.00 0.00 0.00 56.30 56.60 1al6 h ASN 278 Cb 1.31 -0.09 0.01 0.00 -0.00 0.00 0.00 38.32 39.55 1al6 h ASN 278 CO -0.12 0.35 -0.45 -0.61 -0.00 0.00 0.00 177.43 176.60 1al6 h GLN 279 N 0.37 0.24 -0.69 4.14 4.15 -1.26 -3.28 115.11 118.78 1al6 h GLN 279 Ca 0.09 -0.31 0.04 0.00 0.77 0.00 0.00 58.65 59.24 1al6 h GLN 279 Cb 0.15 0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.90 1al6 h GLN 279 CO -0.00 1.06 0.46 0.93 -1.93 0.00 0.00 178.83 179.34 1al6 h GLU 280 N -0.44 0.79 -0.41 1.69 4.39 -0.71 -1.52 114.58 118.38 1al6 h GLU 280 Ca -0.07 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1al6 h GLU 280 Cb 1.25 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 1al6 h GLU 280 CO 0.09 0.52 0.21 0.28 -1.16 0.00 0.00 179.01 178.95 1al6 h VAL 281 N 0.81 1.17 -0.54 3.13 2.07 -0.84 -0.45 116.25 121.61 1al6 h VAL 281 Ca 0.28 -0.46 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 1al6 h VAL 281 Cb 0.09 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1al6 h VAL 281 CO -0.08 0.18 -0.01 0.25 0.02 0.00 0.00 177.57 177.93 1al6 h LEU 282 N 0.52 0.94 -0.81 2.57 7.12 -1.40 -0.20 115.31 124.06 1al6 h LEU 282 Ca 0.14 -0.31 -0.05 0.00 0.13 0.00 0.00 57.88 57.79 1al6 h LEU 282 Cb 0.09 -0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 39.94 1al6 h LEU 282 CO -0.02 1.03 0.30 -0.07 -0.13 0.00 0.00 178.44 179.55 1al6 h LEU 283 N 0.84 1.10 -0.67 2.25 3.38 -1.19 -0.15 115.31 120.87 1al6 h LEU 283 Ca 0.15 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1al6 h LEU 283 Cb 0.55 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1al6 h LEU 283 CO 0.03 0.98 0.28 -0.25 0.09 0.00 0.00 178.44 179.57 1al6 h TRP 284 N 1.15 1.00 -0.71 1.13 7.01 -0.79 -2.08 115.95 122.67 1al6 h TRP 284 Ca 0.26 -0.07 -0.07 0.00 2.11 0.00 0.00 58.89 61.13 1al6 h TRP 284 Cb 0.23 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 26.96 1al6 h TRP 284 CO 0.02 0.77 0.18 -0.07 -2.79 0.00 0.00 178.44 176.55 1al6 h LEU 285 N 0.94 1.06 -0.72 0.65 3.38 -0.68 -1.51 115.31 118.43 1al6 h LEU 285 Ca 0.22 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1al6 h LEU 285 Cb 0.18 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1al6 h LEU 285 CO -0.02 1.01 0.39 0.28 0.09 0.00 0.00 178.44 180.19 1al6 h SER 286 N 1.06 0.90 -0.36 -0.43 0.02 -0.73 -0.35 113.55 113.67 1al6 h SER 286 Ca 0.22 -0.10 -0.11 0.00 -0.84 0.00 0.00 61.79 60.96 1al6 h SER 286 Cb 0.36 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1al6 h SER 286 CO 0.00 0.75 -0.17 -0.61 -1.14 0.00 0.00 176.83 175.66 1al6 h GLN 287 N 0.99 0.84 0.50 3.45 5.75 -1.29 -1.01 115.11 124.34 1al6 h GLN 287 Ca 0.25 -0.32 -0.02 0.00 -0.15 0.00 0.00 58.65 58.42 1al6 h GLN 287 Cb 0.05 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1al6 h GLN 287 CO -0.04 0.95 -0.36 1.25 -2.65 0.00 0.00 178.83 177.98 1al6 h LEU 288 N 0.74 -0.94 -2.02 -2.39 6.46 -0.71 0.31 115.31 116.75 1al6 h LEU 288 Ca 0.11 0.06 0.09 0.00 -0.12 0.00 0.00 57.88 58.03 1al6 h LEU 288 Cb 0.69 0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 40.90 1al6 h LEU 288 CO 0.05 -0.52 0.24 1.56 -0.62 0.00 0.00 178.44 179.15 1al6 h GLN 289 N -0.82 0.00 -0.04 1.25 4.20 -1.09 0.29 115.11 118.90 1al6 h GLN 289 Ca -0.07 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 1al6 h GLN 289 Cb 0.68 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.46 1al6 h GLN 289 CO 0.03 0.00 -0.41 -0.22 -0.67 0.00 0.00 178.83 177.56 1al6 h LYS 290 N 0.00 0.34 0.83 1.46 3.64 -0.77 0.37 116.57 122.44 1al6 h LYS 290 Ca 0.15 -0.32 -0.04 0.00 -1.27 0.00 0.00 60.65 59.18 1al6 h LYS 290 Cb 0.63 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1al6 h LYS 290 CO -0.00 0.98 -0.40 -0.44 -2.27 0.00 0.00 179.45 177.32 1al6 h ASP 291 N -0.20 -0.94 0.53 4.20 5.19 0.68 -3.35 116.42 122.53 1al6 h ASP 291 Ca -0.04 0.03 -0.29 0.00 -0.62 0.00 0.00 57.03 56.11 1al6 h ASP 291 Cb 1.10 0.24 -0.04 0.00 0.18 0.00 0.00 39.33 40.81 1al6 h ASP 291 CO 0.08 -0.59 -1.61 -0.07 -3.12 0.00 0.00 179.24 173.93 1al6 h LEU 292 N -1.27 0.07 -0.97 1.55 3.38 -0.62 -3.51 115.31 113.94 1al6 h LEU 292 Ca -0.11 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1al6 h LEU 292 Cb 0.86 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1al6 h LEU 292 CO 0.19 1.12 0.00 0.61 0.09 0.00 0.00 178.44 180.45 1al6 n GLY 293 N 1.58 -2.51 0.30 0.83 0.00 0.13 -4.83 105.19 100.68 1al6 n GLY 293 Ca -0.16 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1al6 n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1al6 n ALA 294 N 0.61 0.00 -3.68 4.61 0.00 -1.23 -3.88 120.51 116.94 1al6 n ALA 294 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1al6 n ALA 294 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1al6 n ALA 294 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1al6 s ASP 295 N 0.00 5.38 0.38 0.00 2.15 -1.26 -4.97 116.67 118.34 1al6 s ASP 295 Ca 0.00 -2.88 -0.09 0.00 0.43 0.00 0.00 52.55 50.01 1al6 s ASP 295 Cb 0.00 -1.89 -0.06 0.00 -0.30 0.00 0.00 42.92 40.67 1al6 s ASP 295 CO 0.00 -0.38 0.71 0.00 -0.17 0.00 0.00 175.17 175.34 1al6 s ALA 296 N -0.11 3.42 0.42 3.66 0.00 -1.25 -5.09 121.76 122.81 1al6 s ALA 296 Ca 0.17 -0.30 -0.12 0.00 0.00 0.00 0.00 51.96 51.72 1al6 s ALA 296 Cb -0.19 -2.60 -0.07 0.00 0.00 0.00 0.00 23.12 20.26 1al6 s ALA 296 CO -0.04 0.05 0.81 -1.54 0.00 0.00 0.00 175.76 175.04 1al6 s SER 297 N -3.16 6.54 0.22 0.00 1.04 -1.26 -4.94 113.70 112.14 1al6 s SER 297 Ca 0.49 1.21 -0.08 0.00 0.48 0.00 0.00 55.95 58.05 1al6 s SER 297 Cb -0.10 -2.36 0.23 0.00 0.10 0.00 0.00 66.02 63.89 1al6 s SER 297 CO 0.31 -0.43 1.87 0.44 0.98 0.00 0.00 173.24 176.41 1al6 h ASP 298 N 1.20 0.86 -0.85 7.02 5.19 -1.99 -1.15 116.42 126.71 1al6 h ASP 298 Ca -0.47 -0.01 0.01 0.00 -0.62 0.00 0.00 57.03 55.94 1al6 h ASP 298 Cb 1.19 -0.19 -0.04 0.00 0.18 0.00 0.00 39.33 40.46 1al6 h ASP 298 CO 0.63 0.60 0.56 1.05 -3.12 0.00 0.00 179.24 178.96 1al6 h GLU 299 N 1.02 1.11 -0.47 3.56 9.09 -2.00 0.29 114.58 127.19 1al6 h GLU 299 Ca 0.32 -0.07 -0.08 0.00 0.05 0.00 0.00 59.36 59.58 1al6 h GLU 299 Cb -0.01 -0.25 -0.02 0.00 -1.65 0.00 0.00 28.75 26.83 1al6 h GLU 299 CO -0.11 0.74 -0.02 0.87 0.05 0.00 0.00 179.01 180.54 1al6 h LYS 300 N 1.15 0.85 -0.44 1.06 1.57 -1.75 -1.66 116.57 117.34 1al6 h LYS 300 Ca 0.31 -0.28 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1al6 h LYS 300 Cb -0.13 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 1al6 h LYS 300 CO -0.07 0.91 0.24 -0.07 -0.57 0.00 0.00 179.45 179.89 1al6 h LEU 301 N 0.70 0.37 -0.28 2.94 3.38 -0.60 -0.53 115.31 121.30 1al6 h LEU 301 Ca 0.13 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.17 1al6 h LEU 301 Cb 0.54 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1al6 h LEU 301 CO 0.03 0.27 -0.05 0.03 0.09 0.00 0.00 178.44 178.80 1al6 h ARG 302 N 0.49 0.02 -0.35 1.13 3.08 -0.77 -0.10 114.38 117.87 1al6 h ARG 302 Ca 0.18 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.31 1al6 h ARG 302 Cb 0.05 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.03 1al6 h ARG 302 CO -0.11 0.01 -0.13 -0.44 -1.07 0.00 0.00 179.97 178.23 1al6 h ASP 303 N 0.02 -0.47 -0.77 7.04 3.32 -0.53 0.36 116.42 125.39 1al6 h ASP 303 Ca 0.13 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 1al6 h ASP 303 Cb 0.20 0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 1al6 h ASP 303 CO -0.27 -0.17 0.48 0.22 -1.72 0.00 0.00 179.24 177.77 1al6 h TYR 304 N -0.06 0.99 -0.40 4.55 5.03 -0.53 -0.41 116.97 126.14 1al6 h TYR 304 Ca 0.18 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.48 1al6 h TYR 304 Cb 0.33 -0.33 -0.02 0.00 1.55 0.00 0.00 36.73 38.26 1al6 h TYR 304 CO -0.36 0.66 0.21 0.82 -1.32 0.00 0.00 178.16 178.16 1al6 h ILE 305 N 1.04 1.16 -0.84 1.81 2.04 -0.19 -2.77 117.51 119.76 1al6 h ILE 305 Ca 0.28 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1al6 h ILE 305 Cb -0.06 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1al6 h ILE 305 CO -0.05 0.17 0.52 -0.50 0.00 0.00 0.00 178.15 178.29 1al6 h TRP 306 N 0.51 1.10 -0.88 1.37 4.06 -0.39 -1.60 115.95 120.11 1al6 h TRP 306 Ca 0.14 0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.16 1al6 h TRP 306 Cb 0.09 -0.36 -0.06 0.00 -1.00 0.00 0.00 29.16 27.82 1al6 h TRP 306 CO -0.02 0.73 0.55 -0.97 -3.56 0.00 0.00 178.44 175.17 1al6 h ASN 307 N 1.15 0.86 0.20 -3.49 -0.73 -0.92 0.48 115.58 113.14 1al6 h ASN 307 Ca 0.30 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.48 1al6 h ASN 307 Cb -0.06 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.37 1al6 h ASN 307 CO -0.06 0.54 -0.10 0.74 -0.37 0.00 0.00 177.43 178.19 1al6 h THR 308 N 0.99 0.83 -0.90 -3.57 2.02 -1.07 -1.70 112.91 109.51 1al6 h THR 308 Ca 0.39 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.44 1al6 h THR 308 Cb 0.20 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 1al6 h THR 308 CO -0.18 0.03 0.55 -0.07 0.37 0.00 0.00 175.52 176.22 1al6 h LEU 309 N -0.33 1.07 -0.85 2.58 3.38 -0.81 -2.19 115.31 118.16 1al6 h LEU 309 Ca -0.03 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1al6 h LEU 309 Cb 0.26 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1al6 h LEU 309 CO 0.05 0.81 0.00 0.78 0.09 0.00 0.00 178.44 180.17 1al6 h ASN 310 N 1.24 0.00 -0.43 -0.43 2.35 0.20 -2.80 115.58 115.71 1al6 h ASN 310 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 1al6 h ASN 310 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1al6 h ASN 310 CO -0.06 0.00 0.00 -1.20 -1.65 0.00 0.00 177.43 174.52 1al6 n SER 311 N -2.52 2.64 -0.74 5.81 7.64 -0.66 -4.92 113.62 120.87 1al6 n SER 311 Ca 0.02 -1.95 -0.05 0.00 1.01 0.00 0.00 58.87 57.90 1al6 n SER 311 Cb 0.28 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1al6 n SER 311 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1al6 n GLY 312 N 1.31 0.27 3.54 0.23 0.00 -1.05 -5.06 105.19 104.42 1al6 n GLY 312 Ca 0.17 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 1al6 n GLY 312 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1al6 s ARG 313 N -4.51 1.81 0.31 1.61 0.52 -1.06 -5.08 118.95 112.56 1al6 s ARG 313 Ca 0.03 -1.95 0.04 0.00 -0.52 0.00 0.00 55.73 53.34 1al6 s ARG 313 Cb -0.02 -1.65 -0.02 0.00 0.52 0.00 0.00 34.95 33.79 1al6 s ARG 313 CO 0.04 0.11 0.46 0.14 0.02 0.00 0.00 175.30 176.08 1al6 s VAL 314 N -2.66 4.70 -0.37 3.52 -7.23 -1.26 -4.24 120.40 112.85 1al6 s VAL 314 Ca 0.33 -0.85 -0.18 0.00 -1.81 0.00 0.00 61.98 59.47 1al6 s VAL 314 Cb 0.03 -3.67 0.00 0.00 0.56 0.00 0.00 36.38 33.31 1al6 s VAL 314 CO 0.16 -0.31 0.51 -0.69 -0.31 0.00 0.00 175.10 174.46 1al6 s VAL 315 N -2.17 5.01 0.46 1.32 1.01 -1.26 -4.94 120.40 119.83 1al6 s VAL 315 Ca 0.40 0.17 -0.24 0.00 0.00 0.00 0.00 61.98 62.31 1al6 s VAL 315 Cb -0.09 -4.00 -0.07 0.00 0.00 0.00 0.00 36.38 32.21 1al6 s VAL 315 CO 0.32 -0.30 1.29 -2.16 0.00 0.00 0.00 175.10 174.25 1al6 s PRO 316 N 2.39 3.65 0.00 2.72 0.04 -1.26 -3.64 135.00 138.91 1al6 s PRO 316 Ca 0.18 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1al6 s PRO 316 Cb -0.16 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.87 1al6 s PRO 316 CO 0.14 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.85 1al6 n GLY 317 N 0.62 0.76 3.20 0.56 0.00 -1.26 -4.83 105.19 104.24 1al6 n GLY 317 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1al6 n GLY 317 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1al6 s TYR 318 N -2.88 1.52 0.00 1.61 1.51 -1.24 -0.76 117.35 117.11 1al6 s TYR 318 Ca 0.00 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 55.69 1al6 s TYR 318 Cb 0.00 -0.90 0.00 0.00 -0.11 0.00 0.00 41.96 40.95 1al6 s TYR 318 CO 0.00 0.07 0.00 0.41 -1.11 0.00 0.00 175.55 174.92 1al6 n GLY 319 N 1.79 0.37 3.58 0.71 0.00 0.16 -4.88 105.19 106.93 1al6 n GLY 319 Ca -0.18 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 43.94 1al6 n GLY 319 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1al6 s HIS 320 N -2.45 -0.44 0.06 1.61 2.46 -1.26 -4.54 115.29 110.73 1al6 s HIS 320 Ca 0.00 0.82 0.24 0.00 0.47 0.00 0.00 55.06 56.60 1al6 s HIS 320 Cb 0.00 0.42 0.86 0.00 -0.13 0.00 0.00 32.58 33.74 1al6 s HIS 320 CO 0.00 -0.36 1.80 0.00 -2.47 0.00 0.00 174.74 173.71 1al6 h ALA 321 N 2.96 0.98 0.00 1.58 0.00 -1.99 -3.40 119.26 119.40 1al6 h ALA 321 Ca -0.21 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1al6 h ALA 321 Cb 1.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1al6 h ALA 321 CO 0.28 0.25 -0.72 0.28 0.00 0.00 0.00 179.25 179.34 1al6 n VAL 322 N -3.31 0.00 -1.76 0.00 0.31 -1.26 -4.92 118.33 107.40 1al6 n VAL 322 Ca 0.01 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.96 1al6 n VAL 322 Cb 0.45 -0.64 0.06 0.00 -0.91 0.00 0.00 33.84 32.80 1al6 n VAL 322 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1al6 s LEU 323 N -4.85 3.71 0.00 7.52 1.43 -1.26 -4.53 118.68 120.70 1al6 s LEU 323 Ca 0.00 2.70 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 1al6 s LEU 323 Cb 0.00 -4.45 0.00 0.00 0.03 0.00 0.00 46.19 41.77 1al6 s LEU 323 CO 0.00 -1.80 0.56 0.54 0.23 0.00 0.00 176.35 175.88 1al6 n ARG 324 N -1.48 0.58 -4.22 1.70 5.12 0.70 -4.55 116.66 114.51 1al6 n ARG 324 Ca 0.13 -0.71 -0.16 0.00 -1.93 0.00 0.00 57.85 55.18 1al6 n ARG 324 Cb 0.46 -0.82 -0.08 0.00 -1.16 0.00 0.00 32.46 30.86 1al6 n ARG 324 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1al6 s LYS 325 N -0.31 1.55 0.13 5.56 -0.14 -1.24 -4.89 119.74 120.40 1al6 s LYS 325 Ca 0.00 -1.81 -0.33 0.00 -1.36 0.00 0.00 55.97 52.47 1al6 s LYS 325 Cb 0.00 0.32 -0.13 0.00 -1.68 0.00 0.00 37.83 36.34 1al6 s LYS 325 CO 0.00 -0.56 1.68 2.41 -0.76 0.00 0.00 175.35 178.12 1al6 n THR 326 N -0.47 0.14 -1.67 2.17 -1.04 -1.26 -4.86 114.28 107.28 1al6 n THR 326 Ca 0.04 -0.02 -0.45 0.00 -2.04 0.00 0.00 64.05 61.58 1al6 n THR 326 Cb 0.64 -1.74 -0.04 0.00 -1.82 0.00 0.00 70.33 67.37 1al6 n THR 326 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1al6 n ASP 327 N 4.28 3.78 0.05 8.00 -0.08 -1.03 -4.87 116.55 126.68 1al6 n ASP 327 Ca 0.18 0.95 0.18 0.00 -1.51 0.00 0.00 54.79 54.59 1al6 n ASP 327 Cb 0.31 -1.45 0.69 0.00 2.34 0.00 0.00 41.12 43.02 1al6 n ASP 327 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1al6 h PRO 328 N 9.70 0.00 -0.24 -0.67 0.10 -1.89 0.35 132.00 139.35 1al6 h PRO 328 Ca -0.49 0.00 -0.03 0.00 0.10 0.00 0.00 66.00 65.58 1al6 h PRO 328 Cb 1.26 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 32.34 1al6 h PRO 328 CO 0.94 0.00 -0.01 0.00 0.10 0.00 0.00 178.00 179.04 1al6 h ARG 329 N 0.00 0.35 0.03 1.05 3.08 -1.96 0.69 114.38 117.62 1al6 h ARG 329 Ca 0.20 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1al6 h ARG 329 Cb 0.83 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1al6 h ARG 329 CO -0.00 0.38 -0.01 -0.92 -1.07 0.00 0.00 179.97 178.35 1al6 h TYR 330 N 0.34 -0.03 -0.65 3.04 3.20 -0.61 -2.25 116.97 120.00 1al6 h TYR 330 Ca 0.08 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.02 1al6 h TYR 330 Cb 0.24 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.46 1al6 h TYR 330 CO 0.01 0.35 0.34 1.15 -1.64 0.00 0.00 178.16 178.36 1al6 h THR 331 N -0.42 0.91 -0.81 1.81 2.02 -1.01 -0.03 112.91 115.38 1al6 h THR 331 Ca -0.00 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 1al6 h THR 331 Cb 0.40 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 1al6 h THR 331 CO 0.01 0.11 0.50 0.00 0.37 0.00 0.00 175.52 176.51 1al6 h GLN 333 N 1.11 0.89 -0.35 0.00 4.20 -0.56 -2.35 115.11 118.05 1al6 h GLN 333 Ca 0.29 -0.40 0.06 0.00 0.06 0.00 0.00 58.65 58.66 1al6 h GLN 333 Cb -0.07 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.64 1al6 h GLN 333 CO -0.06 1.05 0.05 -0.09 -0.67 0.00 0.00 178.83 179.11 1al6 h ARG 334 N 0.71 0.15 -0.64 1.46 2.43 -0.33 -0.30 114.38 117.86 1al6 h ARG 334 Ca 0.09 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.30 1al6 h ARG 334 Cb 0.79 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.27 1al6 h ARG 334 CO 0.07 0.10 0.42 1.05 -1.51 0.00 0.00 179.97 180.10 1al6 h GLU 335 N 0.16 0.70 -0.06 0.20 4.11 -0.81 0.16 114.58 119.04 1al6 h GLU 335 Ca 0.17 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.55 1al6 h GLU 335 Cb 0.21 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1al6 h GLU 335 CO -0.24 0.46 0.01 0.35 0.07 0.00 0.00 179.01 179.66 1al6 h PHE 336 N 0.72 0.10 -0.32 2.06 3.04 -0.67 -2.14 116.94 119.72 1al6 h PHE 336 Ca 0.26 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.23 1al6 h PHE 336 Cb 0.15 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.60 1al6 h PHE 336 CO -0.00 0.30 0.13 0.00 -2.02 0.00 0.00 178.31 176.72 1al6 h ALA 337 N 0.79 0.38 -0.72 2.41 0.00 -0.19 -0.66 119.26 121.27 1al6 h ALA 337 Ca 0.02 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.08 1al6 h ALA 337 Cb 0.25 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1al6 h ALA 337 CO 0.00 -0.26 0.48 -0.07 0.00 0.00 0.00 179.25 179.40 1al6 h LEU 338 N 0.28 0.46 0.13 0.00 3.38 -0.56 0.22 115.31 119.21 1al6 h LEU 338 Ca 0.14 0.02 -0.28 0.00 0.09 0.00 0.00 57.88 57.85 1al6 h LEU 338 Cb 0.09 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1al6 h LEU 338 CO -0.13 0.26 -1.29 0.11 0.09 0.00 0.00 178.44 177.49 1al6 h LYS 339 N 0.51 0.27 0.00 1.13 1.79 -0.76 -3.38 116.57 116.12 1al6 h LYS 339 Ca 0.34 -0.45 -0.23 0.00 -2.18 0.00 0.00 60.65 58.14 1al6 h LYS 339 Cb 0.65 0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 31.42 1al6 h LYS 339 CO -0.12 1.20 -1.86 0.72 -1.08 0.00 0.00 179.45 178.32 1al6 n HIS 340 N -3.52 0.00 -2.71 -1.35 8.25 -0.31 -4.80 115.22 110.78 1al6 n HIS 340 Ca -0.10 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.27 1al6 n HIS 340 Cb 1.03 -0.61 0.05 0.00 1.12 0.00 0.00 29.99 31.57 1al6 n HIS 340 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1al6 n LEU 341 N -2.46 0.44 0.15 2.41 -0.00 0.70 -4.95 117.00 113.29 1al6 n LEU 341 Ca -0.20 -3.74 0.17 0.00 -0.00 0.00 0.00 56.01 52.23 1al6 n LEU 341 Cb 0.90 0.36 0.76 0.00 -0.00 0.00 0.00 43.42 45.44 1al6 n LEU 341 CO 0.27 1.72 1.15 1.55 -0.00 0.00 0.00 177.39 182.07 1al6 h PRO 342 N 2.75 0.00 -0.54 1.47 0.13 -1.61 -2.43 132.00 131.77 1al6 h PRO 342 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1al6 h PRO 342 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1al6 h PRO 342 CO 0.35 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.55 1al6 n SER 343 N -4.05 3.67 -4.72 1.44 7.64 -1.26 -4.79 113.62 111.55 1al6 n SER 343 Ca 0.04 -1.99 -0.42 0.00 1.01 0.00 0.00 58.87 57.51 1al6 n SER 343 Cb 0.39 -0.36 -0.03 0.00 -1.01 0.00 0.00 64.21 63.21 1al6 n SER 343 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1al6 s ASP 344 N -1.24 6.74 0.40 6.43 -1.08 -0.92 -4.89 116.67 122.11 1al6 s ASP 344 Ca 0.43 2.44 0.09 0.00 -0.52 0.00 0.00 52.55 54.99 1al6 s ASP 344 Cb 0.24 -2.59 0.83 0.00 -1.46 0.00 0.00 42.92 39.93 1al6 s ASP 344 CO 0.32 -0.71 1.96 1.55 0.52 0.00 0.00 175.17 178.81 1al6 h PRO 345 N 6.72 0.30 -0.16 4.34 0.13 -1.92 0.11 132.00 141.52 1al6 h PRO 345 Ca -0.42 -0.05 -0.19 0.00 -0.87 0.00 0.00 66.00 64.46 1al6 h PRO 345 Cb 1.21 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1al6 h PRO 345 CO 0.88 0.35 -0.68 1.98 -0.23 0.00 0.00 178.00 180.30 1al6 h MET 346 N 0.29 0.64 -0.13 0.86 4.05 -1.96 -1.13 114.93 117.54 1al6 h MET 346 Ca 0.07 -0.47 0.00 0.00 -0.28 0.00 0.00 59.70 59.01 1al6 h MET 346 Cb 0.25 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 1al6 h MET 346 CO 0.01 1.09 0.09 0.35 0.23 0.00 0.00 176.91 178.68 1al6 h PHE 347 N 0.46 0.17 -0.77 1.39 3.57 -1.71 0.12 116.94 120.16 1al6 h PHE 347 Ca -0.02 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.55 1al6 h PHE 347 Cb 1.27 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.90 1al6 h PHE 347 CO 0.06 0.12 0.51 0.87 -2.23 0.00 0.00 178.31 177.64 1al6 h LYS 348 N 0.17 0.79 -0.39 1.11 1.57 -0.69 0.33 116.57 119.47 1al6 h LYS 348 Ca 0.05 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1al6 h LYS 348 Cb -0.00 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 1al6 h LYS 348 CO -0.01 0.52 0.07 1.25 -0.57 0.00 0.00 179.45 180.71 1al6 h LEU 349 N 0.82 0.61 -0.86 2.94 5.85 -0.23 -0.34 115.31 124.10 1al6 h LEU 349 Ca 0.33 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1al6 h LEU 349 Cb 0.26 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1al6 h LEU 349 CO -0.12 0.71 0.53 0.58 -0.34 0.00 0.00 178.44 179.81 1al6 h VAL 350 N 0.49 1.24 -0.75 1.05 2.07 0.99 0.48 116.25 121.82 1al6 h VAL 350 Ca 0.12 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 1al6 h VAL 350 Cb 0.36 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1al6 h VAL 350 CO 0.01 0.24 0.28 0.00 0.02 0.00 0.00 177.57 178.12 1al6 h ALA 351 N 1.29 1.08 -0.46 1.67 0.00 -0.13 -2.59 119.26 120.12 1al6 h ALA 351 Ca 0.31 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1al6 h ALA 351 Cb -0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1al6 h ALA 351 CO -0.06 0.65 -0.07 0.37 0.00 0.00 0.00 179.25 180.13 1al6 h GLN 352 N 1.10 0.81 -0.02 0.00 4.15 0.07 -2.56 115.11 118.65 1al6 h GLN 352 Ca 0.25 -0.25 -0.07 0.00 0.77 0.00 0.00 58.65 59.34 1al6 h GLN 352 Cb 0.24 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 1al6 h GLN 352 CO -0.02 0.86 -0.33 -0.07 -1.93 0.00 0.00 178.83 177.34 1al6 h LEU 353 N 0.74 0.04 -1.62 -2.39 3.38 -0.57 -1.76 115.31 113.13 1al6 h LEU 353 Ca 0.13 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1al6 h LEU 353 Cb 0.55 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1al6 h LEU 353 CO 0.03 0.38 0.27 0.22 0.09 0.00 0.00 178.44 179.44 1al6 h TYR 354 N 0.04 0.49 0.00 1.13 3.20 -1.15 0.51 116.97 121.19 1al6 h TYR 354 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1al6 h TYR 354 Cb 0.61 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.72 1al6 h TYR 354 CO 0.00 0.30 0.00 0.87 -1.64 0.00 0.00 178.16 177.69 1al6 h LYS 355 N 0.52 0.00 0.00 1.82 1.57 -1.31 -3.41 116.57 115.76 1al6 h LYS 355 Ca 0.16 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.79 1al6 h LYS 355 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1al6 h LYS 355 CO -0.04 0.00 -1.52 -0.89 -0.57 0.00 0.00 179.45 176.43 1al6 n ILE 356 N -2.77 0.51 -0.11 1.86 5.41 0.58 -4.70 119.36 120.14 1al6 n ILE 356 Ca 0.03 -0.15 -0.05 0.00 1.00 0.00 0.00 62.75 63.58 1al6 n ILE 356 Cb 0.39 -1.40 0.01 0.00 -0.71 0.00 0.00 39.64 37.93 1al6 n ILE 356 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1al6 h VAL 357 N -0.24 0.55 -0.96 1.39 2.07 -0.38 -1.75 116.25 116.93 1al6 h VAL 357 Ca -0.23 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.39 1al6 h VAL 357 Cb 1.24 0.55 -0.08 0.00 -1.52 0.00 0.00 31.29 31.48 1al6 h VAL 357 CO -0.11 0.00 0.60 -0.65 0.02 0.00 0.00 177.57 177.42 1al6 h PRO 358 N -0.05 0.96 -0.58 1.57 0.11 -1.77 0.63 132.00 132.86 1al6 h PRO 358 Ca 0.19 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.16 1al6 h PRO 358 Cb 0.33 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 1al6 h PRO 358 CO -0.42 0.63 0.07 -0.91 -0.21 0.00 0.00 178.00 177.16 1al6 h ASN 359 N 0.99 0.96 -0.40 -2.05 -0.26 -1.65 0.12 115.58 113.28 1al6 h ASN 359 Ca 0.46 -0.28 -0.05 0.00 -0.56 0.00 0.00 56.30 55.87 1al6 h ASN 359 Cb 0.38 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.37 1al6 h ASN 359 CO -0.24 0.99 0.06 0.58 -1.06 0.00 0.00 177.43 177.76 1al6 h VAL 360 N 0.89 1.24 -0.97 2.81 2.07 -0.41 -0.24 116.25 121.64 1al6 h VAL 360 Ca 0.17 -0.88 0.05 0.00 0.82 0.00 0.00 66.70 66.86 1al6 h VAL 360 Cb 0.46 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 1al6 h VAL 360 CO 0.02 0.30 0.63 -0.07 0.02 0.00 0.00 177.57 178.47 1al6 h LEU 361 N 0.52 1.02 -0.14 2.57 3.38 -0.55 0.29 115.31 122.39 1al6 h LEU 361 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1al6 h LEU 361 Cb 0.38 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1al6 h LEU 361 CO 0.01 0.67 0.07 -0.07 0.09 0.00 0.00 178.44 179.20 1al6 h LEU 362 N 1.16 0.19 -0.78 1.67 3.38 -0.43 -1.94 115.31 118.57 1al6 h LEU 362 Ca 0.40 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.29 1al6 h LEU 362 Cb 0.11 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1al6 h LEU 362 CO -0.15 0.27 0.48 -0.08 0.09 0.00 0.00 178.44 179.05 1al6 h GLU 363 N 0.10 0.86 -0.14 1.13 4.81 0.16 -0.30 114.58 121.19 1al6 h GLU 363 Ca 0.05 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1al6 h GLU 363 Cb 0.14 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1al6 h GLU 363 CO -0.01 0.57 0.03 0.37 -0.73 0.00 0.00 179.01 179.24 1al6 h GLN 364 N 0.89 0.19 -0.38 1.92 4.15 -0.17 -3.47 115.11 118.24 1al6 h GLN 364 Ca 0.33 -0.02 -0.17 0.00 0.77 0.00 0.00 58.65 59.57 1al6 h GLN 364 Cb 0.12 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.71 1al6 h GLN 364 CO -0.15 0.19 -0.15 0.41 -1.93 0.00 0.00 178.83 177.20 1al6 n GLY 365 N -1.33 0.99 0.30 2.39 0.00 -0.13 -4.93 105.19 102.50 1al6 n GLY 365 Ca -0.01 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 1al6 n GLY 365 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1al6 n LYS 366 N -2.60 0.47 -1.85 1.61 5.02 -1.26 -4.98 118.16 114.57 1al6 n LYS 366 Ca -0.08 0.20 -0.41 0.00 -2.02 0.00 0.00 58.31 56.00 1al6 n LYS 366 Cb 0.29 -1.29 -0.01 0.00 -0.02 0.00 0.00 35.03 34.00 1al6 n LYS 366 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1al6 s ALA 367 N -2.46 3.64 0.11 7.82 0.00 -1.26 -4.90 121.76 124.70 1al6 s ALA 367 Ca -0.30 1.52 -0.10 0.00 0.00 0.00 0.00 51.96 53.08 1al6 s ALA 367 Cb 0.11 -3.61 -0.14 0.00 0.00 0.00 0.00 23.12 19.48 1al6 s ALA 367 CO 0.39 -0.95 1.28 0.87 0.00 0.00 0.00 175.76 177.34 1al6 h LYS 368 N 4.04 0.63 -4.81 0.00 1.79 -1.93 -3.41 116.57 112.88 1al6 h LYS 368 Ca -0.49 -0.61 -0.67 0.00 -2.18 0.00 0.00 60.65 56.71 1al6 h LYS 368 Cb 1.23 0.15 -0.37 0.00 -1.58 0.00 0.00 32.23 31.66 1al6 h LYS 368 CO 0.72 1.22 -0.76 1.21 -1.08 0.00 0.00 179.45 180.75 1al6 s ASN 369 N -7.15 4.60 0.00 0.86 2.47 -1.26 -4.97 114.94 109.48 1al6 s ASN 369 Ca -0.09 -1.57 0.30 0.00 0.42 0.00 0.00 52.86 51.92 1al6 s ASN 369 Cb 0.08 -1.60 1.44 0.00 -1.45 0.00 0.00 41.25 39.72 1al6 s ASN 369 CO 0.90 -0.25 1.97 -0.81 -3.72 0.00 0.00 177.10 175.18 1al6 n PRO 370 N 4.42 1.23 -2.36 0.43 -0.04 -1.26 -3.13 135.00 134.29 1al6 n PRO 370 Ca -0.10 -0.44 -0.29 0.00 -0.04 0.00 0.00 63.50 62.64 1al6 n PRO 370 Cb 0.42 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1al6 n PRO 370 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1al6 s TRP 371 N -2.08 3.59 0.65 0.54 0.52 -1.26 -4.04 118.94 116.86 1al6 s TRP 371 Ca 0.41 0.99 -0.12 0.00 0.02 0.00 0.00 56.10 57.39 1al6 s TRP 371 Cb 0.21 -2.46 -0.02 0.00 -1.15 0.00 0.00 33.47 30.06 1al6 s TRP 371 CO 0.37 -0.43 1.05 -1.25 0.02 0.00 0.00 176.95 176.71 1al6 s PRO 372 N -4.90 3.20 0.43 4.98 0.04 -1.26 -0.67 135.00 136.83 1al6 s PRO 372 Ca 0.50 0.96 0.06 0.00 0.04 0.00 0.00 61.00 62.57 1al6 s PRO 372 Cb -0.11 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 1al6 s PRO 372 CO 0.48 -0.89 0.10 0.54 0.04 0.00 0.00 177.00 177.28 1al6 s ASN 373 N -3.62 4.19 0.34 6.66 2.20 0.06 -2.47 114.94 122.30 1al6 s ASN 373 Ca 0.59 -1.27 0.14 0.00 -0.94 0.00 0.00 52.86 51.37 1al6 s ASN 373 Cb -0.14 -0.27 1.09 0.00 -2.00 0.00 0.00 41.25 39.93 1al6 s ASN 373 CO 0.50 -0.58 1.64 1.62 -2.94 0.00 0.00 177.10 177.34 1al6 h VAL 374 N 1.51 0.23 0.00 3.54 3.04 -1.88 -1.21 116.25 121.48 1al6 h VAL 374 Ca -0.43 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1al6 h VAL 374 Cb 1.26 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 1al6 h VAL 374 CO 0.74 0.04 0.00 0.44 -1.01 0.00 0.00 177.57 177.78 1al6 h ASP 375 N 0.24 0.00 0.98 3.17 3.32 -1.94 -2.19 116.42 120.00 1al6 h ASP 375 Ca 0.73 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.77 1al6 h ASP 375 Cb 1.71 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.26 1al6 h ASP 375 CO -0.66 0.00 -0.08 0.00 -1.72 0.00 0.00 179.24 176.78 1al6 h ALA 376 N 2.03 1.02 -0.00 3.45 0.00 -1.34 -3.35 119.26 121.07 1al6 h ALA 376 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1al6 h ALA 376 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1al6 h ALA 376 CO 0.00 0.10 -0.08 1.58 0.00 0.00 0.00 179.25 180.85 1al6 n HIS 377 N -3.22 0.00 -0.04 0.00 -0.00 -0.83 -4.84 115.22 106.30 1al6 n HIS 377 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.58 1al6 n HIS 377 Cb 0.35 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.23 1al6 n HIS 377 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1al6 h SER 378 N 0.30 0.11 -0.34 0.26 4.64 -1.67 -3.34 113.55 113.51 1al6 h SER 378 Ca 0.00 -0.75 0.01 0.00 -0.47 0.00 0.00 61.79 60.58 1al6 h SER 378 Cb 0.11 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1al6 h SER 378 CO 0.00 0.84 0.23 1.23 -0.87 0.00 0.00 176.83 178.26 1al6 h GLY 379 N -0.62 0.45 1.45 -0.77 0.00 -1.81 -1.52 103.07 100.25 1al6 h GLY 379 Ca -0.01 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 1al6 h GLY 379 CO 0.02 0.15 0.07 -2.08 0.00 0.00 0.00 176.54 174.71 1al6 h VAL 380 N 0.42 1.21 -0.29 4.60 2.07 -1.90 0.12 116.25 122.49 1al6 h VAL 380 Ca 0.13 -0.80 -0.11 0.00 0.82 0.00 0.00 66.70 66.74 1al6 h VAL 380 Cb 0.01 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1al6 h VAL 380 CO -0.03 0.29 -0.27 -0.07 0.02 0.00 0.00 177.57 177.51 1al6 h LEU 381 N 0.66 0.73 -0.20 2.57 3.38 -1.40 -3.06 115.31 117.99 1al6 h LEU 381 Ca 0.15 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1al6 h LEU 381 Cb 0.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1al6 h LEU 381 CO 0.00 1.04 0.13 -0.07 0.09 0.00 0.00 178.44 179.64 1al6 h LEU 382 N 0.43 0.24 -0.93 1.67 3.38 -1.25 -2.75 115.31 116.10 1al6 h LEU 382 Ca 0.05 -0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.12 1al6 h LEU 382 Cb 0.83 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.43 1al6 h LEU 382 CO 0.07 0.19 0.55 -0.61 0.09 0.00 0.00 178.44 178.73 1al6 h GLN 383 N 0.26 0.82 -0.44 1.13 -0.00 -0.97 -2.12 115.11 113.79 1al6 h GLN 383 Ca 0.07 -0.05 0.03 0.00 -0.00 0.00 0.00 58.65 58.71 1al6 h GLN 383 Cb -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 27.48 27.26 1al6 h GLN 383 CO -0.02 0.54 0.30 -0.92 0.00 0.00 0.00 178.83 178.73 1al6 h TYR 384 N 0.84 0.46 -0.13 3.99 3.20 -1.38 -1.04 116.97 122.91 1al6 h TYR 384 Ca 0.48 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.36 1al6 h TYR 384 Cb 0.55 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.66 1al6 h TYR 384 CO -0.04 0.27 0.00 0.66 -1.64 0.00 0.00 178.16 177.41 1al6 n TYR 385 N -4.48 0.16 0.00 -3.82 4.01 -0.85 -4.91 117.16 107.28 1al6 n TYR 385 Ca 0.05 -0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1al6 n TYR 385 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 1al6 n TYR 385 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1al6 n GLY 386 N 1.15 0.51 3.47 2.72 0.00 -0.39 -5.02 105.19 107.63 1al6 n GLY 386 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 1al6 n GLY 386 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1al6 s MET 387 N -0.81 3.82 0.00 1.61 0.00 -0.89 -4.74 119.30 118.30 1al6 s MET 387 Ca 0.00 -2.08 0.25 0.00 0.00 0.00 0.00 55.69 53.86 1al6 s MET 387 Cb 0.00 -5.03 0.50 0.00 0.00 0.00 0.00 34.83 30.29 1al6 s MET 387 CO 0.00 -1.82 1.42 0.25 0.00 0.00 0.00 175.02 174.87 1al6 n THR 388 N 5.25 0.00 -2.45 10.11 -2.24 -1.26 -3.28 114.28 120.40 1al6 n THR 388 Ca 0.31 -0.33 -0.38 0.00 -2.27 0.00 0.00 64.05 61.38 1al6 n THR 388 Cb 0.46 0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 69.66 1al6 n THR 388 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1al6 s GLU 389 N -2.16 3.42 0.54 -0.78 8.01 -1.26 -4.84 118.70 121.63 1al6 s GLU 389 Ca 0.29 -1.13 0.23 0.00 0.01 0.00 0.00 54.97 54.36 1al6 s GLU 389 Cb 0.20 -5.33 1.51 0.00 -4.31 0.00 0.00 34.13 26.19 1al6 s GLU 389 CO 0.39 -2.52 2.18 0.00 0.01 0.00 0.00 175.26 175.31 1al6 h MET 390 N 9.66 0.00 0.00 1.61 -0.00 -1.96 -1.53 114.93 122.71 1al6 h MET 390 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.93 1al6 h MET 390 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.58 1al6 h MET 390 CO 1.38 0.03 0.00 0.09 -0.00 0.00 0.00 176.91 178.41 1al6 n ASN 391 N -4.13 0.00 0.02 -0.10 5.03 -1.26 -2.64 115.26 112.18 1al6 n ASN 391 Ca -0.03 0.42 0.11 0.00 0.87 0.00 0.00 54.58 55.95 1al6 n ASN 391 Cb 0.11 -0.46 -0.05 0.00 -1.02 0.00 0.00 39.78 38.36 1al6 n ASN 391 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1al6 n TYR 392 N -1.46 0.25 -0.33 3.10 9.36 -0.58 -4.50 117.16 123.00 1al6 n TYR 392 Ca 0.05 0.07 0.14 0.00 3.32 0.00 0.00 57.90 61.49 1al6 n TYR 392 Cb 0.21 -0.47 0.36 0.00 -0.63 0.00 0.00 39.34 38.81 1al6 n TYR 392 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 1al6 h TYR 393 N 0.00 0.97 0.00 2.98 0.05 -1.57 -1.40 116.97 117.99 1al6 h TYR 393 Ca 0.00 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.79 1al6 h TYR 393 Cb 0.80 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 38.25 1al6 h TYR 393 CO 0.00 0.23 -0.12 1.15 -1.05 0.00 0.00 178.16 178.37 1al6 h THR 394 N 0.70 0.94 -0.62 -2.88 2.02 -1.81 -2.12 112.91 109.14 1al6 h THR 394 Ca 0.56 -0.43 0.03 0.00 0.77 0.00 0.00 66.41 67.34 1al6 h THR 394 Cb 0.95 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 1al6 h THR 394 CO -0.33 0.12 0.37 0.58 0.37 0.00 0.00 175.52 176.62 1al6 h VAL 395 N 0.00 1.05 -0.75 3.16 2.07 -1.56 0.13 116.25 120.35 1al6 h VAL 395 Ca -0.00 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.31 1al6 h VAL 395 Cb 0.23 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 1al6 h VAL 395 CO 0.02 0.13 0.46 -0.07 0.02 0.00 0.00 177.57 178.13 1al6 h LEU 396 N 0.72 0.74 -0.47 2.57 3.38 -1.46 0.07 115.31 120.86 1al6 h LEU 396 Ca 0.26 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1al6 h LEU 396 Cb 0.05 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1al6 h LEU 396 CO -0.12 0.50 0.31 0.15 0.09 0.00 0.00 178.44 179.37 1al6 h PHE 397 N 0.88 0.60 -0.60 1.13 3.04 -1.13 -2.17 116.94 118.69 1al6 h PHE 397 Ca 0.31 0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.30 1al6 h PHE 397 Cb 0.07 -0.20 -0.04 0.00 2.56 0.00 0.00 35.95 38.34 1al6 h PHE 397 CO -0.04 0.38 0.36 0.78 -2.02 0.00 0.00 178.31 177.77 1al6 h GLY 398 N 0.64 0.85 0.91 2.40 0.00 0.27 -0.00 103.07 108.14 1al6 h GLY 398 Ca 0.17 -0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.25 1al6 h GLY 398 CO -0.04 0.22 0.26 -2.08 0.00 0.00 0.00 176.54 174.91 1al6 h VAL 399 N 0.71 1.05 -0.03 4.60 2.07 -0.60 -2.75 116.25 121.30 1al6 h VAL 399 Ca 0.24 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1al6 h VAL 399 Cb 0.04 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1al6 h VAL 399 CO -0.11 0.10 0.02 -1.28 0.02 0.00 0.00 177.57 176.32 1al6 h SER 400 N 0.53 0.04 -0.03 0.57 0.87 -0.91 -2.95 113.55 111.67 1al6 h SER 400 Ca 0.17 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.72 1al6 h SER 400 Cb 0.00 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1al6 h SER 400 CO -0.07 0.05 0.05 -0.09 -0.53 0.00 0.00 176.83 176.23 1al6 h ARG 401 N 0.02 0.00 -0.92 2.24 9.65 -0.73 -0.65 114.38 123.99 1al6 h ARG 401 Ca 0.01 0.00 0.12 0.00 -1.10 0.00 0.00 59.98 59.01 1al6 h ARG 401 Cb 0.02 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 28.52 1al6 h ARG 401 CO -0.00 0.00 0.59 0.00 2.80 0.00 0.00 179.97 183.36 1al6 h ALA 402 N 1.93 1.69 -0.18 2.80 0.00 -1.31 -2.23 119.26 121.96 1al6 h ALA 402 Ca 0.01 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1al6 h ALA 402 Cb 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1al6 h ALA 402 CO -0.00 0.09 -0.02 -0.07 0.00 0.00 0.00 179.25 179.24 1al6 h LEU 403 N 0.83 -0.12 -0.05 0.00 3.38 -1.27 -0.58 115.31 117.51 1al6 h LEU 403 Ca 0.45 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.38 1al6 h LEU 403 Cb 0.56 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1al6 h LEU 403 CO -0.22 -0.04 -0.30 1.23 0.09 0.00 0.00 178.44 179.21 1al6 h GLY 404 N 0.03 0.31 1.93 0.83 0.00 -0.96 -2.62 103.07 102.59 1al6 h GLY 404 Ca 0.08 -0.46 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 1al6 h GLY 404 CO -0.16 0.41 -0.49 -0.39 0.00 0.00 0.00 176.54 175.90 1al6 h VAL 405 N -0.26 1.35 0.00 4.60 -1.51 -1.39 -2.36 116.25 116.69 1al6 h VAL 405 Ca -0.02 -1.71 -0.16 0.00 -1.23 0.00 0.00 66.70 63.58 1al6 h VAL 405 Cb 0.97 1.88 -0.02 0.00 -2.13 0.00 0.00 31.29 31.99 1al6 h VAL 405 CO 0.06 0.49 -0.74 -0.07 -1.23 0.00 0.00 177.57 176.08 1al6 h LEU 406 N 0.06 0.00 -0.40 4.19 3.38 -1.17 -1.59 115.31 119.78 1al6 h LEU 406 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1al6 h LEU 406 Cb 0.90 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1al6 h LEU 406 CO 0.07 0.74 0.07 0.00 0.09 0.00 0.00 178.44 179.41 1al6 h ALA 407 N 1.26 0.53 -0.55 1.53 0.00 -1.25 -2.73 119.26 118.06 1al6 h ALA 407 Ca -0.01 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1al6 h ALA 407 Cb 1.44 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1al6 h ALA 407 CO 0.10 0.24 0.08 0.37 0.00 0.00 0.00 179.25 180.04 1al6 h GLN 408 N 0.52 0.92 -0.87 0.00 5.75 -1.40 -2.97 115.11 117.06 1al6 h GLN 408 Ca 0.12 -0.25 0.15 0.00 -0.15 0.00 0.00 58.65 58.52 1al6 h GLN 408 Cb 0.36 -0.10 -0.09 0.00 1.07 0.00 0.00 27.48 28.72 1al6 h GLN 408 CO 0.01 0.90 0.47 1.25 -2.65 0.00 0.00 178.83 178.80 1al6 h LEU 409 N 0.81 0.59 -0.19 -2.39 5.85 -1.15 0.30 115.31 119.13 1al6 h LEU 409 Ca 0.17 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 1al6 h LEU 409 Cb 0.43 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1al6 h LEU 409 CO 0.01 0.25 0.11 0.40 -0.34 0.00 0.00 178.44 178.88 1al6 h ILE 410 N 0.67 1.08 -0.89 4.05 2.04 -1.33 -2.70 117.51 120.43 1al6 h ILE 410 Ca 0.48 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 66.13 1al6 h ILE 410 Cb 0.66 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 1al6 h ILE 410 CO -0.36 0.07 0.51 -0.50 0.00 0.00 0.00 178.15 177.87 1al6 h TRP 411 N 0.23 1.20 -0.51 1.37 4.06 -1.07 -0.19 115.95 121.04 1al6 h TRP 411 Ca 0.07 -0.02 0.05 0.00 2.06 0.00 0.00 58.89 61.05 1al6 h TRP 411 Cb 0.02 -0.39 -0.05 0.00 -1.00 0.00 0.00 29.16 27.75 1al6 h TRP 411 CO -0.05 0.82 0.25 0.77 -3.56 0.00 0.00 178.44 176.66 1al6 h SER 412 N 1.24 0.34 0.05 -3.49 0.02 -0.22 0.32 113.55 111.82 1al6 h SER 412 Ca 0.32 0.03 -0.19 0.00 -0.84 0.00 0.00 61.79 61.11 1al6 h SER 412 Cb -0.00 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 1al6 h SER 412 CO -0.05 0.23 -0.68 0.03 -1.14 0.00 0.00 176.83 175.22 1al6 h ARG 413 N 0.48 0.58 -0.74 3.45 2.47 -1.29 -0.91 114.38 118.42 1al6 h ARG 413 Ca 0.23 -0.43 0.02 0.00 -1.26 0.00 0.00 59.98 58.53 1al6 h ARG 413 Cb 0.16 0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.52 1al6 h ARG 413 CO -0.17 1.06 0.48 0.00 0.56 0.00 0.00 179.97 181.89 1al6 h ALA 414 N 0.83 0.95 -0.00 0.04 0.00 -0.45 -2.10 119.26 118.53 1al6 h ALA 414 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1al6 h ALA 414 Cb 1.26 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1al6 h ALA 414 CO 0.13 0.32 -0.01 1.28 0.00 0.00 0.00 179.25 180.96 1al6 n LEU 415 N -4.60 0.16 -1.16 0.00 4.77 0.05 -4.94 117.00 111.29 1al6 n LEU 415 Ca 0.07 0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 55.99 1al6 n LEU 415 Cb 0.04 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1al6 n LEU 415 CO 0.35 0.03 -0.13 0.61 -1.33 0.00 0.00 177.39 176.92 1al6 n GLY 416 N 1.12 0.00 3.72 -0.72 0.00 -0.79 -4.97 105.19 103.56 1al6 n GLY 416 Ca 0.20 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 1al6 n GLY 416 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1al6 n PHE 417 N -3.95 2.71 -2.20 1.61 3.72 -0.39 -4.98 117.46 113.99 1al6 n PHE 417 Ca -0.12 0.22 -0.28 0.00 -0.05 0.00 0.00 57.45 57.22 1al6 n PHE 417 Cb 0.58 -2.60 0.17 0.00 -0.94 0.00 0.00 39.48 36.69 1al6 n PHE 417 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1al6 s PRO 418 N 0.01 0.85 0.14 -1.08 0.04 -1.26 -4.90 135.00 128.80 1al6 s PRO 418 Ca 0.68 -0.78 -0.34 0.00 0.04 0.00 0.00 61.00 60.60 1al6 s PRO 418 Cb -0.53 -2.02 -0.16 0.00 0.04 0.00 0.00 34.50 31.83 1al6 s PRO 418 CO 0.44 -2.17 1.24 -0.11 0.04 0.00 0.00 177.00 176.44 1al6 n LEU 419 N -3.48 1.64 -4.64 -3.56 7.94 -1.25 -4.90 117.00 108.74 1al6 n LEU 419 Ca 0.16 1.13 -0.42 0.00 -1.11 0.00 0.00 56.01 55.78 1al6 n LEU 419 Cb 0.60 -1.21 -0.04 0.00 0.53 0.00 0.00 43.42 43.30 1al6 n LEU 419 CO 0.43 -1.17 0.72 -0.70 -1.11 0.00 0.00 177.39 175.57 1al6 s GLU 420 N -0.03 4.18 -0.44 1.96 2.12 -1.26 -4.95 118.70 120.28 1al6 s GLU 420 Ca 0.77 1.02 0.06 0.00 0.36 0.00 0.00 54.97 57.19 1al6 s GLU 420 Cb -0.88 -3.65 0.18 0.00 0.26 0.00 0.00 34.13 30.03 1al6 s GLU 420 CO 0.50 -0.57 0.60 0.50 -0.54 0.00 0.00 175.26 175.74 1al6 s ARG 421 N 2.97 0.88 0.80 4.30 3.00 -1.26 -5.04 118.95 124.61 1al6 s ARG 421 Ca 0.37 -0.79 -0.11 0.00 -1.00 0.00 0.00 55.73 54.20 1al6 s ARG 421 Cb -0.15 -0.22 0.08 0.00 0.00 0.00 0.00 34.95 34.66 1al6 s ARG 421 CO 0.08 -1.25 1.16 -1.25 0.00 0.00 0.00 175.30 174.03 1al6 s PRO 422 N 1.30 1.99 0.01 5.12 0.04 -1.26 -5.06 135.00 137.14 1al6 s PRO 422 Ca 0.22 0.06 -0.17 0.00 0.04 0.00 0.00 61.00 61.15 1al6 s PRO 422 Cb -0.04 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 1al6 s PRO 422 CO -0.06 -1.55 0.49 0.21 0.04 0.00 0.00 177.00 176.12 1al6 s LYS 423 N -5.53 4.10 0.42 4.56 2.47 -1.26 -5.09 119.74 119.41 1al6 s LYS 423 Ca 0.62 0.56 0.08 0.00 -1.56 0.00 0.00 55.97 55.66 1al6 s LYS 423 Cb -0.11 -3.26 -0.02 0.00 -1.46 0.00 0.00 37.83 32.98 1al6 s LYS 423 CO 0.48 0.58 0.40 -1.54 0.16 0.00 0.00 175.35 175.44 1al6 s SER 424 N -0.81 5.11 0.02 1.43 1.04 -1.26 -5.13 113.70 114.10 1al6 s SER 424 Ca 0.26 -0.72 -0.05 0.00 0.48 0.00 0.00 55.95 55.92 1al6 s SER 424 Cb -0.18 -0.56 -0.01 0.00 0.10 0.00 0.00 66.02 65.37 1al6 s SER 424 CO 0.15 -0.67 0.09 -0.32 0.98 0.00 0.00 173.24 173.47 1al6 s MET 425 N -4.16 0.51 0.32 4.02 1.75 -1.26 -5.12 119.30 115.36 1al6 s MET 425 Ca 0.49 -0.62 -0.00 0.00 -1.25 0.00 0.00 55.69 54.31 1al6 s MET 425 Cb -0.04 0.20 -0.04 0.00 2.84 0.00 0.00 34.83 37.80 1al6 s MET 425 CO 0.28 -0.12 0.53 -1.54 -0.65 0.00 0.00 175.02 173.52 1al6 s SER 426 N -1.78 6.33 0.21 1.11 1.04 -1.26 -4.95 113.70 114.39 1al6 s SER 426 Ca -0.10 0.47 -0.10 0.00 0.48 0.00 0.00 55.95 56.71 1al6 s SER 426 Cb -0.05 -2.04 0.23 0.00 0.10 0.00 0.00 66.02 64.27 1al6 s SER 426 CO -0.02 -0.25 1.79 0.74 0.98 0.00 0.00 173.24 176.49 1al6 h THR 427 N 0.94 0.93 -0.37 2.02 2.02 -2.02 0.39 112.91 116.82 1al6 h THR 427 Ca -0.49 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 1al6 h THR 427 Cb 1.21 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1al6 h THR 427 CO 0.63 0.11 0.22 0.00 0.37 0.00 0.00 175.52 176.85 1al6 h ALA 428 N 1.35 0.47 -0.65 6.16 0.00 -1.99 0.98 119.26 125.58 1al6 h ALA 428 Ca 0.29 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1al6 h ALA 428 Cb 0.22 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1al6 h ALA 428 CO -0.20 -0.02 0.32 0.78 0.00 0.00 0.00 179.25 180.13 1al6 h GLY 429 N 0.48 1.00 1.03 0.00 0.00 -1.84 -1.45 103.07 102.29 1al6 h GLY 429 Ca 0.13 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 1al6 h GLY 429 CO -0.02 0.47 0.25 -2.00 0.00 0.00 0.00 176.54 175.24 1al6 h LEU 430 N 0.90 0.97 -0.42 3.11 5.85 -0.65 0.45 115.31 125.53 1al6 h LEU 430 Ca 0.23 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1al6 h LEU 430 Cb 0.10 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1al6 h LEU 430 CO -0.03 0.89 0.26 -0.33 -0.34 0.00 0.00 178.44 178.90 1al6 h GLU 431 N 0.99 0.52 -0.26 1.25 5.08 -0.43 -2.14 114.58 119.60 1al6 h GLU 431 Ca 0.23 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.58 1al6 h GLU 431 Cb 0.24 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1al6 h GLU 431 CO -0.01 0.34 0.10 -0.22 -1.00 0.00 0.00 179.01 178.22 1al6 h LYS 432 N 0.54 0.22 -1.12 2.33 3.64 -0.93 0.93 116.57 122.17 1al6 h LYS 432 Ca 0.16 -0.01 0.32 0.00 -1.27 0.00 0.00 60.65 59.85 1al6 h LYS 432 Cb -0.04 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 1al6 h LYS 432 CO -0.05 0.14 0.80 1.25 -2.27 0.00 0.00 179.45 179.33 1al6 h LEU 433 N 0.22 0.02 0.00 5.20 5.85 -0.28 -3.19 115.31 123.13 1al6 h LEU 433 Ca 0.11 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.60 1al6 h LEU 433 Cb 0.07 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1al6 h LEU 433 CO -0.10 0.00 -1.68 -1.20 -0.34 0.00 0.00 178.44 175.12 1al6 n SER 434 N -4.22 1.49 0.00 1.25 7.64 -0.59 -5.03 113.62 114.16 1al6 n SER 434 Ca 0.24 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.37 1al6 n SER 434 Cb 1.17 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1al6 n SER 434 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1al6 n ALA 435 N -3.98 0.00 0.00 -0.43 0.00 0.30 -5.11 120.51 111.29 1al6 n ALA 435 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1al6 n ALA 435 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 1al6 n ALA 435 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1al6 n GLY 436 N 0.00 2.28 0.00 0.00 0.00 0.02 -4.69 105.19 102.80 1al6 n GLY 436 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1al6 n GLY 436 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93