#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bav n ARG 2 N 0.00 0.67 -4.09 0.00 3.00 -1.26 -4.98 116.66 110.00 1bav n ARG 2 Ca 0.00 0.08 -0.07 0.00 -0.01 0.00 0.00 57.85 57.85 1bav n ARG 2 Cb 0.00 -1.62 -0.10 0.00 0.00 0.00 0.00 32.46 30.74 1bav n ARG 2 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1bav s SER 3 N -5.63 0.48 0.00 0.55 0.15 -1.26 -5.00 113.70 102.99 1bav s SER 3 Ca -0.08 -0.99 0.11 0.00 0.70 0.00 0.00 55.95 55.69 1bav s SER 3 Cb 0.07 0.20 0.65 0.00 -1.71 0.00 0.00 66.02 65.23 1bav s SER 3 CO 0.83 -0.60 1.08 0.35 1.20 0.00 0.00 173.24 176.10 1bav n THR 4 N 0.13 0.00 0.87 6.45 -2.24 -1.26 -0.86 114.28 117.37 1bav n THR 4 Ca -0.14 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.76 1bav n THR 4 Cb 0.61 -0.67 0.12 0.00 -2.10 0.00 0.00 70.33 68.29 1bav n THR 4 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1bav n ASN 5 N -0.89 3.06 0.00 3.42 4.13 -1.26 -3.93 115.26 119.79 1bav n ASN 5 Ca 0.08 -1.99 0.00 0.00 1.68 0.00 0.00 54.58 54.35 1bav n ASN 5 Cb 0.04 -0.04 0.00 0.00 -1.54 0.00 0.00 39.78 38.23 1bav n ASN 5 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1bav n THR 6 N 1.36 0.74 -2.57 3.41 -2.24 -0.04 -5.04 114.28 109.90 1bav n THR 6 Ca 0.15 -0.81 -0.41 0.00 -2.27 0.00 0.00 64.05 60.70 1bav n THR 6 Cb 0.59 0.65 -0.04 0.00 -2.10 0.00 0.00 70.33 69.43 1bav n THR 6 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1bav s PHE 7 N -0.74 3.65 -0.59 4.78 5.36 -1.15 -4.66 117.98 124.64 1bav s PHE 7 Ca 0.00 1.65 -0.24 0.00 -0.96 0.00 0.00 56.93 57.38 1bav s PHE 7 Cb 0.00 -3.22 0.04 0.00 -0.34 0.00 0.00 43.02 39.51 1bav s PHE 7 CO 0.00 -0.40 0.99 1.21 -1.46 0.00 0.00 175.22 175.56 1bav s ASN 8 N -0.12 6.31 0.00 6.13 3.84 -1.26 -4.86 114.94 124.98 1bav s ASN 8 Ca 0.49 -0.42 0.29 0.00 0.21 0.00 0.00 52.86 53.42 1bav s ASN 8 Cb -0.28 -2.45 1.17 0.00 -0.55 0.00 0.00 41.25 39.14 1bav s ASN 8 CO 0.34 -1.33 1.86 -1.22 -2.79 0.00 0.00 177.10 173.95 1bav n TYR 9 N 7.74 0.00 -1.23 0.43 4.01 -1.26 -3.77 117.16 123.07 1bav n TYR 9 Ca 0.01 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.59 1bav n TYR 9 Cb 0.47 -0.35 0.21 0.00 -0.31 0.00 0.00 39.34 39.36 1bav n TYR 9 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bav n ALA 10 N -1.35 5.17 -2.36 -0.72 0.00 -1.26 -4.57 120.51 115.41 1bav n ALA 10 Ca 0.10 -2.84 -0.09 0.00 0.00 0.00 0.00 53.44 50.60 1bav n ALA 10 Cb 0.31 -1.28 -0.09 0.00 0.00 0.00 0.00 19.45 18.39 1bav n ALA 10 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1bav s THR 11 N -3.23 0.11 -0.11 0.00 -1.32 -1.25 -4.66 115.64 105.18 1bav s THR 11 Ca 0.54 -1.67 -0.13 0.00 -1.21 0.00 0.00 61.69 59.22 1bav s THR 11 Cb 0.46 -1.87 -0.05 0.00 -1.51 0.00 0.00 72.50 69.53 1bav s THR 11 CO 0.09 -0.48 0.31 -0.31 -2.21 0.00 0.00 174.62 172.02 1bav s TYR 12 N -3.99 3.55 0.39 9.09 2.02 -1.26 -4.99 117.35 122.16 1bav s TYR 12 Ca 0.18 0.70 0.08 0.00 -0.37 0.00 0.00 57.07 57.67 1bav s TYR 12 Cb 0.06 -2.28 -0.04 0.00 -0.40 0.00 0.00 41.96 39.30 1bav s TYR 12 CO -0.01 0.42 0.23 -1.01 -1.57 0.00 0.00 175.55 173.61 1bav s HIS 13 N -0.15 2.68 0.69 2.71 3.76 -1.26 -5.15 115.29 118.57 1bav s HIS 13 Ca 0.19 -0.48 0.02 0.00 -0.15 0.00 0.00 55.06 54.63 1bav s HIS 13 Cb -0.14 -1.91 0.12 0.00 1.11 0.00 0.00 32.58 31.75 1bav s HIS 13 CO 0.07 0.15 0.95 0.95 -0.85 0.00 0.00 174.74 176.00 1bav s THR 14 N -2.49 2.15 0.07 1.30 -4.23 -1.26 -4.95 115.64 106.23 1bav s THR 14 Ca 0.42 -0.68 -0.29 0.00 -1.18 0.00 0.00 61.69 59.96 1bav s THR 14 Cb -0.01 -2.47 -0.17 0.00 1.34 0.00 0.00 72.50 71.19 1bav s THR 14 CO 0.24 0.00 1.63 0.25 -0.54 0.00 0.00 174.62 176.20 1bav h LEU 15 N -0.36 -0.46 -0.56 4.79 6.46 -1.96 -2.55 115.31 120.66 1bav h LEU 15 Ca -0.35 -0.01 0.08 0.00 -0.12 0.00 0.00 57.88 57.48 1bav h LEU 15 Cb 1.27 0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 41.26 1bav h LEU 15 CO 0.40 -0.30 0.22 0.44 -0.62 0.00 0.00 178.44 178.58 1bav h ASP 16 N -0.58 0.24 -0.33 1.25 3.32 -1.98 -0.19 116.42 118.15 1bav h ASP 16 Ca -0.06 0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.11 1bav h ASP 16 Cb 0.43 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 1bav h ASP 16 CO 0.09 0.15 0.07 -0.33 -1.72 0.00 0.00 179.24 177.50 1bav h GLU 17 N 0.41 0.18 -0.29 3.56 5.08 -1.93 0.70 114.58 122.28 1bav h GLU 17 Ca 0.28 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.47 1bav h GLU 17 Cb 0.30 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1bav h GLU 17 CO -0.27 0.12 -0.44 0.82 -1.00 0.00 0.00 179.01 178.24 1bav h ILE 18 N 0.18 1.29 -0.42 3.13 2.04 -1.00 0.04 117.51 122.77 1bav h ILE 18 Ca 0.15 -1.62 -0.07 0.00 1.00 0.00 0.00 64.86 64.32 1bav h ILE 18 Cb 0.16 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1bav h ILE 18 CO -0.20 0.53 -0.03 1.88 0.00 0.00 0.00 178.15 180.33 1bav h TYR 19 N 0.60 0.74 -0.03 1.37 -1.99 -0.77 -1.68 116.97 115.22 1bav h TYR 19 Ca 0.04 -0.10 -0.17 0.00 2.00 0.00 0.00 58.73 60.50 1bav h TYR 19 Cb 1.00 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 39.51 1bav h TYR 19 CO 0.05 0.72 -0.72 -0.44 -0.00 0.00 0.00 178.16 177.77 1bav h ASP 20 N 0.65 0.23 -0.59 3.88 3.32 -0.70 -2.99 116.42 120.22 1bav h ASP 20 Ca 0.13 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1bav h ASP 20 Cb 0.45 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1bav h ASP 20 CO 0.02 0.87 0.29 0.15 -1.72 0.00 0.00 179.24 178.86 1bav h PHE 21 N 0.13 0.83 -0.93 4.55 3.57 -0.52 -1.53 116.94 123.03 1bav h PHE 21 Ca -0.02 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.50 1bav h PHE 21 Cb 1.28 -0.26 -0.06 0.00 2.79 0.00 0.00 35.95 39.70 1bav h PHE 21 CO 0.02 0.63 0.61 0.52 -2.23 0.00 0.00 178.31 177.85 1bav h MET 22 N 0.79 1.07 -0.47 1.11 2.86 -1.20 -0.20 114.93 118.89 1bav h MET 22 Ca 0.20 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.70 1bav h MET 22 Cb 0.10 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 1bav h MET 22 CO -0.03 0.71 -0.00 -0.44 1.06 0.00 0.00 176.91 178.20 1bav h ASP 23 N 1.10 0.81 -0.92 1.22 3.32 -1.30 -1.92 116.42 118.73 1bav h ASP 23 Ca 0.39 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 57.14 1bav h ASP 23 Cb 0.14 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.42 1bav h ASP 23 CO -0.14 0.92 0.61 -0.07 -1.72 0.00 0.00 179.24 178.84 1bav h LEU 24 N 0.68 1.05 0.17 1.55 3.38 -0.28 -1.07 115.31 120.79 1bav h LEU 24 Ca 0.13 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1bav h LEU 24 Cb 0.51 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1bav h LEU 24 CO 0.02 0.76 -0.08 0.25 0.09 0.00 0.00 178.44 179.48 1bav h LEU 25 N 1.24 -0.19 -1.01 1.67 5.85 -0.77 -2.03 115.31 120.07 1bav h LEU 25 Ca 0.34 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.99 1bav h LEU 25 Cb -0.13 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 1bav h LEU 25 CO -0.08 -0.03 0.67 0.58 -0.34 0.00 0.00 178.44 179.24 1bav h VAL 26 N -0.34 1.25 -0.51 1.05 2.07 -1.17 -0.47 116.25 118.14 1bav h VAL 26 Ca -0.02 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1bav h VAL 26 Cb 0.27 -0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 29.79 1bav h VAL 26 CO 0.04 0.25 0.15 0.00 0.02 0.00 0.00 177.57 178.03 1bav h ALA 27 N 1.37 1.31 0.00 1.67 0.00 -1.06 -2.34 119.26 120.22 1bav h ALA 27 Ca 0.37 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1bav h ALA 27 Cb -0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1bav h ALA 27 CO -0.08 0.50 -0.98 1.96 0.00 0.00 0.00 179.25 180.64 1bav h GLN 28 N 0.74 0.00 -2.05 0.00 4.20 -0.82 -3.38 115.11 113.81 1bav h GLN 28 Ca 0.17 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.36 1bav h GLN 28 Cb 0.23 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 27.60 1bav h GLN 28 CO -0.01 0.38 -0.96 0.72 -0.67 0.00 0.00 178.83 178.29 1bav n HIS 29 N -3.03 1.92 -0.24 2.96 8.25 -0.23 -4.97 115.22 119.87 1bav n HIS 29 Ca -0.04 -3.82 0.21 0.00 -0.26 0.00 0.00 57.72 53.81 1bav n HIS 29 Cb 0.78 -0.43 0.55 0.00 1.12 0.00 0.00 29.99 32.01 1bav n HIS 29 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1bav h PRO 30 N 2.98 0.32 0.00 -0.41 0.13 -1.61 -1.79 132.00 131.62 1bav h PRO 30 Ca 0.11 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1bav h PRO 30 Cb 0.79 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1bav h PRO 30 CO 0.64 0.21 -0.57 1.49 -0.23 0.00 0.00 178.00 179.54 1bav h GLU 31 N 0.33 0.00 0.00 0.86 4.57 -1.93 -3.38 114.58 115.03 1bav h GLU 31 Ca 0.47 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 58.29 1bav h GLU 31 Cb 1.29 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.81 1bav h GLU 31 CO -0.16 0.00 -2.31 -0.11 -1.18 0.00 0.00 179.01 175.25 1bav n LEU 32 N -2.73 0.53 -4.01 1.64 7.94 -0.83 -4.77 117.00 114.77 1bav n LEU 32 Ca 0.02 0.04 -0.21 0.00 -1.11 0.00 0.00 56.01 54.75 1bav n LEU 32 Cb 0.52 0.25 -0.16 0.00 0.53 0.00 0.00 43.42 44.57 1bav n LEU 32 CO 0.37 0.55 -0.44 0.54 -1.11 0.00 0.00 177.39 177.30 1bav s VAL 33 N -2.51 0.83 0.10 1.96 0.11 -0.74 -0.97 120.40 119.19 1bav s VAL 33 Ca -0.13 -0.38 0.08 0.00 -2.93 0.00 0.00 61.98 58.63 1bav s VAL 33 Cb 0.07 -0.74 -0.03 0.00 -1.53 0.00 0.00 36.38 34.14 1bav s VAL 33 CO 0.80 0.26 -0.21 -0.44 -3.33 0.00 0.00 175.10 172.18 1bav s SER 34 N 0.24 2.52 -0.23 3.54 0.01 -0.62 -4.61 113.70 114.56 1bav s SER 34 Ca -0.04 -0.69 -0.06 0.00 1.31 0.00 0.00 55.95 56.47 1bav s SER 34 Cb -0.09 -0.14 -0.02 0.00 0.21 0.00 0.00 66.02 65.98 1bav s SER 34 CO 0.01 0.05 0.02 -0.75 0.41 0.00 0.00 173.24 172.98 1bav s LYS 35 N -1.92 3.54 0.16 12.44 2.20 -1.26 -1.01 119.74 133.89 1bav s LYS 35 Ca 0.06 -0.54 0.07 0.00 -0.36 0.00 0.00 55.97 55.20 1bav s LYS 35 Cb -0.10 -3.17 -0.04 0.00 -1.51 0.00 0.00 37.83 33.01 1bav s LYS 35 CO 0.04 -0.18 0.01 -0.51 -0.36 0.00 0.00 175.35 174.36 1bav s LEU 36 N 1.51 3.38 -0.32 5.43 1.43 0.47 -4.96 118.68 125.62 1bav s LEU 36 Ca 0.06 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 52.80 1bav s LEU 36 Cb -0.15 -2.04 0.06 0.00 0.03 0.00 0.00 46.19 44.09 1bav s LEU 36 CO 0.01 0.10 0.04 -1.58 0.23 0.00 0.00 176.35 175.14 1bav s GLN 37 N -2.88 2.32 0.00 1.70 0.74 -1.26 -1.13 119.66 119.15 1bav s GLN 37 Ca 0.28 -1.38 0.27 0.00 0.05 0.00 0.00 55.36 54.57 1bav s GLN 37 Cb -0.10 -3.25 0.80 0.00 1.10 0.00 0.00 33.01 31.56 1bav s GLN 37 CO 0.19 -0.71 1.59 0.44 -0.55 0.00 0.00 175.29 176.26 1bav n ILE 38 N 4.60 0.00 -3.57 -2.34 -5.35 -0.25 -4.99 119.36 107.46 1bav n ILE 38 Ca -0.11 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1bav n ILE 38 Cb 0.43 0.32 0.00 0.00 -1.74 0.00 0.00 39.64 38.65 1bav n ILE 38 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bav n GLY 39 N 1.34 -0.97 2.99 3.28 0.00 -1.23 -4.82 105.19 105.78 1bav n GLY 39 Ca 0.12 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 45.00 1bav n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bav s ARG 40 N -1.15 0.48 1.26 1.61 0.52 -1.26 -0.58 118.95 119.83 1bav s ARG 40 Ca 0.00 -0.33 -0.21 0.00 -0.52 0.00 0.00 55.73 54.68 1bav s ARG 40 Cb 0.00 -0.41 0.31 0.00 0.52 0.00 0.00 34.95 35.37 1bav s ARG 40 CO 0.00 0.11 1.09 -1.54 0.02 0.00 0.00 175.30 174.97 1bav s SER 41 N -0.45 0.39 0.28 0.23 1.04 0.87 -4.74 113.70 111.31 1bav s SER 41 Ca -0.00 0.58 -0.02 0.00 0.48 0.00 0.00 55.95 56.99 1bav s SER 41 Cb -0.04 -0.77 0.38 0.00 0.10 0.00 0.00 66.02 65.69 1bav s SER 41 CO -0.00 -4.44 1.85 0.22 0.98 0.00 0.00 173.24 171.84 1bav h TYR 42 N -2.80 0.93 -0.21 5.02 3.20 -1.96 -0.95 116.97 120.19 1bav h TYR 42 Ca -0.43 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.38 1bav h TYR 42 Cb 1.29 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.28 1bav h TYR 42 CO -2.67 0.73 0.00 0.39 -1.64 0.00 0.00 178.16 174.96 1bav n GLU 43 N -4.30 1.62 -0.20 1.82 1.02 -1.26 -4.91 120.64 114.42 1bav n GLU 43 Ca 0.05 -0.82 0.00 0.00 -0.02 0.00 0.00 57.16 56.37 1bav n GLU 43 Cb 0.19 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1bav n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bav n GLY 44 N 0.75 1.42 3.76 0.62 0.00 -0.36 -5.05 105.19 106.33 1bav n GLY 44 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1bav n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bav s ARG 45 N -0.41 3.08 0.52 1.61 0.52 -1.26 -4.58 118.95 118.42 1bav s ARG 45 Ca 0.00 1.64 -0.20 0.00 -0.52 0.00 0.00 55.73 56.65 1bav s ARG 45 Cb 0.00 -1.96 -0.07 0.00 0.52 0.00 0.00 34.95 33.44 1bav s ARG 45 CO 0.00 -1.08 1.11 -1.25 0.02 0.00 0.00 175.30 174.10 1bav s PRO 46 N -3.48 3.53 -0.31 3.54 0.04 -1.26 -0.09 135.00 136.97 1bav s PRO 46 Ca 0.73 1.57 -0.01 0.00 0.04 0.00 0.00 61.00 63.32 1bav s PRO 46 Cb -0.25 -2.09 0.06 0.00 0.04 0.00 0.00 34.50 32.26 1bav s PRO 46 CO 0.32 -0.69 0.01 0.42 0.04 0.00 0.00 177.00 177.10 1bav s ILE 47 N -1.79 2.95 0.13 0.56 1.01 0.26 -4.76 121.20 119.55 1bav s ILE 47 Ca 0.70 -1.48 0.02 0.00 0.00 0.00 0.00 60.65 59.90 1bav s ILE 47 Cb -0.23 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 1bav s ILE 47 CO 0.26 -0.16 0.25 -0.31 0.00 0.00 0.00 174.94 174.98 1bav s TYR 48 N 1.23 3.45 -0.01 3.97 2.02 -1.26 -1.09 117.35 125.67 1bav s TYR 48 Ca -0.04 0.13 0.00 0.00 -0.37 0.00 0.00 57.07 56.80 1bav s TYR 48 Cb -0.20 -1.67 0.00 0.00 -0.40 0.00 0.00 41.96 39.69 1bav s TYR 48 CO -0.02 0.53 -0.01 0.08 -1.57 0.00 0.00 175.55 174.56 1bav s VAL 49 N -1.68 0.13 -0.23 0.71 1.01 -0.29 -4.47 120.40 115.58 1bav s VAL 49 Ca 0.34 -0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.19 1bav s VAL 49 Cb -0.11 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 36.09 1bav s VAL 49 CO 0.28 0.05 0.13 -0.76 0.00 0.00 0.00 175.10 174.80 1bav s LEU 50 N 0.15 3.97 -0.24 3.92 1.43 -0.23 -0.39 118.68 127.30 1bav s LEU 50 Ca -0.01 0.07 -0.08 0.00 -1.03 0.00 0.00 54.13 53.08 1bav s LEU 50 Cb -0.03 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1bav s LEU 50 CO -0.00 0.08 0.10 -0.75 0.23 0.00 0.00 176.35 176.01 1bav s LYS 51 N 0.94 3.84 -0.20 1.70 2.20 -0.18 -0.36 119.74 127.68 1bav s LYS 51 Ca 0.06 -0.39 -0.06 0.00 -0.36 0.00 0.00 55.97 55.22 1bav s LYS 51 Cb -0.13 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.78 1bav s LYS 51 CO 0.03 -0.03 0.03 -0.06 -0.36 0.00 0.00 175.35 174.95 1bav s PHE 52 N 1.24 3.11 0.07 4.03 0.40 0.61 -1.59 117.98 125.85 1bav s PHE 52 Ca 0.05 -0.26 -0.26 0.00 -0.60 0.00 0.00 56.93 55.86 1bav s PHE 52 Cb -0.14 -2.09 0.08 0.00 0.51 0.00 0.00 43.02 41.37 1bav s PHE 52 CO 0.04 -0.11 0.68 0.45 0.70 0.00 0.00 175.22 176.98 1bav s SER 53 N 0.83 -0.55 0.00 1.36 0.15 -0.14 -1.45 113.70 113.89 1bav s SER 53 Ca 0.02 0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.87 1bav s SER 53 Cb -0.14 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1bav s SER 53 CO 0.02 -0.80 0.14 0.35 1.20 0.00 0.00 173.24 174.16 1bav n THR 54 N 0.03 0.00 -2.59 6.45 -2.24 -1.26 -4.36 114.28 110.32 1bav n THR 54 Ca -0.16 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1bav n THR 54 Cb 0.62 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 1bav n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bav n GLY 55 N 0.53 -1.65 0.00 3.38 0.00 -1.26 -5.10 105.19 101.09 1bav n GLY 55 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1bav n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bav n GLY 56 N -0.21 -1.05 0.02 -0.02 0.00 -1.26 -4.70 105.19 97.97 1bav n GLY 56 Ca 0.00 -1.64 0.05 0.00 0.00 0.00 0.00 46.02 44.44 1bav n GLY 56 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bav n SER 57 N -1.21 1.15 -2.66 1.61 3.41 -1.26 -4.86 113.62 109.81 1bav n SER 57 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 1bav n SER 57 Cb 0.00 1.59 0.11 0.00 -0.26 0.00 0.00 64.21 65.65 1bav n SER 57 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1bav n ASN 58 N -2.18 -1.12 -4.41 4.04 5.15 -1.26 -5.17 115.26 110.31 1bav n ASN 58 Ca -0.08 -1.69 -0.31 0.00 -0.60 0.00 0.00 54.58 51.91 1bav n ASN 58 Cb 0.55 1.08 0.20 0.00 -0.53 0.00 0.00 39.78 41.08 1bav n ASN 58 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1bav n ARG 59 N 0.42 -1.67 -1.68 1.20 1.74 -1.26 -4.91 116.66 110.50 1bav n ARG 59 Ca -0.08 -0.46 -0.34 0.00 -0.77 0.00 0.00 57.85 56.20 1bav n ARG 59 Cb 0.76 -1.97 0.06 0.00 -1.02 0.00 0.00 32.46 30.29 1bav n ARG 59 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1bav s PRO 60 N -3.95 2.54 0.31 5.56 0.02 -1.26 -4.74 135.00 133.49 1bav s PRO 60 Ca 0.62 1.69 0.04 0.00 0.02 0.00 0.00 61.00 63.37 1bav s PRO 60 Cb -0.19 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.40 1bav s PRO 60 CO 0.65 -1.51 0.17 0.00 -0.33 0.00 0.00 177.00 175.98 1bav s ALA 61 N -1.95 2.01 -0.15 -1.55 0.00 -0.55 -2.48 121.76 117.07 1bav s ALA 61 Ca 0.73 -1.75 0.01 0.00 0.00 0.00 0.00 51.96 50.95 1bav s ALA 61 Cb -0.27 1.16 0.02 0.00 0.00 0.00 0.00 23.12 24.03 1bav s ALA 61 CO 0.41 -0.51 -0.15 0.42 0.00 0.00 0.00 175.76 175.92 1bav s ILE 62 N -3.57 1.66 -0.05 0.00 1.01 -0.25 -1.23 121.20 118.78 1bav s ILE 62 Ca 0.35 -0.69 -0.12 0.00 0.00 0.00 0.00 60.65 60.19 1bav s ILE 62 Cb 0.05 -1.55 -0.05 0.00 0.01 0.00 0.00 42.46 40.92 1bav s ILE 62 CO 0.18 0.47 0.31 0.86 0.00 0.00 0.00 174.94 176.77 1bav s TRP 63 N 1.43 3.67 -0.14 3.97 -0.11 -1.05 -0.78 118.94 125.93 1bav s TRP 63 Ca 0.04 0.82 -0.04 0.00 1.22 0.00 0.00 56.10 58.14 1bav s TRP 63 Cb -0.13 -2.17 0.06 0.00 -1.50 0.00 0.00 33.47 29.73 1bav s TRP 63 CO -0.11 0.66 0.12 0.42 -4.62 0.00 0.00 176.95 173.42 1bav s ILE 64 N -0.99 -0.16 -0.00 5.86 1.01 -0.21 -0.70 121.20 126.02 1bav s ILE 64 Ca 0.20 0.04 0.07 0.00 0.00 0.00 0.00 60.65 60.96 1bav s ILE 64 Cb -0.15 -0.47 -0.03 0.00 0.01 0.00 0.00 42.46 41.83 1bav s ILE 64 CO 0.10 -0.11 -0.21 1.51 0.00 0.00 0.00 174.94 176.23 1bav s ASP 65 N 2.20 3.53 0.03 3.58 1.47 -0.44 -1.05 116.67 125.99 1bav s ASP 65 Ca 0.04 -0.40 0.03 0.00 1.18 0.00 0.00 52.55 53.40 1bav s ASP 65 Cb -0.15 -0.54 -0.02 0.00 -0.34 0.00 0.00 42.92 41.88 1bav s ASP 65 CO -0.08 0.30 -0.11 -0.76 0.68 0.00 0.00 175.17 175.20 1bav s LEU 66 N -0.97 2.15 0.00 2.11 1.02 -0.51 -0.68 118.68 121.81 1bav s LEU 66 Ca 0.12 -0.40 0.00 0.00 0.02 0.00 0.00 54.13 53.87 1bav s LEU 66 Cb -0.10 -0.43 0.00 0.00 0.02 0.00 0.00 46.19 45.68 1bav s LEU 66 CO 0.02 -0.02 0.00 0.61 0.02 0.00 0.00 176.35 176.98 1bav n GLY 67 N 2.04 0.54 0.27 -3.19 0.00 -1.24 -1.91 105.19 101.70 1bav n GLY 67 Ca -0.18 -0.83 0.15 0.00 0.00 0.00 0.00 46.02 45.17 1bav n GLY 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1bav h ILE 68 N 0.00 0.21 -3.64 -0.61 2.10 -1.90 -2.71 117.51 110.96 1bav h ILE 68 Ca 0.00 -0.63 -0.69 0.00 1.08 0.00 0.00 64.86 64.62 1bav h ILE 68 Cb 0.68 1.52 -0.33 0.00 -1.09 0.00 0.00 36.82 37.59 1bav h ILE 68 CO 0.00 0.07 -0.63 -1.00 -1.08 0.00 0.00 178.15 175.51 1bav s HIS 69 N -3.76 3.42 0.53 2.19 3.76 -1.26 -4.68 115.29 115.48 1bav s HIS 69 Ca 0.00 -2.10 0.22 0.00 -0.15 0.00 0.00 55.06 53.03 1bav s HIS 69 Cb 0.10 -2.61 1.38 0.00 1.11 0.00 0.00 32.58 32.56 1bav s HIS 69 CO 0.56 -0.87 2.08 0.66 -0.85 0.00 0.00 174.74 176.32 1bav h SER 70 N 8.02 0.00 1.14 1.40 4.64 -1.71 -2.66 113.55 124.38 1bav h SER 70 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1bav h SER 70 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1bav h SER 70 CO 0.60 0.00 0.00 0.08 -0.87 0.00 0.00 176.83 176.64 1bav h ARG 71 N 0.00 0.00 -3.55 4.77 0.11 -1.70 -3.36 114.38 110.65 1bav h ARG 71 Ca 0.11 0.00 -0.70 0.00 0.10 0.00 0.00 59.98 59.50 1bav h ARG 71 Cb 0.48 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.54 1bav h ARG 71 CO -0.00 0.00 3.33 0.39 0.10 0.00 0.00 179.97 183.79 1bav n GLU 72 N -2.59 3.28 0.02 0.08 1.02 -1.01 -4.74 120.64 116.71 1bav n GLU 72 Ca 0.03 -2.53 0.22 0.00 -0.02 0.00 0.00 57.16 54.86 1bav n GLU 72 Cb 0.33 -3.06 0.73 0.00 -0.02 0.00 0.00 31.44 29.42 1bav n GLU 72 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 1bav h TRP 73 N 5.56 0.00 0.00 -0.32 4.06 -1.78 0.10 115.95 123.57 1bav h TRP 73 Ca 0.68 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.62 1bav h TRP 73 Cb 0.49 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.65 1bav h TRP 73 CO 1.62 0.00 -0.08 0.97 -3.56 0.00 0.00 178.44 177.39 1bav h ILE 74 N 0.00 0.87 0.01 1.49 6.09 -1.86 -2.36 117.51 121.75 1bav h ILE 74 Ca 0.25 -0.30 -0.00 0.00 -1.37 0.00 0.00 64.86 63.44 1bav h ILE 74 Cb 1.23 1.17 0.00 0.00 0.47 0.00 0.00 36.82 39.68 1bav h ILE 74 CO -0.00 0.08 -0.01 0.71 -3.07 0.00 0.00 178.15 175.86 1bav h THR 75 N 0.00 1.30 -0.90 2.19 1.35 -1.13 -0.78 112.91 114.94 1bav h THR 75 Ca -0.00 -0.95 -0.02 0.00 -0.55 0.00 0.00 66.41 64.89 1bav h THR 75 Cb 0.16 1.95 -0.04 0.00 -1.73 0.00 0.00 68.15 68.48 1bav h THR 75 CO 0.01 0.25 0.50 1.56 -0.25 0.00 0.00 175.52 177.58 1bav h GLN 76 N -0.42 1.26 -0.07 4.72 7.50 -1.64 0.93 115.11 127.38 1bav h GLN 76 Ca -0.00 -0.15 -0.04 0.00 0.50 0.00 0.00 58.65 58.96 1bav h GLN 76 Cb 0.41 -0.25 -0.01 0.00 0.05 0.00 0.00 27.48 27.69 1bav h GLN 76 CO 0.00 0.92 -0.16 0.00 -1.50 0.00 0.00 178.83 178.10 1bav h ALA 77 N 1.27 1.61 0.03 3.87 0.00 -1.37 -1.39 119.26 123.28 1bav h ALA 77 Ca 0.32 -0.18 -0.27 0.00 0.00 0.00 0.00 54.91 54.78 1bav h ALA 77 Cb 0.03 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.78 1bav h ALA 77 CO -0.05 0.29 -1.08 1.15 0.00 0.00 0.00 179.25 179.55 1bav h THR 78 N 0.10 1.31 -0.29 0.00 2.02 -0.11 -2.66 112.91 113.29 1bav h THR 78 Ca 0.02 -2.37 0.01 0.00 0.77 0.00 0.00 66.41 64.84 1bav h THR 78 Cb 0.35 2.48 -0.02 0.00 -1.74 0.00 0.00 68.15 69.22 1bav h THR 78 CO 0.02 0.72 0.18 1.23 0.37 0.00 0.00 175.52 178.04 1bav h GLY 79 N 0.59 0.40 0.58 2.16 0.00 -0.09 0.13 103.07 106.85 1bav h GLY 79 Ca -0.13 -0.13 0.06 0.00 0.00 0.00 0.00 47.33 47.12 1bav h GLY 79 CO 0.21 0.12 0.15 -2.08 0.00 0.00 0.00 176.54 174.94 1bav h VAL 80 N 0.36 0.85 -0.58 4.60 2.07 -1.33 -0.82 116.25 121.40 1bav h VAL 80 Ca 0.11 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 1bav h VAL 80 Cb -0.01 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1bav h VAL 80 CO -0.05 0.06 0.07 -0.25 0.02 0.00 0.00 177.57 177.42 1bav h TRP 81 N 0.32 1.05 0.04 1.57 7.01 -1.03 -2.67 115.95 122.24 1bav h TRP 81 Ca 0.21 -0.16 0.01 0.00 2.11 0.00 0.00 58.89 61.06 1bav h TRP 81 Cb 0.21 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 26.96 1bav h TRP 81 CO -0.16 0.92 -0.11 0.74 -2.79 0.00 0.00 178.44 177.04 1bav h PHE 82 N 0.88 -0.28 -0.60 2.65 0.04 -0.21 -0.23 116.94 119.19 1bav h PHE 82 Ca 0.17 0.01 0.12 0.00 2.80 0.00 0.00 57.97 61.07 1bav h PHE 82 Cb 0.46 0.12 -0.09 0.00 2.20 0.00 0.00 35.95 38.64 1bav h PHE 82 CO 0.03 -0.17 0.09 0.00 -0.60 0.00 0.00 178.31 177.66 1bav h ALA 83 N 0.73 0.67 0.07 2.45 0.00 -1.05 0.11 119.26 122.24 1bav h ALA 83 Ca 0.03 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1bav h ALA 83 Cb 0.24 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1bav h ALA 83 CO -0.08 -0.34 -0.04 -0.22 0.00 0.00 0.00 179.25 178.57 1bav h LYS 84 N 0.21 -0.09 -0.88 0.00 1.63 -1.17 -3.12 116.57 113.15 1bav h LYS 84 Ca 0.31 0.01 0.17 0.00 -0.85 0.00 0.00 60.65 60.29 1bav h LYS 84 Cb 0.48 0.02 -0.10 0.00 -0.60 0.00 0.00 32.23 32.03 1bav h LYS 84 CO -0.43 0.10 0.44 -0.22 -3.45 0.00 0.00 179.45 175.88 1bav h LYS 85 N -0.27 0.55 -0.51 1.90 1.63 -0.31 -1.87 116.57 117.69 1bav h LYS 85 Ca -0.01 -0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.81 1bav h LYS 85 Cb 0.23 -0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 31.69 1bav h LYS 85 CO 0.02 0.36 0.24 0.74 -3.45 0.00 0.00 179.45 177.36 1bav h PHE 86 N 0.56 0.44 0.00 1.91 0.04 -0.75 0.15 116.94 119.29 1bav h PHE 86 Ca 0.50 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.30 1bav h PHE 86 Cb 0.81 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.83 1bav h PHE 86 CO -0.10 0.20 0.00 1.79 -0.60 0.00 0.00 178.31 179.61 1bav h THR 87 N 0.47 0.00 0.04 -1.55 1.35 -1.38 -2.28 112.91 109.56 1bav h THR 87 Ca 0.23 -0.36 -0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1bav h THR 87 Cb 0.16 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1bav h THR 87 CO -0.17 0.00 -0.02 -0.33 -0.25 0.00 0.00 175.52 174.75 1bav h GLU 88 N 0.00 -0.06 0.00 4.72 4.39 -0.62 -3.38 114.58 119.63 1bav h GLU 88 Ca 0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1bav h GLU 88 Cb 0.45 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1bav h GLU 88 CO 0.00 0.28 -0.30 -0.91 -1.16 0.00 0.00 179.01 176.92 1bav h ASN 89 N -0.99 0.00 -2.06 1.42 4.21 -1.09 -3.40 115.58 113.67 1bav h ASN 89 Ca -0.01 0.00 -0.51 0.00 1.21 0.00 0.00 56.30 56.99 1bav h ASN 89 Cb 0.36 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.53 1bav h ASN 89 CO 0.01 0.30 1.38 -0.47 -1.29 0.00 0.00 177.43 177.37 1bav s TYR 90 N -3.92 1.59 0.00 1.19 5.04 -0.86 -1.36 117.35 119.03 1bav s TYR 90 Ca -0.01 0.88 0.00 0.00 -2.44 0.00 0.00 57.07 55.49 1bav s TYR 90 Cb 0.12 -4.01 0.00 0.00 0.35 0.00 0.00 41.96 38.42 1bav s TYR 90 CO 0.67 -2.49 0.00 0.41 -1.34 0.00 0.00 175.55 172.79 1bav n GLY 91 N 5.69 3.64 0.05 8.97 0.00 -1.26 -4.94 105.19 117.34 1bav n GLY 91 Ca 0.24 -0.91 -0.01 0.00 0.00 0.00 0.00 46.02 45.34 1bav n GLY 91 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1bav h GLN 92 N 0.00 0.00 -6.31 1.61 1.08 -1.46 -3.45 115.11 106.58 1bav h GLN 92 Ca 0.00 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.63 1bav h GLN 92 Cb 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.39 1bav h GLN 92 CO 0.00 0.03 1.02 1.21 -0.95 0.00 0.00 178.83 180.15 1bav s ASN 93 N -5.58 6.59 0.23 1.46 3.84 -0.46 -4.92 114.94 116.10 1bav s ASN 93 Ca -0.01 1.41 -0.06 0.00 0.21 0.00 0.00 52.86 54.40 1bav s ASN 93 Cb -0.00 -2.54 0.35 0.00 -0.55 0.00 0.00 41.25 38.51 1bav s ASN 93 CO 0.03 -1.12 1.78 -0.65 -2.79 0.00 0.00 177.10 174.35 1bav h PRO 94 N 9.72 0.59 0.01 0.43 0.11 -1.87 -1.78 132.00 139.21 1bav h PRO 94 Ca -0.29 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.78 1bav h PRO 94 Cb 1.12 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1bav h PRO 94 CO 1.02 0.39 -0.01 1.03 -0.21 0.00 0.00 178.00 180.22 1bav h SER 95 N 0.61 -0.01 -0.13 -2.05 0.87 -1.96 -2.63 113.55 108.26 1bav h SER 95 Ca 0.36 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 1bav h SER 95 Cb 0.38 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1bav h SER 95 CO -0.27 0.17 -0.01 0.15 -0.53 0.00 0.00 176.83 176.34 1bav h PHE 96 N -0.19 0.25 -0.51 2.24 3.57 -1.78 -2.43 116.94 118.10 1bav h PHE 96 Ca -0.00 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.49 1bav h PHE 96 Cb 0.19 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 1bav h PHE 96 CO -0.02 0.49 0.34 0.00 -2.23 0.00 0.00 178.31 176.89 1bav h THR 97 N -0.05 1.04 -0.82 4.41 1.03 -1.41 0.22 112.91 117.33 1bav h THR 97 Ca 0.03 -0.19 0.01 0.00 -0.01 0.00 0.00 66.41 66.25 1bav h THR 97 Cb 0.39 0.44 -0.04 0.00 -1.07 0.00 0.00 68.15 67.88 1bav h THR 97 CO 0.01 0.10 0.54 0.00 -0.01 0.00 0.00 175.52 176.15 1bav h ALA 98 N 1.71 1.04 0.34 0.00 0.00 -1.27 -1.80 119.26 119.28 1bav h ALA 98 Ca 0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1bav h ALA 98 Cb 0.15 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1bav h ALA 98 CO -0.05 0.45 -0.16 0.82 0.00 0.00 0.00 179.25 180.31 1bav h ILE 99 N 1.11 0.68 0.00 0.00 2.04 -0.09 -2.93 117.51 118.33 1bav h ILE 99 Ca 0.30 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 66.04 1bav h ILE 99 Cb -0.12 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1bav h ILE 99 CO -0.06 0.02 0.00 0.18 0.00 0.00 0.00 178.15 178.29 1bav n LEU 100 N -5.26 0.47 0.00 1.44 4.77 -0.78 -0.94 117.00 116.70 1bav n LEU 100 Ca -0.10 0.59 0.13 0.00 -0.03 0.00 0.00 56.01 56.61 1bav n LEU 100 Cb 0.22 -0.51 0.62 0.00 -2.33 0.00 0.00 43.42 41.42 1bav n LEU 100 CO 0.35 -0.37 0.95 0.47 -1.33 0.00 0.00 177.39 177.46 1bav n ASP 101 N -1.99 0.00 0.00 -1.43 8.00 -0.69 -3.88 116.55 116.56 1bav n ASP 101 Ca 0.03 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.87 1bav n ASP 101 Cb 0.26 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 1bav n ASP 101 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1bav n SER 102 N -1.44 0.09 -3.79 -2.24 7.64 -0.96 -4.99 113.62 107.93 1bav n SER 102 Ca 0.08 -0.41 -0.13 0.00 1.01 0.00 0.00 58.87 59.43 1bav n SER 102 Cb 0.30 0.21 -0.09 0.00 -1.01 0.00 0.00 64.21 63.62 1bav n SER 102 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1bav s MET 103 N -0.21 0.61 0.32 1.43 -1.94 -0.11 -4.46 119.30 114.93 1bav s MET 103 Ca 0.00 -0.23 0.02 0.00 -1.71 0.00 0.00 55.69 53.78 1bav s MET 103 Cb 0.00 0.27 -0.03 0.00 2.01 0.00 0.00 34.83 37.08 1bav s MET 103 CO 0.00 -0.16 0.49 -0.51 -0.01 0.00 0.00 175.02 174.83 1bav s ASP 104 N -1.29 6.24 -0.08 3.03 1.01 -1.04 -4.02 116.67 120.51 1bav s ASP 104 Ca -0.13 0.26 0.01 0.00 0.71 0.00 0.00 52.55 53.40 1bav s ASP 104 Cb -0.06 -1.87 0.02 0.00 1.01 0.00 0.00 42.92 42.02 1bav s ASP 104 CO 0.03 -0.27 -0.10 -0.63 0.21 0.00 0.00 175.17 174.41 1bav s ILE 105 N -2.21 1.10 -0.26 0.77 1.01 -0.53 -1.09 121.20 119.98 1bav s ILE 105 Ca 0.39 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.60 1bav s ILE 105 Cb -0.09 -1.04 0.02 0.00 0.01 0.00 0.00 42.46 41.35 1bav s ILE 105 CO 0.33 0.36 -0.02 -0.36 0.00 0.00 0.00 174.94 175.25 1bav s PHE 106 N 1.06 3.07 -0.24 3.97 0.40 0.04 -0.28 117.98 126.01 1bav s PHE 106 Ca -0.07 -1.30 0.00 0.00 -0.60 0.00 0.00 56.93 54.96 1bav s PHE 106 Cb -0.15 -2.12 0.04 0.00 0.51 0.00 0.00 43.02 41.30 1bav s PHE 106 CO -0.01 -0.66 -0.10 -1.17 0.70 0.00 0.00 175.22 173.98 1bav s LEU 107 N 1.40 3.10 -0.49 -0.37 2.96 0.51 -1.04 118.68 124.75 1bav s LEU 107 Ca 0.02 -1.01 -0.15 0.00 -0.22 0.00 0.00 54.13 52.77 1bav s LEU 107 Cb -0.16 -1.60 0.09 0.00 0.50 0.00 0.00 46.19 45.02 1bav s LEU 107 CO -0.02 -0.13 0.41 -0.70 -1.32 0.00 0.00 176.35 174.59 1bav s GLU 108 N 1.25 2.92 0.13 1.98 2.12 -0.22 -1.06 118.70 125.82 1bav s GLU 108 Ca -0.02 -1.50 -0.10 0.00 0.36 0.00 0.00 54.97 53.72 1bav s GLU 108 Cb -0.17 -4.14 -0.06 0.00 0.26 0.00 0.00 34.13 30.02 1bav s GLU 108 CO -0.06 -1.12 1.40 0.82 -0.54 0.00 0.00 175.26 175.75 1bav h ILE 109 N 5.85 1.29 -3.06 -3.70 2.04 -1.81 -1.34 117.51 116.78 1bav h ILE 109 Ca -0.28 -1.82 -0.62 0.00 1.00 0.00 0.00 64.86 63.14 1bav h ILE 109 Cb 1.10 1.76 -0.40 0.00 -0.74 0.00 0.00 36.82 38.54 1bav h ILE 109 CO 0.92 0.58 -0.70 -0.69 0.00 0.00 0.00 178.15 178.26 1bav s VAL 110 N -3.99 1.92 0.33 1.67 1.01 -1.25 -4.31 120.40 115.78 1bav s VAL 110 Ca -0.10 -3.10 0.17 0.00 0.00 0.00 0.00 61.98 58.95 1bav s VAL 110 Cb 0.10 -2.32 0.14 0.00 0.00 0.00 0.00 36.38 34.30 1bav s VAL 110 CO 0.88 -0.92 1.85 0.74 0.00 0.00 0.00 175.10 177.65 1bav h THR 111 N 5.10 1.05 -2.88 3.92 2.02 -1.49 -3.35 112.91 117.28 1bav h THR 111 Ca 0.02 -1.21 -0.61 0.00 0.77 0.00 0.00 66.41 65.38 1bav h THR 111 Cb 0.88 1.69 -0.41 0.00 -1.74 0.00 0.00 68.15 68.57 1bav h THR 111 CO 0.57 0.32 -0.69 0.21 0.37 0.00 0.00 175.52 176.30 1bav s ASN 112 N -6.68 3.81 0.32 4.18 3.04 -1.02 -4.89 114.94 113.71 1bav s ASN 112 Ca -0.02 -3.57 0.06 0.00 0.04 0.00 0.00 52.86 49.37 1bav s ASN 112 Cb 0.13 -1.27 0.56 0.00 -1.54 0.00 0.00 41.25 39.13 1bav s ASN 112 CO 0.69 -0.12 1.80 -0.65 -3.04 0.00 0.00 177.10 175.78 1bav h PRO 113 N 5.54 0.35 -0.01 0.43 0.11 -1.89 -1.31 132.00 135.23 1bav h PRO 113 Ca 0.17 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 1bav h PRO 113 Cb 0.81 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 1bav h PRO 113 CO 0.61 0.56 -0.01 -0.91 -0.21 0.00 0.00 178.00 178.05 1bav h ASN 114 N 0.32 0.02 -0.63 -2.05 -0.26 -1.95 -0.10 115.58 110.93 1bav h ASN 114 Ca 0.05 -0.47 -0.04 0.00 -0.56 0.00 0.00 56.30 55.29 1bav h ASN 114 Cb 0.57 -0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.80 1bav h ASN 114 CO 0.04 0.48 0.25 1.23 -1.06 0.00 0.00 177.43 178.38 1bav h GLY 115 N -0.45 1.04 0.95 2.83 0.00 -1.76 -0.51 103.07 105.17 1bav h GLY 115 Ca 0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 1bav h GLY 115 CO 0.00 0.51 0.08 -2.75 0.00 0.00 0.00 176.54 174.38 1bav h PHE 116 N 0.95 0.76 -0.44 5.60 3.57 -1.13 -0.40 116.94 125.85 1bav h PHE 116 Ca 0.22 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1bav h PHE 116 Cb 0.19 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1bav h PHE 116 CO 0.01 0.73 0.14 0.00 -2.23 0.00 0.00 178.31 176.96 1bav h ALA 117 N 0.94 1.42 -0.18 2.41 0.00 -0.63 -2.42 119.26 120.80 1bav h ALA 117 Ca 0.13 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1bav h ALA 117 Cb 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1bav h ALA 117 CO 0.01 0.43 -0.49 0.35 0.00 0.00 0.00 179.25 179.55 1bav h PHE 118 N 0.64 0.59 0.00 0.00 3.57 -0.65 -1.92 116.94 119.17 1bav h PHE 118 Ca 0.15 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1bav h PHE 118 Cb 0.19 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.81 1bav h PHE 118 CO 0.01 0.88 0.00 1.79 -2.23 0.00 0.00 178.31 178.76 1bav h THR 119 N 0.38 0.00 0.18 4.41 1.35 -0.60 0.39 112.91 119.02 1bav h THR 119 Ca 0.02 -0.50 -0.33 0.00 -0.55 0.00 0.00 66.41 65.05 1bav h THR 119 Cb 1.00 1.47 0.01 0.00 -1.73 0.00 0.00 68.15 68.90 1bav h THR 119 CO 0.09 0.00 -1.62 0.45 -0.25 0.00 0.00 175.52 174.19 1bav h HIS 120 N 0.00 0.69 0.00 4.73 3.86 -1.14 -3.15 115.15 120.14 1bav h HIS 120 Ca 0.00 -0.50 -0.18 0.00 -1.16 0.00 0.00 60.37 58.53 1bav h HIS 120 Cb 0.51 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.93 1bav h HIS 120 CO 0.00 1.63 -1.13 -1.13 0.86 0.00 0.00 177.93 178.16 1bav n SER 121 N -3.70 1.85 -0.10 2.45 3.41 -0.76 -4.86 113.62 111.91 1bav n SER 121 Ca -0.24 0.47 -0.14 0.00 -0.26 0.00 0.00 58.87 58.70 1bav n SER 121 Cb 1.03 -0.93 -0.09 0.00 -0.26 0.00 0.00 64.21 63.97 1bav n SER 121 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1bav n GLU 122 N -4.47 0.48 -3.31 4.33 -0.58 -0.22 -5.00 120.64 111.86 1bav n GLU 122 Ca -0.26 0.12 -0.08 0.00 -0.42 0.00 0.00 57.16 56.51 1bav n GLU 122 Cb 0.58 -1.37 -0.07 0.00 -0.57 0.00 0.00 31.44 30.01 1bav n GLU 122 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1bav s ASN 123 N -5.98 0.21 0.34 1.62 3.84 -0.04 -5.02 114.94 109.91 1bav s ASN 123 Ca -0.26 -0.04 0.08 0.00 0.21 0.00 0.00 52.86 52.84 1bav s ASN 123 Cb 0.07 1.18 0.77 0.00 -0.55 0.00 0.00 41.25 42.72 1bav s ASN 123 CO 0.44 -0.32 1.86 -0.09 -2.79 0.00 0.00 177.10 176.20 1bav h ARG 124 N 8.16 0.72 -0.22 0.43 9.65 -1.77 -2.45 114.38 128.89 1bav h ARG 124 Ca -0.14 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.69 1bav h ARG 124 Cb 1.14 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.56 1bav h ARG 124 CO 0.27 0.48 0.00 1.28 2.80 0.00 0.00 179.97 184.79 1bav n LEU 125 N -4.58 1.40 -4.69 3.80 4.77 -1.26 -4.51 117.00 111.93 1bav n LEU 125 Ca 0.18 -0.66 -0.42 0.00 -0.03 0.00 0.00 56.01 55.08 1bav n LEU 125 Cb 0.46 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1bav n LEU 125 CO 0.29 0.33 1.43 0.86 -1.33 0.00 0.00 177.39 178.97 1bav s TRP 126 N -1.71 2.19 -0.35 -1.77 -0.11 -0.93 -4.80 118.94 111.46 1bav s TRP 126 Ca 0.23 0.07 0.13 0.00 1.22 0.00 0.00 56.10 57.75 1bav s TRP 126 Cb 0.12 -4.11 -0.17 0.00 -1.50 0.00 0.00 33.47 27.81 1bav s TRP 126 CO 0.17 -4.58 0.44 2.89 -4.62 0.00 0.00 176.95 171.24 1bav n ARG 127 N 5.74 1.70 -2.74 5.86 1.85 -1.26 -2.37 116.66 125.44 1bav n ARG 127 Ca 0.17 -0.05 -0.18 0.00 -1.00 0.00 0.00 57.85 56.79 1bav n ARG 127 Cb 0.39 -1.20 0.06 0.00 -1.05 0.00 0.00 32.46 30.66 1bav n ARG 127 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1bav n LYS 128 N -1.59 0.59 0.00 2.89 5.02 -1.26 -4.11 118.16 119.69 1bav n LYS 128 Ca 0.00 -2.78 0.00 0.00 -2.02 0.00 0.00 58.31 53.51 1bav n LYS 128 Cb 0.27 -0.25 0.00 0.00 -0.02 0.00 0.00 35.03 35.03 1bav n LYS 128 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1bav n THR 129 N -2.18 0.00 -1.94 -0.18 -2.24 -0.86 -4.38 114.28 102.50 1bav n THR 129 Ca 0.15 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.98 1bav n THR 129 Cb 0.54 -1.75 0.12 0.00 -2.10 0.00 0.00 70.33 67.13 1bav n THR 129 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1bav n ARG 130 N -0.52 0.84 -2.49 -0.78 5.12 -1.26 -4.17 116.66 113.40 1bav n ARG 130 Ca 0.00 -2.58 -0.35 0.00 -1.93 0.00 0.00 57.85 52.99 1bav n ARG 130 Cb 0.00 -0.90 -0.03 0.00 -1.16 0.00 0.00 32.46 30.37 1bav n ARG 130 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1bav s SER 131 N -2.58 6.32 0.00 0.55 1.04 -1.26 -4.67 113.70 113.11 1bav s SER 131 Ca 0.33 2.00 0.00 0.00 0.48 0.00 0.00 55.95 58.77 1bav s SER 131 Cb 0.35 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.90 1bav s SER 131 CO -0.10 -0.80 0.00 1.33 0.98 0.00 0.00 173.24 174.65 1bav n VAL 132 N -0.83 0.00 -0.29 5.02 0.24 -1.26 -0.77 118.33 120.44 1bav n VAL 132 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 1bav n VAL 132 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 1bav n VAL 132 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1bav n THR 133 N 0.00 -1.40 0.00 3.34 -1.04 -1.26 -5.04 114.28 108.88 1bav n THR 133 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1bav n THR 133 Cb 0.00 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 1bav n THR 133 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1bav n SER 134 N -0.13 0.00 -4.39 8.00 2.88 -1.26 -4.91 113.62 113.80 1bav n SER 134 Ca 0.00 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 57.09 1bav n SER 134 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1bav n SER 134 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1bav s SER 135 N -4.00 7.03 0.00 -3.46 0.01 -1.26 -4.87 113.70 107.15 1bav s SER 135 Ca 0.00 -3.00 0.00 0.00 1.31 0.00 0.00 55.95 54.26 1bav s SER 135 Cb 0.00 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1bav s SER 135 CO 0.00 -0.61 0.00 -0.24 0.41 0.00 0.00 173.24 172.80 1bav n SER 136 N 4.47 0.00 0.01 2.44 2.88 -1.26 -5.03 113.62 117.13 1bav n SER 136 Ca 0.26 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.92 1bav n SER 136 Cb 0.43 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.04 1bav n SER 136 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bav n LEU 137 N 0.00 0.61 -4.73 2.46 -0.00 -1.26 -4.77 117.00 109.31 1bav n LEU 137 Ca 0.00 -0.03 -0.42 0.00 -0.00 0.00 0.00 56.01 55.56 1bav n LEU 137 Cb 0.00 -0.18 -0.03 0.00 -0.00 0.00 0.00 43.42 43.21 1bav n LEU 137 CO 0.00 0.10 0.94 0.00 -0.00 0.00 0.00 177.39 178.43 1bav s VAL 139 N 0.43 4.39 0.00 0.00 0.11 -1.26 -4.90 120.40 119.17 1bav s VAL 139 Ca 0.57 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 58.71 1bav s VAL 139 Cb -0.34 -3.14 0.00 0.00 -1.53 0.00 0.00 36.38 31.37 1bav s VAL 139 CO 0.34 0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.78 1bav n GLY 140 N 0.27 -1.33 3.10 6.54 0.00 0.05 -4.92 105.19 108.89 1bav n GLY 140 Ca -0.09 -1.57 -0.16 0.00 0.00 0.00 0.00 46.02 44.20 1bav n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bav s VAL 141 N -2.99 0.78 -0.59 1.61 1.01 -1.26 -4.87 120.40 114.09 1bav s VAL 141 Ca 0.00 -1.05 -0.27 0.00 0.00 0.00 0.00 61.98 60.65 1bav s VAL 141 Cb 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 36.38 35.64 1bav s VAL 141 CO 0.00 -0.23 1.15 -0.62 0.00 0.00 0.00 175.10 175.40 1bav s ASP 142 N -1.43 6.40 0.54 3.32 -1.08 0.55 -2.02 116.67 122.95 1bav s ASP 142 Ca -0.05 -0.04 0.24 0.00 -0.52 0.00 0.00 52.55 52.18 1bav s ASP 142 Cb -0.09 -2.53 1.43 0.00 -1.46 0.00 0.00 42.92 40.27 1bav s ASP 142 CO 0.01 -1.46 2.06 0.00 0.52 0.00 0.00 175.17 176.30 1bav h ALA 143 N 9.54 2.18 -0.64 3.66 0.00 -1.85 -0.27 119.26 131.88 1bav h ALA 143 Ca -0.25 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.32 1bav h ALA 143 Cb 1.06 0.02 -0.20 0.00 0.00 0.00 0.00 17.79 18.68 1bav h ALA 143 CO 1.18 -0.39 0.42 -1.71 0.00 0.00 0.00 179.25 178.74 1bav n ASN 144 N -4.26 3.49 0.00 0.00 5.15 -1.26 -3.12 115.26 115.26 1bav n ASN 144 Ca 0.04 -3.02 0.00 0.00 -0.60 0.00 0.00 54.58 51.00 1bav n ASN 144 Cb 0.40 -0.72 0.00 0.00 -0.53 0.00 0.00 39.78 38.93 1bav n ASN 144 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1bav n ARG 145 N -0.54 -0.01 0.00 1.20 5.12 -0.12 -3.47 116.66 118.82 1bav n ARG 145 Ca 0.38 -0.07 0.12 0.00 -1.93 0.00 0.00 57.85 56.35 1bav n ARG 145 Cb 1.25 -0.51 0.06 0.00 -1.16 0.00 0.00 32.46 32.10 1bav n ARG 145 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1bav n ASN 146 N -0.00 2.27 -4.81 0.55 4.05 -1.11 -4.18 115.26 112.03 1bav n ASN 146 Ca 0.00 -1.64 -0.34 0.00 0.45 0.00 0.00 54.58 53.06 1bav n ASN 146 Cb 0.27 0.30 -0.07 0.00 1.23 0.00 0.00 39.78 41.52 1bav n ASN 146 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 1bav s TRP 147 N -2.32 3.31 -1.18 1.20 0.52 0.13 -0.49 118.94 120.12 1bav s TRP 147 Ca 0.22 1.62 -0.21 0.00 0.02 0.00 0.00 56.10 57.76 1bav s TRP 147 Cb 0.19 -2.89 -0.05 0.00 -1.15 0.00 0.00 33.47 29.57 1bav s TRP 147 CO 0.48 -0.17 1.90 -3.47 0.02 0.00 0.00 176.95 175.71 1bav n ASP 148 N -0.55 3.55 -3.09 2.95 -0.08 -1.26 -4.21 116.55 113.86 1bav n ASP 148 Ca 0.07 -2.76 -0.06 0.00 -1.51 0.00 0.00 54.79 50.52 1bav n ASP 148 Cb 0.53 -1.65 -0.02 0.00 2.34 0.00 0.00 41.12 42.33 1bav n ASP 148 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bav s ALA 149 N 7.85 -1.67 -1.19 -1.67 0.00 -1.26 -4.61 121.76 119.21 1bav s ALA 149 Ca 0.62 -0.42 -0.06 0.00 0.00 0.00 0.00 51.96 52.10 1bav s ALA 149 Cb 0.04 -2.53 0.01 0.00 0.00 0.00 0.00 23.12 20.63 1bav s ALA 149 CO 0.10 -2.20 0.77 0.41 0.00 0.00 0.00 175.76 174.84 1bav n GLY 150 N 3.72 -0.29 3.68 0.00 0.00 -1.26 -1.24 105.19 109.80 1bav n GLY 150 Ca 0.15 0.04 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 1bav n GLY 150 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1bav n PHE 151 N -4.45 2.28 -0.19 1.61 7.35 -1.26 -2.27 117.46 120.54 1bav n PHE 151 Ca -0.04 0.36 0.00 0.00 -0.76 0.00 0.00 57.45 57.01 1bav n PHE 151 Cb 0.57 -2.50 0.00 0.00 0.35 0.00 0.00 39.48 37.90 1bav n PHE 151 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1bav n GLY 152 N 2.54 2.38 3.88 7.13 0.00 -1.26 -4.97 105.19 114.88 1bav n GLY 152 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1bav n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bav s LYS 153 N -0.02 1.07 0.12 1.61 1.02 -0.96 -4.91 119.74 117.68 1bav s LYS 153 Ca 0.00 -0.10 -0.34 0.00 0.02 0.00 0.00 55.97 55.56 1bav s LYS 153 Cb 0.00 -1.87 -0.17 0.00 -0.52 0.00 0.00 37.83 35.27 1bav s LYS 153 CO 0.00 -2.17 0.97 0.00 -0.92 0.00 0.00 175.35 173.23 1bav n ALA 154 N -3.67 -2.22 0.00 5.17 0.00 -1.26 -3.42 120.51 115.11 1bav n ALA 154 Ca 0.11 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1bav n ALA 154 Cb 0.60 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1bav n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bav n GLY 155 N 1.85 1.93 3.57 0.00 0.00 -1.26 -3.74 105.19 107.54 1bav n GLY 155 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 1bav n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bav s ALA 156 N -2.00 -1.97 0.08 4.61 0.00 -1.22 -0.74 121.76 120.51 1bav s ALA 156 Ca 0.00 1.43 0.03 0.00 0.00 0.00 0.00 51.96 53.42 1bav s ALA 156 Cb 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 1bav s ALA 156 CO 0.00 -0.55 0.10 0.45 0.00 0.00 0.00 175.76 175.76 1bav s SER 157 N -2.00 5.66 0.00 0.00 0.15 -0.28 -4.91 113.70 112.32 1bav s SER 157 Ca 0.06 0.03 0.24 0.00 0.70 0.00 0.00 55.95 56.98 1bav s SER 157 Cb -0.01 -1.56 0.31 0.00 -1.71 0.00 0.00 66.02 63.05 1bav s SER 157 CO -0.05 0.17 1.28 -1.54 1.20 0.00 0.00 173.24 174.29 1bav n SER 158 N 0.41 1.06 -4.67 5.45 3.41 -1.26 -1.39 113.62 116.64 1bav n SER 158 Ca -0.08 -0.85 -0.38 0.00 -0.26 0.00 0.00 58.87 57.30 1bav n SER 158 Cb 0.52 0.43 -0.07 0.00 -0.26 0.00 0.00 64.21 64.83 1bav n SER 158 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1bav s SER 159 N -2.76 6.46 0.40 4.04 0.15 -1.26 -4.96 113.70 115.76 1bav s SER 159 Ca 0.16 0.54 0.24 0.00 0.70 0.00 0.00 55.95 57.59 1bav s SER 159 Cb 0.18 -2.24 1.33 0.00 -1.71 0.00 0.00 66.02 63.57 1bav s SER 159 CO 0.66 -0.10 1.73 -0.65 1.20 0.00 0.00 173.24 176.09 1bav h PRO 160 N 7.41 0.00 0.00 5.44 0.11 -1.93 -0.85 132.00 142.18 1bav h PRO 160 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1bav h PRO 160 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1bav h PRO 160 CO 0.72 0.00 -0.83 0.00 -0.21 0.00 0.00 178.00 177.68 1bav s SER 162 N -3.58 7.13 0.59 0.00 0.15 -0.32 -4.93 113.70 112.74 1bav s SER 162 Ca 0.07 2.18 0.36 0.00 0.70 0.00 0.00 55.95 59.26 1bav s SER 162 Cb 0.15 -2.61 1.86 0.00 -1.71 0.00 0.00 66.02 63.71 1bav s SER 162 CO 0.77 -0.24 2.18 -0.33 1.20 0.00 0.00 173.24 176.83 1bav h GLU 163 N 3.43 0.00 -0.41 5.44 4.39 -1.92 -1.90 114.58 123.60 1bav h GLU 163 Ca -0.47 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.14 1bav h GLU 163 Cb 1.21 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.81 1bav h GLU 163 CO 0.65 0.03 0.05 0.25 -1.16 0.00 0.00 179.01 178.84 1bav n THR 164 N -3.27 2.53 -1.68 1.13 -2.24 -1.26 -4.48 114.28 105.01 1bav n THR 164 Ca -0.02 -1.95 -0.45 0.00 -2.27 0.00 0.00 64.05 59.36 1bav n THR 164 Cb 0.18 -0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 68.08 1bav n THR 164 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bav n TYR 165 N -0.47 2.47 1.17 4.78 9.36 -0.72 -1.12 117.16 132.64 1bav n TYR 165 Ca 0.29 -0.06 0.14 0.00 3.32 0.00 0.00 57.90 61.58 1bav n TYR 165 Cb 1.06 -2.69 0.66 0.00 -0.63 0.00 0.00 39.34 37.74 1bav n TYR 165 CO 0.00 0.00 0.00 -2.39 0.22 0.00 0.00 176.86 174.69 1bav n HIS 166 N 5.74 0.00 0.00 2.98 1.44 -0.48 -0.33 115.22 124.56 1bav n HIS 166 Ca 0.19 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.90 1bav n HIS 166 Cb 0.34 -0.38 0.00 0.00 0.12 0.00 0.00 29.99 30.07 1bav n HIS 166 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1bav n GLY 167 N 1.22 0.68 0.20 -1.39 0.00 -1.26 -4.11 105.19 100.52 1bav n GLY 167 Ca 0.11 -1.94 -0.01 0.00 0.00 0.00 0.00 46.02 44.17 1bav n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bav h LYS 168 N 0.00 0.21 -2.10 1.61 1.57 -1.97 -3.46 116.57 112.44 1bav h LYS 168 Ca 0.00 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1bav h LYS 168 Cb 0.00 -0.01 -0.18 0.00 0.08 0.00 0.00 32.23 32.12 1bav h LYS 168 CO 0.00 0.56 0.35 1.52 -0.57 0.00 0.00 179.45 181.32 1bav s TYR 169 N -4.21 -0.50 0.23 -1.35 -0.85 -1.26 -5.09 117.35 104.33 1bav s TYR 169 Ca -0.04 0.68 -0.31 0.00 -0.52 0.00 0.00 57.07 56.87 1bav s TYR 169 Cb 0.14 0.47 -0.14 0.00 0.38 0.00 0.00 41.96 42.81 1bav s TYR 169 CO 0.76 -0.56 1.34 0.00 -1.52 0.00 0.00 175.55 175.57 1bav n ALA 170 N 0.42 0.67 -1.11 9.51 0.00 -1.26 -1.52 120.51 127.21 1bav n ALA 170 Ca -0.14 0.42 -0.04 0.00 0.00 0.00 0.00 53.44 53.68 1bav n ALA 170 Cb 0.60 -2.21 -0.02 0.00 0.00 0.00 0.00 19.45 17.82 1bav n ALA 170 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1bav n ASN 171 N 2.06 -3.97 0.17 0.00 5.03 0.36 -4.91 115.26 114.00 1bav n ASN 171 Ca 0.12 0.10 0.03 0.00 0.87 0.00 0.00 54.58 55.70 1bav n ASN 171 Cb 0.30 -1.81 0.42 0.00 -1.02 0.00 0.00 39.78 37.67 1bav n ASN 171 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1bav h SER 172 N 0.00 0.10 -3.20 6.41 4.64 -1.53 -3.41 113.55 116.55 1bav h SER 172 Ca -0.08 -0.02 -0.59 0.00 -0.47 0.00 0.00 61.79 60.63 1bav h SER 172 Cb 0.42 -0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 62.41 1bav h SER 172 CO 0.12 0.31 0.60 -1.61 -0.87 0.00 0.00 176.83 175.38 1bav s GLU 173 N -4.58 4.22 0.50 4.77 0.41 -1.26 -4.90 118.70 117.85 1bav s GLU 173 Ca -0.04 1.11 0.22 0.00 -0.41 0.00 0.00 54.97 55.85 1bav s GLU 173 Cb 0.15 -3.64 1.30 0.00 -1.78 0.00 0.00 34.13 30.16 1bav s GLU 173 CO 0.72 -0.56 1.99 -0.24 -0.49 0.00 0.00 175.26 176.68 1bav h VAL 174 N 5.43 0.77 -0.40 2.63 3.04 -1.92 -0.12 116.25 125.68 1bav h VAL 174 Ca -0.22 -0.04 -0.04 0.00 -1.01 0.00 0.00 66.70 65.40 1bav h VAL 174 Cb 1.08 0.66 -0.02 0.00 -2.01 0.00 0.00 31.29 31.00 1bav h VAL 174 CO 0.91 0.02 0.09 -0.33 -1.01 0.00 0.00 177.57 177.25 1bav h GLU 175 N 0.10 0.60 0.09 4.17 3.07 -1.91 0.24 114.58 120.94 1bav h GLU 175 Ca 0.26 -0.11 -0.14 0.00 -0.50 0.00 0.00 59.36 58.88 1bav h GLU 175 Cb 0.89 -0.10 0.01 0.00 -0.84 0.00 0.00 28.75 28.71 1bav h GLU 175 CO -0.03 0.56 -0.62 0.28 -1.40 0.00 0.00 179.01 177.80 1bav h VAL 176 N 0.58 1.54 -0.36 3.13 2.07 -1.43 -3.30 116.25 118.47 1bav h VAL 176 Ca 0.13 -2.45 0.01 0.00 0.82 0.00 0.00 66.70 65.21 1bav h VAL 176 Cb 0.24 3.18 -0.02 0.00 -1.52 0.00 0.00 31.29 33.17 1bav h VAL 176 CO -0.00 0.66 0.24 0.50 0.02 0.00 0.00 177.57 178.99 1bav h LYS 177 N -0.60 0.45 -0.71 1.57 1.63 -1.08 -0.76 116.57 117.06 1bav h LYS 177 Ca -0.12 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.64 1bav h LYS 177 Cb 1.43 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.92 1bav h LYS 177 CO 0.08 0.30 0.39 0.77 -3.45 0.00 0.00 179.45 177.54 1bav h SER 178 N 0.46 0.89 -0.22 4.20 0.02 -1.06 -0.53 113.55 117.32 1bav h SER 178 Ca 0.14 -0.10 -0.12 0.00 -0.84 0.00 0.00 61.79 60.87 1bav h SER 178 Cb -0.01 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 1bav h SER 178 CO -0.03 0.73 -0.33 0.40 -1.14 0.00 0.00 176.83 176.46 1bav h ILE 179 N 0.98 1.32 0.02 3.27 2.04 -1.40 -2.28 117.51 121.47 1bav h ILE 179 Ca 0.25 -1.54 0.03 0.00 1.00 0.00 0.00 64.86 64.60 1bav h ILE 179 Cb 0.04 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 1bav h ILE 179 CO -0.04 0.48 -0.25 0.58 0.00 0.00 0.00 178.15 178.91 1bav h VAL 180 N 0.29 0.43 -0.16 1.67 2.07 -0.84 -0.45 116.25 119.26 1bav h VAL 180 Ca 0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.59 1bav h VAL 180 Cb 0.92 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 1bav h VAL 180 CO 0.08 0.00 -0.17 0.44 0.02 0.00 0.00 177.57 177.94 1bav h ASP 181 N -0.41 -0.53 -0.83 0.57 3.32 -1.14 0.17 116.42 117.58 1bav h ASP 181 Ca 0.06 0.10 0.06 0.00 0.02 0.00 0.00 57.03 57.27 1bav h ASP 181 Cb 0.48 0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.23 1bav h ASP 181 CO -0.21 -0.22 0.55 0.15 -1.72 0.00 0.00 179.24 177.79 1bav h PHE 182 N -0.20 0.94 -0.01 4.55 3.57 -1.07 0.69 116.94 125.41 1bav h PHE 182 Ca 0.11 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.52 1bav h PHE 182 Cb 0.35 -0.31 0.01 0.00 2.79 0.00 0.00 35.95 38.79 1bav h PHE 182 CO -0.30 0.50 -0.44 0.28 -2.23 0.00 0.00 178.31 176.12 1bav h VAL 183 N 0.93 1.48 -0.59 1.41 2.07 -0.44 -2.47 116.25 118.64 1bav h VAL 183 Ca 0.36 -2.00 -0.03 0.00 0.82 0.00 0.00 66.70 65.84 1bav h VAL 183 Cb 0.21 2.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.60 1bav h VAL 183 CO -0.13 0.57 0.23 0.11 0.02 0.00 0.00 177.57 178.37 1bav h LYS 184 N -0.27 0.89 -0.21 1.57 1.57 -0.39 -2.40 116.57 117.33 1bav h LYS 184 Ca -0.05 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1bav h LYS 184 Cb 1.16 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 1bav h LYS 184 CO 0.09 0.76 0.12 -0.91 -0.57 0.00 0.00 179.45 178.94 1bav h ASN 185 N 0.82 0.25 0.28 0.86 2.35 -0.94 -3.17 115.58 116.04 1bav h ASN 185 Ca 0.20 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 1bav h ASN 185 Cb 0.21 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1bav h ASN 185 CO -0.02 0.23 -0.14 -0.74 -1.65 0.00 0.00 177.43 175.11 1bav h HIS 186 N 0.25 -0.37 -0.46 1.19 2.76 -1.36 -3.47 115.15 113.68 1bav h HIS 186 Ca 0.07 -0.01 -0.20 0.00 -2.20 0.00 0.00 60.37 58.04 1bav h HIS 186 Cb 0.03 0.13 -0.08 0.00 1.55 0.00 0.00 27.41 29.03 1bav h HIS 186 CO -0.05 -0.23 -0.18 0.41 -1.30 0.00 0.00 177.93 176.58 1bav n GLY 187 N -1.26 1.06 0.36 5.26 0.00 -0.91 -4.84 105.19 104.86 1bav n GLY 187 Ca -0.10 -0.27 0.01 0.00 0.00 0.00 0.00 46.02 45.66 1bav n GLY 187 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bav n ASN 188 N -0.33 0.33 -4.72 1.61 5.15 -1.26 -5.07 115.26 110.97 1bav n ASN 188 Ca -0.10 -1.97 -0.42 0.00 -0.60 0.00 0.00 54.58 51.49 1bav n ASN 188 Cb 0.41 -0.19 -0.03 0.00 -0.53 0.00 0.00 39.78 39.44 1bav n ASN 188 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1bav s PHE 189 N -0.37 3.42 -0.12 1.20 0.08 -1.26 -1.49 117.98 119.44 1bav s PHE 189 Ca 0.04 1.31 0.14 0.00 0.12 0.00 0.00 56.93 58.53 1bav s PHE 189 Cb 0.03 -3.44 -0.19 0.00 -0.57 0.00 0.00 43.02 38.85 1bav s PHE 189 CO 0.00 -1.34 0.10 1.63 -0.10 0.00 0.00 175.22 175.51 1bav n LYS 190 N 3.49 1.41 -4.32 0.44 4.76 -0.36 -4.77 118.16 118.81 1bav n LYS 190 Ca 0.08 -0.03 -0.18 0.00 -2.87 0.00 0.00 58.31 55.31 1bav n LYS 190 Cb 0.45 -1.38 -0.10 0.00 -1.84 0.00 0.00 35.03 32.17 1bav n LYS 190 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bav s ALA 191 N -2.48 1.88 -0.27 7.82 0.00 -1.17 -3.06 121.76 124.47 1bav s ALA 191 Ca -0.07 -1.60 -0.01 0.00 0.00 0.00 0.00 51.96 50.29 1bav s ALA 191 Cb 0.05 -0.07 0.15 0.00 0.00 0.00 0.00 23.12 23.26 1bav s ALA 191 CO 0.61 0.05 0.44 0.12 0.00 0.00 0.00 175.76 176.98 1bav s PHE 192 N -2.92 -1.08 -0.09 0.00 5.36 -0.21 -2.52 117.98 116.51 1bav s PHE 192 Ca 0.20 0.92 -0.01 0.00 -0.96 0.00 0.00 56.93 57.08 1bav s PHE 192 Cb -0.01 0.11 -0.03 0.00 -0.34 0.00 0.00 43.02 42.75 1bav s PHE 192 CO 0.05 -0.83 -0.04 -0.51 -1.46 0.00 0.00 175.22 172.43 1bav s LEU 193 N 2.63 3.30 -0.23 6.12 1.02 0.12 -1.70 118.68 129.94 1bav s LEU 193 Ca 0.14 0.01 0.01 0.00 0.02 0.00 0.00 54.13 54.31 1bav s LEU 193 Cb -0.14 -1.74 0.04 0.00 0.02 0.00 0.00 46.19 44.36 1bav s LEU 193 CO -0.21 0.33 -0.13 -0.44 0.02 0.00 0.00 176.35 175.92 1bav s SER 194 N -0.61 3.93 -0.26 2.29 0.01 -0.29 -1.33 113.70 117.45 1bav s SER 194 Ca 0.09 -1.02 -0.07 0.00 1.31 0.00 0.00 55.95 56.27 1bav s SER 194 Cb -0.12 -1.55 -0.02 0.00 0.21 0.00 0.00 66.02 64.55 1bav s SER 194 CO 0.02 -0.11 0.05 -0.63 0.41 0.00 0.00 173.24 172.98 1bav s ILE 195 N 1.21 4.06 0.34 1.44 -1.09 0.14 -0.59 121.20 126.71 1bav s ILE 195 Ca -0.02 -0.35 0.03 0.00 -2.23 0.00 0.00 60.65 58.08 1bav s ILE 195 Cb -0.17 -2.94 -0.04 0.00 -1.58 0.00 0.00 42.46 37.73 1bav s ILE 195 CO -0.08 0.29 0.10 -1.00 -1.23 0.00 0.00 174.94 173.02 1bav s HIS 196 N 1.56 1.80 0.06 3.97 3.76 0.34 -3.59 115.29 123.19 1bav s HIS 196 Ca 0.05 -1.15 -0.04 0.00 -0.15 0.00 0.00 55.06 53.78 1bav s HIS 196 Cb -0.15 -1.14 -0.02 0.00 1.11 0.00 0.00 32.58 32.37 1bav s HIS 196 CO 0.02 -0.21 0.05 -1.54 -0.85 0.00 0.00 174.74 172.21 1bav s SER 197 N -3.49 0.34 0.29 1.40 1.04 -1.26 0.56 113.70 112.57 1bav s SER 197 Ca 0.32 -0.83 0.01 0.00 0.48 0.00 0.00 55.95 55.94 1bav s SER 197 Cb 0.06 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 1bav s SER 197 CO 0.15 -0.61 0.05 0.00 0.98 0.00 0.00 173.24 173.81 1bav n TYR 198 N 0.20 0.39 0.00 5.02 0.18 -1.26 -4.83 117.16 116.85 1bav n TYR 198 Ca -0.15 -1.66 0.00 0.00 1.88 0.00 0.00 57.90 57.97 1bav n TYR 198 Cb 0.61 -0.10 0.00 0.00 -0.38 0.00 0.00 39.34 39.47 1bav n TYR 198 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1bav n SER 199 N -1.48 0.00 -2.91 9.48 3.41 0.43 -4.78 113.62 117.77 1bav n SER 199 Ca -0.08 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.51 1bav n SER 199 Cb 0.40 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.36 1bav n SER 199 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bav n GLN 200 N 0.00 -1.30 -4.16 4.33 6.02 -0.50 -4.73 117.38 117.03 1bav n GLN 200 Ca 0.00 1.29 -0.11 0.00 -0.01 0.00 0.00 57.00 58.17 1bav n GLN 200 Cb 0.00 -5.29 -0.10 0.00 1.02 0.00 0.00 30.24 25.86 1bav n GLN 200 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1bav s LEU 201 N -3.99 2.48 -0.30 1.08 1.43 -0.43 -1.84 118.68 117.11 1bav s LEU 201 Ca 0.07 -0.95 -0.02 0.00 -1.03 0.00 0.00 54.13 52.19 1bav s LEU 201 Cb -0.01 -0.10 0.10 0.00 0.03 0.00 0.00 46.19 46.21 1bav s LEU 201 CO 0.66 -0.43 0.11 -0.22 0.23 0.00 0.00 176.35 176.70 1bav s LEU 202 N -2.88 1.60 -0.04 1.79 0.20 0.33 -1.10 118.68 118.58 1bav s LEU 202 Ca 0.10 -1.47 -0.08 0.00 0.69 0.00 0.00 54.13 53.36 1bav s LEU 202 Cb 0.03 -0.67 -0.05 0.00 -0.43 0.00 0.00 46.19 45.08 1bav s LEU 202 CO -0.04 -0.42 0.24 -0.76 -0.29 0.00 0.00 176.35 175.08 1bav s LEU 203 N 1.80 4.40 0.35 -0.68 1.02 0.93 -2.64 118.68 123.85 1bav s LEU 203 Ca 0.09 0.58 0.08 0.00 0.02 0.00 0.00 54.13 54.90 1bav s LEU 203 Cb -0.17 -2.42 -0.07 0.00 0.02 0.00 0.00 46.19 43.56 1bav s LEU 203 CO -0.28 0.33 -0.04 -0.72 0.02 0.00 0.00 176.35 175.66 1bav s TYR 204 N -1.16 2.31 0.75 0.29 -0.85 -0.36 -0.42 117.35 117.91 1bav s TYR 204 Ca 0.22 -0.64 -0.15 0.00 -0.52 0.00 0.00 57.07 55.98 1bav s TYR 204 Cb -0.13 -1.45 0.05 0.00 0.38 0.00 0.00 41.96 40.81 1bav s TYR 204 CO 0.11 0.42 1.21 -2.14 -1.52 0.00 0.00 175.55 173.63 1bav s PRO 205 N -3.69 2.01 0.45 -3.49 0.02 -1.26 -0.09 135.00 128.94 1bav s PRO 205 Ca 0.33 1.77 0.05 0.00 0.02 0.00 0.00 61.00 63.17 1bav s PRO 205 Cb 0.06 -1.82 -0.05 0.00 0.02 0.00 0.00 34.50 32.71 1bav s PRO 205 CO 0.16 -1.93 0.06 0.71 -0.33 0.00 0.00 177.00 175.67 1bav s TYR 206 N -2.01 2.27 0.00 6.54 2.02 -1.26 -4.55 117.35 120.36 1bav s TYR 206 Ca 0.74 -0.76 0.00 0.00 -0.37 0.00 0.00 57.07 56.69 1bav s TYR 206 Cb -0.29 -1.77 0.00 0.00 -0.40 0.00 0.00 41.96 39.50 1bav s TYR 206 CO 0.47 0.28 0.00 0.41 -1.57 0.00 0.00 175.55 175.14 1bav n GLY 207 N -1.16 0.00 0.09 0.71 0.00 -1.26 -0.80 105.19 102.77 1bav n GLY 207 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 1bav n GLY 207 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1bav h TYR 208 N 0.00 0.00 -4.10 1.61 -0.00 -1.72 -2.18 116.97 110.59 1bav h TYR 208 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 58.73 58.23 1bav h TYR 208 Cb 0.97 0.00 -0.25 0.00 -0.00 0.00 0.00 36.73 37.45 1bav h TYR 208 CO 0.00 0.83 -0.81 -0.08 -0.00 0.00 0.00 178.16 178.10 1bav s THR 209 N -3.02 1.35 -0.74 -0.90 -1.32 -1.26 -4.92 115.64 104.83 1bav s THR 209 Ca 0.01 -1.07 0.22 0.00 -1.21 0.00 0.00 61.69 59.64 1bav s THR 209 Cb 0.11 -1.19 0.22 0.00 -1.51 0.00 0.00 72.50 70.12 1bav s THR 209 CO 0.79 0.10 1.69 0.35 -2.21 0.00 0.00 174.62 175.34 1bav n THR 210 N 1.90 0.72 -1.61 5.08 -2.24 -1.26 -4.55 114.28 112.31 1bav n THR 210 Ca -0.18 0.10 -0.46 0.00 -2.27 0.00 0.00 64.05 61.25 1bav n THR 210 Cb 0.54 -0.92 -0.02 0.00 -2.10 0.00 0.00 70.33 67.83 1bav n THR 210 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1bav n GLN 211 N -1.95 1.52 -2.84 -0.78 7.27 -1.26 -4.95 117.38 114.40 1bav n GLN 211 Ca 0.04 0.54 -0.41 0.00 0.07 0.00 0.00 57.00 57.23 1bav n GLN 211 Cb 0.27 -2.03 -0.04 0.00 2.41 0.00 0.00 30.24 30.85 1bav n GLN 211 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 1bav s SER 212 N -0.18 7.15 0.50 1.69 0.01 -1.26 -4.55 113.70 117.07 1bav s SER 212 Ca 0.65 1.40 -0.22 0.00 1.31 0.00 0.00 55.95 59.09 1bav s SER 212 Cb -0.72 -2.50 -0.06 0.00 0.21 0.00 0.00 66.02 62.95 1bav s SER 212 CO 0.56 -0.27 1.22 0.27 0.41 0.00 0.00 173.24 175.42 1bav s ILE 213 N 1.33 2.77 0.58 1.44 -4.36 -1.26 -4.89 121.20 116.81 1bav s ILE 213 Ca 0.44 0.56 0.29 0.00 -0.26 0.00 0.00 60.65 61.69 1bav s ILE 213 Cb -0.19 -3.27 0.41 0.00 1.25 0.00 0.00 42.46 40.66 1bav s ILE 213 CO 0.20 -0.03 1.86 -0.65 0.24 0.00 0.00 174.94 176.57 1bav h PRO 214 N 1.69 0.00 -0.44 0.37 0.11 -1.99 -1.16 132.00 130.58 1bav h PRO 214 Ca -0.50 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.43 1bav h PRO 214 Cb 1.27 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.27 1bav h PRO 214 CO 0.59 0.00 0.07 -0.25 -0.21 0.00 0.00 178.00 178.19 1bav n ASP 215 N -3.82 3.21 -0.16 -2.05 8.00 -1.26 -4.80 116.55 115.67 1bav n ASP 215 Ca 0.12 -3.51 -0.02 0.00 0.71 0.00 0.00 54.79 52.08 1bav n ASP 215 Cb 0.79 -0.65 0.06 0.00 -0.02 0.00 0.00 41.12 41.30 1bav n ASP 215 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1bav h LYS 216 N 1.35 0.10 -0.14 -1.24 3.11 -1.57 -1.33 116.57 116.85 1bav h LYS 216 Ca 0.22 -0.01 0.02 0.00 -2.81 0.00 0.00 60.65 58.08 1bav h LYS 216 Cb 1.82 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 33.01 1bav h LYS 216 CO 0.47 0.07 0.01 1.15 -2.81 0.00 0.00 179.45 178.34 1bav h THR 217 N 0.11 0.92 0.11 1.00 2.02 -1.87 -0.08 112.91 115.11 1bav h THR 217 Ca 0.25 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.41 1bav h THR 217 Cb 0.38 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1bav h THR 217 CO -0.42 0.01 -0.09 -0.08 0.37 0.00 0.00 175.52 175.30 1bav h GLU 218 N 0.07 -0.21 -0.40 6.66 4.81 -1.83 -1.98 114.58 121.70 1bav h GLU 218 Ca 0.07 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1bav h GLU 218 Cb 0.07 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1bav h GLU 218 CO -0.10 -0.14 0.12 -0.07 -0.73 0.00 0.00 179.01 178.09 1bav h LEU 219 N -0.21 0.53 -1.16 1.64 4.07 -1.07 -1.29 115.31 117.81 1bav h LEU 219 Ca 0.00 -0.07 -0.04 0.00 0.08 0.00 0.00 57.88 57.85 1bav h LEU 219 Cb 0.20 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 1bav h LEU 219 CO -0.02 0.51 0.10 -1.13 -1.08 0.00 0.00 178.44 176.83 1bav h ASN 220 N 0.57 0.64 0.23 -0.43 -0.73 -0.65 -1.30 115.58 113.91 1bav h ASN 220 Ca 0.14 -0.10 -0.01 0.00 1.87 0.00 0.00 56.30 58.19 1bav h ASN 220 Cb 0.18 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.61 1bav h ASN 220 CO -0.01 0.64 -0.11 -0.61 -0.37 0.00 0.00 177.43 176.97 1bav h GLN 221 N 0.67 -0.29 -0.88 6.67 5.75 -0.52 -1.24 115.11 125.27 1bav h GLN 221 Ca 0.15 0.02 0.11 0.00 -0.15 0.00 0.00 58.65 58.78 1bav h GLN 221 Cb 0.26 0.07 -0.08 0.00 1.07 0.00 0.00 27.48 28.80 1bav h GLN 221 CO -0.00 0.02 0.52 0.28 -2.65 0.00 0.00 178.83 177.00 1bav h VAL 222 N -0.63 0.88 -0.30 2.39 2.07 -1.14 0.75 116.25 120.27 1bav h VAL 222 Ca -0.03 -0.28 -0.12 0.00 0.82 0.00 0.00 66.70 67.08 1bav h VAL 222 Cb 0.45 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1bav h VAL 222 CO 0.05 0.15 -0.30 0.00 0.02 0.00 0.00 177.57 177.50 1bav h ALA 223 N 1.50 0.45 -0.87 1.67 0.00 -1.21 -0.59 119.26 120.20 1bav h ALA 223 Ca 0.44 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1bav h ALA 223 Cb 0.45 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1bav h ALA 223 CO -0.27 0.47 0.49 -0.22 0.00 0.00 0.00 179.25 179.72 1bav h LYS 224 N 0.49 1.20 0.15 0.00 3.64 -0.46 -0.84 116.57 120.75 1bav h LYS 224 Ca 0.05 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1bav h LYS 224 Cb 0.87 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1bav h LYS 224 CO 0.07 0.86 -0.07 0.77 -2.27 0.00 0.00 179.45 178.82 1bav h SER 225 N 1.21 -0.17 -0.47 4.20 0.02 -0.73 -2.86 113.55 114.75 1bav h SER 225 Ca 0.31 -0.22 0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1bav h SER 225 Cb 0.00 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 1bav h SER 225 CO -0.05 0.14 0.25 0.00 -1.14 0.00 0.00 176.83 176.02 1bav h ALA 226 N 0.31 0.60 -0.21 3.77 0.00 -0.85 -1.47 119.26 121.41 1bav h ALA 226 Ca -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1bav h ALA 226 Cb 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1bav h ALA 226 CO 0.03 -0.09 0.05 0.28 0.00 0.00 0.00 179.25 179.53 1bav h VAL 227 N 0.50 1.11 -0.38 0.00 2.07 -1.19 -0.62 116.25 117.73 1bav h VAL 227 Ca 0.20 -0.37 -0.11 0.00 0.82 0.00 0.00 66.70 67.24 1bav h VAL 227 Cb 0.08 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1bav h VAL 227 CO -0.13 0.13 -0.18 0.00 0.02 0.00 0.00 177.57 177.41 1bav h ALA 228 N 1.77 0.53 -0.46 1.67 0.00 -1.04 -0.83 119.26 120.90 1bav h ALA 228 Ca 0.07 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1bav h ALA 228 Cb 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1bav h ALA 228 CO -0.00 0.47 -0.15 0.00 0.00 0.00 0.00 179.25 179.57 1bav h ALA 229 N 0.80 0.87 -0.28 0.00 0.00 -0.99 -2.12 119.26 117.54 1bav h ALA 229 Ca 0.08 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1bav h ALA 229 Cb 0.73 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1bav h ALA 229 CO 0.06 0.64 0.14 1.25 0.00 0.00 0.00 179.25 181.33 1bav h LEU 230 N 0.77 0.36 -1.74 0.00 6.46 -0.88 -2.80 115.31 117.48 1bav h LEU 230 Ca 0.12 -0.11 -0.03 0.00 -0.12 0.00 0.00 57.88 57.74 1bav h LEU 230 Cb 0.67 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1bav h LEU 230 CO 0.05 0.37 -0.13 0.50 -0.62 0.00 0.00 178.44 178.61 1bav h LYS 231 N 0.32 0.00 0.00 1.25 3.64 -0.99 -3.19 116.57 117.61 1bav h LYS 231 Ca 0.10 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1bav h LYS 231 Cb 0.10 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1bav h LYS 231 CO -0.01 0.13 -0.00 0.66 -2.27 0.00 0.00 179.45 177.95 1bav h SER 232 N 0.00 0.00 0.24 4.20 4.64 -1.10 -0.70 113.55 120.83 1bav h SER 232 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1bav h SER 232 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1bav h SER 232 CO 0.02 0.00 -0.11 0.25 -0.87 0.00 0.00 176.83 176.11 1bav h LEU 233 N 0.00 -0.27 -2.10 5.97 6.46 -1.70 -3.42 115.31 120.25 1bav h LEU 233 Ca -0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1bav h LEU 233 Cb 0.00 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.00 1bav h LEU 233 CO 0.00 0.18 0.00 -1.22 -0.62 0.00 0.00 178.44 176.78 1bav n TYR 234 N -4.93 0.00 -1.05 1.25 4.01 -1.24 -5.00 117.16 110.19 1bav n TYR 234 Ca -0.04 -0.29 -0.02 0.00 -0.16 0.00 0.00 57.90 57.39 1bav n TYR 234 Cb 0.12 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.12 1bav n TYR 234 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bav n GLY 235 N -0.29 0.54 3.71 2.72 0.00 -0.27 -4.98 105.19 106.62 1bav n GLY 235 Ca 0.00 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 1bav n GLY 235 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bav s THR 236 N -2.00 3.27 -0.32 2.61 2.01 -1.26 -4.98 115.64 114.97 1bav s THR 236 Ca 0.00 0.90 -0.11 0.00 0.31 0.00 0.00 61.69 62.79 1bav s THR 236 Cb 0.00 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.92 1bav s THR 236 CO 0.00 0.07 0.18 -0.44 -0.69 0.00 0.00 174.62 173.74 1bav s SER 237 N 1.16 5.76 0.20 3.53 0.01 -1.26 -4.04 113.70 119.06 1bav s SER 237 Ca 0.65 -0.43 0.06 0.00 1.31 0.00 0.00 55.95 57.54 1bav s SER 237 Cb -0.37 -2.06 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 1bav s SER 237 CO 0.30 -0.19 0.13 -0.31 0.41 0.00 0.00 173.24 173.58 1bav s TYR 238 N 1.66 3.06 0.23 2.43 1.51 -1.26 -4.89 117.35 120.09 1bav s TYR 238 Ca 0.05 -0.08 0.08 0.00 -1.01 0.00 0.00 57.07 56.11 1bav s TYR 238 Cb -0.17 -1.43 -0.04 0.00 -0.11 0.00 0.00 41.96 40.21 1bav s TYR 238 CO 0.08 0.53 0.07 0.15 -1.11 0.00 0.00 175.55 175.27 1bav s LYS 239 N -3.38 2.56 -0.00 -0.62 3.01 -0.77 -4.98 119.74 115.55 1bav s LYS 239 Ca 0.31 -1.18 -0.14 0.00 -1.01 0.00 0.00 55.97 53.95 1bav s LYS 239 Cb -0.09 -2.37 0.02 0.00 -1.01 0.00 0.00 37.83 34.38 1bav s LYS 239 CO 0.23 0.41 0.30 1.52 0.51 0.00 0.00 175.35 178.32 1bav s TYR 240 N -2.06 -0.15 0.00 3.18 1.13 -1.26 -0.51 117.35 117.67 1bav s TYR 240 Ca 0.31 0.19 0.00 0.00 -1.41 0.00 0.00 57.07 56.16 1bav s TYR 240 Cb -0.08 0.09 0.00 0.00 -1.10 0.00 0.00 41.96 40.87 1bav s TYR 240 CO 0.21 -0.41 0.00 0.41 -2.51 0.00 0.00 175.55 173.26 1bav n GLY 241 N 1.15 -0.35 3.76 5.49 0.00 -1.08 -4.99 105.19 109.17 1bav n GLY 241 Ca -0.21 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 43.93 1bav n GLY 241 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bav s SER 242 N 0.00 5.76 0.17 1.61 1.04 -1.25 -1.22 113.70 119.81 1bav s SER 242 Ca 0.00 2.51 -0.23 0.00 0.48 0.00 0.00 55.95 58.71 1bav s SER 242 Cb 0.00 -2.62 0.08 0.00 0.10 0.00 0.00 66.02 63.58 1bav s SER 242 CO 0.00 -1.21 1.58 0.40 0.98 0.00 0.00 173.24 174.99 1bav h ILE 243 N 1.68 0.15 -0.62 -1.02 2.04 -0.47 -2.43 117.51 116.83 1bav h ILE 243 Ca -0.50 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.49 1bav h ILE 243 Cb 1.27 0.15 -0.11 0.00 -0.74 0.00 0.00 36.82 37.39 1bav h ILE 243 CO 0.59 0.00 -0.07 -0.29 0.00 0.00 0.00 178.15 178.38 1bav h ILE 244 N -0.21 0.44 -0.68 -0.67 2.10 -1.06 -1.64 117.51 115.78 1bav h ILE 244 Ca 0.20 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 66.12 1bav h ILE 244 Cb 0.56 0.37 0.00 0.00 -1.09 0.00 0.00 36.82 36.65 1bav h ILE 244 CO -0.64 0.01 0.00 0.41 -1.08 0.00 0.00 178.15 176.85 1bav n THR 245 N -5.35 0.93 -0.04 2.19 -1.04 -1.12 -3.51 114.28 106.34 1bav n THR 245 Ca 0.08 -0.97 0.01 0.00 -2.04 0.00 0.00 64.05 61.14 1bav n THR 245 Cb 0.35 0.57 -0.12 0.00 -1.82 0.00 0.00 70.33 69.31 1bav n THR 245 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1bav n THR 246 N 1.60 0.45 0.10 12.58 -2.24 -0.69 -4.92 114.28 121.16 1bav n THR 246 Ca 0.23 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1bav n THR 246 Cb 0.62 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1bav n THR 246 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1bav n ILE 247 N -2.27 0.05 -3.60 2.28 -6.64 -0.74 -5.06 119.36 103.39 1bav n ILE 247 Ca -0.12 0.02 0.01 0.00 -1.77 0.00 0.00 62.75 60.88 1bav n ILE 247 Cb 0.66 -0.41 -0.01 0.00 -1.44 0.00 0.00 39.64 38.45 1bav n ILE 247 CO 0.00 0.00 0.00 -0.72 -1.77 0.00 0.00 176.55 174.06 1bav s TYR 248 N -1.69 -0.03 -0.00 4.28 -0.85 -1.17 -5.04 117.35 112.85 1bav s TYR 248 Ca 0.00 -0.01 -0.30 0.00 -0.52 0.00 0.00 57.07 56.24 1bav s TYR 248 Cb 0.00 0.52 -0.05 0.00 0.38 0.00 0.00 41.96 42.81 1bav s TYR 248 CO 0.00 -0.13 1.30 -1.14 -1.52 0.00 0.00 175.55 174.06 1bav s GLN 249 N -2.21 4.33 -0.05 -3.49 0.74 -1.26 -3.79 119.66 113.94 1bav s GLN 249 Ca 0.13 1.84 -0.02 0.00 0.05 0.00 0.00 55.36 57.36 1bav s GLN 249 Cb 0.04 -3.51 0.03 0.00 1.10 0.00 0.00 33.01 30.67 1bav s GLN 249 CO -0.05 -0.47 0.10 0.00 -0.55 0.00 0.00 175.29 174.33 1bav s ALA 250 N 2.03 -0.15 0.33 1.58 0.00 -0.82 -4.27 121.76 120.46 1bav s ALA 250 Ca 0.60 0.52 0.07 0.00 0.00 0.00 0.00 51.96 53.15 1bav s ALA 250 Cb -0.29 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 1bav s ALA 250 CO 0.26 -0.13 0.38 -1.54 0.00 0.00 0.00 175.76 174.73 1bav s SER 251 N 1.02 5.67 -0.40 0.00 1.04 0.08 -1.94 113.70 119.16 1bav s SER 251 Ca -0.08 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1bav s SER 251 Cb -0.11 -1.14 0.00 0.00 0.10 0.00 0.00 66.02 64.87 1bav s SER 251 CO -0.04 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1bav n GLY 252 N -1.50 0.52 3.78 7.32 0.00 -0.37 -4.34 105.19 110.59 1bav n GLY 252 Ca -0.01 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1bav n GLY 252 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bav s GLY 253 N -2.23 2.47 0.20 -0.02 0.00 -1.23 -0.69 107.32 105.82 1bav s GLY 253 Ca 0.00 0.67 -0.05 0.00 0.00 0.00 0.00 44.72 45.34 1bav s GLY 253 CO 0.00 1.01 1.59 1.76 0.00 0.00 0.00 173.10 177.46 1bav h SER 254 N 1.06 0.79 -0.00 1.64 0.02 -1.89 -3.02 113.55 112.14 1bav h SER 254 Ca -0.49 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.15 1bav h SER 254 Cb 1.24 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.56 1bav h SER 254 CO 0.57 1.03 0.00 -0.29 -1.14 0.00 0.00 176.83 177.00 1bav h ILE 255 N 0.66 0.88 0.00 3.27 6.09 -1.95 0.32 117.51 126.78 1bav h ILE 255 Ca 0.08 0.00 -0.13 0.00 -1.37 0.00 0.00 64.86 63.44 1bav h ILE 255 Cb 0.81 1.00 -0.02 0.00 0.47 0.00 0.00 36.82 39.08 1bav h ILE 255 CO 0.07 0.00 -0.61 0.44 -3.07 0.00 0.00 178.15 174.98 1bav h ASP 256 N 0.00 0.00 0.05 2.19 3.32 -1.93 -2.35 116.42 117.70 1bav h ASP 256 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1bav h ASP 256 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1bav h ASP 256 CO -0.00 0.61 -0.03 -0.25 -1.72 0.00 0.00 179.24 177.85 1bav h TRP 257 N 0.00 -0.07 -0.61 4.55 7.01 -0.78 -2.77 115.95 123.29 1bav h TRP 257 Ca -0.01 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 1bav h TRP 257 Cb 1.45 0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 28.51 1bav h TRP 257 CO 0.00 0.55 0.31 0.66 -2.79 0.00 0.00 178.44 177.17 1bav h SER 258 N -0.85 0.76 -0.68 2.65 4.64 -0.56 -0.80 113.55 118.69 1bav h SER 258 Ca -0.01 -0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 1bav h SER 258 Cb 0.65 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 1bav h SER 258 CO 0.01 0.63 0.24 0.22 -0.87 0.00 0.00 176.83 177.07 1bav h TYR 259 N 0.85 1.07 0.00 4.77 3.20 -1.51 -1.24 116.97 124.11 1bav h TYR 259 Ca 0.21 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1bav h TYR 259 Cb 0.06 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.02 1bav h TYR 259 CO 0.01 0.85 0.00 0.09 -1.64 0.00 0.00 178.16 177.46 1bav n ASN 260 N -4.35 0.45 -0.48 -2.11 3.02 -0.42 -1.52 115.26 109.85 1bav n ASN 260 Ca 0.05 0.60 0.14 0.00 -0.03 0.00 0.00 54.58 55.34 1bav n ASN 260 Cb 0.20 -0.70 0.52 0.00 -0.61 0.00 0.00 39.78 39.19 1bav n ASN 260 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bav n GLN 261 N -1.99 1.66 -0.38 3.52 1.13 -0.51 -4.92 117.38 115.89 1bav n GLN 261 Ca 0.03 -0.96 0.00 0.00 -1.94 0.00 0.00 57.00 54.13 1bav n GLN 261 Cb 0.23 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.10 1bav n GLN 261 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bav n GLY 262 N 1.17 0.78 3.34 1.08 0.00 -0.58 -5.03 105.19 105.96 1bav n GLY 262 Ca 0.19 -0.26 -0.45 0.00 0.00 0.00 0.00 46.02 45.49 1bav n GLY 262 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bav s ILE 263 N -2.00 5.07 0.16 -0.61 1.01 -0.69 -4.95 121.20 119.19 1bav s ILE 263 Ca 0.00 -1.29 -0.13 0.00 0.00 0.00 0.00 60.65 59.23 1bav s ILE 263 Cb 0.00 -4.38 0.04 0.00 0.01 0.00 0.00 42.46 38.13 1bav s ILE 263 CO 0.00 -0.94 1.71 0.50 0.00 0.00 0.00 174.94 176.21 1bav h LYS 264 N 8.99 0.77 -3.85 2.79 3.64 -1.85 -3.33 116.57 123.73 1bav h LYS 264 Ca -0.30 -0.14 -0.76 0.00 -1.27 0.00 0.00 60.65 58.19 1bav h LYS 264 Cb 1.10 -0.13 -0.17 0.00 -0.41 0.00 0.00 32.23 32.62 1bav h LYS 264 CO 1.05 0.68 1.71 0.66 -2.27 0.00 0.00 179.45 181.28 1bav n TYR 265 N -4.54 3.57 -3.75 1.91 4.01 -1.17 -4.93 117.16 112.26 1bav n TYR 265 Ca 0.02 -2.98 -0.38 0.00 -0.16 0.00 0.00 57.90 54.41 1bav n TYR 265 Cb 0.15 -1.98 -0.12 0.00 -0.31 0.00 0.00 39.34 37.08 1bav n TYR 265 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1bav s SER 266 N 1.31 5.23 0.05 7.72 0.01 -1.26 -1.05 113.70 125.72 1bav s SER 266 Ca 0.40 -0.97 0.04 0.00 1.31 0.00 0.00 55.95 56.73 1bav s SER 266 Cb 0.05 -1.87 -0.02 0.00 0.21 0.00 0.00 66.02 64.38 1bav s SER 266 CO 0.01 -0.27 -0.13 -0.36 0.41 0.00 0.00 173.24 172.90 1bav s PHE 267 N 1.44 1.10 -0.20 2.43 0.40 -0.69 -4.37 117.98 118.09 1bav s PHE 267 Ca 0.00 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 1bav s PHE 267 Cb -0.19 -0.64 0.02 0.00 0.51 0.00 0.00 43.02 42.73 1bav s PHE 267 CO 0.03 0.02 -0.15 0.99 0.70 0.00 0.00 175.22 176.80 1bav s THR 268 N -1.10 2.33 0.06 0.64 2.01 0.44 -1.14 115.64 118.89 1bav s THR 268 Ca -0.02 -0.96 -0.14 0.00 0.31 0.00 0.00 61.69 60.88 1bav s THR 268 Cb -0.09 -2.06 -0.06 0.00 0.01 0.00 0.00 72.50 70.30 1bav s THR 268 CO 0.02 0.43 0.46 -0.36 -0.69 0.00 0.00 174.62 174.48 1bav s PHE 269 N 1.30 3.68 -0.32 4.92 0.40 0.24 -0.05 117.98 128.15 1bav s PHE 269 Ca 0.03 1.00 0.01 0.00 -0.60 0.00 0.00 56.93 57.38 1bav s PHE 269 Cb -0.14 -2.31 0.10 0.00 0.51 0.00 0.00 43.02 41.18 1bav s PHE 269 CO -0.10 0.56 0.07 -1.21 0.70 0.00 0.00 175.22 175.24 1bav s GLU 270 N -1.47 1.09 0.55 0.44 0.41 -0.25 -0.50 118.70 118.97 1bav s GLU 270 Ca 0.30 -1.41 -0.09 0.00 -0.41 0.00 0.00 54.97 53.36 1bav s GLU 270 Cb -0.16 -2.54 0.14 0.00 -1.78 0.00 0.00 34.13 29.79 1bav s GLU 270 CO 0.17 -0.94 0.41 1.28 -0.49 0.00 0.00 175.26 175.69 1bav n LEU 271 N 4.58 0.00 -4.69 1.80 4.32 0.19 -1.32 117.00 121.89 1bav n LEU 271 Ca -0.00 -0.43 -0.32 0.00 -0.02 0.00 0.00 56.01 55.24 1bav n LEU 271 Cb 0.42 -0.41 0.14 0.00 -1.62 0.00 0.00 43.42 41.95 1bav n LEU 271 CO 0.16 -1.73 0.72 -0.13 -1.22 0.00 0.00 177.39 175.19 1bav s ARG 272 N -3.96 1.36 0.00 3.23 0.52 -1.26 -1.76 118.95 117.09 1bav s ARG 272 Ca 0.29 1.61 0.00 0.00 -0.52 0.00 0.00 55.73 57.11 1bav s ARG 272 Cb -0.04 -1.76 0.00 0.00 0.52 0.00 0.00 34.95 33.67 1bav s ARG 272 CO 0.23 -2.39 0.00 -0.40 0.02 0.00 0.00 175.30 172.76 1bav n ASP 273 N -3.79 0.00 -0.55 0.23 5.68 -1.26 -4.60 116.55 112.26 1bav n ASP 273 Ca 0.12 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.51 1bav n ASP 273 Cb 0.51 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.52 1bav n ASP 273 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1bav n THR 274 N 0.00 0.00 0.00 2.12 -2.24 -1.26 -0.42 114.28 112.47 1bav n THR 274 Ca 0.00 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1bav n THR 274 Cb 0.00 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 1bav n THR 274 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bav n GLY 275 N 1.19 0.80 0.40 3.38 0.00 -1.26 -4.84 105.19 104.86 1bav n GLY 275 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 1bav n GLY 275 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1bav h ARG 276 N 0.00 -0.41 0.00 1.61 1.12 -2.02 -3.23 114.38 111.44 1bav h ARG 276 Ca 0.00 0.03 -0.04 0.00 -1.11 0.00 0.00 59.98 58.86 1bav h ARG 276 Cb 0.00 0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.05 1bav h ARG 276 CO 0.00 -0.27 -1.67 0.66 -3.11 0.00 0.00 179.97 175.58 1bav n TYR 277 N -5.42 0.00 0.00 2.20 4.01 -1.26 -5.07 117.16 111.61 1bav n TYR 277 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1bav n TYR 277 Cb 0.36 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 1bav n TYR 277 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bav n GLY 278 N 1.80 3.72 0.26 2.72 0.00 -1.22 -1.90 105.19 110.57 1bav n GLY 278 Ca -0.05 -0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.09 1bav n GLY 278 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1bav h PHE 279 N 0.00 0.00 -1.09 1.61 0.04 -1.92 -3.19 116.94 112.39 1bav h PHE 279 Ca 0.00 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 60.19 1bav h PHE 279 Cb 0.00 0.00 -0.23 0.00 2.20 0.00 0.00 35.95 37.92 1bav h PHE 279 CO 0.00 0.09 0.73 1.28 -0.60 0.00 0.00 178.31 179.81 1bav n LEU 280 N -3.29 7.19 -4.67 1.54 4.32 -0.80 -4.44 117.00 116.85 1bav n LEU 280 Ca -0.00 -4.13 -0.47 0.00 -0.02 0.00 0.00 56.01 51.39 1bav n LEU 280 Cb 0.31 -1.06 -0.04 0.00 -1.62 0.00 0.00 43.42 41.01 1bav n LEU 280 CO 0.29 1.51 1.24 -0.11 -1.22 0.00 0.00 177.39 179.10 1bav n LEU 281 N -0.26 3.12 -4.71 2.23 -0.00 -1.21 -4.91 117.00 111.26 1bav n LEU 281 Ca 0.51 1.06 -0.38 0.00 -0.00 0.00 0.00 56.01 57.20 1bav n LEU 281 Cb 0.53 -1.41 0.05 0.00 -0.00 0.00 0.00 43.42 42.60 1bav n LEU 281 CO 0.57 -0.27 0.87 -2.65 -0.00 0.00 0.00 177.39 175.91 1bav n PRO 282 N 3.99 1.39 0.32 1.96 -0.02 -1.26 -4.85 135.00 136.55 1bav n PRO 282 Ca 0.18 0.52 0.20 0.00 -2.02 0.00 0.00 63.50 62.38 1bav n PRO 282 Cb 0.29 -2.47 1.07 0.00 -0.02 0.00 0.00 33.50 32.36 1bav n PRO 282 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bav h ALA 283 N 1.04 1.09 0.00 3.55 0.00 -1.91 -0.76 119.26 122.27 1bav h ALA 283 Ca -0.50 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1bav h ALA 283 Cb 1.33 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1bav h ALA 283 CO 0.55 -0.09 -0.11 0.66 0.00 0.00 0.00 179.25 180.27 1bav h SER 284 N 0.00 0.00 0.09 0.00 4.64 -1.89 -2.79 113.55 113.60 1bav h SER 284 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bav h SER 284 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1bav h SER 284 CO 0.00 0.11 -0.32 0.00 -0.87 0.00 0.00 176.83 175.75 1bav n GLN 285 N -3.38 1.16 0.06 4.77 6.02 -0.29 -4.58 117.38 121.14 1bav n GLN 285 Ca -0.01 -0.84 -0.09 0.00 -0.01 0.00 0.00 57.00 56.04 1bav n GLN 285 Cb 0.29 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 30.01 1bav n GLN 285 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1bav h ILE 286 N 2.06 0.00 -0.28 5.09 2.04 -1.61 -1.68 117.51 123.14 1bav h ILE 286 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1bav h ILE 286 Cb 0.65 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 1bav h ILE 286 CO 0.00 0.00 -0.06 0.40 0.00 0.00 0.00 178.15 178.49 1bav h ILE 287 N -0.43 0.74 0.02 -0.67 2.04 -1.80 -1.07 117.51 116.33 1bav h ILE 287 Ca -0.00 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1bav h ILE 287 Cb 0.43 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1bav h ILE 287 CO -0.16 0.00 -0.12 -0.65 0.00 0.00 0.00 178.15 177.22 1bav h PRO 288 N 0.01 -0.20 -0.80 2.37 0.11 -1.82 0.96 132.00 132.63 1bav h PRO 288 Ca 0.13 0.01 0.13 0.00 0.11 0.00 0.00 66.00 66.39 1bav h PRO 288 Cb 0.20 0.05 -0.09 0.00 0.11 0.00 0.00 31.00 31.26 1bav h PRO 288 CO -0.27 -0.13 0.39 1.15 -0.21 0.00 0.00 178.00 178.92 1bav h THR 289 N -0.21 0.73 -0.42 -1.15 2.02 -1.04 -0.59 112.91 112.26 1bav h THR 289 Ca 0.04 -0.20 -0.13 0.00 0.77 0.00 0.00 66.41 66.89 1bav h THR 289 Cb 0.25 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1bav h THR 289 CO -0.10 0.10 -0.26 0.00 0.37 0.00 0.00 175.52 175.63 1bav h ALA 290 N 1.53 0.59 -0.53 6.16 0.00 -0.51 -1.13 119.26 125.36 1bav h ALA 290 Ca 0.43 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1bav h ALA 290 Cb 0.59 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1bav h ALA 290 CO -0.35 0.61 0.11 1.96 0.00 0.00 0.00 179.25 181.58 1bav h GLN 291 N 0.74 0.86 -0.03 0.00 4.20 0.09 -0.73 115.11 120.24 1bav h GLN 291 Ca 0.09 -0.22 -0.24 0.00 0.06 0.00 0.00 58.65 58.34 1bav h GLN 291 Cb 0.84 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 28.52 1bav h GLN 291 CO 0.07 0.83 -0.93 1.05 -0.67 0.00 0.00 178.83 179.18 1bav h GLU 292 N 0.75 0.57 -0.76 1.46 4.11 -1.14 -3.13 114.58 116.45 1bav h GLU 292 Ca 0.16 -0.57 -0.04 0.00 0.07 0.00 0.00 59.36 58.98 1bav h GLU 292 Cb 0.36 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1bav h GLU 292 CO 0.00 1.19 0.31 0.00 0.07 0.00 0.00 179.01 180.59 1bav h THR 293 N 0.34 1.25 -0.60 -1.06 1.03 -1.10 -1.81 112.91 110.97 1bav h THR 293 Ca -0.09 -0.78 0.00 0.00 -0.01 0.00 0.00 66.41 65.53 1bav h THR 293 Cb 1.56 0.34 -0.03 0.00 -1.07 0.00 0.00 68.15 68.95 1bav h THR 293 CO 0.17 0.32 0.37 -0.25 -0.01 0.00 0.00 175.52 176.12 1bav h TRP 294 N 1.10 0.76 -0.75 0.00 -0.00 -1.14 0.42 115.95 116.34 1bav h TRP 294 Ca 0.25 0.01 -0.04 0.00 -0.00 0.00 0.00 58.89 59.12 1bav h TRP 294 Cb 0.20 -0.26 -0.03 0.00 -0.00 0.00 0.00 29.16 29.07 1bav h TRP 294 CO 0.02 0.50 0.33 -0.07 -0.00 0.00 0.00 178.44 179.21 1bav h LEU 295 N 0.81 0.99 -0.47 0.65 4.07 -1.29 0.13 115.31 120.22 1bav h LEU 295 Ca 0.22 -0.13 -0.17 0.00 0.08 0.00 0.00 57.88 57.87 1bav h LEU 295 Cb -0.05 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.42 1bav h LEU 295 CO -0.04 0.86 -0.71 1.23 -1.08 0.00 0.00 178.44 178.70 1bav h GLY 296 N 1.12 0.34 1.22 0.83 0.00 -0.78 -3.01 103.07 102.79 1bav h GLY 296 Ca 0.25 -0.49 -0.25 0.00 0.00 0.00 0.00 47.33 46.85 1bav h GLY 296 CO -0.03 0.43 -0.93 -2.08 0.00 0.00 0.00 176.54 173.93 1bav h VAL 297 N 0.21 1.28 -0.57 4.60 2.07 -0.56 -3.13 116.25 120.15 1bav h VAL 297 Ca -0.02 -2.14 0.03 0.00 0.82 0.00 0.00 66.70 65.38 1bav h VAL 297 Cb 1.27 2.22 -0.04 0.00 -1.52 0.00 0.00 31.29 33.22 1bav h VAL 297 CO 0.12 0.67 0.35 0.25 0.02 0.00 0.00 177.57 178.97 1bav h LEU 298 N 0.45 0.56 -1.02 2.57 6.46 -0.80 -0.98 115.31 122.55 1bav h LEU 298 Ca -0.10 0.00 0.10 0.00 -0.12 0.00 0.00 57.88 57.77 1bav h LEU 298 Cb 1.57 -0.12 -0.08 0.00 -0.73 0.00 0.00 40.66 41.31 1bav h LEU 298 CO 0.18 0.39 0.64 0.74 -0.62 0.00 0.00 178.44 179.78 1bav h THR 299 N 0.69 0.98 0.05 1.05 2.02 -1.55 -2.25 112.91 113.89 1bav h THR 299 Ca 0.23 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1bav h THR 299 Cb 0.03 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.27 1bav h THR 299 CO -0.10 0.19 -0.02 0.40 0.37 0.00 0.00 175.52 176.36 1bav h ILE 300 N 1.06 1.23 -0.54 3.11 2.04 -1.29 -3.08 117.51 120.03 1bav h ILE 300 Ca 0.47 -0.97 0.16 0.00 1.00 0.00 0.00 64.86 65.52 1bav h ILE 300 Cb 0.37 1.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 1bav h ILE 300 CO -0.23 0.24 0.52 0.24 0.00 0.00 0.00 178.15 178.93 1bav h MET 301 N -0.50 0.00 0.11 2.37 2.86 -0.72 -0.51 114.93 118.55 1bav h MET 301 Ca -0.01 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.35 1bav h MET 301 Cb 0.45 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.13 1bav h MET 301 CO 0.01 0.00 -1.21 0.93 1.06 0.00 0.00 176.91 177.70 1bav h GLU 302 N 0.00 0.49 0.00 1.72 5.08 -1.34 -2.60 114.58 117.93 1bav h GLU 302 Ca 0.26 -0.67 -0.04 0.00 -1.00 0.00 0.00 59.36 57.90 1bav h GLU 302 Cb 1.30 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1bav h GLU 302 CO -0.00 1.29 -0.19 1.25 -1.00 0.00 0.00 179.01 180.36 1bav h HIS 303 N 0.20 0.00 -0.04 4.33 2.76 -1.06 -2.45 115.15 118.90 1bav h HIS 303 Ca -0.16 0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 57.77 1bav h HIS 303 Cb 1.89 0.00 0.02 0.00 1.55 0.00 0.00 27.41 30.87 1bav h HIS 303 CO 0.09 0.19 -0.90 1.15 -1.30 0.00 0.00 177.93 177.16 1bav h THR 304 N 0.00 1.30 -0.42 6.26 2.02 -1.50 -2.72 112.91 117.86 1bav h THR 304 Ca -0.00 -2.14 -0.08 0.00 0.77 0.00 0.00 66.41 64.96 1bav h THR 304 Cb 0.37 2.31 -0.02 0.00 -1.74 0.00 0.00 68.15 69.08 1bav h THR 304 CO 0.02 0.66 -0.05 1.62 0.37 0.00 0.00 175.52 178.14 1bav h VAL 305 N 0.35 1.24 -0.25 3.16 3.04 -1.04 -2.69 116.25 120.05 1bav h VAL 305 Ca -0.10 -1.03 0.00 0.00 -1.01 0.00 0.00 66.70 64.56 1bav h VAL 305 Cb 1.56 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 1bav h VAL 305 CO 0.18 0.35 0.00 0.59 -1.01 0.00 0.00 177.57 177.68 1bav n ASN 306 N -4.21 2.48 0.00 3.17 3.02 -0.96 -5.12 115.26 113.64 1bav n ASN 306 Ca 0.02 -1.85 0.00 0.00 -0.03 0.00 0.00 54.58 52.72 1bav n ASN 306 Cb 0.31 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 1bav n ASN 306 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23