#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwf s LYS 3 N 0.00 3.42 0.32 5.31 1.02 -1.25 -4.34 119.74 124.22 1bwf s LYS 3 Ca 0.00 -1.49 0.19 0.00 0.02 0.00 0.00 55.97 54.69 1bwf s LYS 3 Cb 0.00 -5.39 0.16 0.00 -0.52 0.00 0.00 37.83 32.08 1bwf s LYS 3 CO 0.00 -2.79 1.43 0.87 -0.92 0.00 0.00 175.35 173.95 1bwf h LYS 4 N 8.82 0.00 0.00 1.68 1.57 0.38 -3.40 116.57 125.62 1bwf h LYS 4 Ca 0.32 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.64 1bwf h LYS 4 Cb 0.92 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.14 1bwf h LYS 4 CO 1.37 0.23 -0.36 0.66 -0.57 0.00 0.00 179.45 180.78 1bwf n TYR 5 N -3.10 0.42 -3.95 -1.35 4.01 1.03 -4.20 117.16 110.02 1bwf n TYR 5 Ca 0.02 -1.98 -0.09 0.00 -0.16 0.00 0.00 57.90 55.69 1bwf n TYR 5 Cb 0.64 -0.10 -0.09 0.00 -0.31 0.00 0.00 39.34 39.48 1bwf n TYR 5 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 1bwf s ILE 6 N -2.60 0.16 -0.05 -0.72 2.07 -1.05 0.42 121.20 119.42 1bwf s ILE 6 Ca 0.10 -1.30 0.04 0.00 -1.41 0.00 0.00 60.65 58.08 1bwf s ILE 6 Cb 0.00 -1.17 0.00 0.00 0.13 0.00 0.00 42.46 41.42 1bwf s ILE 6 CO 0.07 -0.72 -0.17 -0.69 -1.91 0.00 0.00 174.94 171.52 1bwf s VAL 7 N -3.29 1.44 -0.11 4.00 1.01 -0.13 -2.31 120.40 121.01 1bwf s VAL 7 Ca 0.01 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 1bwf s VAL 7 Cb 0.03 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 1bwf s VAL 7 CO -0.08 0.42 -0.03 0.00 0.00 0.00 0.00 175.10 175.41 1bwf s ALA 8 N 0.19 3.09 -0.14 5.51 0.00 0.10 0.11 121.76 130.63 1bwf s ALA 8 Ca -0.08 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 1bwf s ALA 8 Cb -0.13 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.51 1bwf s ALA 8 CO 0.03 0.42 -0.06 -0.51 0.00 0.00 0.00 175.76 175.64 1bwf s LEU 9 N -0.32 3.12 -0.32 0.00 1.02 -0.98 -1.27 118.68 119.93 1bwf s LEU 9 Ca 0.06 -0.16 0.02 0.00 0.02 0.00 0.00 54.13 54.07 1bwf s LEU 9 Cb -0.12 -1.73 0.10 0.00 0.02 0.00 0.00 46.19 44.45 1bwf s LEU 9 CO 0.02 0.19 0.06 -0.62 0.02 0.00 0.00 176.35 176.02 1bwf s ASP 10 N 0.22 4.46 -0.62 2.29 -1.08 0.19 -0.90 116.67 121.23 1bwf s ASP 10 Ca -0.04 -1.92 -0.21 0.00 -0.52 0.00 0.00 52.55 49.87 1bwf s ASP 10 Cb -0.14 -1.34 0.08 0.00 -1.46 0.00 0.00 42.92 40.06 1bwf s ASP 10 CO 0.03 -0.38 0.84 -1.58 0.52 0.00 0.00 175.17 174.61 1bwf s GLN 11 N 1.18 3.09 0.23 4.34 -0.44 0.02 0.17 119.66 128.25 1bwf s GLN 11 Ca 0.09 -1.01 0.04 0.00 -2.50 0.00 0.00 55.36 51.99 1bwf s GLN 11 Cb -0.18 -4.23 -0.03 0.00 -1.64 0.00 0.00 33.01 26.92 1bwf s GLN 11 CO -0.14 -1.67 0.36 0.20 0.50 0.00 0.00 175.29 174.54 1bwf s GLY 12 N 3.58 1.32 0.51 2.59 0.00 -0.00 -1.06 107.32 114.26 1bwf s GLY 12 Ca 0.18 -1.17 0.37 0.00 0.00 0.00 0.00 44.72 44.10 1bwf s GLY 12 CO 0.09 -1.18 1.71 -0.84 0.00 0.00 0.00 173.10 172.88 1bwf h THR 13 N 1.24 0.26 0.00 0.90 2.02 -1.95 -2.86 112.91 112.53 1bwf h THR 13 Ca -0.51 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1bwf h THR 13 Cb 1.22 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1bwf h THR 13 CO 0.63 0.01 0.00 0.35 0.37 0.00 0.00 175.52 176.88 1bwf n THR 14 N -4.25 0.00 -3.62 3.16 -2.24 -1.26 -4.98 114.28 101.08 1bwf n THR 14 Ca 0.33 -0.45 -0.04 0.00 -2.27 0.00 0.00 64.05 61.62 1bwf n THR 14 Cb 1.45 1.09 -0.04 0.00 -2.10 0.00 0.00 70.33 70.72 1bwf n THR 14 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bwf s SER 15 N -0.17 -0.12 -0.02 3.42 1.04 -1.08 -2.69 113.70 114.08 1bwf s SER 15 Ca 0.00 0.13 -0.14 0.00 0.48 0.00 0.00 55.95 56.42 1bwf s SER 15 Cb 0.00 0.10 -0.05 0.00 0.10 0.00 0.00 66.02 66.17 1bwf s SER 15 CO 0.00 -0.12 0.37 -0.44 0.98 0.00 0.00 173.24 174.03 1bwf s SER 16 N -1.10 6.75 0.33 7.02 0.01 -0.04 -0.82 113.70 125.85 1bwf s SER 16 Ca 0.06 0.90 0.05 0.00 1.31 0.00 0.00 55.95 58.27 1bwf s SER 16 Cb -0.01 -2.23 -0.06 0.00 0.21 0.00 0.00 66.02 63.93 1bwf s SER 16 CO -0.05 0.33 0.03 -0.13 0.41 0.00 0.00 173.24 173.83 1bwf s ARG 17 N -1.03 1.67 -0.14 12.44 0.52 0.45 -2.20 118.95 130.66 1bwf s ARG 17 Ca 0.23 -1.92 -0.05 0.00 -0.52 0.00 0.00 55.73 53.47 1bwf s ARG 17 Cb -0.16 -1.03 0.07 0.00 0.52 0.00 0.00 34.95 34.35 1bwf s ARG 17 CO 0.12 -0.13 0.28 0.00 0.02 0.00 0.00 175.30 175.59 1bwf s ALA 18 N -3.16 -0.61 0.12 2.13 0.00 -0.81 -0.63 121.76 118.80 1bwf s ALA 18 Ca 0.35 0.99 0.10 0.00 0.00 0.00 0.00 51.96 53.40 1bwf s ALA 18 Cb 0.08 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 1bwf s ALA 18 CO 0.15 -0.64 -0.24 0.08 0.00 0.00 0.00 175.76 175.11 1bwf s VAL 19 N 2.40 2.03 -0.04 0.00 1.01 -0.40 -0.91 120.40 124.50 1bwf s VAL 19 Ca 0.01 -1.70 0.04 0.00 0.00 0.00 0.00 61.98 60.33 1bwf s VAL 19 Cb -0.12 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 1bwf s VAL 19 CO -0.09 0.00 -0.17 -0.69 0.00 0.00 0.00 175.10 174.16 1bwf s VAL 20 N -1.18 1.39 0.19 2.92 1.01 -0.64 -0.72 120.40 123.38 1bwf s VAL 20 Ca 0.11 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 1bwf s VAL 20 Cb -0.10 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 1bwf s VAL 20 CO 0.06 0.40 0.27 -0.04 0.00 0.00 0.00 175.10 175.79 1bwf s MET 21 N 0.04 1.24 0.27 2.72 1.00 -0.98 0.24 119.30 123.84 1bwf s MET 21 Ca -0.04 -1.33 0.04 0.00 0.00 0.00 0.00 55.69 54.37 1bwf s MET 21 Cb -0.11 0.36 0.04 0.00 0.00 0.00 0.00 34.83 35.12 1bwf s MET 21 CO 0.02 -0.45 0.36 -0.40 0.00 0.00 0.00 175.02 174.55 1bwf n ASP 22 N -0.26 1.07 0.29 3.03 5.68 -0.62 -2.53 116.55 123.22 1bwf n ASP 22 Ca -0.04 -1.74 0.16 0.00 -0.50 0.00 0.00 54.79 52.68 1bwf n ASP 22 Cb 0.63 -0.18 0.87 0.00 -1.14 0.00 0.00 41.12 41.30 1bwf n ASP 22 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 1bwf h HIS 23 N 0.09 0.00 -0.01 2.11 -0.00 -1.91 1.06 115.15 116.49 1bwf h HIS 23 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.24 1bwf h HIS 23 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.00 1bwf h HIS 23 CO 0.00 0.06 -0.17 -0.25 -0.00 0.00 0.00 177.93 177.56 1bwf n ASP 24 N -3.43 0.86 -0.98 3.26 8.00 -1.26 -4.88 116.55 118.12 1bwf n ASP 24 Ca -0.02 -0.84 -0.07 0.00 0.71 0.00 0.00 54.79 54.58 1bwf n ASP 24 Cb 0.19 0.04 0.01 0.00 -0.02 0.00 0.00 41.12 41.34 1bwf n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bwf n ALA 25 N -0.68 -0.26 -2.34 2.24 0.00 0.36 -4.91 120.51 114.93 1bwf n ALA 25 Ca 0.14 0.08 -0.41 0.00 0.00 0.00 0.00 53.44 53.25 1bwf n ALA 25 Cb 0.32 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.34 1bwf n ALA 25 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1bwf s ASN 26 N -2.87 7.39 -0.39 0.00 0.01 -1.23 -4.71 114.94 113.15 1bwf s ASN 26 Ca 0.07 1.66 -0.29 0.00 -0.71 0.00 0.00 52.86 53.59 1bwf s ASN 26 Cb -0.03 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 39.11 1bwf s ASN 26 CO 0.08 -0.05 1.13 -0.51 -1.51 0.00 0.00 177.10 176.24 1bwf s ILE 27 N 0.04 4.34 -0.08 0.60 1.10 -1.26 -1.59 121.20 124.35 1bwf s ILE 27 Ca 0.44 1.47 -0.17 0.00 -0.51 0.00 0.00 60.65 61.88 1bwf s ILE 27 Cb -0.22 -4.47 -0.29 0.00 0.15 0.00 0.00 42.46 37.63 1bwf s ILE 27 CO 0.27 -0.71 0.65 0.40 -2.11 0.00 0.00 174.94 173.44 1bwf h ILE 28 N 5.98 1.15 -2.03 2.00 5.03 0.28 -3.48 117.51 126.44 1bwf h ILE 28 Ca -0.22 -2.45 -0.06 0.00 -0.12 0.00 0.00 64.86 62.01 1bwf h ILE 28 Cb 1.06 2.84 -0.19 0.00 -3.03 0.00 0.00 36.82 37.50 1bwf h ILE 28 CO 1.08 0.71 0.19 -0.55 -0.68 0.00 0.00 178.15 178.90 1bwf s SER 29 N -7.05 -0.65 -0.14 1.72 0.15 -1.19 -4.96 113.70 101.58 1bwf s SER 29 Ca -0.18 0.70 -0.01 0.00 0.70 0.00 0.00 55.95 57.16 1bwf s SER 29 Cb 0.04 0.54 0.04 0.00 -1.71 0.00 0.00 66.02 64.92 1bwf s SER 29 CO 0.79 -0.62 -0.03 -0.69 1.20 0.00 0.00 173.24 173.89 1bwf s VAL 30 N -1.25 0.85 0.33 4.45 1.01 -1.26 -1.62 120.40 122.92 1bwf s VAL 30 Ca -0.11 -0.39 0.07 0.00 0.00 0.00 0.00 61.98 61.55 1bwf s VAL 30 Cb -0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 1bwf s VAL 30 CO 0.09 0.16 0.41 -0.55 0.00 0.00 0.00 175.10 175.21 1bwf s SER 31 N 1.75 5.75 -0.30 3.32 0.15 -0.09 -4.96 113.70 119.32 1bwf s SER 31 Ca 0.02 -0.29 -0.11 0.00 0.70 0.00 0.00 55.95 56.28 1bwf s SER 31 Cb -0.14 -1.16 0.19 0.00 -1.71 0.00 0.00 66.02 63.19 1bwf s SER 31 CO -0.07 -0.40 1.04 -1.58 1.20 0.00 0.00 173.24 173.43 1bwf s GLN 32 N -4.11 0.16 -0.14 5.44 0.74 -1.26 -1.93 119.66 118.56 1bwf s GLN 32 Ca 0.43 0.11 -0.07 0.00 0.05 0.00 0.00 55.36 55.89 1bwf s GLN 32 Cb -0.08 0.06 -0.04 0.00 1.10 0.00 0.00 33.01 34.05 1bwf s GLN 32 CO 0.29 -0.28 0.10 1.03 -0.55 0.00 0.00 175.29 175.88 1bwf s ARG 33 N 2.81 3.64 0.45 1.67 0.52 -0.94 -4.94 118.95 122.16 1bwf s ARG 33 Ca 0.26 -0.24 -0.21 0.00 -0.52 0.00 0.00 55.73 55.02 1bwf s ARG 33 Cb -0.01 -3.18 -0.09 0.00 0.52 0.00 0.00 34.95 32.18 1bwf s ARG 33 CO -0.22 0.56 1.00 -2.00 0.02 0.00 0.00 175.30 174.67 1bwf s GLU 34 N -0.42 4.03 0.31 3.54 -6.30 -1.26 -0.86 118.70 117.74 1bwf s GLU 34 Ca 0.11 1.30 0.06 0.00 -2.50 0.00 0.00 54.97 53.93 1bwf s GLU 34 Cb -0.12 -2.21 -0.06 0.00 0.00 0.00 0.00 34.13 31.74 1bwf s GLU 34 CO 0.02 -0.22 -0.01 -0.59 0.02 0.00 0.00 175.26 174.47 1bwf s PHE 35 N -1.99 2.03 0.11 5.30 -0.12 -1.09 -4.86 117.98 117.36 1bwf s PHE 35 Ca 0.63 -0.78 -0.30 0.00 -0.05 0.00 0.00 56.93 56.43 1bwf s PHE 35 Cb -0.15 -1.26 -0.06 0.00 -0.63 0.00 0.00 43.02 40.93 1bwf s PHE 35 CO 0.19 0.21 1.06 -2.00 -0.05 0.00 0.00 175.22 174.62 1bwf s GLU 36 N -3.78 4.59 0.03 1.99 2.12 -1.26 -4.67 118.70 117.72 1bwf s GLU 36 Ca 0.33 1.60 -0.19 0.00 0.36 0.00 0.00 54.97 57.07 1bwf s GLU 36 Cb 0.06 -3.35 -0.06 0.00 0.26 0.00 0.00 34.13 31.05 1bwf s GLU 36 CO 0.14 0.04 0.56 -0.65 -0.54 0.00 0.00 175.26 174.81 1bwf s GLN 37 N 0.18 4.22 -0.18 4.30 -1.52 -1.26 -4.48 119.66 120.92 1bwf s GLN 37 Ca 0.51 0.69 0.01 0.00 -1.95 0.00 0.00 55.36 54.61 1bwf s GLN 37 Cb -0.26 -3.28 0.02 0.00 -0.22 0.00 0.00 33.01 29.26 1bwf s GLN 37 CO 0.31 0.53 -0.19 0.42 -0.25 0.00 0.00 175.29 176.11 1bwf s ILE 38 N -0.70 2.14 -0.70 1.08 1.09 -0.30 -5.01 121.20 118.80 1bwf s ILE 38 Ca 0.29 -0.92 0.01 0.00 -1.10 0.00 0.00 60.65 58.92 1bwf s ILE 38 Cb -0.19 -1.91 0.17 0.00 -1.06 0.00 0.00 42.46 39.48 1bwf s ILE 38 CO 0.17 0.52 0.51 -0.31 -0.10 0.00 0.00 174.94 175.74 1bwf s TYR 39 N 1.30 3.53 0.29 3.97 2.02 -1.26 0.27 117.35 127.48 1bwf s TYR 39 Ca 0.05 -3.04 0.05 0.00 -0.37 0.00 0.00 57.07 53.75 1bwf s TYR 39 Cb -0.13 -3.02 0.75 0.00 -0.40 0.00 0.00 41.96 39.16 1bwf s TYR 39 CO -0.12 -0.72 1.70 -1.00 -1.57 0.00 0.00 175.55 173.83 1bwf h PRO 40 N 6.26 0.40 -2.79 -1.71 0.13 -1.94 -3.44 132.00 128.91 1bwf h PRO 40 Ca 0.06 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 65.25 1bwf h PRO 40 Cb 0.86 -0.09 -0.05 0.00 0.13 0.00 0.00 31.00 31.85 1bwf h PRO 40 CO 0.75 0.27 0.33 -1.59 -0.23 0.00 0.00 178.00 177.52 1bwf s LYS 41 N -5.87 1.68 -0.05 0.86 -2.85 -1.26 -5.07 119.74 107.18 1bwf s LYS 41 Ca -0.11 -0.97 -0.38 0.00 -1.00 0.00 0.00 55.97 53.51 1bwf s LYS 41 Cb 0.25 0.54 -0.16 0.00 -2.06 0.00 0.00 37.83 36.41 1bwf s LYS 41 CO 0.78 -0.77 1.53 -0.35 0.10 0.00 0.00 175.35 176.63 1bwf n PRO 42 N -0.49 1.24 0.00 1.78 -0.04 -1.26 -0.90 135.00 135.33 1bwf n PRO 42 Ca -0.05 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 1bwf n PRO 42 Cb 0.60 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 1bwf n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bwf n GLY 43 N 3.27 2.52 3.69 0.55 0.00 -1.26 -4.96 105.19 109.00 1bwf n GLY 43 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 1bwf n GLY 43 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1bwf s TRP 44 N -2.20 3.32 -0.02 1.61 0.52 -0.08 0.31 118.94 122.41 1bwf s TRP 44 Ca 0.00 0.19 0.00 0.00 0.02 0.00 0.00 56.10 56.32 1bwf s TRP 44 Cb 0.00 -2.05 0.03 0.00 -1.15 0.00 0.00 33.47 30.30 1bwf s TRP 44 CO 0.00 0.29 0.02 0.08 0.02 0.00 0.00 176.95 177.36 1bwf s VAL 45 N 0.07 -0.02 0.16 4.03 1.01 -1.25 -3.59 120.40 120.81 1bwf s VAL 45 Ca 0.06 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.23 1bwf s VAL 45 Cb -0.12 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 1bwf s VAL 45 CO 0.00 0.09 0.03 -1.61 0.00 0.00 0.00 175.10 173.62 1bwf s GLU 46 N 0.97 1.06 0.12 2.72 2.02 0.14 -2.20 118.70 123.54 1bwf s GLU 46 Ca -0.08 -1.51 0.05 0.00 0.02 0.00 0.00 54.97 53.44 1bwf s GLU 46 Cb -0.12 -0.05 -0.04 0.00 0.10 0.00 0.00 34.13 34.02 1bwf s GLU 46 CO -0.03 -0.20 -0.12 -1.01 0.02 0.00 0.00 175.26 173.92 1bwf s HIS 47 N -3.83 1.28 -0.46 1.61 3.76 -1.15 -1.15 115.29 115.36 1bwf s HIS 47 Ca 0.25 -0.63 -0.25 0.00 -0.15 0.00 0.00 55.06 54.29 1bwf s HIS 47 Cb 0.07 -0.67 0.03 0.00 1.11 0.00 0.00 32.58 33.11 1bwf s HIS 47 CO 0.04 0.10 0.88 0.34 -0.85 0.00 0.00 174.74 175.25 1bwf s ASP 48 N -2.64 6.48 0.55 1.40 -1.08 -1.26 -1.42 116.67 118.69 1bwf s ASP 48 Ca 0.10 0.06 0.33 0.00 -0.52 0.00 0.00 52.55 52.53 1bwf s ASP 48 Cb -0.02 -2.43 1.49 0.00 -1.46 0.00 0.00 42.92 40.50 1bwf s ASP 48 CO 0.02 -1.01 1.83 -0.65 0.52 0.00 0.00 175.17 175.88 1bwf h PRO 49 N 9.04 0.00 -0.02 4.34 0.11 -1.93 0.60 132.00 144.14 1bwf h PRO 49 Ca -0.24 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.69 1bwf h PRO 49 Cb 1.08 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.20 1bwf h PRO 49 CO 1.01 0.00 -0.69 0.52 -0.21 0.00 0.00 178.00 178.63 1bwf h MET 50 N 0.00 0.50 -0.18 1.05 2.86 -1.98 -2.46 114.93 114.73 1bwf h MET 50 Ca 0.46 -0.51 0.05 0.00 -2.06 0.00 0.00 59.70 57.64 1bwf h MET 50 Cb 1.92 0.14 -0.07 0.00 0.06 0.00 0.00 31.60 33.66 1bwf h MET 50 CO -0.00 1.15 -0.28 1.49 1.06 0.00 0.00 176.91 180.33 1bwf h GLU 51 N 0.06 -0.31 -0.75 1.72 4.81 -0.29 4.55 114.58 124.37 1bwf h GLU 51 Ca -0.08 0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.34 1bwf h GLU 51 Cb 1.37 0.07 -0.13 0.00 0.63 0.00 0.00 28.75 30.70 1bwf h GLU 51 CO 0.14 -0.21 0.05 0.82 -0.73 0.00 0.00 179.01 179.08 1bwf h ILE 52 N -0.32 0.37 0.41 2.32 2.04 -1.05 0.22 117.51 121.51 1bwf h ILE 52 Ca 0.11 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 1bwf h ILE 52 Cb 0.50 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1bwf h ILE 52 CO -0.36 0.02 -0.20 -0.25 0.00 0.00 0.00 178.15 177.36 1bwf h TRP 53 N 0.13 -0.51 -0.49 1.37 2.91 0.74 -2.41 115.95 117.69 1bwf h TRP 53 Ca 0.42 -0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.47 1bwf h TRP 53 Cb 0.74 0.17 -0.06 0.00 -0.51 0.00 0.00 29.16 29.50 1bwf h TRP 53 CO -0.38 -0.32 -0.32 0.00 -1.03 0.00 0.00 178.44 176.38 1bwf h ALA 54 N -1.51 -0.36 -0.67 2.65 0.00 0.89 -1.45 119.26 118.83 1bwf h ALA 54 Ca -0.06 0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1bwf h ALA 54 Cb 0.42 1.16 -0.10 0.00 0.00 0.00 0.00 17.79 19.27 1bwf h ALA 54 CO 0.09 -0.57 -0.54 1.79 0.00 0.00 0.00 179.25 180.02 1bwf h THR 55 N -0.04 0.01 -0.92 0.00 1.35 -0.65 -1.51 112.91 111.14 1bwf h THR 55 Ca 0.08 0.00 0.20 0.00 -0.55 0.00 0.00 66.41 66.14 1bwf h THR 55 Cb 0.25 0.01 -0.17 0.00 -1.73 0.00 0.00 68.15 66.51 1bwf h THR 55 CO -0.48 0.00 -0.16 -0.61 -0.25 0.00 0.00 175.52 174.02 1bwf h GLN 56 N -0.21 0.01 -0.39 4.72 5.75 -0.74 0.13 115.11 124.39 1bwf h GLN 56 Ca 0.13 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.62 1bwf h GLN 56 Cb 0.53 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.06 1bwf h GLN 56 CO -0.75 0.01 0.21 0.66 -2.65 0.00 0.00 178.83 176.31 1bwf h SER 57 N 0.01 0.49 -0.27 -0.69 4.64 -0.89 -1.23 113.55 115.61 1bwf h SER 57 Ca 0.47 -0.09 0.03 0.00 -0.47 0.00 0.00 61.79 61.73 1bwf h SER 57 Cb 0.80 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 62.72 1bwf h SER 57 CO -0.92 0.44 -0.29 -0.50 -0.87 0.00 0.00 176.83 174.69 1bwf h TRP 58 N 0.49 -0.89 -0.91 4.77 -0.00 -0.32 0.21 115.95 119.30 1bwf h TRP 58 Ca 0.14 0.05 0.10 0.00 -0.00 0.00 0.00 58.89 59.18 1bwf h TRP 58 Cb 0.07 0.42 -0.12 0.00 -0.00 0.00 0.00 29.16 29.52 1bwf h TRP 58 CO -0.02 -0.24 -0.47 2.41 -0.00 0.00 0.00 178.44 180.12 1bwf n THR 59 N -4.08 -0.57 0.00 1.49 -1.04 -0.48 0.26 114.28 109.86 1bwf n THR 59 Ca -0.01 2.18 0.00 0.00 -2.04 0.00 0.00 64.05 64.18 1bwf n THR 59 Cb 0.16 -2.76 0.00 0.00 -1.82 0.00 0.00 70.33 65.91 1bwf n THR 59 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1bwf n LEU 60 N -5.22 0.00 -0.32 -4.42 7.94 -0.06 -1.87 117.00 113.05 1bwf n LEU 60 Ca 0.05 0.27 -0.09 0.00 -1.11 0.00 0.00 56.01 55.12 1bwf n LEU 60 Cb 0.29 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.15 1bwf n LEU 60 CO -0.14 0.00 0.49 0.58 -1.11 0.00 0.00 177.39 177.21 1bwf h VAL 61 N 0.00 0.00 -0.86 1.96 2.07 -0.91 -0.68 116.25 117.83 1bwf h VAL 61 Ca 0.00 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.85 1bwf h VAL 61 Cb 0.00 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.64 1bwf h VAL 61 CO 0.00 0.00 0.50 1.21 0.02 0.00 0.00 177.57 179.30 1bwf n GLU 62 N -4.87 -0.04 0.00 1.57 4.07 0.73 -1.37 120.64 120.72 1bwf n GLU 62 Ca 0.01 1.01 0.00 0.00 -0.06 0.00 0.00 57.16 58.12 1bwf n GLU 62 Cb 0.22 -1.88 0.00 0.00 -0.06 0.00 0.00 31.44 29.72 1bwf n GLU 62 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1bwf n VAL 63 N -4.53 0.00 -0.24 6.31 0.31 -0.26 -2.82 118.33 117.10 1bwf n VAL 63 Ca 0.29 0.80 0.07 0.00 -0.01 0.00 0.00 64.34 65.49 1bwf n VAL 63 Cb 1.05 -1.69 0.14 0.00 -0.91 0.00 0.00 33.84 32.43 1bwf n VAL 63 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1bwf n LEU 64 N -0.40 -0.17 0.04 7.52 4.32 -0.71 0.29 117.00 127.88 1bwf n LEU 64 Ca 0.00 1.15 -0.12 0.00 -0.02 0.00 0.00 56.01 57.01 1bwf n LEU 64 Cb 0.00 -0.38 -0.06 0.00 -1.62 0.00 0.00 43.42 41.36 1bwf n LEU 64 CO 0.00 -1.13 0.60 0.00 -1.22 0.00 0.00 177.39 175.64 1bwf h ALA 65 N 1.34 -0.58 0.00 -1.18 0.00 -1.35 -0.25 119.26 117.24 1bwf h ALA 65 Ca 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1bwf h ALA 65 Cb 0.64 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1bwf h ALA 65 CO -0.66 -0.91 0.00 0.36 0.00 0.00 0.00 179.25 178.04 1bwf n LYS 66 N -5.44 0.63 0.00 0.00 2.85 0.83 -2.06 118.16 114.97 1bwf n LYS 66 Ca -0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 1bwf n LYS 66 Cb 0.36 -1.27 0.00 0.00 -0.65 0.00 0.00 35.03 33.46 1bwf n LYS 66 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1bwf n ALA 67 N 0.35 0.00 -3.46 0.58 0.00 -0.36 -4.99 120.51 112.63 1bwf n ALA 67 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1bwf n ALA 67 Cb 0.21 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.73 1bwf n ALA 67 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bwf n ASP 68 N 0.00 -6.28 -4.89 0.00 8.00 -0.25 -5.01 116.55 108.12 1bwf n ASP 68 Ca 0.00 -0.48 -0.35 0.00 0.71 0.00 0.00 54.79 54.67 1bwf n ASP 68 Cb 0.07 -4.95 -0.05 0.00 -0.02 0.00 0.00 41.12 36.17 1bwf n ASP 68 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1bwf s ILE 69 N -3.29 5.37 0.24 0.53 -1.09 -0.99 -5.06 121.20 116.91 1bwf s ILE 69 Ca 0.52 0.10 0.10 0.00 -2.23 0.00 0.00 60.65 59.14 1bwf s ILE 69 Cb -0.23 -3.54 -0.05 0.00 -1.58 0.00 0.00 42.46 37.07 1bwf s ILE 69 CO 0.65 0.40 -0.17 -0.44 -1.23 0.00 0.00 174.94 174.15 1bwf s SER 70 N -1.64 3.09 0.39 3.58 0.01 -1.26 -4.52 113.70 113.34 1bwf s SER 70 Ca 0.25 -1.03 0.33 0.00 1.31 0.00 0.00 55.95 56.82 1bwf s SER 70 Cb -0.13 -0.22 1.24 0.00 0.21 0.00 0.00 66.02 67.12 1bwf s SER 70 CO 0.15 -0.07 1.17 -1.20 0.41 0.00 0.00 173.24 173.70 1bwf n SER 71 N -0.50 0.06 0.16 2.44 7.64 -1.26 -0.04 113.62 122.11 1bwf n SER 71 Ca -0.06 0.85 0.03 0.00 1.01 0.00 0.00 58.87 60.69 1bwf n SER 71 Cb 0.60 -0.42 0.18 0.00 -1.01 0.00 0.00 64.21 63.56 1bwf n SER 71 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 1bwf h ASP 72 N 0.00 0.00 -0.47 6.43 2.03 -1.95 -3.28 116.42 119.18 1bwf h ASP 72 Ca 0.69 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.99 1bwf h ASP 72 Cb 2.59 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 41.09 1bwf h ASP 72 CO -0.13 0.49 0.00 0.00 -1.03 0.00 0.00 179.24 178.57 1bwf n GLN 73 N -3.42 2.41 -4.40 4.15 0.00 0.95 -3.80 117.38 113.27 1bwf n GLN 73 Ca 0.01 -2.16 -0.34 0.00 0.00 0.00 0.00 57.00 54.51 1bwf n GLN 73 Cb 0.63 -1.50 -0.13 0.00 0.00 0.00 0.00 30.24 29.24 1bwf n GLN 73 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 1bwf s ILE 74 N -1.39 3.48 0.00 -0.39 -5.25 -1.24 0.34 121.20 116.75 1bwf s ILE 74 Ca 0.40 -0.49 0.00 0.00 -0.99 0.00 0.00 60.65 59.56 1bwf s ILE 74 Cb 0.22 -2.52 0.00 0.00 2.95 0.00 0.00 42.46 43.11 1bwf s ILE 74 CO 0.30 0.48 0.26 0.00 -1.79 0.00 0.00 174.94 174.20 1bwf n ALA 75 N 3.86 0.00 -3.79 2.27 0.00 1.39 -4.85 120.51 119.39 1bwf n ALA 75 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1bwf n ALA 75 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1bwf n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bwf n ALA 76 N -1.63 0.00 -3.70 0.00 0.00 -1.25 -4.17 120.51 109.77 1bwf n ALA 76 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1bwf n ALA 76 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 1bwf n ALA 76 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bwf s ILE 77 N -0.60 0.54 0.59 0.00 1.01 -0.67 -0.96 121.20 121.13 1bwf s ILE 77 Ca 0.00 -0.92 -0.09 0.00 0.00 0.00 0.00 60.65 59.64 1bwf s ILE 77 Cb 0.00 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 1bwf s ILE 77 CO 0.00 -0.49 0.95 -0.83 0.00 0.00 0.00 174.94 174.57 1bwf s GLY 78 N 1.81 1.60 -0.05 6.18 0.00 0.12 -2.92 107.32 114.06 1bwf s GLY 78 Ca 0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 44.72 44.38 1bwf s GLY 78 CO -0.20 -0.10 0.12 -0.42 0.00 0.00 0.00 173.10 172.50 1bwf s ILE 79 N -3.06 -0.02 0.03 0.90 1.01 0.20 -2.32 121.20 117.93 1bwf s ILE 79 Ca 0.53 0.08 0.00 0.00 0.00 0.00 0.00 60.65 61.26 1bwf s ILE 79 Cb -0.11 -0.19 -0.02 0.00 0.01 0.00 0.00 42.46 42.15 1bwf s ILE 79 CO 0.49 0.03 -0.04 0.42 0.00 0.00 0.00 174.94 175.85 1bwf s THR 80 N 0.52 0.20 0.30 2.92 -4.23 -0.08 -2.78 115.64 112.49 1bwf s THR 80 Ca -0.04 -0.96 -0.08 0.00 -1.18 0.00 0.00 61.69 59.43 1bwf s THR 80 Cb -0.05 -0.36 0.03 0.00 1.34 0.00 0.00 72.50 73.46 1bwf s THR 80 CO -0.02 -0.49 0.54 -0.46 -0.54 0.00 0.00 174.62 173.65 1bwf n ASN 81 N 1.54 -1.56 -4.76 3.99 2.04 -1.25 -0.80 115.26 114.46 1bwf n ASN 81 Ca -0.24 -2.35 -0.40 0.00 -0.44 0.00 0.00 54.58 51.16 1bwf n ASN 81 Cb 0.55 2.68 -0.05 0.00 -2.53 0.00 0.00 39.78 40.42 1bwf n ASN 81 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1bwf s GLN 82 N -2.27 4.75 0.14 -3.83 -2.07 -0.23 -0.83 119.66 115.32 1bwf s GLN 82 Ca 0.16 1.59 0.17 0.00 -1.82 0.00 0.00 55.36 55.46 1bwf s GLN 82 Cb -0.03 -3.21 -0.06 0.00 -1.09 0.00 0.00 33.01 28.62 1bwf s GLN 82 CO 0.12 0.38 1.02 0.00 -1.32 0.00 0.00 175.29 175.49 1bwf h ARG 83 N 3.94 0.00 0.00 9.60 3.08 -1.98 -3.41 114.38 125.60 1bwf h ARG 83 Ca -0.46 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.54 1bwf h ARG 83 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 1bwf h ARG 83 CO 0.67 0.31 -1.56 0.39 -1.07 0.00 0.00 179.97 178.71 1bwf n GLU 84 N -2.96 0.84 -1.13 0.04 4.71 -1.26 -4.89 120.64 115.99 1bwf n GLU 84 Ca -0.05 -0.08 -0.44 0.00 -0.01 0.00 0.00 57.16 56.58 1bwf n GLU 84 Cb 0.78 -1.27 -0.06 0.00 -1.01 0.00 0.00 31.44 29.88 1bwf n GLU 84 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1bwf n THR 85 N -2.02 0.00 -4.51 2.62 -1.04 -1.26 -4.24 114.28 103.84 1bwf n THR 85 Ca -0.06 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.61 1bwf n THR 85 Cb 0.43 -0.13 -0.12 0.00 -1.82 0.00 0.00 70.33 68.69 1bwf n THR 85 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1bwf s THR 86 N 0.77 3.78 0.12 12.58 2.01 -0.99 -4.02 115.64 129.90 1bwf s THR 86 Ca 0.68 -0.42 0.07 0.00 0.31 0.00 0.00 61.69 62.34 1bwf s THR 86 Cb -0.96 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 1bwf s THR 86 CO 0.47 0.54 -0.18 -0.63 -0.69 0.00 0.00 174.62 174.13 1bwf s ILE 87 N -0.10 1.58 -0.23 1.82 1.09 0.16 -2.49 121.20 123.03 1bwf s ILE 87 Ca 0.01 -1.67 -0.04 0.00 -1.10 0.00 0.00 60.65 57.86 1bwf s ILE 87 Cb -0.13 -1.58 0.12 0.00 -1.06 0.00 0.00 42.46 39.81 1bwf s ILE 87 CO 0.03 -0.24 0.39 -0.69 -0.10 0.00 0.00 174.94 174.32 1bwf s VAL 88 N -1.68 -0.61 0.10 2.92 1.01 -1.25 -0.50 120.40 120.39 1bwf s VAL 88 Ca 0.09 -0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.11 1bwf s VAL 88 Cb -0.07 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 1bwf s VAL 88 CO 0.04 -0.07 -0.13 -1.66 0.00 0.00 0.00 175.10 173.29 1bwf s TRP 89 N 2.56 1.23 -0.26 5.22 -2.14 0.71 0.22 118.94 126.48 1bwf s TRP 89 Ca 0.09 -0.57 -0.31 0.00 2.66 0.00 0.00 56.10 57.97 1bwf s TRP 89 Cb -0.15 -0.66 -0.08 0.00 -3.10 0.00 0.00 33.47 29.49 1bwf s TRP 89 CO -0.15 0.07 2.20 0.39 -2.66 0.00 0.00 176.95 176.80 1bwf n GLU 90 N 0.72 1.62 0.08 3.25 1.02 1.41 0.05 120.64 128.79 1bwf n GLU 90 Ca -0.17 0.45 -0.06 0.00 -0.02 0.00 0.00 57.16 57.35 1bwf n GLU 90 Cb 0.57 -2.91 0.09 0.00 -0.02 0.00 0.00 31.44 29.17 1bwf n GLU 90 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1bwf h LYS 91 N 13.80 0.27 0.39 3.49 3.11 -1.81 2.76 116.57 138.58 1bwf h LYS 91 Ca -0.36 -0.20 -0.02 0.00 -2.81 0.00 0.00 60.65 57.26 1bwf h LYS 91 Cb 1.27 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.54 1bwf h LYS 91 CO 0.98 0.83 -0.19 0.93 -2.81 0.00 0.00 179.45 179.19 1bwf h GLU 92 N 0.20 -0.51 -0.83 1.90 3.07 -1.91 -3.14 114.58 113.36 1bwf h GLU 92 Ca -0.01 0.03 0.13 0.00 -0.50 0.00 0.00 59.36 59.01 1bwf h GLU 92 Cb 1.17 0.12 -0.06 0.00 -0.84 0.00 0.00 28.75 29.14 1bwf h GLU 92 CO 0.10 -0.22 0.54 1.79 -1.40 0.00 0.00 179.01 179.82 1bwf h THR 93 N -1.03 0.86 -1.88 1.13 1.35 -1.95 -3.46 112.91 107.92 1bwf h THR 93 Ca -0.05 -0.22 -0.14 0.00 -0.55 0.00 0.00 66.41 65.45 1bwf h THR 93 Cb 0.52 0.16 0.02 0.00 -1.73 0.00 0.00 68.15 67.12 1bwf h THR 93 CO 0.09 0.12 -0.20 0.61 -0.25 0.00 0.00 175.52 175.88 1bwf n GLY 94 N -1.46 0.29 3.11 5.82 0.00 0.89 -5.03 105.19 108.81 1bwf n GLY 94 Ca 0.15 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 1bwf n GLY 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bwf s LYS 95 N -4.95 0.85 0.36 1.61 2.20 0.91 -4.88 119.74 115.85 1bwf s LYS 95 Ca 0.11 -0.67 -0.27 0.00 -0.36 0.00 0.00 55.97 54.77 1bwf s LYS 95 Cb -0.05 -0.83 -0.09 0.00 -1.51 0.00 0.00 37.83 35.35 1bwf s LYS 95 CO 0.13 0.21 1.24 -1.25 -0.36 0.00 0.00 175.35 175.32 1bwf s PRO 96 N -1.00 4.22 -0.07 4.03 0.04 -1.26 0.42 135.00 141.37 1bwf s PRO 96 Ca 0.01 2.04 0.18 0.00 0.04 0.00 0.00 61.00 63.26 1bwf s PRO 96 Cb -0.07 -2.90 0.60 0.00 0.04 0.00 0.00 34.50 32.17 1bwf s PRO 96 CO 0.01 -0.24 1.51 0.44 0.04 0.00 0.00 177.00 178.76 1bwf n ILE 97 N 0.49 1.53 0.00 0.56 -5.35 0.13 -4.77 119.36 111.96 1bwf n ILE 97 Ca 0.02 -1.18 0.00 0.00 -0.27 0.00 0.00 62.75 61.31 1bwf n ILE 97 Cb 0.44 0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.59 1bwf n ILE 97 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1bwf n TYR 98 N 0.95 0.00 -1.17 4.28 4.19 -1.26 -5.01 117.16 119.14 1bwf n TYR 98 Ca 0.22 0.00 -0.37 0.00 3.31 0.00 0.00 57.90 61.06 1bwf n TYR 98 Cb 0.74 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.57 1bwf n TYR 98 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1bwf n ASN 99 N 0.00 -3.07 -4.77 2.98 3.02 -1.26 -4.60 115.26 107.56 1bwf n ASN 99 Ca 0.00 0.67 -0.33 0.00 -0.03 0.00 0.00 54.58 54.88 1bwf n ASN 99 Cb 0.00 -0.80 0.04 0.00 -0.61 0.00 0.00 39.78 38.41 1bwf n ASN 99 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bwf s ALA 100 N -1.72 2.52 -0.29 5.41 0.00 -0.51 -4.84 121.76 122.34 1bwf s ALA 100 Ca 0.53 0.59 0.03 0.00 0.00 0.00 0.00 51.96 53.12 1bwf s ALA 100 Cb -0.51 -3.32 0.08 0.00 0.00 0.00 0.00 23.12 19.36 1bwf s ALA 100 CO 0.60 -1.16 -0.05 0.42 0.00 0.00 0.00 175.76 175.57 1bwf s ILE 101 N -2.23 2.19 0.51 0.00 1.01 -1.04 -2.95 121.20 118.69 1bwf s ILE 101 Ca 0.68 -1.91 -0.22 0.00 0.00 0.00 0.00 60.65 59.20 1bwf s ILE 101 Cb -0.21 -2.43 -0.07 0.00 0.01 0.00 0.00 42.46 39.76 1bwf s ILE 101 CO 0.39 -0.25 1.20 0.52 0.00 0.00 0.00 174.94 176.79 1bwf n VAL 102 N 4.37 3.25 -0.43 2.92 0.31 -0.94 -2.36 118.33 125.46 1bwf n VAL 102 Ca -0.07 -0.50 0.35 0.00 -0.01 0.00 0.00 64.34 64.11 1bwf n VAL 102 Cb 0.42 -1.45 0.64 0.00 -0.91 0.00 0.00 33.84 32.54 1bwf n VAL 102 CO 0.00 0.00 0.00 4.11 -1.32 0.00 0.00 176.83 179.62 1bwf h TRP 103 N 1.42 0.50 -0.67 3.52 5.08 -1.83 0.26 115.95 124.23 1bwf h TRP 103 Ca -0.49 0.02 0.12 0.00 1.08 0.00 0.00 58.89 59.62 1bwf h TRP 103 Cb 1.32 -0.13 -0.09 0.00 -3.00 0.00 0.00 29.16 27.27 1bwf h TRP 103 CO 0.44 -0.14 0.23 0.37 -1.28 0.00 0.00 178.44 178.06 1bwf h GLN 104 N 0.13 0.37 -6.65 0.12 4.15 -1.89 -3.40 115.11 107.94 1bwf h GLN 104 Ca 0.77 -0.02 -0.58 0.00 0.77 0.00 0.00 58.65 59.60 1bwf h GLN 104 Cb 2.43 -0.08 0.09 0.00 0.21 0.00 0.00 27.48 30.13 1bwf h GLN 104 CO -0.36 0.25 0.57 0.00 -1.93 0.00 0.00 178.83 177.35 1bwf n ARG 106 N 1.43 2.61 0.27 0.00 1.74 0.92 -4.65 116.66 118.97 1bwf n ARG 106 Ca 0.09 -2.71 0.10 0.00 -0.77 0.00 0.00 57.85 54.55 1bwf n ARG 106 Cb 0.33 -1.73 0.72 0.00 -1.02 0.00 0.00 32.46 30.76 1bwf n ARG 106 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1bwf h ARG 107 N 1.44 0.00 -1.61 5.56 0.11 -1.93 -3.14 114.38 114.82 1bwf h ARG 107 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1bwf h ARG 107 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 1bwf h ARG 107 CO 0.16 0.00 0.00 0.25 0.10 0.00 0.00 179.97 180.49 1bwf n THR 108 N -4.34 1.00 0.02 0.08 -2.24 -1.26 -4.33 114.28 103.22 1bwf n THR 108 Ca -0.03 -0.15 -0.09 0.00 -2.27 0.00 0.00 64.05 61.50 1bwf n THR 108 Cb 0.09 -1.07 -0.07 0.00 -2.10 0.00 0.00 70.33 67.18 1bwf n THR 108 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bwf h ALA 109 N 1.96 -0.16 -1.56 6.98 0.00 -1.94 -3.12 119.26 121.42 1bwf h ALA 109 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1bwf h ALA 109 Cb 0.70 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1bwf h ALA 109 CO 0.00 -0.21 0.00 -1.91 0.00 0.00 0.00 179.25 177.13 1bwf n GLU 110 N -4.86 0.00 -0.01 0.00 4.07 -1.26 -2.46 120.64 116.12 1bwf n GLU 110 Ca -0.07 0.66 -0.00 0.00 -0.06 0.00 0.00 57.16 57.69 1bwf n GLU 110 Cb 0.25 -1.24 -0.00 0.00 -0.06 0.00 0.00 31.44 30.39 1bwf n GLU 110 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1bwf n ILE 111 N -1.85 -0.02 -0.29 6.31 5.41 -1.26 0.45 119.36 128.11 1bwf n ILE 111 Ca 0.00 0.30 0.06 0.00 1.00 0.00 0.00 62.75 64.11 1bwf n ILE 111 Cb 0.00 -0.39 0.13 0.00 -0.71 0.00 0.00 39.64 38.67 1bwf n ILE 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1bwf h GLU 113 N 0.00 -0.31 0.00 0.00 4.39 0.18 0.12 114.58 118.96 1bwf h GLU 113 Ca 0.40 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.12 1bwf h GLU 113 Cb 0.65 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1bwf h GLU 113 CO -0.82 -0.21 0.00 0.72 -1.16 0.00 0.00 179.01 177.54 1bwf n HIS 114 N -5.33 0.00 -0.26 4.33 8.25 0.21 0.73 115.22 123.16 1bwf n HIS 114 Ca -0.05 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.57 1bwf n HIS 114 Cb 0.24 -0.25 0.31 0.00 1.12 0.00 0.00 29.99 31.41 1bwf n HIS 114 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1bwf n LEU 115 N -1.99 0.03 0.06 2.41 4.32 -1.06 0.38 117.00 121.15 1bwf n LEU 115 Ca 0.00 1.32 -0.15 0.00 -0.02 0.00 0.00 56.01 57.16 1bwf n LEU 115 Cb 0.00 -0.54 -0.09 0.00 -1.62 0.00 0.00 43.42 41.17 1bwf n LEU 115 CO 0.00 -1.38 0.51 0.11 -1.22 0.00 0.00 177.39 175.41 1bwf h LYS 116 N 0.00 -0.61 0.00 3.23 1.79 0.30 -2.73 116.57 118.55 1bwf h LYS 116 Ca 0.54 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 59.05 1bwf h LYS 116 Cb 1.25 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 32.04 1bwf h LYS 116 CO -0.69 -0.41 0.00 0.54 -1.08 0.00 0.00 179.45 177.81 1bwf n ARG 117 N -5.26 0.00 0.00 3.15 3.00 1.22 -2.03 116.66 116.74 1bwf n ARG 117 Ca -0.07 0.92 0.00 0.00 -0.01 0.00 0.00 57.85 58.69 1bwf n ARG 117 Cb 0.37 -1.40 0.00 0.00 0.00 0.00 0.00 32.46 31.43 1bwf n ARG 117 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1bwf n ASP 118 N -2.79 0.00 -2.16 0.55 8.00 -1.00 -4.77 116.55 114.38 1bwf n ASP 118 Ca 0.00 0.07 -0.08 0.00 0.71 0.00 0.00 54.79 55.49 1bwf n ASP 118 Cb 0.00 -0.07 0.04 0.00 -0.02 0.00 0.00 41.12 41.07 1bwf n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bwf n GLY 119 N -0.88 0.05 0.00 0.44 0.00 -0.86 -4.99 105.19 98.95 1bwf n GLY 119 Ca 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.97 1bwf n GLY 119 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bwf n LEU 120 N -2.40 0.50 -0.12 0.99 4.77 -1.24 -4.62 117.00 114.88 1bwf n LEU 120 Ca -0.11 -0.33 -0.03 0.00 -0.03 0.00 0.00 56.01 55.51 1bwf n LEU 120 Cb 0.57 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 1bwf n LEU 120 CO 0.28 0.13 0.28 1.21 -1.33 0.00 0.00 177.39 177.95 1bwf n GLU 121 N -1.63 -0.13 0.03 3.23 4.07 -1.26 0.42 120.64 125.36 1bwf n GLU 121 Ca 0.01 0.72 0.12 0.00 -0.06 0.00 0.00 57.16 57.95 1bwf n GLU 121 Cb 0.32 -1.07 0.57 0.00 -0.06 0.00 0.00 31.44 31.19 1bwf n GLU 121 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1bwf h ASP 122 N 0.00 0.21 -0.28 4.31 3.32 -1.98 0.39 116.42 122.39 1bwf h ASP 122 Ca 0.05 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 1bwf h ASP 122 Cb 0.12 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1bwf h ASP 122 CO -0.28 0.14 -0.14 0.22 -1.72 0.00 0.00 179.24 177.46 1bwf h TYR 123 N 0.24 0.68 0.67 4.55 3.20 -0.34 0.05 116.97 126.01 1bwf h TYR 123 Ca 0.19 -0.17 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1bwf h TYR 123 Cb 0.44 -0.16 0.01 0.00 1.54 0.00 0.00 36.73 38.56 1bwf h TYR 123 CO -0.00 0.83 -0.32 0.82 -1.64 0.00 0.00 178.16 177.85 1bwf h ILE 124 N 0.33 0.29 -0.89 1.81 1.08 0.41 0.70 117.51 121.24 1bwf h ILE 124 Ca 0.06 -0.15 0.14 0.00 -0.39 0.00 0.00 64.86 64.52 1bwf h ILE 124 Cb 0.65 0.34 -0.07 0.00 -3.07 0.00 0.00 36.82 34.67 1bwf h ILE 124 CO 0.04 0.02 0.58 0.03 -0.69 0.00 0.00 178.15 178.13 1bwf h ARG 125 N -1.01 0.71 -0.01 2.37 3.08 -0.36 0.16 114.38 119.32 1bwf h ARG 125 Ca -0.09 -0.04 -0.17 0.00 0.07 0.00 0.00 59.98 59.75 1bwf h ARG 125 Cb 0.71 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 30.62 1bwf h ARG 125 CO 0.15 0.47 -0.66 0.77 -1.07 0.00 0.00 179.97 179.63 1bwf h SER 126 N 0.73 0.59 0.00 7.04 0.02 -0.48 -2.99 113.55 118.45 1bwf h SER 126 Ca 0.45 -0.75 -0.26 0.00 -0.84 0.00 0.00 61.79 60.39 1bwf h SER 126 Cb 0.67 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.98 1bwf h SER 126 CO -0.21 1.26 -2.25 0.59 -1.14 0.00 0.00 176.83 175.09 1bwf n ASN 127 N -4.17 0.12 -0.01 3.07 4.13 0.24 -4.52 115.26 114.13 1bwf n ASN 127 Ca -0.10 0.00 0.10 0.00 1.68 0.00 0.00 54.58 56.26 1bwf n ASN 127 Cb 0.70 1.28 -0.15 0.00 -1.54 0.00 0.00 39.78 40.06 1bwf n ASN 127 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1bwf n THR 128 N -2.59 0.00 -1.00 3.41 -2.24 -0.02 -1.59 114.28 110.24 1bwf n THR 128 Ca -0.24 -0.41 -0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1bwf n THR 128 Cb 0.97 0.15 -0.00 0.00 -2.10 0.00 0.00 70.33 69.35 1bwf n THR 128 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bwf n GLY 129 N 1.36 0.47 0.00 3.38 0.00 -0.79 -4.84 105.19 104.77 1bwf n GLY 129 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1bwf n GLY 129 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bwf n LEU 130 N -0.02 0.00 -3.51 0.99 4.77 -1.18 -0.86 117.00 117.20 1bwf n LEU 130 Ca -0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1bwf n LEU 130 Cb 0.04 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1bwf n LEU 130 CO 0.00 0.00 0.69 -0.69 -1.33 0.00 0.00 177.39 176.06 1bwf s VAL 131 N 3.13 0.00 0.06 4.08 1.01 -1.26 -3.89 120.40 123.53 1bwf s VAL 131 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 1bwf s VAL 131 Cb 0.00 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 1bwf s VAL 131 CO 0.00 0.00 1.09 -0.63 0.00 0.00 0.00 175.10 175.56 1bwf s ILE 132 N -3.13 4.37 -0.28 2.22 1.01 -1.26 -4.96 121.20 119.17 1bwf s ILE 132 Ca 0.05 1.75 -0.31 0.00 0.00 0.00 0.00 60.65 62.15 1bwf s ILE 132 Cb -0.01 -4.12 0.18 0.00 0.01 0.00 0.00 42.46 38.52 1bwf s ILE 132 CO -0.09 0.17 1.34 -0.62 0.00 0.00 0.00 174.94 175.74 1bwf s ASP 133 N 0.82 -0.05 0.00 3.58 -1.08 -1.26 -4.97 116.67 113.71 1bwf s ASP 133 Ca 0.54 0.05 0.13 0.00 -0.52 0.00 0.00 52.55 52.75 1bwf s ASP 133 Cb -0.26 0.04 0.62 0.00 -1.46 0.00 0.00 42.92 41.87 1bwf s ASP 133 CO 0.29 -0.05 1.35 -2.65 0.52 0.00 0.00 175.17 174.63 1bwf n PRO 134 N 0.43 0.13 0.20 4.34 -0.02 -1.26 -3.07 135.00 135.76 1bwf n PRO 134 Ca 0.00 0.20 -0.13 0.00 -2.02 0.00 0.00 63.50 61.55 1bwf n PRO 134 Cb 0.58 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.49 1bwf n PRO 134 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1bwf h TYR 135 N 0.00 -1.02 -4.08 6.00 3.20 -1.83 -3.43 116.97 115.81 1bwf h TYR 135 Ca 0.00 0.01 -0.46 0.00 3.14 0.00 0.00 58.73 61.42 1bwf h TYR 135 Cb 0.15 0.40 0.01 0.00 1.54 0.00 0.00 36.73 38.83 1bwf h TYR 135 CO 0.00 -0.48 0.37 -0.06 -1.64 0.00 0.00 178.16 176.34 1bwf s PHE 136 N -5.03 3.14 0.51 -3.82 0.08 -1.17 -4.63 117.98 107.06 1bwf s PHE 136 Ca -0.13 1.58 0.18 0.00 0.12 0.00 0.00 56.93 58.69 1bwf s PHE 136 Cb 0.03 -2.96 1.32 0.00 -0.57 0.00 0.00 43.02 40.84 1bwf s PHE 136 CO 0.43 -0.54 2.14 0.66 -0.10 0.00 0.00 175.22 177.80 1bwf h SER 137 N 1.59 0.00 0.00 1.36 4.64 -1.73 -3.33 113.55 116.09 1bwf h SER 137 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1bwf h SER 137 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1bwf h SER 137 CO 0.60 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 177.21 1bwf n GLY 138 N -1.37 -1.54 0.30 -0.77 0.00 0.24 0.17 105.19 102.22 1bwf n GLY 138 Ca -0.03 0.31 0.10 0.00 0.00 0.00 0.00 46.02 46.40 1bwf n GLY 138 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1bwf h THR 139 N 0.00 0.28 0.00 2.61 1.35 -1.85 -1.86 112.91 113.45 1bwf h THR 139 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1bwf h THR 139 Cb 0.00 0.13 0.00 0.00 -1.73 0.00 0.00 68.15 66.55 1bwf h THR 139 CO 0.00 0.03 0.00 0.29 -0.25 0.00 0.00 175.52 175.59 1bwf n LYS 140 N -5.31 0.00 -0.41 4.72 5.02 0.44 0.05 118.16 122.67 1bwf n LYS 140 Ca 0.18 0.91 -0.11 0.00 -2.02 0.00 0.00 58.31 57.27 1bwf n LYS 140 Cb 0.61 -1.40 -0.10 0.00 -0.02 0.00 0.00 35.03 34.12 1bwf n LYS 140 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1bwf h VAL 141 N 0.00 0.00 0.00 -0.18 2.07 -0.41 0.70 116.25 118.43 1bwf h VAL 141 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1bwf h VAL 141 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1bwf h VAL 141 CO 0.00 0.00 0.00 1.17 0.02 0.00 0.00 177.57 178.76 1bwf n LYS 142 N -5.26 0.00 -0.11 1.57 4.81 -0.74 0.47 118.16 118.91 1bwf n LYS 142 Ca 0.02 0.84 -0.02 0.00 -0.87 0.00 0.00 58.31 58.28 1bwf n LYS 142 Cb 0.27 -1.40 -0.01 0.00 0.02 0.00 0.00 35.03 33.91 1bwf n LYS 142 CO 0.00 0.00 0.00 1.87 1.17 0.00 0.00 177.40 180.44 1bwf n TRP 143 N -2.48 -0.06 0.23 5.64 -0.00 0.11 0.17 117.44 121.04 1bwf n TRP 143 Ca 0.00 0.35 -0.12 0.00 -0.00 0.00 0.00 57.50 57.72 1bwf n TRP 143 Cb 0.00 -0.56 -0.06 0.00 -0.00 0.00 0.00 31.31 30.69 1bwf n TRP 143 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 1bwf h ILE 144 N 0.00 0.00 -0.18 5.87 5.03 0.18 -3.03 117.51 125.39 1bwf h ILE 144 Ca 0.07 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.82 1bwf h ILE 144 Cb 0.14 0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 33.91 1bwf h ILE 144 CO -0.27 0.00 -0.11 0.18 -0.68 0.00 0.00 178.15 177.28 1bwf n LEU 145 N -4.39 -0.19 0.24 1.44 7.99 0.45 0.27 117.00 122.81 1bwf n LEU 145 Ca -0.09 0.37 0.16 0.00 -0.01 0.00 0.00 56.01 56.45 1bwf n LEU 145 Cb 0.31 -0.07 0.79 0.00 -0.11 0.00 0.00 43.42 44.35 1bwf n LEU 145 CO 0.20 -0.28 0.99 0.44 -1.51 0.00 0.00 177.39 177.22 1bwf h ASP 146 N 0.00 0.00 0.54 -1.43 3.32 -1.36 -2.44 116.42 115.05 1bwf h ASP 146 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1bwf h ASP 146 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1bwf h ASP 146 CO -0.17 0.00 -0.95 1.41 -1.72 0.00 0.00 179.24 177.81 1bwf n HIS 147 N -2.71 0.35 -3.92 4.55 8.25 0.75 -4.78 115.22 117.71 1bwf n HIS 147 Ca -0.01 0.10 -0.36 0.00 -0.26 0.00 0.00 57.72 57.19 1bwf n HIS 147 Cb 0.15 -0.50 -0.07 0.00 1.12 0.00 0.00 29.99 30.69 1bwf n HIS 147 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1bwf s VAL 148 N -3.20 5.33 0.00 1.59 1.01 -0.87 -5.06 120.40 119.20 1bwf s VAL 148 Ca 0.04 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1bwf s VAL 148 Cb 0.14 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1bwf s VAL 148 CO 0.78 0.58 0.40 -0.62 0.00 0.00 0.00 175.10 176.24 1bwf n GLU 149 N 2.31 0.00 0.19 2.72 -0.58 -1.26 -4.29 120.64 119.74 1bwf n GLU 149 Ca -0.19 0.02 -0.16 0.00 -0.42 0.00 0.00 57.16 56.41 1bwf n GLU 149 Cb 0.54 -0.90 -0.09 0.00 -0.57 0.00 0.00 31.44 30.42 1bwf n GLU 149 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1bwf h GLY 150 N 0.00 -1.20 0.00 0.62 0.00 -1.97 -3.41 103.07 97.11 1bwf h GLY 150 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.93 1bwf h GLY 150 CO 0.00 -0.33 0.00 -1.14 0.00 0.00 0.00 176.54 175.07 1bwf n SER 151 N -5.25 0.00 -0.37 0.19 3.41 -1.26 -0.93 113.62 109.41 1bwf n SER 151 Ca -0.10 0.00 0.34 0.00 -0.26 0.00 0.00 58.87 58.86 1bwf n SER 151 Cb 0.40 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 64.97 1bwf n SER 151 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1bwf h ARG 152 N 0.00 0.01 0.02 4.33 3.08 -1.82 1.30 114.38 121.30 1bwf h ARG 152 Ca 0.00 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bwf h ARG 152 Cb 0.00 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1bwf h ARG 152 CO 0.00 0.01 -0.03 0.93 -1.07 0.00 0.00 179.97 179.80 1bwf h GLU 153 N 0.01 -0.06 -0.46 0.04 4.39 -1.35 0.47 114.58 117.63 1bwf h GLU 153 Ca 0.86 0.00 0.08 0.00 0.34 0.00 0.00 59.36 60.64 1bwf h GLU 153 Cb 2.42 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 31.01 1bwf h GLU 153 CO -0.67 -0.04 0.03 0.00 -1.16 0.00 0.00 179.01 177.17 1bwf h ARG 154 N -0.06 0.14 -0.89 2.33 3.08 -1.19 1.53 114.38 119.32 1bwf h ARG 154 Ca -0.00 -0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.15 1bwf h ARG 154 Cb 0.06 -0.03 -0.13 0.00 0.08 0.00 0.00 29.97 29.95 1bwf h ARG 154 CO -0.01 0.09 -0.43 0.00 -1.07 0.00 0.00 179.97 178.56 1bwf n ALA 155 N -2.58 -0.31 -0.05 0.04 0.00 0.43 0.20 120.51 118.24 1bwf n ALA 155 Ca 0.04 0.83 -0.10 0.00 0.00 0.00 0.00 53.44 54.21 1bwf n ALA 155 Cb 0.24 -0.28 -0.04 0.00 0.00 0.00 0.00 19.45 19.37 1bwf n ALA 155 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1bwf h ARG 156 N 0.00 0.27 -0.41 0.00 9.65 0.32 -1.65 114.38 122.57 1bwf h ARG 156 Ca 0.24 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.09 1bwf h ARG 156 Cb 0.46 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 1bwf h ARG 156 CO -0.86 0.23 0.00 2.89 2.80 0.00 0.00 179.97 185.02 1bwf n ARG 157 N -4.92 0.54 -2.27 0.20 0.00 0.49 -4.73 116.66 105.98 1bwf n ARG 157 Ca -0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.74 1bwf n ARG 157 Cb 0.05 -1.20 -0.01 0.00 -0.00 0.00 0.00 32.46 31.30 1bwf n ARG 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bwf n GLY 158 N 0.18 -0.31 0.07 2.89 0.00 -0.36 -4.79 105.19 102.88 1bwf n GLY 158 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1bwf n GLY 158 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1bwf h GLU 159 N 0.00 0.03 -5.44 1.61 4.81 -0.39 -3.46 114.58 111.74 1bwf h GLU 159 Ca -0.19 -0.05 -0.64 0.00 -0.13 0.00 0.00 59.36 58.35 1bwf h GLU 159 Cb 1.05 0.02 -0.19 0.00 0.63 0.00 0.00 28.75 30.26 1bwf h GLU 159 CO 0.23 0.92 -0.63 -0.51 -0.73 0.00 0.00 179.01 178.29 1bwf s LEU 160 N -6.63 3.47 -0.08 1.64 1.43 -1.19 -3.04 118.68 114.28 1bwf s LEU 160 Ca -0.01 -0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.06 1bwf s LEU 160 Cb 0.09 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 1bwf s LEU 160 CO 0.83 0.21 0.00 -0.22 0.23 0.00 0.00 176.35 177.41 1bwf s LEU 161 N 0.10 3.60 0.19 1.79 0.20 0.11 -4.00 118.68 120.66 1bwf s LEU 161 Ca 0.01 0.15 0.11 0.00 0.69 0.00 0.00 54.13 55.09 1bwf s LEU 161 Cb -0.13 -1.83 -0.04 0.00 -0.43 0.00 0.00 46.19 43.75 1bwf s LEU 161 CO 0.02 0.38 -0.20 0.12 -0.29 0.00 0.00 176.35 176.37 1bwf s PHE 162 N -0.90 2.40 0.07 5.38 2.19 -0.55 -0.21 117.98 126.37 1bwf s PHE 162 Ca 0.14 -0.32 -0.27 0.00 0.33 0.00 0.00 56.93 56.80 1bwf s PHE 162 Cb -0.11 -1.19 0.09 0.00 -1.31 0.00 0.00 43.02 40.50 1bwf s PHE 162 CO 0.03 0.50 1.06 0.20 1.83 0.00 0.00 175.22 178.83 1bwf s GLY 163 N -2.69 -0.31 0.50 13.12 0.00 0.35 -4.59 107.32 113.69 1bwf s GLY 163 Ca 0.22 0.45 0.08 0.00 0.00 0.00 0.00 44.72 45.47 1bwf s GLY 163 CO 0.11 0.09 0.59 -0.51 0.00 0.00 0.00 173.10 173.39 1bwf s THR 164 N -2.98 2.38 0.15 0.90 -4.23 -1.26 0.35 115.64 110.94 1bwf s THR 164 Ca 0.12 -1.15 -0.26 0.00 -1.18 0.00 0.00 61.69 59.22 1bwf s THR 164 Cb 0.00 -2.53 -0.01 0.00 1.34 0.00 0.00 72.50 71.31 1bwf s THR 164 CO -0.01 0.00 1.59 0.58 -0.54 0.00 0.00 174.62 176.24 1bwf h VAL 165 N 0.55 0.19 0.00 2.29 2.07 -1.82 0.76 116.25 120.29 1bwf h VAL 165 Ca -0.36 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1bwf h VAL 165 Cb 1.28 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1bwf h VAL 165 CO 0.48 0.00 -0.07 -2.24 0.02 0.00 0.00 177.57 175.76 1bwf h ASP 166 N -0.37 -0.21 -0.69 0.57 2.03 -1.93 1.19 116.42 117.00 1bwf h ASP 166 Ca 0.12 0.02 0.11 0.00 -0.73 0.00 0.00 57.03 56.55 1bwf h ASP 166 Cb 0.58 0.08 -0.11 0.00 -0.83 0.00 0.00 39.33 39.05 1bwf h ASP 166 CO -0.46 -0.07 -0.26 0.41 -1.03 0.00 0.00 179.24 177.82 1bwf n THR 167 N -2.88 -0.36 0.11 1.15 -1.04 -0.84 0.18 114.28 110.60 1bwf n THR 167 Ca -0.01 1.62 -0.13 0.00 -2.04 0.00 0.00 64.05 63.49 1bwf n THR 167 Cb 0.05 -2.15 -0.08 0.00 -1.82 0.00 0.00 70.33 66.33 1bwf n THR 167 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 1bwf h TRP 168 N 0.00 -0.25 -0.61 -1.42 2.91 0.14 -2.47 115.95 114.26 1bwf h TRP 168 Ca 0.25 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.33 1bwf h TRP 168 Cb 0.42 0.08 -0.10 0.00 -0.51 0.00 0.00 29.16 29.06 1bwf h TRP 168 CO -0.60 0.01 -0.55 -0.07 -1.03 0.00 0.00 178.44 176.20 1bwf h LEU 169 N -0.49 -1.91 -0.09 0.65 -0.00 1.12 -2.35 115.31 112.23 1bwf h LEU 169 Ca -0.03 0.27 0.04 0.00 -0.00 0.00 0.00 57.88 58.16 1bwf h LEU 169 Cb 0.37 0.81 -0.06 0.00 -0.00 0.00 0.00 40.66 41.78 1bwf h LEU 169 CO 0.04 -0.35 -0.45 0.40 -0.00 0.00 0.00 178.44 178.09 1bwf h ILE 170 N -0.26 0.11 -0.77 1.22 5.03 -0.51 -0.73 117.51 121.59 1bwf h ILE 170 Ca 0.11 0.00 0.12 0.00 -0.12 0.00 0.00 64.86 64.98 1bwf h ILE 170 Cb 0.54 0.11 -0.13 0.00 -3.03 0.00 0.00 36.82 34.31 1bwf h ILE 170 CO -0.71 0.00 -0.28 1.87 -0.68 0.00 0.00 178.15 178.35 1bwf n TRP 171 N -5.44 0.07 -0.05 1.37 -0.00 -0.93 0.91 117.44 113.36 1bwf n TRP 171 Ca -0.05 0.94 -0.09 0.00 -0.00 0.00 0.00 57.50 58.31 1bwf n TRP 171 Cb 0.37 -0.81 -0.03 0.00 -0.00 0.00 0.00 31.31 30.84 1bwf n TRP 171 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 1bwf h LYS 172 N 0.00 -0.30 -0.32 5.87 1.79 -0.70 0.16 116.57 123.07 1bwf h LYS 172 Ca 0.28 0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.83 1bwf h LYS 172 Cb 0.48 0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 31.14 1bwf h LYS 172 CO -0.77 -0.20 -0.03 0.52 -1.08 0.00 0.00 179.45 177.90 1bwf h MET 173 N -0.31 0.06 -0.26 3.15 2.86 0.16 -2.48 114.93 118.11 1bwf h MET 173 Ca 0.13 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1bwf h MET 173 Cb 0.52 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1bwf h MET 173 CO -0.42 0.04 0.00 0.25 1.06 0.00 0.00 176.91 177.83 1bwf n THR 174 N -5.20 0.34 0.00 2.22 -2.24 0.28 -4.31 114.28 105.37 1bwf n THR 174 Ca 0.01 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1bwf n THR 174 Cb 0.17 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 1bwf n THR 174 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bwf n GLN 175 N 0.22 0.00 0.00 -0.78 6.02 0.51 -1.15 117.38 122.21 1bwf n GLN 175 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1bwf n GLN 175 Cb 0.22 -0.09 0.00 0.00 1.02 0.00 0.00 30.24 31.39 1bwf n GLN 175 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bwf n GLY 176 N 0.00 0.00 0.36 1.08 0.00 -0.98 -4.70 105.19 100.95 1bwf n GLY 176 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1bwf n GLY 176 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bwf h ARG 177 N 0.00 -0.62 -6.36 1.61 3.08 -1.35 -3.44 114.38 107.30 1bwf h ARG 177 Ca 0.00 0.04 -0.67 0.00 0.07 0.00 0.00 59.98 59.42 1bwf h ARG 177 Cb 0.00 0.14 -0.18 0.00 0.08 0.00 0.00 29.97 30.01 1bwf h ARG 177 CO 0.00 -0.41 -0.72 0.08 -1.07 0.00 0.00 179.97 177.85 1bwf s VAL 178 N -6.00 3.49 -0.43 2.04 1.01 -1.26 -5.04 120.40 114.21 1bwf s VAL 178 Ca -0.16 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 60.97 1bwf s VAL 178 Cb 0.07 -2.53 0.18 0.00 0.00 0.00 0.00 36.38 34.10 1bwf s VAL 178 CO 0.64 0.35 0.37 1.57 0.00 0.00 0.00 175.10 178.02 1bwf n HIS 179 N 1.45 -0.58 -4.39 5.22 -0.00 -1.26 -3.60 115.22 112.06 1bwf n HIS 179 Ca -0.15 -3.40 -0.20 0.00 0.46 0.00 0.00 57.72 54.43 1bwf n HIS 179 Cb 0.52 0.16 -0.10 0.00 -0.12 0.00 0.00 29.99 30.45 1bwf n HIS 179 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1bwf s VAL 180 N -0.15 0.71 0.17 3.57 0.11 -1.26 -0.64 120.40 122.91 1bwf s VAL 180 Ca 0.33 -2.00 -0.16 0.00 -2.93 0.00 0.00 61.98 57.22 1bwf s VAL 180 Cb 0.04 -2.62 0.02 0.00 -1.53 0.00 0.00 36.38 32.30 1bwf s VAL 180 CO -0.19 0.00 0.45 0.28 -3.33 0.00 0.00 175.10 172.31 1bwf s THR 181 N -3.51 0.04 0.38 5.04 -1.32 0.11 -4.03 115.64 112.35 1bwf s THR 181 Ca 0.35 -0.83 0.06 0.00 -1.21 0.00 0.00 61.69 60.06 1bwf s THR 181 Cb 0.07 -1.51 0.06 0.00 -1.51 0.00 0.00 72.50 69.61 1bwf s THR 181 CO 0.15 -0.20 0.51 -0.90 -2.21 0.00 0.00 174.62 171.97 1bwf n ASP 182 N -0.29 1.45 0.03 8.08 5.75 -1.26 0.24 116.55 130.54 1bwf n ASP 182 Ca -0.11 -2.03 -0.13 0.00 -0.01 0.00 0.00 54.79 52.51 1bwf n ASP 182 Cb 0.63 -0.26 -0.09 0.00 -1.03 0.00 0.00 41.12 40.36 1bwf n ASP 182 CO 0.00 0.00 0.00 1.88 -0.11 0.00 0.00 177.20 178.97 1bwf h TYR 183 N 0.10 -0.08 -0.00 2.11 0.05 -1.78 -2.09 116.97 115.28 1bwf h TYR 183 Ca -0.18 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.63 1bwf h TYR 183 Cb 0.82 0.03 -0.05 0.00 1.01 0.00 0.00 36.73 38.54 1bwf h TYR 183 CO 0.00 0.33 -0.30 1.79 -1.05 0.00 0.00 178.16 178.93 1bwf h THR 184 N -0.52 0.34 -0.13 -2.88 1.35 -1.87 0.38 112.91 109.56 1bwf h THR 184 Ca -0.01 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.88 1bwf h THR 184 Cb 0.45 0.34 -0.03 0.00 -1.73 0.00 0.00 68.15 67.18 1bwf h THR 184 CO 0.02 0.00 -0.05 0.78 -0.25 0.00 0.00 175.52 176.02 1bwf h ASN 185 N -0.45 -0.17 -0.44 5.36 -0.26 -1.86 -2.08 115.58 115.68 1bwf h ASN 185 Ca 0.06 0.05 0.09 0.00 -0.56 0.00 0.00 56.30 55.94 1bwf h ASN 185 Cb 0.54 0.10 -0.08 0.00 -1.06 0.00 0.00 38.32 37.82 1bwf h ASN 185 CO -0.26 -0.07 -0.08 0.00 -1.06 0.00 0.00 177.43 175.97 1bwf h ALA 186 N 1.10 0.33 0.00 -0.83 0.00 -0.74 -0.74 119.26 118.37 1bwf h ALA 186 Ca 0.07 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1bwf h ALA 186 Cb 0.13 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1bwf h ALA 186 CO -0.15 -0.43 0.18 -1.13 0.00 0.00 0.00 179.25 177.72 1bwf n SER 187 N -5.29 0.00 -0.04 0.00 3.41 0.13 0.15 113.62 111.98 1bwf n SER 187 Ca 0.03 0.23 -0.05 0.00 -0.26 0.00 0.00 58.87 58.83 1bwf n SER 187 Cb 0.24 -0.23 -0.14 0.00 -0.26 0.00 0.00 64.21 63.82 1bwf n SER 187 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1bwf n ARG 188 N -1.19 0.66 0.24 4.33 5.12 -0.29 -4.53 116.66 121.00 1bwf n ARG 188 Ca 0.00 0.10 0.12 0.00 -1.93 0.00 0.00 57.85 56.14 1bwf n ARG 188 Cb 0.18 -1.66 0.58 0.00 -1.16 0.00 0.00 32.46 30.41 1bwf n ARG 188 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 1bwf h THR 189 N 0.00 0.44 -1.09 0.55 1.35 -0.38 -3.37 112.91 110.41 1bwf h THR 189 Ca -0.33 -0.85 -0.09 0.00 -0.55 0.00 0.00 66.41 64.59 1bwf h THR 189 Cb 1.89 1.61 0.01 0.00 -1.73 0.00 0.00 68.15 69.92 1bwf h THR 189 CO 0.04 0.15 -0.12 0.80 -0.25 0.00 0.00 175.52 176.14 1bwf n MET 190 N -3.38 -0.79 -2.96 4.72 1.56 -1.26 0.82 117.12 115.83 1bwf n MET 190 Ca -0.00 0.20 -0.14 0.00 -0.27 0.00 0.00 57.70 57.49 1bwf n MET 190 Cb 0.36 -3.70 0.03 0.00 2.15 0.00 0.00 33.22 32.06 1bwf n MET 190 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1bwf n LEU 191 N -0.90 -0.77 -3.35 -0.89 4.77 -1.26 -4.73 117.00 109.87 1bwf n LEU 191 Ca -0.03 -4.35 0.02 0.00 -0.03 0.00 0.00 56.01 51.62 1bwf n LEU 191 Cb 0.53 0.83 -0.04 0.00 -2.33 0.00 0.00 43.42 42.41 1bwf n LEU 191 CO 0.09 2.18 0.59 0.12 -1.33 0.00 0.00 177.39 179.03 1bwf s PHE 192 N -1.06 -0.69 0.15 -1.77 2.19 -1.26 -3.66 117.98 111.88 1bwf s PHE 192 Ca 0.31 1.10 -0.30 0.00 0.33 0.00 0.00 56.93 58.37 1bwf s PHE 192 Cb 0.32 0.38 -0.07 0.00 -1.31 0.00 0.00 43.02 42.33 1bwf s PHE 192 CO -0.07 -0.35 1.11 1.21 1.83 0.00 0.00 175.22 178.95 1bwf s ASN 193 N 2.54 7.23 -0.53 6.13 3.84 1.38 -4.37 114.94 131.15 1bwf s ASN 193 Ca -0.01 2.06 0.01 0.00 0.21 0.00 0.00 52.86 55.14 1bwf s ASN 193 Cb -0.07 -2.60 0.47 0.00 -0.55 0.00 0.00 41.25 38.50 1bwf s ASN 193 CO -0.17 -0.27 1.76 2.30 -2.79 0.00 0.00 177.10 177.94 1bwf n ILE 194 N 2.68 3.25 -2.38 -5.21 -5.35 -0.62 -0.24 119.36 111.49 1bwf n ILE 194 Ca 0.04 -3.24 -0.03 0.00 -0.27 0.00 0.00 62.75 59.24 1bwf n ILE 194 Cb 0.46 -1.08 0.05 0.00 -1.74 0.00 0.00 39.64 37.33 1bwf n ILE 194 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1bwf n HIS 195 N -0.88 -1.12 -0.44 4.28 -0.00 -1.26 -4.64 115.22 111.15 1bwf n HIS 195 Ca 0.56 -1.09 0.00 0.00 -0.00 0.00 0.00 57.72 57.19 1bwf n HIS 195 Cb 0.82 1.07 0.00 0.00 -0.00 0.00 0.00 29.99 31.88 1bwf n HIS 195 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 1bwf n THR 196 N -0.84 0.00 -3.97 1.59 -1.04 -1.22 -5.01 114.28 103.79 1bwf n THR 196 Ca -0.19 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.55 1bwf n THR 196 Cb 0.76 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.21 1bwf n THR 196 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1bwf n LEU 197 N 0.00 -0.65 -3.52 -4.42 7.99 0.67 -4.83 117.00 112.22 1bwf n LEU 197 Ca 0.00 -1.03 -0.09 0.00 -0.01 0.00 0.00 56.01 54.88 1bwf n LEU 197 Cb 0.00 -1.27 -0.03 0.00 -0.11 0.00 0.00 43.42 42.01 1bwf n LEU 197 CO 0.00 0.43 0.72 -0.62 -1.51 0.00 0.00 177.39 176.41 1bwf s ASP 198 N -4.06 -0.35 1.03 -1.43 2.15 -0.25 -4.96 116.67 108.79 1bwf s ASP 198 Ca 0.07 0.09 -0.23 0.00 0.43 0.00 0.00 52.55 52.90 1bwf s ASP 198 Cb -0.04 0.35 -0.11 0.00 -0.30 0.00 0.00 42.92 42.83 1bwf s ASP 198 CO 0.80 -0.54 -0.98 0.79 -0.17 0.00 0.00 175.17 175.07 1bwf n TRP 199 N -0.03 -1.91 -3.82 -5.34 5.03 -1.26 0.41 117.44 110.53 1bwf n TRP 199 Ca -0.08 0.42 -0.28 0.00 3.03 0.00 0.00 57.50 60.59 1bwf n TRP 199 Cb 0.61 -1.45 -0.16 0.00 -1.03 0.00 0.00 31.31 29.27 1bwf n TRP 199 CO 0.00 0.00 0.00 0.34 -0.03 0.00 0.00 177.69 178.00 1bwf s ASP 200 N -1.25 2.98 0.14 -0.99 -1.08 -1.24 -3.78 116.67 111.45 1bwf s ASP 200 Ca 0.42 -0.80 -0.29 0.00 -0.52 0.00 0.00 52.55 51.36 1bwf s ASP 200 Cb -0.00 -0.78 -0.05 0.00 -1.46 0.00 0.00 42.92 40.63 1bwf s ASP 200 CO 0.69 -0.25 1.56 0.44 0.52 0.00 0.00 175.17 178.13 1bwf h ASP 201 N 8.16 -1.58 0.00 -0.34 5.19 -1.95 0.19 116.42 126.09 1bwf h ASP 201 Ca -0.19 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1bwf h ASP 201 Cb 1.11 0.67 0.00 0.00 0.18 0.00 0.00 39.33 41.28 1bwf h ASP 201 CO 0.36 -0.39 0.00 0.29 -3.12 0.00 0.00 179.24 176.38 1bwf n LYS 202 N -5.41 0.00 -0.29 3.56 4.76 -1.26 0.16 118.16 119.68 1bwf n LYS 202 Ca -0.02 0.53 -0.08 0.00 -2.87 0.00 0.00 58.31 55.87 1bwf n LYS 202 Cb 0.35 -0.87 -0.07 0.00 -1.84 0.00 0.00 35.03 32.60 1bwf n LYS 202 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1bwf n MET 203 N -1.81 -0.31 -0.35 1.97 2.81 -0.83 0.24 117.12 118.85 1bwf n MET 203 Ca 0.00 1.33 0.02 0.00 -1.81 0.00 0.00 57.70 57.24 1bwf n MET 203 Cb 0.00 -1.96 0.08 0.00 -0.71 0.00 0.00 33.22 30.63 1bwf n MET 203 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1bwf h LEU 204 N 0.00 -1.13 -0.01 4.03 3.38 0.11 1.75 115.31 123.44 1bwf h LEU 204 Ca 0.11 0.29 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 1bwf h LEU 204 Cb 0.29 0.66 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1bwf h LEU 204 CO -0.66 -0.30 -0.04 1.05 0.09 0.00 0.00 178.44 178.58 1bwf h GLU 205 N -0.01 0.04 -0.53 1.13 4.11 0.50 0.64 114.58 120.46 1bwf h GLU 205 Ca 0.40 -0.03 0.11 0.00 0.07 0.00 0.00 59.36 59.90 1bwf h GLU 205 Cb 0.64 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.80 1bwf h GLU 205 CO -0.96 0.73 -0.19 0.28 0.07 0.00 0.00 179.01 178.93 1bwf h VAL 206 N -0.64 0.37 0.00 -1.06 2.07 0.55 0.75 116.25 118.28 1bwf h VAL 206 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1bwf h VAL 206 Cb 0.74 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1bwf h VAL 206 CO 0.01 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.78 1bwf n LEU 207 N -5.41 0.00 -3.43 2.57 7.99 0.57 -4.93 117.00 114.37 1bwf n LEU 207 Ca 0.05 0.44 -0.19 0.00 -0.01 0.00 0.00 56.01 56.30 1bwf n LEU 207 Cb 0.31 -0.44 0.04 0.00 -0.11 0.00 0.00 43.42 43.22 1bwf n LEU 207 CO 0.07 -0.10 0.03 -0.67 -1.51 0.00 0.00 177.39 175.21 1bwf n ASP 208 N -1.44 -6.23 -4.14 -1.43 2.03 0.26 -4.68 116.55 100.92 1bwf n ASP 208 Ca 0.07 -0.72 -0.29 0.00 0.52 0.00 0.00 54.79 54.37 1bwf n ASP 208 Cb 0.24 -4.23 -0.17 0.00 -0.72 0.00 0.00 41.12 36.25 1bwf n ASP 208 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1bwf s ILE 209 N -3.31 1.66 -0.22 5.18 1.09 0.21 -4.98 121.20 120.83 1bwf s ILE 209 Ca 0.34 -0.79 -0.29 0.00 -1.10 0.00 0.00 60.65 58.81 1bwf s ILE 209 Cb -0.09 -1.46 -0.03 0.00 -1.06 0.00 0.00 42.46 39.83 1bwf s ILE 209 CO 0.80 0.47 1.67 -2.84 -0.10 0.00 0.00 174.94 174.94 1bwf s PRO 210 N 0.45 3.76 0.63 2.79 0.02 -1.26 -4.68 135.00 136.71 1bwf s PRO 210 Ca -0.16 1.70 0.21 0.00 0.02 0.00 0.00 61.00 62.77 1bwf s PRO 210 Cb -0.17 -4.06 0.94 0.00 0.02 0.00 0.00 34.50 31.23 1bwf s PRO 210 CO 0.07 -1.35 1.48 -0.09 -0.33 0.00 0.00 177.00 176.78 1bwf h ARG 211 N 11.02 0.00 0.30 5.54 1.12 -1.94 -2.73 114.38 127.69 1bwf h ARG 211 Ca -0.35 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.53 1bwf h ARG 211 Cb 1.16 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 31.09 1bwf h ARG 211 CO 1.00 0.00 -0.43 0.93 -3.11 0.00 0.00 179.97 178.36 1bwf h GLU 212 N 0.00 -0.76 0.00 0.20 3.07 -1.89 -2.79 114.58 112.41 1bwf h GLU 212 Ca 0.21 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 1bwf h GLU 212 Cb 1.86 0.17 0.00 0.00 -0.84 0.00 0.00 28.75 29.94 1bwf h GLU 212 CO -0.00 -0.50 0.00 0.00 -1.40 0.00 0.00 179.01 177.10 1bwf n MET 213 N -5.49 0.11 -2.40 2.33 0.00 -1.03 -4.75 117.12 105.89 1bwf n MET 213 Ca -0.09 0.11 -0.30 0.00 0.00 0.00 0.00 57.70 57.41 1bwf n MET 213 Cb 0.40 -1.50 -0.01 0.00 0.00 0.00 0.00 33.22 32.11 1bwf n MET 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1bwf s LEU 214 N -2.25 3.54 0.42 3.17 1.02 -1.06 -1.48 118.68 122.05 1bwf s LEU 214 Ca 0.06 1.23 0.08 0.00 0.02 0.00 0.00 54.13 55.51 1bwf s LEU 214 Cb 0.03 -4.19 -0.01 0.00 0.02 0.00 0.00 46.19 42.04 1bwf s LEU 214 CO 0.06 -0.63 0.41 -2.16 0.02 0.00 0.00 176.35 174.05 1bwf s PRO 215 N -4.58 2.56 0.27 1.29 0.04 -1.26 -4.98 135.00 128.33 1bwf s PRO 215 Ca 0.52 -1.51 -0.29 0.00 0.04 0.00 0.00 61.00 59.76 1bwf s PRO 215 Cb -0.10 -2.43 -0.09 0.00 0.04 0.00 0.00 34.50 31.91 1bwf s PRO 215 CO 0.43 -0.23 1.23 -2.00 0.04 0.00 0.00 177.00 176.46 1bwf s GLU 216 N -4.18 4.47 -0.32 4.56 2.12 0.19 -4.82 118.70 120.73 1bwf s GLU 216 Ca 0.49 2.02 -0.10 0.00 0.36 0.00 0.00 54.97 57.73 1bwf s GLU 216 Cb -0.04 -3.15 -0.01 0.00 0.26 0.00 0.00 34.13 31.19 1bwf s GLU 216 CO 0.29 -0.06 0.17 0.08 -0.54 0.00 0.00 175.26 175.20 1bwf s VAL 217 N -0.77 4.78 0.50 3.70 1.01 -1.26 0.04 120.40 128.40 1bwf s VAL 217 Ca 0.50 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.15 1bwf s VAL 217 Cb -0.36 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.62 1bwf s VAL 217 CO 0.44 0.06 0.23 0.54 0.00 0.00 0.00 175.10 176.38 1bwf n ARG 218 N 5.01 0.77 -1.90 2.72 5.12 0.67 -4.90 116.66 124.14 1bwf n ARG 218 Ca -0.14 -3.34 -0.32 0.00 -1.93 0.00 0.00 57.85 52.12 1bwf n ARG 218 Cb 0.49 0.58 0.02 0.00 -1.16 0.00 0.00 32.46 32.39 1bwf n ARG 218 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1bwf s ARG 219 N -3.97 3.22 -0.01 5.56 1.70 -1.26 -2.37 118.95 121.82 1bwf s ARG 219 Ca 0.18 1.12 -0.25 0.00 -0.47 0.00 0.00 55.73 56.30 1bwf s ARG 219 Cb -0.01 -2.02 -0.19 0.00 -0.57 0.00 0.00 34.95 32.16 1bwf s ARG 219 CO 0.11 -0.89 1.25 0.77 -1.08 0.00 0.00 175.30 175.47 1bwf h SER 220 N 0.08 -0.10 -3.00 -2.89 0.02 -1.16 -3.35 113.55 103.16 1bwf h SER 220 Ca -0.46 -0.37 -0.74 0.00 -0.84 0.00 0.00 61.79 59.38 1bwf h SER 220 Cb 1.22 0.02 -0.21 0.00 0.14 0.00 0.00 62.40 63.57 1bwf h SER 220 CO 0.57 0.34 0.57 -0.55 -1.14 0.00 0.00 176.83 176.62 1bwf s SER 221 N -5.50 6.76 0.13 3.07 0.15 -1.18 -2.71 113.70 114.42 1bwf s SER 221 Ca -0.15 -2.46 -0.21 0.00 0.70 0.00 0.00 55.95 53.82 1bwf s SER 221 Cb 0.02 -2.32 0.06 0.00 -1.71 0.00 0.00 66.02 62.07 1bwf s SER 221 CO 0.62 -0.80 0.54 -0.70 1.20 0.00 0.00 173.24 174.10 1bwf s GLU 222 N 1.40 1.18 -0.20 5.44 2.12 -0.86 -4.62 118.70 123.17 1bwf s GLU 222 Ca 0.28 -0.47 -0.24 0.00 0.36 0.00 0.00 54.97 54.89 1bwf s GLU 222 Cb -0.07 0.54 -0.01 0.00 0.26 0.00 0.00 34.13 34.85 1bwf s GLU 222 CO -0.08 -0.49 0.80 0.08 -0.54 0.00 0.00 175.26 175.03 1bwf s VAL 223 N -3.48 4.89 -0.06 3.70 1.01 -1.26 -3.73 120.40 121.46 1bwf s VAL 223 Ca 0.00 1.54 0.09 0.00 0.00 0.00 0.00 61.98 63.61 1bwf s VAL 223 Cb -0.00 -4.10 -0.13 0.00 0.00 0.00 0.00 36.38 32.15 1bwf s VAL 223 CO -0.10 0.01 0.22 -1.22 0.00 0.00 0.00 175.10 174.00 1bwf n TYR 224 N 5.44 0.00 -1.93 5.22 4.01 -0.95 -5.02 117.16 123.94 1bwf n TYR 224 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1bwf n TYR 224 Cb 0.49 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 1bwf n TYR 224 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bwf n GLY 225 N 1.90 -1.69 3.22 2.72 0.00 -1.26 -4.91 105.19 105.17 1bwf n GLY 225 Ca -0.01 -1.36 -0.28 0.00 0.00 0.00 0.00 46.02 44.37 1bwf n GLY 225 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bwf s GLN 226 N -1.94 1.85 -0.20 1.61 -0.21 -1.26 -2.13 119.66 117.38 1bwf s GLN 226 Ca 0.00 -0.76 -0.07 0.00 0.02 0.00 0.00 55.36 54.55 1bwf s GLN 226 Cb 0.00 -1.73 -0.03 0.00 1.00 0.00 0.00 33.01 32.25 1bwf s GLN 226 CO 0.00 0.42 0.05 0.99 -2.12 0.00 0.00 175.29 174.62 1bwf s THR 227 N -0.37 4.44 -0.63 -0.19 2.01 0.49 -4.66 115.64 116.73 1bwf s THR 227 Ca 0.05 -0.15 -0.23 0.00 0.31 0.00 0.00 61.69 61.67 1bwf s THR 227 Cb -0.10 -3.02 0.06 0.00 0.01 0.00 0.00 72.50 69.45 1bwf s THR 227 CO 0.00 0.42 0.98 0.21 -0.69 0.00 0.00 174.62 175.54 1bwf s ASN 228 N 0.81 6.22 -0.13 3.53 3.84 -1.26 -1.51 114.94 126.43 1bwf s ASN 228 Ca 0.03 -0.77 -0.19 0.00 0.21 0.00 0.00 52.86 52.14 1bwf s ASN 228 Cb -0.14 -2.43 -0.25 0.00 -0.55 0.00 0.00 41.25 37.88 1bwf s ASN 228 CO 0.02 -1.41 0.51 -0.29 -2.79 0.00 0.00 177.10 173.14 1bwf h ILE 229 N 5.99 1.10 0.00 -5.21 6.09 -1.93 -3.49 117.51 120.06 1bwf h ILE 229 Ca -0.28 -2.34 0.00 0.00 -1.37 0.00 0.00 64.86 60.87 1bwf h ILE 229 Cb 1.07 2.69 0.00 0.00 0.47 0.00 0.00 36.82 41.05 1bwf h ILE 229 CO 1.16 0.61 0.00 0.61 -3.07 0.00 0.00 178.15 177.46 1bwf n GLY 230 N 1.66 0.00 0.85 8.18 0.00 -1.26 -5.05 105.19 109.56 1bwf n GLY 230 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1bwf n GLY 230 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bwf n THR 235 N 0.00 -1.31 -2.47 2.61 -1.04 -1.26 -4.78 114.28 106.03 1bwf n THR 235 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1bwf n THR 235 Cb 0.00 -2.18 -0.02 0.00 -1.82 0.00 0.00 70.33 66.31 1bwf n THR 235 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1bwf s ARG 236 N -0.18 3.43 0.05 -2.82 3.00 -1.26 -4.60 118.95 116.58 1bwf s ARG 236 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 55.73 56.17 1bwf s ARG 236 Cb 0.00 -4.06 -0.04 0.00 0.00 0.00 0.00 34.95 30.85 1bwf s ARG 236 CO 0.00 -1.77 0.19 0.42 0.00 0.00 0.00 175.30 174.14 1bwf s ILE 237 N 5.49 5.28 0.50 1.52 -1.09 -0.57 -4.84 121.20 127.49 1bwf s ILE 237 Ca 0.50 -0.41 -0.05 0.00 -2.23 0.00 0.00 60.65 58.46 1bwf s ILE 237 Cb -0.10 -3.56 -0.02 0.00 -1.58 0.00 0.00 42.46 37.20 1bwf s ILE 237 CO 0.26 0.16 0.79 -2.16 -1.23 0.00 0.00 174.94 172.77 1bwf s PRO 238 N -2.43 3.33 -0.38 2.79 0.04 -1.26 0.18 135.00 137.28 1bwf s PRO 238 Ca 0.33 0.05 0.01 0.00 0.04 0.00 0.00 61.00 61.43 1bwf s PRO 238 Cb -0.13 -2.38 0.13 0.00 0.04 0.00 0.00 34.50 32.16 1bwf s PRO 238 CO 0.26 -0.32 0.20 0.42 0.04 0.00 0.00 177.00 177.60 1bwf s ILE 239 N -2.77 0.87 -0.34 0.56 1.01 -0.91 -1.66 121.20 117.97 1bwf s ILE 239 Ca 0.49 -2.00 0.15 0.00 0.00 0.00 0.00 60.65 59.29 1bwf s ILE 239 Cb -0.10 -1.63 0.45 0.00 0.01 0.00 0.00 42.46 41.19 1bwf s ILE 239 CO 0.44 -0.87 1.35 -1.54 0.00 0.00 0.00 174.94 174.32 1bwf n SER 240 N 4.03 3.51 -3.95 3.58 3.41 -1.15 -2.23 113.62 120.82 1bwf n SER 240 Ca 0.07 -2.77 -0.21 0.00 -0.26 0.00 0.00 58.87 55.70 1bwf n SER 240 Cb 0.37 -0.45 -0.16 0.00 -0.26 0.00 0.00 64.21 63.71 1bwf n SER 240 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1bwf s GLY 241 N -1.77 0.57 -0.30 5.00 0.00 -1.18 -2.03 107.32 107.62 1bwf s GLY 241 Ca 0.36 -0.21 -0.03 0.00 0.00 0.00 0.00 44.72 44.84 1bwf s GLY 241 CO 0.10 0.24 0.71 -0.42 0.00 0.00 0.00 173.10 173.72 1bwf s ILE 242 N 0.69 -0.83 0.09 0.90 1.01 -1.10 -0.63 121.20 121.33 1bwf s ILE 242 Ca -0.11 0.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.48 1bwf s ILE 242 Cb -0.14 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 1bwf s ILE 242 CO 0.01 0.00 0.13 0.00 0.00 0.00 0.00 174.94 175.08 1bwf s ALA 243 N 2.88 0.11 0.32 9.38 0.00 -1.12 -4.36 121.76 128.98 1bwf s ALA 243 Ca 0.15 -0.90 -0.27 0.00 0.00 0.00 0.00 51.96 50.94 1bwf s ALA 243 Cb -0.13 0.51 -0.09 0.00 0.00 0.00 0.00 23.12 23.41 1bwf s ALA 243 CO -0.19 -0.49 1.02 0.20 0.00 0.00 0.00 175.76 176.30 1bwf s GLY 244 N -2.91 2.90 0.34 0.00 0.00 -1.26 -3.96 107.32 102.44 1bwf s GLY 244 Ca 0.09 0.70 0.14 0.00 0.00 0.00 0.00 44.72 45.65 1bwf s GLY 244 CO -0.08 1.20 1.60 1.29 0.00 0.00 0.00 173.10 177.11 1bwf h ASP 245 N 3.28 0.15 -0.07 1.64 2.03 -1.31 1.63 116.42 123.78 1bwf h ASP 245 Ca -0.47 0.25 -0.01 0.00 -0.73 0.00 0.00 57.03 56.07 1bwf h ASP 245 Cb 1.21 0.29 -0.00 0.00 -0.83 0.00 0.00 39.33 39.99 1bwf h ASP 245 CO 0.65 -0.34 0.01 1.56 -1.03 0.00 0.00 179.24 180.10 1bwf h GLN 246 N 0.08 0.10 -0.06 4.15 1.08 -1.91 0.56 115.11 119.12 1bwf h GLN 246 Ca 0.75 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.87 1bwf h GLN 246 Cb 1.81 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 29.22 1bwf h GLN 246 CO -0.76 0.31 -0.18 1.96 -0.95 0.00 0.00 178.83 179.21 1bwf h GLN 247 N -0.11 0.09 -0.01 1.46 7.50 -0.90 0.83 115.11 123.96 1bwf h GLN 247 Ca 0.02 -0.02 0.02 0.00 0.50 0.00 0.00 58.65 59.17 1bwf h GLN 247 Cb 0.25 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.74 1bwf h GLN 247 CO 0.00 0.27 -0.09 0.00 -1.50 0.00 0.00 178.83 177.51 1bwf h ALA 248 N 1.74 -0.09 -0.38 3.87 0.00 0.25 0.23 119.26 124.88 1bwf h ALA 248 Ca 0.02 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1bwf h ALA 248 Cb 0.37 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1bwf h ALA 248 CO 0.03 -0.58 -0.16 0.00 0.00 0.00 0.00 179.25 178.53 1bwf h ALA 249 N 0.83 1.01 -0.65 0.00 0.00 0.33 -0.55 119.26 120.22 1bwf h ALA 249 Ca 0.04 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.65 1bwf h ALA 249 Cb 0.21 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1bwf h ALA 249 CO -0.11 0.59 0.43 1.25 0.00 0.00 0.00 179.25 181.42 1bwf h LEU 250 N 0.63 0.68 0.34 0.00 5.85 0.14 -0.91 115.31 122.04 1bwf h LEU 250 Ca 0.10 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1bwf h LEU 250 Cb 0.63 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1bwf h LEU 250 CO 0.04 0.47 -0.16 0.15 -0.34 0.00 0.00 178.44 178.61 1bwf h PHE 251 N 0.80 -0.42 0.00 1.25 3.57 0.08 -1.25 116.94 120.96 1bwf h PHE 251 Ca 0.26 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.75 1bwf h PHE 251 Cb 0.05 0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1bwf h PHE 251 CO -0.00 -0.11 0.33 0.78 -2.23 0.00 0.00 178.31 177.08 1bwf h GLY 252 N -0.99 0.00 -1.92 2.40 0.00 -0.70 3.59 103.07 105.45 1bwf h GLY 252 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1bwf h GLY 252 CO 0.08 0.00 0.00 -0.18 0.00 0.00 0.00 176.54 176.44 1bwf n GLN 253 N -2.30 2.31 -3.97 4.80 -0.06 -0.39 -4.73 117.38 113.04 1bwf n GLN 253 Ca -0.01 -1.97 -0.29 0.00 -2.00 0.00 0.00 57.00 52.73 1bwf n GLN 253 Cb 0.35 -1.48 0.00 0.00 -4.06 0.00 0.00 30.24 25.06 1bwf n GLN 253 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1bwf n LEU 254 N 1.19 -2.34 -3.55 1.69 4.32 1.19 -4.83 117.00 114.68 1bwf n LEU 254 Ca 0.18 -0.90 -0.40 0.00 -0.02 0.00 0.00 56.01 54.87 1bwf n LEU 254 Cb 0.54 -2.37 0.01 0.00 -1.62 0.00 0.00 43.42 39.98 1bwf n LEU 254 CO 0.15 0.41 1.69 0.00 -1.22 0.00 0.00 177.39 178.41 1bwf n VAL 256 N 0.38 2.02 -3.88 0.00 0.31 -1.26 -4.71 118.33 111.18 1bwf n VAL 256 Ca 0.51 -1.06 -0.11 0.00 -0.01 0.00 0.00 64.34 63.67 1bwf n VAL 256 Cb 0.26 -0.25 -0.11 0.00 -0.91 0.00 0.00 33.84 32.83 1bwf n VAL 256 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1bwf s LYS 257 N -2.26 0.34 -0.10 5.55 -2.85 -1.26 -4.16 119.74 115.01 1bwf s LYS 257 Ca 0.42 -0.26 -0.10 0.00 -1.00 0.00 0.00 55.97 55.04 1bwf s LYS 257 Cb 0.31 0.14 -0.04 0.00 -2.06 0.00 0.00 37.83 36.18 1bwf s LYS 257 CO 0.14 -0.07 0.35 0.39 0.10 0.00 0.00 175.35 176.26 1bwf n GLU 258 N 1.97 0.00 -0.84 1.78 1.02 -1.26 -2.47 120.64 120.84 1bwf n GLU 258 Ca -0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1bwf n GLU 258 Cb 0.57 -0.31 0.00 0.00 -0.02 0.00 0.00 31.44 31.68 1bwf n GLU 258 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bwf n GLY 259 N 0.94 0.59 3.81 0.62 0.00 0.41 -4.98 105.19 106.57 1bwf n GLY 259 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1bwf n GLY 259 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1bwf s MET 260 N -0.16 3.94 0.02 1.61 -1.94 -1.03 -4.87 119.30 116.87 1bwf s MET 260 Ca 0.00 0.26 -0.05 0.00 -1.71 0.00 0.00 55.69 54.19 1bwf s MET 260 Cb 0.00 -3.28 -0.01 0.00 2.01 0.00 0.00 34.83 33.56 1bwf s MET 260 CO 0.00 0.57 0.08 0.00 -0.01 0.00 0.00 175.02 175.66 1bwf s ALA 261 N -0.60 -0.12 0.06 3.03 0.00 -1.26 -0.58 121.76 122.29 1bwf s ALA 261 Ca 0.21 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.79 1bwf s ALA 261 Cb -0.15 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 1bwf s ALA 261 CO 0.10 -0.24 -0.07 -1.59 0.00 0.00 0.00 175.76 173.96 1bwf s LYS 262 N -1.89 0.62 -0.11 0.00 0.00 -1.00 -3.52 119.74 113.83 1bwf s LYS 262 Ca -0.11 -0.97 0.03 0.00 0.00 0.00 0.00 55.97 54.92 1bwf s LYS 262 Cb -0.06 -0.19 0.00 0.00 0.00 0.00 0.00 37.83 37.59 1bwf s LYS 262 CO -0.01 0.01 -0.23 1.21 0.00 0.00 0.00 175.35 176.33 1bwf s ASN 263 N -2.15 3.04 0.04 0.03 2.47 0.38 -1.60 114.94 117.16 1bwf s ASN 263 Ca -0.02 -0.57 0.00 0.00 0.42 0.00 0.00 52.86 52.69 1bwf s ASN 263 Cb -0.04 -1.40 -0.04 0.00 -1.45 0.00 0.00 41.25 38.33 1bwf s ASN 263 CO -0.02 0.12 0.15 -0.89 -3.72 0.00 0.00 177.10 172.74 1bwf s THR 264 N 0.55 5.06 -0.52 -5.21 2.01 0.66 -1.59 115.64 116.60 1bwf s THR 264 Ca -0.14 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 61.44 1bwf s THR 264 Cb -0.17 -3.41 0.13 0.00 0.01 0.00 0.00 72.50 69.06 1bwf s THR 264 CO 0.04 0.22 0.27 -0.31 -0.69 0.00 0.00 174.62 174.15 1bwf s TYR 265 N -1.38 3.32 0.00 4.92 1.51 0.17 -2.33 117.35 123.55 1bwf s TYR 265 Ca 0.30 -3.03 0.00 0.00 -1.01 0.00 0.00 57.07 53.33 1bwf s TYR 265 Cb -0.13 -2.93 0.00 0.00 -0.11 0.00 0.00 41.96 38.79 1bwf s TYR 265 CO 0.22 -0.80 0.00 0.41 -1.11 0.00 0.00 175.55 174.27 1bwf n GLY 266 N 3.38 5.50 0.34 0.71 0.00 -1.26 -2.41 105.19 111.45 1bwf n GLY 266 Ca 0.05 -1.19 0.18 0.00 0.00 0.00 0.00 46.02 45.06 1bwf n GLY 266 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1bwf h THR 267 N 0.00 0.41 -1.82 2.61 2.02 -1.94 0.22 112.91 114.41 1bwf h THR 267 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1bwf h THR 267 Cb 0.00 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1bwf h THR 267 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1bwf n GLY 268 N -1.39 4.57 3.14 2.16 0.00 -1.26 -1.97 105.19 110.43 1bwf n GLY 268 Ca 0.02 -1.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.13 1bwf n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwf s PHE 270 N 0.41 0.48 -0.33 0.00 0.40 -0.99 0.25 117.98 118.20 1bwf s PHE 270 Ca -0.15 -0.09 -0.08 0.00 -0.60 0.00 0.00 56.93 56.01 1bwf s PHE 270 Cb -0.16 -0.71 0.02 0.00 0.51 0.00 0.00 43.02 42.67 1bwf s PHE 270 CO 0.06 -0.32 0.13 1.41 0.70 0.00 0.00 175.22 177.20 1bwf s MET 271 N 2.03 2.97 -0.02 0.44 1.75 -1.14 -0.24 119.30 125.08 1bwf s MET 271 Ca 0.04 -0.96 0.08 0.00 -1.25 0.00 0.00 55.69 53.61 1bwf s MET 271 Cb -0.13 -3.52 -0.02 0.00 2.84 0.00 0.00 34.83 34.00 1bwf s MET 271 CO -0.05 -0.55 -0.25 -0.51 -0.65 0.00 0.00 175.02 173.01 1bwf s LEU 272 N 1.51 2.08 -0.10 4.11 1.02 -0.63 -2.20 118.68 124.49 1bwf s LEU 272 Ca 0.02 -0.46 0.01 0.00 0.02 0.00 0.00 54.13 53.72 1bwf s LEU 272 Cb -0.18 -1.35 0.02 0.00 0.02 0.00 0.00 46.19 44.69 1bwf s LEU 272 CO 0.04 0.32 -0.13 -0.32 0.02 0.00 0.00 176.35 176.29 1bwf s MET 273 N -0.59 1.91 0.24 1.70 1.75 0.65 -2.37 119.30 122.58 1bwf s MET 273 Ca 0.09 -0.45 -0.30 0.00 -1.25 0.00 0.00 55.69 53.79 1bwf s MET 273 Cb -0.10 -1.69 -0.09 0.00 2.84 0.00 0.00 34.83 35.79 1bwf s MET 273 CO -0.01 -0.09 1.35 1.21 -0.65 0.00 0.00 175.02 176.83 1bwf s ASN 274 N 1.09 6.81 -0.09 1.11 3.84 0.25 0.19 114.94 128.13 1bwf s ASN 274 Ca -0.06 2.53 0.13 0.00 0.21 0.00 0.00 52.86 55.68 1bwf s ASN 274 Cb -0.14 -2.62 0.35 0.00 -0.55 0.00 0.00 41.25 38.28 1bwf s ASN 274 CO -0.02 -0.58 1.26 0.35 -2.79 0.00 0.00 177.10 175.33 1bwf n THR 275 N 2.19 1.66 0.00 -5.21 -2.24 0.33 -0.44 114.28 110.57 1bwf n THR 275 Ca 0.05 -1.57 0.00 0.00 -2.27 0.00 0.00 64.05 60.26 1bwf n THR 275 Cb 0.42 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1bwf n THR 275 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bwf n GLY 276 N -0.39 3.67 0.68 3.38 0.00 -1.22 -1.47 105.19 109.85 1bwf n GLY 276 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.18 1bwf n GLY 276 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bwf n GLU 277 N 14.00 1.52 -3.72 1.61 -0.58 -1.26 0.14 120.64 132.34 1bwf n GLU 277 Ca 0.00 -0.42 -0.12 0.00 -0.42 0.00 0.00 57.16 56.20 1bwf n GLU 277 Cb 0.00 -1.60 -0.12 0.00 -0.57 0.00 0.00 31.44 29.15 1bwf n GLU 277 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1bwf s LYS 278 N -1.24 0.27 -0.60 3.49 2.36 -0.54 -4.93 119.74 118.55 1bwf s LYS 278 Ca 0.07 0.58 -0.25 0.00 -2.55 0.00 0.00 55.97 53.83 1bwf s LYS 278 Cb 0.06 -0.06 0.04 0.00 -1.05 0.00 0.00 37.83 36.82 1bwf s LYS 278 CO 0.02 -0.15 1.02 0.00 1.55 0.00 0.00 175.35 177.80 1bwf s ALA 279 N 1.16 3.07 0.27 3.13 0.00 -1.26 -4.56 121.76 123.57 1bwf s ALA 279 Ca -0.08 -1.33 -0.12 0.00 0.00 0.00 0.00 51.96 50.43 1bwf s ALA 279 Cb -0.09 -3.87 -0.08 0.00 0.00 0.00 0.00 23.12 19.08 1bwf s ALA 279 CO -0.09 -2.62 0.62 0.54 0.00 0.00 0.00 175.76 174.22 1bwf s VAL 280 N 4.34 4.83 -0.17 0.00 0.11 -1.26 -5.07 120.40 123.19 1bwf s VAL 280 Ca 0.31 0.65 -0.20 0.00 -2.93 0.00 0.00 61.98 59.82 1bwf s VAL 280 Cb -0.12 -3.62 -0.03 0.00 -1.53 0.00 0.00 36.38 31.08 1bwf s VAL 280 CO 0.18 -0.12 0.56 -1.59 -3.33 0.00 0.00 175.10 170.80 1bwf s LYS 281 N -2.90 4.25 0.01 1.54 0.00 -1.26 -4.72 119.74 116.66 1bwf s LYS 281 Ca 0.50 0.53 -0.30 0.00 0.00 0.00 0.00 55.97 56.70 1bwf s LYS 281 Cb -0.11 -3.53 -0.06 0.00 0.00 0.00 0.00 37.83 34.13 1bwf s LYS 281 CO 0.20 -0.09 1.46 0.45 0.00 0.00 0.00 175.35 177.36 1bwf s SER 282 N 1.02 6.80 0.00 0.03 0.15 -1.26 -4.84 113.70 115.60 1bwf s SER 282 Ca 0.27 2.19 0.22 0.00 0.70 0.00 0.00 55.95 59.33 1bwf s SER 282 Cb -0.16 -2.56 -0.06 0.00 -1.71 0.00 0.00 66.02 61.53 1bwf s SER 282 CO 0.11 -0.76 1.02 -0.62 1.20 0.00 0.00 173.24 174.19 1bwf n GLU 283 N 5.44 0.99 -2.65 5.44 -0.58 -1.26 -4.61 120.64 123.41 1bwf n GLU 283 Ca 0.14 -0.75 -0.18 0.00 -0.42 0.00 0.00 57.16 55.95 1bwf n GLU 283 Cb 0.43 -1.47 0.01 0.00 -0.57 0.00 0.00 31.44 29.84 1bwf n GLU 283 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1bwf n ASN 284 N -0.38 2.85 -0.14 1.62 4.13 -1.26 -4.99 115.26 117.09 1bwf n ASN 284 Ca 0.08 -3.18 -0.02 0.00 1.68 0.00 0.00 54.58 53.13 1bwf n ASN 284 Cb 0.43 -0.51 -0.01 0.00 -1.54 0.00 0.00 39.78 38.15 1bwf n ASN 284 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bwf n GLY 285 N -0.21 0.50 3.97 7.41 0.00 -1.26 -4.83 105.19 110.77 1bwf n GLY 285 Ca 0.23 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1bwf n GLY 285 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bwf n LEU 286 N -0.21 0.00 -4.36 0.99 4.77 -1.26 -4.42 117.00 112.51 1bwf n LEU 286 Ca -0.02 -2.69 -0.30 0.00 -0.03 0.00 0.00 56.01 52.98 1bwf n LEU 286 Cb 0.16 -0.31 -0.14 0.00 -2.33 0.00 0.00 43.42 40.81 1bwf n LEU 286 CO 0.03 -0.68 -0.57 -0.76 -1.33 0.00 0.00 177.39 174.08 1bwf s LEU 287 N 0.00 2.22 -0.25 2.23 1.43 0.46 -4.72 118.68 120.05 1bwf s LEU 287 Ca 0.52 -0.65 -0.08 0.00 -1.03 0.00 0.00 54.13 52.90 1bwf s LEU 287 Cb -0.04 -1.25 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 1bwf s LEU 287 CO 0.33 0.23 0.09 -0.89 0.23 0.00 0.00 176.35 176.33 1bwf s THR 288 N -0.90 4.42 0.15 5.49 2.01 -0.04 0.11 115.64 126.90 1bwf s THR 288 Ca 0.12 -0.15 -0.03 0.00 0.31 0.00 0.00 61.69 61.95 1bwf s THR 288 Cb -0.10 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 1bwf s THR 288 CO 0.03 0.32 0.13 0.28 -0.69 0.00 0.00 174.62 174.70 1bwf s THR 289 N 1.63 0.07 -0.06 -0.82 -1.32 0.25 -4.30 115.64 111.09 1bwf s THR 289 Ca 0.06 -1.80 -0.24 0.00 -1.21 0.00 0.00 61.69 58.51 1bwf s THR 289 Cb -0.15 -2.08 -0.04 0.00 -1.51 0.00 0.00 72.50 68.72 1bwf s THR 289 CO 0.04 -0.33 0.71 -0.63 -2.21 0.00 0.00 174.62 172.20 1bwf s ILE 290 N -4.05 5.03 0.00 5.08 1.09 -1.26 -0.14 121.20 126.95 1bwf s ILE 290 Ca 0.25 1.47 0.00 0.00 -1.10 0.00 0.00 60.65 61.27 1bwf s ILE 290 Cb 0.06 -4.05 0.00 0.00 -1.06 0.00 0.00 42.46 37.41 1bwf s ILE 290 CO 0.03 0.26 0.00 0.00 -0.10 0.00 0.00 174.94 175.13 1bwf n ALA 291 N 3.73 0.00 -3.52 9.38 0.00 -0.76 -4.25 120.51 125.09 1bwf n ALA 291 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.09 1bwf n ALA 291 Cb 0.51 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.81 1bwf n ALA 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bwf s GLY 293 N 1.03 1.74 0.00 0.00 0.00 0.35 -4.77 107.32 105.67 1bwf s GLY 293 Ca -0.01 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.62 1bwf s GLY 293 CO -0.02 -0.36 0.38 -1.05 0.00 0.00 0.00 173.10 172.05 1bwf n PRO 294 N -3.77 0.01 0.00 2.90 -0.02 -1.26 -2.55 135.00 130.30 1bwf n PRO 294 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1bwf n PRO 294 Cb 0.60 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 1bwf n PRO 294 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1bwf n THR 295 N -0.87 0.00 0.00 3.45 -2.24 -1.26 -4.88 114.28 108.49 1bwf n THR 295 Ca 0.00 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1bwf n THR 295 Cb 0.00 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 1bwf n THR 295 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bwf n GLY 296 N 0.48 1.16 3.79 3.38 0.00 -1.06 -4.42 105.19 108.52 1bwf n GLY 296 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1bwf n GLY 296 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bwf s GLU 297 N -0.16 4.17 0.07 1.61 1.03 -1.26 -0.80 118.70 123.37 1bwf s GLU 297 Ca 0.00 0.56 -0.25 0.00 0.03 0.00 0.00 54.97 55.31 1bwf s GLU 297 Cb 0.00 -3.30 -0.13 0.00 -0.80 0.00 0.00 34.13 29.89 1bwf s GLU 297 CO 0.00 0.48 0.58 0.28 -1.33 0.00 0.00 175.26 175.27 1bwf n VAL 298 N 2.44 0.74 -4.15 1.83 0.31 -1.26 0.13 118.33 118.37 1bwf n VAL 298 Ca -0.10 -0.19 -0.15 0.00 -0.01 0.00 0.00 64.34 63.89 1bwf n VAL 298 Cb 0.51 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.39 1bwf n VAL 298 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1bwf s ASN 299 N -0.37 0.98 0.19 4.52 0.01 -0.80 -4.32 114.94 115.16 1bwf s ASN 299 Ca 0.56 -1.52 0.08 0.00 -0.71 0.00 0.00 52.86 51.27 1bwf s ASN 299 Cb -0.80 0.60 -0.05 0.00 0.41 0.00 0.00 41.25 41.41 1bwf s ASN 299 CO 0.41 -1.17 -0.15 -0.31 -1.51 0.00 0.00 177.10 174.37 1bwf s TYR 300 N -3.35 1.71 -0.14 2.20 2.02 0.36 -1.82 117.35 118.33 1bwf s TYR 300 Ca 0.34 -0.55 -0.29 0.00 -0.37 0.00 0.00 57.07 56.19 1bwf s TYR 300 Cb 0.01 -0.81 0.09 0.00 -0.40 0.00 0.00 41.96 40.85 1bwf s TYR 300 CO 0.21 0.34 0.80 0.00 -1.57 0.00 0.00 175.55 175.33 1bwf s ALA 301 N -2.77 -1.83 -0.37 3.71 0.00 0.80 0.12 121.76 121.42 1bwf s ALA 301 Ca 0.21 1.56 -0.21 0.00 0.00 0.00 0.00 51.96 53.51 1bwf s ALA 301 Cb -0.02 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.60 1bwf s ALA 301 CO 0.07 -0.34 0.68 -0.51 0.00 0.00 0.00 175.76 175.66 1bwf s LEU 302 N -0.77 4.24 -0.02 0.00 1.43 0.13 0.86 118.68 124.54 1bwf s LEU 302 Ca -0.06 0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.27 1bwf s LEU 302 Cb -0.01 -2.85 -0.02 0.00 0.03 0.00 0.00 46.19 43.34 1bwf s LEU 302 CO 0.05 -0.66 -0.23 -0.70 0.23 0.00 0.00 176.35 175.04 1bwf s GLU 303 N 2.84 1.91 -0.29 1.70 2.12 0.12 -0.25 118.70 126.85 1bwf s GLU 303 Ca 0.26 -0.82 0.01 0.00 0.36 0.00 0.00 54.97 54.78 1bwf s GLU 303 Cb -0.14 -1.82 0.06 0.00 0.26 0.00 0.00 34.13 32.49 1bwf s GLU 303 CO 0.16 0.48 -0.03 0.20 -0.54 0.00 0.00 175.26 175.53 1bwf s GLY 304 N -0.50 1.74 -0.17 -1.50 0.00 -0.93 -0.40 107.32 105.55 1bwf s GLY 304 Ca 0.08 -1.84 -0.09 0.00 0.00 0.00 0.00 44.72 42.87 1bwf s GLY 304 CO -0.01 0.69 0.13 0.00 0.00 0.00 0.00 173.10 173.91 1bwf s ALA 305 N 1.16 3.72 -0.24 3.20 0.00 -1.26 -2.90 121.76 125.45 1bwf s ALA 305 Ca -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1bwf s ALA 305 Cb -0.20 -2.07 0.03 0.00 0.00 0.00 0.00 23.12 20.88 1bwf s ALA 305 CO -0.03 0.31 -0.10 0.08 0.00 0.00 0.00 175.76 176.02 1bwf s VAL 306 N -0.10 2.53 0.15 0.00 1.01 0.14 -1.24 120.40 122.89 1bwf s VAL 306 Ca 0.10 -1.15 -0.15 0.00 0.00 0.00 0.00 61.98 60.78 1bwf s VAL 306 Cb -0.11 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 34.00 1bwf s VAL 306 CO 0.00 0.22 1.74 -0.26 0.00 0.00 0.00 175.10 176.80 1bwf h PHE 307 N 7.94 0.64 -3.49 5.22 0.04 -1.84 0.05 116.94 125.50 1bwf h PHE 307 Ca -0.32 -0.02 -0.67 0.00 2.80 0.00 0.00 57.97 59.76 1bwf h PHE 307 Cb 1.10 -0.20 -0.28 0.00 2.20 0.00 0.00 35.95 38.77 1bwf h PHE 307 CO 0.57 0.50 -0.70 -1.64 -0.60 0.00 0.00 178.31 176.44 1bwf s MET 308 N -5.77 3.20 0.00 1.51 -1.94 -1.26 -4.25 119.30 110.79 1bwf s MET 308 Ca -0.13 -0.75 0.00 0.00 -1.71 0.00 0.00 55.69 53.09 1bwf s MET 308 Cb 0.11 -3.11 0.00 0.00 2.01 0.00 0.00 34.83 33.84 1bwf s MET 308 CO 0.75 -0.30 0.00 0.00 -0.01 0.00 0.00 175.02 175.46 1bwf n ALA 309 N 4.79 1.62 -0.21 3.03 0.00 -0.83 -4.77 120.51 124.15 1bwf n ALA 309 Ca -0.17 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.26 1bwf n ALA 309 Cb 0.49 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.03 1bwf n ALA 309 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1bwf h GLY 310 N 0.00 0.87 -0.32 0.00 0.00 -0.36 -1.12 103.07 102.14 1bwf h GLY 310 Ca 0.00 -0.19 0.22 0.00 0.00 0.00 0.00 47.33 47.36 1bwf h GLY 310 CO 0.00 0.09 0.28 0.00 0.00 0.00 0.00 176.54 176.91 1bwf h ALA 311 N 1.35 1.29 -0.34 3.60 0.00 -1.70 0.23 119.26 123.70 1bwf h ALA 311 Ca 0.28 0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.41 1bwf h ALA 311 Cb 0.24 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1bwf h ALA 311 CO -0.22 -0.41 0.18 0.66 0.00 0.00 0.00 179.25 179.46 1bwf h SER 312 N 0.28 0.29 -0.90 0.00 4.64 -1.50 0.30 113.55 116.66 1bwf h SER 312 Ca 0.54 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.85 1bwf h SER 312 Cb 1.05 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.05 1bwf h SER 312 CO -0.60 0.21 0.48 0.40 -0.87 0.00 0.00 176.83 176.45 1bwf h ILE 313 N 0.38 1.26 0.00 0.95 5.03 -0.48 -0.10 117.51 124.55 1bwf h ILE 313 Ca 0.14 -0.66 -0.06 0.00 -0.12 0.00 0.00 64.86 64.15 1bwf h ILE 313 Cb 0.03 0.06 -0.01 0.00 -3.03 0.00 0.00 36.82 33.87 1bwf h ILE 313 CO -0.08 0.30 -0.30 1.56 -0.68 0.00 0.00 178.15 178.95 1bwf h GLN 314 N 1.26 0.00 -0.55 2.37 4.20 0.45 -0.34 115.11 122.50 1bwf h GLN 314 Ca 0.31 0.00 0.01 0.00 0.06 0.00 0.00 58.65 59.03 1bwf h GLN 314 Cb 0.04 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1bwf h GLN 314 CO -0.05 0.30 0.36 2.35 -0.67 0.00 0.00 178.83 181.12 1bwf h TRP 315 N 0.00 0.69 -0.33 2.96 7.01 0.78 3.44 115.95 130.51 1bwf h TRP 315 Ca -0.00 0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.07 1bwf h TRP 315 Cb 0.58 -0.23 -0.05 0.00 -2.10 0.00 0.00 29.16 27.35 1bwf h TRP 315 CO 0.00 0.44 0.01 -0.07 -2.79 0.00 0.00 178.44 176.03 1bwf h LEU 316 N 0.75 -0.11 0.03 0.65 3.38 -0.18 0.20 115.31 120.02 1bwf h LEU 316 Ca 0.20 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.19 1bwf h LEU 316 Cb -0.08 0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1bwf h LEU 316 CO -0.04 -0.02 -0.23 -0.09 0.09 0.00 0.00 178.44 178.14 1bwf h ARG 317 N 0.11 0.11 0.08 1.13 2.43 0.20 0.71 114.38 119.15 1bwf h ARG 317 Ca 0.16 -0.16 -0.25 0.00 -0.81 0.00 0.00 59.98 58.92 1bwf h ARG 317 Cb 0.21 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1bwf h ARG 317 CO -0.26 1.00 -1.11 -0.44 -1.51 0.00 0.00 179.97 177.65 1bwf h ASP 318 N -0.70 0.42 0.00 -3.80 3.32 0.63 -3.29 116.42 113.01 1bwf h ASP 318 Ca -0.04 -0.40 -0.29 0.00 0.02 0.00 0.00 57.03 56.32 1bwf h ASP 318 Cb 1.10 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 40.46 1bwf h ASP 318 CO 0.04 1.27 -2.10 -0.62 -1.72 0.00 0.00 179.24 176.12 1bwf n GLU 319 N -3.60 0.84 0.09 3.56 4.71 0.63 -4.64 120.64 122.23 1bwf n GLU 319 Ca -0.07 0.07 -0.20 0.00 -0.01 0.00 0.00 57.16 56.95 1bwf n GLU 319 Cb 0.95 -1.39 -0.15 0.00 -1.01 0.00 0.00 31.44 29.84 1bwf n GLU 319 CO 0.00 0.00 0.00 0.52 0.09 0.00 0.00 177.13 177.74 1bwf h MET 320 N 0.00 0.35 -1.31 3.49 2.86 -1.40 -3.48 114.93 115.44 1bwf h MET 320 Ca -0.43 -0.59 -0.19 0.00 -2.06 0.00 0.00 59.70 56.43 1bwf h MET 320 Cb 1.77 0.22 -0.01 0.00 0.06 0.00 0.00 31.60 33.64 1bwf h MET 320 CO -0.04 1.24 -0.24 1.63 1.06 0.00 0.00 176.91 180.57 1bwf n LYS 321 N -3.55 -0.76 0.16 1.72 5.02 0.21 -4.90 118.16 116.06 1bwf n LYS 321 Ca -0.17 0.49 0.13 0.00 -2.02 0.00 0.00 58.31 56.74 1bwf n LYS 321 Cb 1.06 -4.51 0.44 0.00 -0.02 0.00 0.00 35.03 32.00 1bwf n LYS 321 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1bwf h LEU 322 N 0.00 0.00 -8.69 -0.35 3.38 -1.71 -3.45 115.31 104.48 1bwf h LEU 322 Ca -0.23 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.41 1bwf h LEU 322 Cb 1.13 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.76 1bwf h LEU 322 CO 0.27 0.00 -0.44 0.27 0.09 0.00 0.00 178.44 178.63 1bwf s ILE 323 N -3.28 0.00 -0.00 1.22 -4.36 -1.25 -5.04 121.20 108.49 1bwf s ILE 323 Ca 0.06 -1.87 0.00 0.00 -0.26 0.00 0.00 60.65 58.58 1bwf s ILE 323 Cb 0.10 -2.51 -0.00 0.00 1.25 0.00 0.00 42.46 41.29 1bwf s ILE 323 CO 0.54 0.00 0.00 0.59 0.24 0.00 0.00 174.94 176.31 1bwf n ASN 324 N -1.09 4.97 -4.03 4.36 3.02 -1.26 -4.56 115.26 116.67 1bwf n ASN 324 Ca 0.04 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.36 1bwf n ASN 324 Cb 0.63 0.77 -0.16 0.00 -0.61 0.00 0.00 39.78 40.41 1bwf n ASN 324 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1bwf s ASP 325 N -2.48 1.63 0.43 6.41 1.11 -1.26 -5.00 116.67 117.51 1bwf s ASP 325 Ca -0.00 -0.27 0.09 0.00 0.18 0.00 0.00 52.55 52.55 1bwf s ASP 325 Cb 0.00 -0.62 0.92 0.00 1.07 0.00 0.00 42.92 44.29 1bwf s ASP 325 CO 0.01 0.06 2.05 0.00 1.18 0.00 0.00 175.17 178.46 1bwf h ALA 326 N 6.69 1.72 -0.82 5.23 0.00 -1.96 -0.60 119.26 129.52 1bwf h ALA 326 Ca -0.32 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.60 1bwf h ALA 326 Cb 1.18 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.74 1bwf h ALA 326 CO 0.48 0.24 -0.56 -0.92 0.00 0.00 0.00 179.25 178.48 1bwf h TYR 327 N 0.39 -1.79 -1.15 0.00 3.20 -2.00 -1.99 116.97 113.63 1bwf h TYR 327 Ca 0.10 0.11 0.32 0.00 3.14 0.00 0.00 58.73 62.41 1bwf h TYR 327 Cb 0.04 0.89 -0.09 0.00 1.54 0.00 0.00 36.73 39.10 1bwf h TYR 327 CO 0.00 -0.39 0.76 -0.44 -1.64 0.00 0.00 178.16 176.45 1bwf h ASP 328 N -0.10 0.31 -1.00 -2.11 3.32 -1.51 -2.98 116.42 112.35 1bwf h ASP 328 Ca 0.13 0.08 0.40 0.00 0.02 0.00 0.00 57.03 57.67 1bwf h ASP 328 Cb 0.44 0.04 -0.16 0.00 0.22 0.00 0.00 39.33 39.86 1bwf h ASP 328 CO -0.82 0.01 0.56 -1.54 -1.72 0.00 0.00 179.24 175.72 1bwf n SER 329 N -4.55 0.31 -0.03 6.45 3.41 -0.75 -1.65 113.62 116.82 1bwf n SER 329 Ca 0.28 1.52 -0.13 0.00 -0.26 0.00 0.00 58.87 60.28 1bwf n SER 329 Cb 1.09 -0.74 -0.09 0.00 -0.26 0.00 0.00 64.21 64.21 1bwf n SER 329 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1bwf h GLU 330 N 0.00 0.18 -0.88 4.33 4.81 -1.72 -2.42 114.58 118.87 1bwf h GLU 330 Ca 0.80 -0.09 0.10 0.00 -0.13 0.00 0.00 59.36 60.04 1bwf h GLU 330 Cb 2.20 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 31.52 1bwf h GLU 330 CO -0.68 0.62 0.57 -0.92 -0.73 0.00 0.00 179.01 177.87 1bwf h TYR 331 N -0.26 0.93 -0.13 0.92 3.20 -1.57 0.77 116.97 120.84 1bwf h TYR 331 Ca 0.01 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 1bwf h TYR 331 Cb 0.59 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.55 1bwf h TYR 331 CO 0.09 0.42 -0.11 0.74 -1.64 0.00 0.00 178.16 177.66 1bwf h PHE 332 N 0.85 0.35 -0.35 -3.82 0.04 -1.48 -2.73 116.94 109.81 1bwf h PHE 332 Ca 0.41 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 61.07 1bwf h PHE 332 Cb 0.44 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 1bwf h PHE 332 CO -0.00 0.68 0.16 0.00 -0.60 0.00 0.00 178.31 178.55 1bwf h ALA 333 N 0.61 1.62 0.00 2.45 0.00 -0.62 -1.03 119.26 122.30 1bwf h ALA 333 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1bwf h ALA 333 Cb 0.62 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1bwf h ALA 333 CO 0.03 0.31 -0.18 1.79 0.00 0.00 0.00 179.25 181.20 1bwf h THR 334 N 0.49 0.00 -0.10 0.00 1.35 0.49 -3.09 112.91 112.04 1bwf h THR 334 Ca 0.13 -0.55 -0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1bwf h THR 334 Cb 0.07 1.44 -0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1bwf h THR 334 CO -0.02 0.00 0.06 0.11 -0.25 0.00 0.00 175.52 175.42 1bwf h LYS 335 N 0.00 0.14 -6.98 4.72 1.79 -0.85 -3.42 116.57 111.97 1bwf h LYS 335 Ca 0.00 -0.02 -0.48 0.00 -2.18 0.00 0.00 60.65 57.97 1bwf h LYS 335 Cb 0.78 -0.03 0.04 0.00 -1.58 0.00 0.00 32.23 31.44 1bwf h LYS 335 CO 0.00 0.18 0.12 0.14 -1.08 0.00 0.00 179.45 178.81 1bwf s VAL 336 N -5.86 4.45 -0.01 0.50 -7.23 -1.17 -4.99 120.40 106.09 1bwf s VAL 336 Ca -0.13 0.09 0.11 0.00 -1.81 0.00 0.00 61.98 60.24 1bwf s VAL 336 Cb 0.07 -3.71 -0.13 0.00 0.56 0.00 0.00 36.38 33.16 1bwf s VAL 336 CO 0.68 -0.70 1.15 1.56 -0.31 0.00 0.00 175.10 177.49 1bwf h GLN 337 N 0.10 0.00 -3.29 4.82 4.20 -1.83 -3.48 115.11 115.64 1bwf h GLN 337 Ca -0.46 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.24 1bwf h GLN 337 Cb 1.22 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.95 1bwf h GLN 337 CO 0.61 0.69 0.09 0.54 -0.67 0.00 0.00 178.83 180.10 1bwf s ASN 338 N -6.42 -0.09 0.00 1.46 2.20 -1.26 -5.03 114.94 105.80 1bwf s ASN 338 Ca 0.00 -0.85 0.16 0.00 -0.94 0.00 0.00 52.86 51.23 1bwf s ASN 338 Cb 0.09 0.70 0.82 0.00 -2.00 0.00 0.00 41.25 40.85 1bwf s ASN 338 CO 0.80 -1.33 1.45 1.07 -2.94 0.00 0.00 177.10 176.15 1bwf n THR 339 N -0.45 0.49 -1.39 0.54 5.66 -1.26 -4.84 114.28 113.03 1bwf n THR 339 Ca -0.04 0.12 -0.13 0.00 -3.05 0.00 0.00 64.05 60.95 1bwf n THR 339 Cb 0.60 -0.86 -0.06 0.00 -1.55 0.00 0.00 70.33 68.46 1bwf n THR 339 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1bwf n ASN 340 N -1.26 -4.81 0.00 1.09 5.15 -1.26 -2.19 115.26 111.98 1bwf n ASN 340 Ca 0.08 0.33 0.00 0.00 -0.60 0.00 0.00 54.58 54.39 1bwf n ASN 340 Cb 0.12 -3.50 0.00 0.00 -0.53 0.00 0.00 39.78 35.87 1bwf n ASN 340 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1bwf n GLY 341 N -1.07 0.88 3.78 8.20 0.00 -1.26 -4.92 105.19 110.81 1bwf n GLY 341 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 1bwf n GLY 341 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bwf s VAL 342 N -2.54 3.34 -0.08 1.61 1.01 -0.93 -4.55 120.40 118.26 1bwf s VAL 342 Ca 0.00 0.86 -0.04 0.00 0.00 0.00 0.00 61.98 62.80 1bwf s VAL 342 Cb 0.00 -3.36 0.04 0.00 0.00 0.00 0.00 36.38 33.06 1bwf s VAL 342 CO 0.00 -0.15 0.19 -0.31 0.00 0.00 0.00 175.10 174.83 1bwf s TYR 343 N -1.79 -0.24 -0.17 5.22 1.51 -0.42 -4.88 117.35 116.58 1bwf s TYR 343 Ca 0.70 0.62 -0.06 0.00 -1.01 0.00 0.00 57.07 57.32 1bwf s TYR 343 Cb -0.22 -0.02 -0.03 0.00 -0.11 0.00 0.00 41.96 41.58 1bwf s TYR 343 CO 0.26 -0.19 0.01 0.08 -1.11 0.00 0.00 175.55 174.60 1bwf s VAL 344 N 1.16 4.32 -0.28 0.71 1.01 -1.26 0.15 120.40 126.21 1bwf s VAL 344 Ca -0.09 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1bwf s VAL 344 Cb -0.10 -2.92 0.05 0.00 0.00 0.00 0.00 36.38 33.41 1bwf s VAL 344 CO -0.07 0.47 -0.06 -0.69 0.00 0.00 0.00 175.10 174.75 1bwf s VAL 345 N 0.41 2.53 -0.30 2.92 1.01 0.35 -4.73 120.40 122.58 1bwf s VAL 345 Ca -0.00 -1.51 -0.04 0.00 0.00 0.00 0.00 61.98 60.42 1bwf s VAL 345 Cb -0.13 -2.46 -0.11 0.00 0.00 0.00 0.00 36.38 33.67 1bwf s VAL 345 CO 0.02 -0.05 2.10 -0.81 0.00 0.00 0.00 175.10 176.35 1bwf n PRO 346 N 4.52 1.36 -1.33 2.72 -0.04 -1.26 -0.99 135.00 139.97 1bwf n PRO 346 Ca -0.14 -0.83 -0.29 0.00 -0.04 0.00 0.00 63.50 62.20 1bwf n PRO 346 Cb 0.43 -1.99 0.11 0.00 -0.04 0.00 0.00 33.50 32.00 1bwf n PRO 346 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bwf n ALA 347 N 3.28 5.93 0.04 0.55 0.00 -1.26 -4.47 120.51 124.57 1bwf n ALA 347 Ca 0.29 -3.34 0.21 0.00 0.00 0.00 0.00 53.44 50.61 1bwf n ALA 347 Cb 0.35 -1.51 0.63 0.00 0.00 0.00 0.00 19.45 18.92 1bwf n ALA 347 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1bwf h PHE 348 N 1.70 0.00 0.00 0.00 -1.00 -1.86 0.70 116.94 116.49 1bwf h PHE 348 Ca 0.57 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.33 1bwf h PHE 348 Cb 1.45 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 40.95 1bwf h PHE 348 CO 1.41 0.00 -0.42 0.25 -1.61 0.00 0.00 178.31 177.94 1bwf n THR 349 N -3.43 1.36 -1.44 -1.55 -2.24 -1.26 -4.74 114.28 100.98 1bwf n THR 349 Ca 0.11 -1.99 0.01 0.00 -2.27 0.00 0.00 64.05 59.90 1bwf n THR 349 Cb 0.88 0.09 -0.00 0.00 -2.10 0.00 0.00 70.33 69.20 1bwf n THR 349 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bwf n GLY 350 N -0.77 -2.17 0.00 3.38 0.00 0.18 -4.84 105.19 100.97 1bwf n GLY 350 Ca 0.13 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1bwf n GLY 350 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bwf n LEU 351 N 0.00 1.08 0.00 0.99 7.99 0.80 -4.56 117.00 123.30 1bwf n LEU 351 Ca 0.00 0.09 0.00 0.00 -0.01 0.00 0.00 56.01 56.09 1bwf n LEU 351 Cb 0.03 -0.17 0.00 0.00 -0.11 0.00 0.00 43.42 43.17 1bwf n LEU 351 CO 0.00 -0.17 0.00 0.61 -1.51 0.00 0.00 177.39 176.32 1bwf n GLY 352 N 2.26 -1.55 3.80 -0.72 0.00 -1.26 -4.38 105.19 103.33 1bwf n GLY 352 Ca 0.00 -2.08 -0.32 0.00 0.00 0.00 0.00 46.02 43.63 1bwf n GLY 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwf s ALA 353 N -2.00 2.57 -0.77 4.61 0.00 -0.37 0.35 121.76 126.16 1bwf s ALA 353 Ca 0.00 0.26 0.16 0.00 0.00 0.00 0.00 51.96 52.38 1bwf s ALA 353 Cb 0.00 -3.23 0.70 0.00 0.00 0.00 0.00 23.12 20.59 1bwf s ALA 353 CO 0.00 -1.25 1.50 -0.35 0.00 0.00 0.00 175.76 175.66 1bwf n PRO 354 N -2.86 0.07 0.33 0.00 -0.04 -1.26 -4.76 135.00 126.49 1bwf n PRO 354 Ca 0.09 0.37 -0.13 0.00 -0.04 0.00 0.00 63.50 63.78 1bwf n PRO 354 Cb 0.53 -1.66 -0.06 0.00 -0.04 0.00 0.00 33.50 32.27 1bwf n PRO 354 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1bwf h TYR 355 N 0.00 -0.81 -4.12 0.54 0.05 -0.92 -3.41 116.97 108.29 1bwf h TYR 355 Ca 0.00 -0.02 -0.19 0.00 0.05 0.00 0.00 58.73 58.57 1bwf h TYR 355 Cb 0.23 0.27 0.10 0.00 1.01 0.00 0.00 36.73 38.34 1bwf h TYR 355 CO 0.00 -0.50 -0.45 0.91 -1.05 0.00 0.00 178.16 177.07 1bwf n TRP 356 N -5.00 -1.27 -3.78 4.88 7.02 1.09 -4.75 117.44 115.62 1bwf n TRP 356 Ca -0.11 0.54 -0.37 0.00 -1.02 0.00 0.00 57.50 56.54 1bwf n TRP 356 Cb 0.34 -3.76 -0.13 0.00 -2.42 0.00 0.00 31.31 25.35 1bwf n TRP 356 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1bwf s ASP 357 N -3.75 5.23 0.00 -0.99 -1.08 -1.26 -4.68 116.67 110.14 1bwf s ASP 357 Ca 0.02 -1.23 0.26 0.00 -0.52 0.00 0.00 52.55 51.07 1bwf s ASP 357 Cb -0.00 -1.84 1.27 0.00 -1.46 0.00 0.00 42.92 40.89 1bwf s ASP 357 CO 0.42 -0.33 1.86 -0.81 0.52 0.00 0.00 175.17 176.83 1bwf n PRO 358 N 4.76 0.32 -0.01 4.34 -0.04 -1.26 -0.14 135.00 142.97 1bwf n PRO 358 Ca -0.12 0.05 0.10 0.00 -0.04 0.00 0.00 63.50 63.49 1bwf n PRO 358 Cb 0.44 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.25 1bwf n PRO 358 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1bwf n TYR 359 N -1.31 0.00 -1.51 0.54 4.01 -1.26 -4.58 117.16 113.05 1bwf n TYR 359 Ca 0.11 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.41 1bwf n TYR 359 Cb 0.21 -0.31 -0.01 0.00 -0.31 0.00 0.00 39.34 38.92 1bwf n TYR 359 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bwf n ALA 360 N -1.96 -1.21 -2.59 -0.72 0.00 -1.19 0.65 120.51 113.49 1bwf n ALA 360 Ca -0.01 0.33 -0.20 0.00 0.00 0.00 0.00 53.44 53.56 1bwf n ALA 360 Cb 0.46 -1.85 -0.12 0.00 0.00 0.00 0.00 19.45 17.94 1bwf n ALA 360 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1bwf s ARG 361 N -1.44 0.98 0.73 0.00 1.81 -1.24 -2.52 118.95 117.27 1bwf s ARG 361 Ca 0.61 -1.11 -0.15 0.00 -1.72 0.00 0.00 55.73 53.36 1bwf s ARG 361 Cb -0.72 -1.01 0.04 0.00 -0.45 0.00 0.00 34.95 32.81 1bwf s ARG 361 CO 0.58 0.22 1.19 0.20 -0.68 0.00 0.00 175.30 176.81 1bwf s GLY 362 N -2.04 2.26 0.10 -3.53 0.00 -0.83 -4.52 107.32 98.76 1bwf s GLY 362 Ca 0.04 0.80 -0.25 0.00 0.00 0.00 0.00 44.72 45.31 1bwf s GLY 362 CO 0.03 1.20 0.68 0.00 0.00 0.00 0.00 173.10 175.01 1bwf s ALA 363 N -2.10 -1.67 0.01 3.20 0.00 -0.16 -4.91 121.76 116.12 1bwf s ALA 363 Ca 0.72 0.70 0.07 0.00 0.00 0.00 0.00 51.96 53.45 1bwf s ALA 363 Cb -0.27 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 1bwf s ALA 363 CO 0.46 -0.71 -0.22 0.42 0.00 0.00 0.00 175.76 175.71 1bwf s ILE 364 N -3.37 2.47 0.09 0.00 1.01 -1.26 0.13 121.20 120.27 1bwf s ILE 364 Ca 0.01 -1.13 0.03 0.00 0.00 0.00 0.00 60.65 59.56 1bwf s ILE 364 Cb -0.01 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 1bwf s ILE 364 CO -0.10 0.46 -0.09 -0.36 0.00 0.00 0.00 174.94 174.85 1bwf s PHE 365 N -0.77 0.99 -0.72 3.97 0.08 0.40 -4.91 117.98 117.02 1bwf s PHE 365 Ca 0.12 -0.68 -0.05 0.00 0.12 0.00 0.00 56.93 56.44 1bwf s PHE 365 Cb -0.10 -0.55 0.01 0.00 -0.57 0.00 0.00 43.02 41.80 1bwf s PHE 365 CO 0.02 -0.03 0.63 0.41 -0.10 0.00 0.00 175.22 176.14 1bwf n GLY 366 N 0.57 0.15 3.76 4.36 0.00 -1.26 -1.30 105.19 111.48 1bwf n GLY 366 Ca -0.16 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 1bwf n GLY 366 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bwf s LEU 367 N -4.35 4.43 0.01 0.99 1.43 -1.26 -4.40 118.68 115.52 1bwf s LEU 367 Ca 0.30 2.38 0.00 0.00 -1.03 0.00 0.00 54.13 55.78 1bwf s LEU 367 Cb -0.13 -3.74 -0.01 0.00 0.03 0.00 0.00 46.19 42.33 1bwf s LEU 367 CO 0.39 -0.37 -0.02 -0.89 0.23 0.00 0.00 176.35 175.69 1bwf s THR 368 N -1.24 0.06 0.47 5.49 2.01 -1.26 -5.05 115.64 116.13 1bwf s THR 368 Ca 0.49 -0.49 0.28 0.00 0.31 0.00 0.00 61.69 62.28 1bwf s THR 368 Cb -0.33 -0.15 0.47 0.00 0.01 0.00 0.00 72.50 72.50 1bwf s THR 368 CO 0.43 -0.26 1.79 -0.09 -0.69 0.00 0.00 174.62 175.80 1bwf h ARG 369 N 5.35 0.18 -0.19 4.92 2.43 -2.01 0.18 114.38 125.23 1bwf h ARG 369 Ca -0.28 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1bwf h ARG 369 Cb 1.21 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1bwf h ARG 369 CO 0.46 0.12 0.00 0.41 -1.51 0.00 0.00 179.97 179.44 1bwf n GLY 370 N -1.62 0.33 3.78 2.80 0.00 -1.26 -4.90 105.19 104.31 1bwf n GLY 370 Ca 0.25 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 1bwf n GLY 370 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bwf s VAL 371 N -1.76 3.81 0.35 1.61 1.01 0.64 -5.06 120.40 121.01 1bwf s VAL 371 Ca 0.31 1.49 0.04 0.00 0.00 0.00 0.00 61.98 63.82 1bwf s VAL 371 Cb 0.17 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1bwf s VAL 371 CO 0.25 0.11 0.13 0.54 0.00 0.00 0.00 175.10 176.13 1bwf s ASN 372 N -1.45 2.23 0.40 3.32 2.20 -1.26 -4.96 114.94 115.41 1bwf s ASN 372 Ca 0.53 -1.58 0.22 0.00 -0.94 0.00 0.00 52.86 51.09 1bwf s ASN 372 Cb -0.23 0.36 1.22 0.00 -2.00 0.00 0.00 41.25 40.60 1bwf s ASN 372 CO 0.29 -0.86 1.69 0.00 -2.94 0.00 0.00 177.10 175.28 1bwf h ALA 373 N 2.01 2.35 0.07 3.54 0.00 -1.98 0.42 119.26 125.67 1bwf h ALA 373 Ca -0.35 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1bwf h ALA 373 Cb 1.26 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1bwf h ALA 373 CO 0.57 -0.90 -0.03 -0.91 0.00 0.00 0.00 179.25 177.98 1bwf h ASN 374 N 0.26 -0.08 -0.39 0.00 4.21 -1.96 0.25 115.58 117.87 1bwf h ASN 374 Ca 0.72 -0.25 0.05 0.00 1.21 0.00 0.00 56.30 58.03 1bwf h ASN 374 Cb 1.96 0.02 -0.08 0.00 -1.12 0.00 0.00 38.32 39.10 1bwf h ASN 374 CO -0.42 0.21 -0.52 0.45 -1.29 0.00 0.00 177.43 175.86 1bwf h HIS 375 N -0.37 -1.57 -0.82 1.19 3.86 -0.56 0.25 115.15 117.13 1bwf h HIS 375 Ca -0.01 0.08 0.16 0.00 -1.16 0.00 0.00 60.37 59.44 1bwf h HIS 375 Cb 0.32 0.74 -0.16 0.00 1.06 0.00 0.00 27.41 29.38 1bwf h HIS 375 CO 0.02 -0.48 -0.22 0.82 0.86 0.00 0.00 177.93 178.93 1bwf h ILE 376 N -0.39 0.17 0.58 2.45 1.08 -0.81 -0.54 117.51 120.05 1bwf h ILE 376 Ca 0.09 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.54 1bwf h ILE 376 Cb 0.60 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 1bwf h ILE 376 CO -0.58 0.00 -0.40 0.40 -0.69 0.00 0.00 178.15 176.87 1bwf h ILE 377 N -0.01 0.18 -0.61 -0.67 2.04 0.24 -1.99 117.51 116.69 1bwf h ILE 377 Ca 0.39 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.34 1bwf h ILE 377 Cb 0.60 0.18 -0.11 0.00 -0.74 0.00 0.00 36.82 36.76 1bwf h ILE 377 CO -0.85 0.00 -0.40 -0.09 0.00 0.00 0.00 178.15 176.81 1bwf h ARG 378 N -0.95 -0.19 -0.85 2.37 2.43 0.08 0.23 114.38 117.50 1bwf h ARG 378 Ca -0.07 0.01 0.19 0.00 -0.81 0.00 0.00 59.98 59.31 1bwf h ARG 378 Cb 0.78 0.04 -0.12 0.00 -0.42 0.00 0.00 29.97 30.26 1bwf h ARG 378 CO 0.04 -0.12 0.34 0.00 -1.51 0.00 0.00 179.97 178.71 1bwf h ALA 379 N 0.77 1.28 -0.30 2.80 0.00 -0.92 0.24 119.26 123.13 1bwf h ALA 379 Ca 0.20 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.32 1bwf h ALA 379 Cb 0.56 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1bwf h ALA 379 CO -0.70 -0.30 0.01 1.15 0.00 0.00 0.00 179.25 179.41 1bwf h THR 380 N 0.40 0.80 -0.05 0.00 2.02 0.19 0.36 112.91 116.63 1bwf h THR 380 Ca 0.51 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.65 1bwf h THR 380 Cb 0.91 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1bwf h THR 380 CO -0.50 0.02 0.03 -0.07 0.37 0.00 0.00 175.52 175.36 1bwf h LEU 381 N 0.11 0.06 -0.83 2.58 3.38 0.12 -2.31 115.31 118.41 1bwf h LEU 381 Ca 0.14 -0.07 0.21 0.00 0.09 0.00 0.00 57.88 58.25 1bwf h LEU 381 Cb 0.18 -0.01 -0.13 0.00 0.09 0.00 0.00 40.66 40.78 1bwf h LEU 381 CO -0.23 0.11 0.18 -0.33 0.09 0.00 0.00 178.44 178.26 1bwf h GLU 382 N 0.00 0.20 -0.83 1.13 5.08 0.45 0.22 114.58 120.82 1bwf h GLU 382 Ca 0.02 -0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.53 1bwf h GLU 382 Cb 0.06 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.16 1bwf h GLU 382 CO -0.00 0.13 0.38 0.66 -1.00 0.00 0.00 179.01 179.18 1bwf h SER 383 N 0.20 0.40 -0.79 1.42 4.64 0.23 0.27 113.55 119.92 1bwf h SER 383 Ca 0.50 0.11 0.18 0.00 -0.47 0.00 0.00 61.79 62.12 1bwf h SER 383 Cb 0.95 0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 63.06 1bwf h SER 383 CO -0.63 0.13 0.54 0.40 -0.87 0.00 0.00 176.83 176.39 1bwf h ILE 384 N 0.51 0.71 -0.01 0.95 2.04 -0.55 -0.37 117.51 120.79 1bwf h ILE 384 Ca 0.47 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 66.20 1bwf h ILE 384 Cb 0.75 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1bwf h ILE 384 CO -0.42 0.05 -0.15 0.00 0.00 0.00 0.00 178.15 177.64 1bwf h ALA 385 N 1.63 0.03 -0.53 1.87 0.00 -0.44 -2.86 119.26 118.96 1bwf h ALA 385 Ca 0.39 -0.42 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1bwf h ALA 385 Cb 1.10 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.79 1bwf h ALA 385 CO -0.10 0.00 -0.23 1.88 0.00 0.00 0.00 179.25 180.80 1bwf h TYR 386 N -0.56 -0.58 -0.32 0.00 0.05 -0.47 0.33 116.97 115.42 1bwf h TYR 386 Ca -0.02 0.06 0.05 0.00 0.05 0.00 0.00 58.73 58.88 1bwf h TYR 386 Cb 0.88 0.33 -0.08 0.00 1.01 0.00 0.00 36.73 38.87 1bwf h TYR 386 CO 0.17 -0.31 -0.48 1.96 -1.05 0.00 0.00 178.16 178.45 1bwf h GLN 387 N -0.11 -0.40 -0.86 4.88 4.20 -1.25 0.18 115.11 121.75 1bwf h GLN 387 Ca 0.24 0.03 0.15 0.00 0.06 0.00 0.00 58.65 59.13 1bwf h GLN 387 Cb 0.48 0.09 -0.07 0.00 0.30 0.00 0.00 27.48 28.29 1bwf h GLN 387 CO -0.59 -0.27 0.56 1.15 -0.67 0.00 0.00 178.83 179.01 1bwf h THR 388 N -0.42 0.80 -0.02 -0.54 2.02 -0.76 -1.26 112.91 112.73 1bwf h THR 388 Ca 0.10 -0.20 -0.23 0.00 0.77 0.00 0.00 66.41 66.84 1bwf h THR 388 Cb 0.61 0.16 0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1bwf h THR 388 CO -0.53 0.11 -0.93 -0.09 0.37 0.00 0.00 175.52 174.44 1bwf h ARG 389 N 0.59 0.53 -0.83 6.66 2.43 0.63 0.19 114.38 124.57 1bwf h ARG 389 Ca 0.44 -0.54 0.11 0.00 -0.81 0.00 0.00 59.98 59.17 1bwf h ARG 389 Cb 0.81 0.15 -0.12 0.00 -0.42 0.00 0.00 29.97 30.39 1bwf h ARG 389 CO -0.19 1.17 -0.39 -0.25 -1.51 0.00 0.00 179.97 178.80 1bwf n ASP 390 N -3.80 -0.68 0.01 -3.80 8.00 0.44 0.40 116.55 117.12 1bwf n ASP 390 Ca -0.08 1.46 -0.18 0.00 0.71 0.00 0.00 54.79 56.70 1bwf n ASP 390 Cb 0.83 -0.27 -0.11 0.00 -0.02 0.00 0.00 41.12 41.54 1bwf n ASP 390 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1bwf h VAL 391 N 0.00 1.42 -0.95 2.53 3.04 -1.50 -3.07 116.25 117.73 1bwf h VAL 391 Ca 0.22 -2.11 0.26 0.00 -1.01 0.00 0.00 66.70 64.05 1bwf h VAL 391 Cb 0.43 2.61 -0.17 0.00 -2.01 0.00 0.00 31.29 32.15 1bwf h VAL 391 CO -0.80 0.62 0.04 0.25 -1.01 0.00 0.00 177.57 176.67 1bwf h LEU 392 N -0.08 -0.42 -0.13 3.16 6.46 0.31 0.16 115.31 124.76 1bwf h LEU 392 Ca -0.08 0.26 0.03 0.00 -0.12 0.00 0.00 57.88 57.97 1bwf h LEU 392 Cb 1.36 0.45 -0.04 0.00 -0.73 0.00 0.00 40.66 41.70 1bwf h LEU 392 CO 0.13 -0.32 -0.08 -0.33 -0.62 0.00 0.00 178.44 177.21 1bwf h GLU 393 N 0.04 -0.08 -0.74 1.25 4.39 -0.36 -0.75 114.58 118.32 1bwf h GLU 393 Ca 0.57 0.01 0.08 0.00 0.34 0.00 0.00 59.36 60.36 1bwf h GLU 393 Cb 1.16 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.76 1bwf h GLU 393 CO -0.87 -0.06 0.41 0.00 -1.16 0.00 0.00 179.01 177.33 1bwf h ALA 394 N 1.02 1.02 0.20 3.43 0.00 -0.64 0.29 119.26 124.59 1bwf h ALA 394 Ca 0.08 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1bwf h ALA 394 Cb 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1bwf h ALA 394 CO -0.18 0.05 -0.48 1.98 0.00 0.00 0.00 179.25 180.62 1bwf h MET 395 N 0.71 -0.72 -0.49 0.00 -1.53 -0.69 0.65 114.93 112.85 1bwf h MET 395 Ca 0.35 0.05 0.07 0.00 -3.44 0.00 0.00 59.70 56.72 1bwf h MET 395 Cb 0.30 0.16 -0.09 0.00 -0.55 0.00 0.00 31.60 31.42 1bwf h MET 395 CO -0.23 -0.48 -0.51 1.96 0.14 0.00 0.00 176.91 177.79 1bwf h GLN 396 N -0.75 -0.31 0.00 0.39 4.20 -0.30 1.96 115.11 120.31 1bwf h GLN 396 Ca -0.02 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1bwf h GLN 396 Cb 0.72 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.57 1bwf h GLN 396 CO -0.21 -0.21 0.00 0.00 -0.67 0.00 0.00 178.83 177.75 1bwf n ALA 397 N -3.11 0.00 -0.14 3.87 0.00 0.95 0.41 120.51 122.49 1bwf n ALA 397 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1bwf n ALA 397 Cb 0.34 0.42 0.00 0.00 0.00 0.00 0.00 19.45 20.21 1bwf n ALA 397 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bwf n ASP 398 N -2.79 0.00 -0.58 0.00 8.00 0.21 -2.38 116.55 119.01 1bwf n ASP 398 Ca 0.00 0.93 0.46 0.00 0.71 0.00 0.00 54.79 56.89 1bwf n ASP 398 Cb 0.00 -0.43 0.77 0.00 -0.02 0.00 0.00 41.12 41.44 1bwf n ASP 398 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1bwf h SER 399 N 0.00 0.06 -2.97 -2.24 4.64 0.35 -3.43 113.55 109.96 1bwf h SER 399 Ca 0.00 0.03 -0.36 0.00 -0.47 0.00 0.00 61.79 60.99 1bwf h SER 399 Cb 0.00 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1bwf h SER 399 CO 0.00 -0.04 -0.49 0.61 -0.87 0.00 0.00 176.83 176.04 1bwf n GLY 400 N -1.80 -0.38 3.18 -0.77 0.00 1.37 -4.99 105.19 101.80 1bwf n GLY 400 Ca 0.39 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 46.19 1bwf n GLY 400 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bwf s ILE 401 N -2.96 0.93 -0.39 -0.61 1.01 -1.17 -5.05 121.20 112.96 1bwf s ILE 401 Ca 0.07 -1.71 -0.03 0.00 0.00 0.00 0.00 60.65 58.98 1bwf s ILE 401 Cb -0.03 -1.44 0.09 0.00 0.01 0.00 0.00 42.46 41.09 1bwf s ILE 401 CO 0.09 -0.62 0.16 -0.13 0.00 0.00 0.00 174.94 174.44 1bwf s ARG 402 N -3.01 2.12 -0.02 2.79 0.52 -1.26 -4.39 118.95 115.71 1bwf s ARG 402 Ca 0.07 -1.68 -0.30 0.00 -0.52 0.00 0.00 55.73 53.30 1bwf s ARG 402 Cb -0.01 -3.51 -0.05 0.00 0.52 0.00 0.00 34.95 31.90 1bwf s ARG 402 CO -0.01 -0.97 1.42 -0.51 0.02 0.00 0.00 175.30 175.26 1bwf s LEU 403 N 1.18 4.31 0.11 2.53 1.02 -1.26 -4.80 118.68 121.76 1bwf s LEU 403 Ca 0.05 2.10 0.23 0.00 0.02 0.00 0.00 54.13 56.53 1bwf s LEU 403 Cb -0.22 -3.56 -0.05 0.00 0.02 0.00 0.00 46.19 42.38 1bwf s LEU 403 CO -0.03 -0.75 0.92 1.41 0.02 0.00 0.00 176.35 177.92 1bwf n HIS 404 N 5.64 0.55 -3.79 0.29 8.25 -1.26 -4.87 115.22 120.02 1bwf n HIS 404 Ca 0.14 0.16 -0.13 0.00 -0.26 0.00 0.00 57.72 57.63 1bwf n HIS 404 Cb 0.44 -0.71 -0.12 0.00 1.12 0.00 0.00 29.99 30.72 1bwf n HIS 404 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bwf s ALA 405 N -3.35 -0.54 -0.13 -1.41 0.00 -1.26 -2.72 121.76 112.35 1bwf s ALA 405 Ca -0.01 0.65 -0.01 0.00 0.00 0.00 0.00 51.96 52.59 1bwf s ALA 405 Cb 0.12 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 1bwf s ALA 405 CO 0.82 -0.11 -0.10 -1.17 0.00 0.00 0.00 175.76 175.20 1bwf s LEU 406 N 0.21 2.91 -0.40 0.00 0.20 0.10 -4.96 118.68 116.75 1bwf s LEU 406 Ca -0.01 -0.24 -0.12 0.00 0.69 0.00 0.00 54.13 54.46 1bwf s LEU 406 Cb -0.02 -1.67 0.04 0.00 -0.43 0.00 0.00 46.19 44.11 1bwf s LEU 406 CO -0.00 0.19 0.26 -0.60 -0.29 0.00 0.00 176.35 175.90 1bwf s ARG 407 N 0.21 2.83 0.45 1.98 3.52 -1.23 -1.00 118.95 125.71 1bwf s ARG 407 Ca -0.06 -1.17 0.02 0.00 -0.13 0.00 0.00 55.73 54.40 1bwf s ARG 407 Cb -0.15 -3.84 0.08 0.00 -1.56 0.00 0.00 34.95 29.49 1bwf s ARG 407 CO 0.04 -0.79 0.62 1.33 -0.81 0.00 0.00 175.30 175.69 1bwf n VAL 408 N 5.04 0.00 0.00 7.11 0.24 -1.12 -0.47 118.33 129.13 1bwf n VAL 408 Ca -0.11 -1.14 0.00 0.00 -2.04 0.00 0.00 64.34 61.04 1bwf n VAL 408 Cb 0.45 -0.91 0.00 0.00 -1.47 0.00 0.00 33.84 31.91 1bwf n VAL 408 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1bwf n ASP 409 N -2.79 0.00 0.00 -1.34 5.68 -0.62 -4.53 116.55 112.94 1bwf n ASP 409 Ca 0.11 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.40 1bwf n ASP 409 Cb 0.40 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1bwf n ASP 409 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bwf n GLY 410 N -0.33 2.69 0.45 6.12 0.00 -1.26 0.41 105.19 113.27 1bwf n GLY 410 Ca 0.00 -2.04 -0.14 0.00 0.00 0.00 0.00 46.02 43.84 1bwf n GLY 410 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1bwf h GLY 411 N 0.00 -1.08 1.43 -0.02 0.00 -1.84 0.06 103.07 101.62 1bwf h GLY 411 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 47.33 48.03 1bwf h GLY 411 CO 0.00 -0.18 0.28 0.00 0.00 0.00 0.00 176.54 176.64 1bwf h ALA 412 N -0.23 1.28 0.00 3.60 0.00 -1.92 0.11 119.26 122.10 1bwf h ALA 412 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1bwf h ALA 412 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1bwf h ALA 412 CO -0.49 -0.28 0.00 1.33 0.00 0.00 0.00 179.25 179.81 1bwf n VAL 413 N -2.89 1.02 -0.17 0.00 0.24 0.01 0.13 118.33 116.68 1bwf n VAL 413 Ca -0.02 0.68 0.03 0.00 -2.04 0.00 0.00 64.34 62.98 1bwf n VAL 413 Cb 0.33 -1.67 0.30 0.00 -1.47 0.00 0.00 33.84 31.33 1bwf n VAL 413 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bwf h ALA 414 N 2.03 1.57 -1.71 2.33 0.00 -1.14 -3.41 119.26 118.93 1bwf h ALA 414 Ca 0.00 -0.04 -0.54 0.00 0.00 0.00 0.00 54.91 54.33 1bwf h ALA 414 Cb 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1bwf h ALA 414 CO 0.00 0.38 1.35 1.21 0.00 0.00 0.00 179.25 182.19 1bwf s ASN 415 N -6.38 5.49 0.00 0.00 3.04 0.12 -4.86 114.94 112.35 1bwf s ASN 415 Ca -0.10 0.96 -0.25 0.00 0.04 0.00 0.00 52.86 53.50 1bwf s ASN 415 Cb 0.18 -2.52 -0.19 0.00 -1.54 0.00 0.00 41.25 37.18 1bwf s ASN 415 CO 0.77 -2.09 1.37 0.78 -3.04 0.00 0.00 177.10 174.89 1bwf h ASN 416 N 14.45 0.02 -0.85 -4.21 2.35 -1.85 0.26 115.58 125.75 1bwf h ASN 416 Ca -0.30 -0.39 0.11 0.00 -0.55 0.00 0.00 56.30 55.17 1bwf h ASN 416 Cb 1.18 -0.01 -0.13 0.00 0.05 0.00 0.00 38.32 39.42 1bwf h ASN 416 CO 1.11 0.40 -0.47 0.15 -1.65 0.00 0.00 177.43 176.97 1bwf h PHE 417 N -0.36 -1.43 0.00 1.19 3.57 -1.96 0.39 116.94 118.33 1bwf h PHE 417 Ca 0.00 0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1bwf h PHE 417 Cb 0.39 0.74 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1bwf h PHE 417 CO 0.06 -0.40 0.00 -0.11 -2.23 0.00 0.00 178.31 175.63 1bwf n LEU 418 N -5.38 0.00 -0.32 0.59 0.00 -1.07 0.12 117.00 110.94 1bwf n LEU 418 Ca 0.04 0.90 0.09 0.00 0.00 0.00 0.00 56.01 57.05 1bwf n LEU 418 Cb 0.34 -0.40 0.21 0.00 0.00 0.00 0.00 43.42 43.56 1bwf n LEU 418 CO -0.10 -0.40 0.76 0.24 0.00 0.00 0.00 177.39 177.89 1bwf h MET 419 N 0.00 0.03 0.87 1.96 2.86 0.76 0.50 114.93 121.91 1bwf h MET 419 Ca 0.00 -0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1bwf h MET 419 Cb 0.00 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.66 1bwf h MET 419 CO 0.00 0.02 -0.42 0.37 1.06 0.00 0.00 176.91 177.94 1bwf h GLN 420 N 0.03 -1.13 -0.90 1.72 5.75 0.29 -1.26 115.11 119.60 1bwf h GLN 420 Ca 0.51 0.08 0.21 0.00 -0.15 0.00 0.00 58.65 59.29 1bwf h GLN 420 Cb 0.93 0.26 -0.17 0.00 1.07 0.00 0.00 27.48 29.57 1bwf h GLN 420 CO -0.88 -0.75 -0.09 0.35 -2.65 0.00 0.00 178.83 174.81 1bwf h PHE 421 N -1.22 -0.24 -0.47 3.99 3.57 0.31 0.36 116.94 123.24 1bwf h PHE 421 Ca -0.12 0.07 0.08 0.00 3.53 0.00 0.00 57.97 61.54 1bwf h PHE 421 Cb 0.90 0.25 -0.07 0.00 2.79 0.00 0.00 35.95 39.82 1bwf h PHE 421 CO -0.01 -0.37 0.05 0.37 -2.23 0.00 0.00 178.31 176.13 1bwf h GLN 422 N 0.03 0.17 -0.32 1.11 5.75 0.24 -0.24 115.11 121.85 1bwf h GLN 422 Ca 0.49 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.94 1bwf h GLN 422 Cb 0.87 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.37 1bwf h GLN 422 CO -0.87 0.11 0.07 1.03 -2.65 0.00 0.00 178.83 176.52 1bwf h SER 423 N 0.18 0.49 -0.83 -0.69 0.87 0.16 -1.91 113.55 111.81 1bwf h SER 423 Ca 0.24 -0.24 0.10 0.00 -1.23 0.00 0.00 61.79 60.66 1bwf h SER 423 Cb 0.33 -0.13 -0.08 0.00 -0.44 0.00 0.00 62.40 62.09 1bwf h SER 423 CO -0.35 0.60 0.46 0.44 -0.53 0.00 0.00 176.83 177.46 1bwf h ASP 424 N 0.35 0.65 1.97 6.23 3.32 0.06 0.16 116.42 129.16 1bwf h ASP 424 Ca 0.10 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1bwf h ASP 424 Cb 0.31 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1bwf h ASP 424 CO 0.00 0.36 -0.03 -0.29 -1.72 0.00 0.00 179.24 177.57 1bwf h ILE 425 N 0.76 0.00 0.00 0.35 6.09 -0.97 -3.12 117.51 120.63 1bwf h ILE 425 Ca 0.41 -0.99 -0.22 0.00 -1.37 0.00 0.00 64.86 62.68 1bwf h ILE 425 Cb 0.40 1.98 -0.04 0.00 0.47 0.00 0.00 36.82 39.64 1bwf h ILE 425 CO -0.26 0.00 -1.43 -0.07 -3.07 0.00 0.00 178.15 173.32 1bwf h LEU 426 N 0.00 0.00 1.74 2.19 -0.00 -0.65 -3.47 115.31 115.11 1bwf h LEU 426 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.61 1bwf h LEU 426 Cb 1.00 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.63 1bwf h LEU 426 CO 0.00 0.80 -0.33 0.61 -0.00 0.00 0.00 178.44 179.52 1bwf n GLY 427 N 1.45 0.01 3.07 0.83 0.00 -0.02 -5.01 105.19 105.52 1bwf n GLY 427 Ca -0.11 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 1bwf n GLY 427 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bwf s THR 428 N -2.64 0.49 0.29 2.61 2.01 -1.15 -4.94 115.64 112.31 1bwf s THR 428 Ca 0.00 -1.29 -0.26 0.00 0.31 0.00 0.00 61.69 60.46 1bwf s THR 428 Cb 0.00 -0.85 -0.09 0.00 0.01 0.00 0.00 72.50 71.57 1bwf s THR 428 CO 0.00 -0.54 0.91 -0.60 -0.69 0.00 0.00 174.62 173.69 1bwf s ARG 429 N -2.20 4.59 -0.06 4.92 3.52 -1.10 -4.48 118.95 124.15 1bwf s ARG 429 Ca -0.05 1.29 0.04 0.00 -0.13 0.00 0.00 55.73 56.88 1bwf s ARG 429 Cb -0.06 -2.91 -0.02 0.00 -1.56 0.00 0.00 34.95 30.40 1bwf s ARG 429 CO -0.02 0.35 -0.16 0.08 -0.81 0.00 0.00 175.30 174.75 1bwf s VAL 430 N -1.51 2.94 -0.18 7.11 1.01 0.53 0.03 120.40 130.34 1bwf s VAL 430 Ca 0.47 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1bwf s VAL 430 Cb -0.20 -2.15 0.04 0.00 0.00 0.00 0.00 36.38 34.07 1bwf s VAL 430 CO 0.25 0.58 -0.07 -1.61 0.00 0.00 0.00 175.10 174.25 1bwf s GLU 431 N -0.59 1.67 -0.27 2.72 2.02 -0.17 0.14 118.70 124.21 1bwf s GLU 431 Ca 0.09 -0.64 -0.13 0.00 0.02 0.00 0.00 54.97 54.30 1bwf s GLU 431 Cb -0.11 -2.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.91 1bwf s GLU 431 CO 0.01 -0.43 0.28 0.50 0.02 0.00 0.00 175.26 175.64 1bwf s ARG 432 N 1.54 3.98 0.73 1.61 3.52 0.28 -2.81 118.95 127.81 1bwf s ARG 432 Ca -0.00 -0.14 -0.15 0.00 -0.13 0.00 0.00 55.73 55.30 1bwf s ARG 432 Cb -0.16 -3.66 0.04 0.00 -1.56 0.00 0.00 34.95 29.61 1bwf s ARG 432 CO -0.08 -0.22 1.23 -1.25 -0.81 0.00 0.00 175.30 174.17 1bwf s PRO 433 N 1.90 2.12 0.16 5.12 0.04 -1.26 0.39 135.00 143.47 1bwf s PRO 433 Ca 0.11 1.85 -0.11 0.00 0.04 0.00 0.00 61.00 62.89 1bwf s PRO 433 Cb -0.16 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 32.59 1bwf s PRO 433 CO 0.10 -1.87 1.61 1.49 0.04 0.00 0.00 177.00 178.37 1bwf h GLU 434 N -0.21 0.96 -7.07 4.56 4.57 0.29 -3.32 114.58 114.36 1bwf h GLU 434 Ca -0.48 -0.32 -0.45 0.00 -1.18 0.00 0.00 59.36 56.92 1bwf h GLU 434 Cb 1.31 -0.08 0.06 0.00 -0.16 0.00 0.00 28.75 29.88 1bwf h GLU 434 CO 0.50 0.99 0.11 0.54 -1.18 0.00 0.00 179.01 179.96 1bwf s VAL 435 N -4.97 2.85 0.00 0.32 0.11 -1.26 -4.90 120.40 112.55 1bwf s VAL 435 Ca -0.12 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 1bwf s VAL 435 Cb 0.12 -3.14 0.00 0.00 -1.53 0.00 0.00 36.38 31.83 1bwf s VAL 435 CO 0.84 -0.13 0.00 0.54 -3.33 0.00 0.00 175.10 173.02 1bwf n ARG 436 N -2.60 1.99 -2.64 1.54 5.12 -1.26 -4.80 116.66 114.01 1bwf n ARG 436 Ca 0.07 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.57 1bwf n ARG 436 Cb 0.59 -0.81 0.02 0.00 -1.16 0.00 0.00 32.46 31.10 1bwf n ARG 436 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1bwf n GLU 437 N -1.04 5.30 -0.16 5.56 4.71 -1.26 -4.64 120.64 129.11 1bwf n GLU 437 Ca 0.00 -4.58 0.17 0.00 -0.01 0.00 0.00 57.16 52.75 1bwf n GLU 437 Cb 0.00 -2.49 0.54 0.00 -1.01 0.00 0.00 31.44 28.48 1bwf n GLU 437 CO 0.00 0.00 0.00 -0.39 0.09 0.00 0.00 177.13 176.83 1bwf h VAL 438 N 2.37 0.75 0.06 2.62 -1.51 -1.90 -0.75 116.25 117.88 1bwf h VAL 438 Ca 0.51 -0.12 -0.00 0.00 -1.23 0.00 0.00 66.70 65.86 1bwf h VAL 438 Cb 0.35 0.38 -0.00 0.00 -2.13 0.00 0.00 31.29 29.89 1bwf h VAL 438 CO 1.22 0.06 -0.04 0.74 -1.23 0.00 0.00 177.57 178.32 1bwf h THR 439 N 0.34 0.00 -0.83 7.19 2.02 -1.83 -0.98 112.91 118.82 1bwf h THR 439 Ca 0.38 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.66 1bwf h THR 439 Cb 0.98 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.27 1bwf h THR 439 CO -0.11 0.00 -0.49 0.00 0.37 0.00 0.00 175.52 175.29 1bwf h ALA 440 N -1.83 -0.32 -0.14 6.16 0.00 -1.76 0.19 119.26 121.58 1bwf h ALA 440 Ca -0.01 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1bwf h ALA 440 Cb 0.08 1.14 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1bwf h ALA 440 CO 0.01 -0.85 0.00 1.28 0.00 0.00 0.00 179.25 179.69 1bwf n LEU 441 N -5.36 0.00 -0.28 0.00 4.77 -0.34 0.11 117.00 115.90 1bwf n LEU 441 Ca 0.04 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1bwf n LEU 441 Cb 0.33 -0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.37 1bwf n LEU 441 CO -0.10 -0.12 0.67 1.23 -1.33 0.00 0.00 177.39 177.74 1bwf h GLY 442 N 0.00 0.33 1.84 -0.72 0.00 0.45 0.49 103.07 105.46 1bwf h GLY 442 Ca 0.00 0.35 -0.11 0.00 0.00 0.00 0.00 47.33 47.57 1bwf h GLY 442 CO 0.00 -0.27 -0.43 0.00 0.00 0.00 0.00 176.54 175.84 1bwf h ALA 443 N 1.54 1.13 -0.26 3.60 0.00 0.12 -2.36 119.26 123.04 1bwf h ALA 443 Ca 0.34 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1bwf h ALA 443 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1bwf h ALA 443 CO -0.82 0.59 -0.45 0.00 0.00 0.00 0.00 179.25 178.58 1bwf h ALA 444 N 1.41 0.40 -3.00 0.00 0.00 0.31 -2.94 119.26 115.44 1bwf h ALA 444 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1bwf h ALA 444 Cb 0.82 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1bwf h ALA 444 CO 0.06 0.54 0.00 0.66 0.00 0.00 0.00 179.25 180.51 1bwf n TYR 445 N -4.14 0.00 0.00 0.00 4.01 0.14 -1.80 117.16 115.37 1bwf n TYR 445 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1bwf n TYR 445 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 1bwf n TYR 445 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1bwf n LEU 446 N 0.00 0.00 0.43 7.72 7.94 -1.08 0.25 117.00 132.27 1bwf n LEU 446 Ca 0.00 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.72 1bwf n LEU 446 Cb 0.00 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.86 1bwf n LEU 446 CO 0.00 0.00 0.52 0.00 -1.11 0.00 0.00 177.39 176.80 1bwf h ALA 447 N 0.00 -1.10 -0.70 1.96 0.00 -1.39 0.26 119.26 118.29 1bwf h ALA 447 Ca 0.00 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.72 1bwf h ALA 447 Cb 0.00 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1bwf h ALA 447 CO 0.00 -1.06 0.46 0.78 0.00 0.00 0.00 179.25 179.43 1bwf h GLY 448 N -1.20 0.93 0.99 0.00 0.00 0.42 0.67 103.07 104.88 1bwf h GLY 448 Ca -0.11 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1bwf h GLY 448 CO 0.18 0.24 0.03 -2.00 0.00 0.00 0.00 176.54 174.99 1bwf h LEU 449 N 0.75 0.06 -0.86 3.11 5.85 -0.76 1.45 115.31 124.91 1bwf h LEU 449 Ca 0.29 -0.01 0.13 0.00 0.84 0.00 0.00 57.88 59.14 1bwf h LEU 449 Cb 0.21 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.13 1bwf h LEU 449 CO -0.09 0.05 0.47 0.00 -0.34 0.00 0.00 178.44 178.53 1bwf h ALA 450 N 1.01 1.30 -0.33 1.25 0.00 0.12 0.13 119.26 122.74 1bwf h ALA 450 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1bwf h ALA 450 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1bwf h ALA 450 CO -0.00 -0.01 0.00 1.55 0.00 0.00 0.00 179.25 180.78 1bwf n VAL 451 N -4.81 0.90 -3.90 0.00 3.14 -0.15 -4.83 118.33 108.68 1bwf n VAL 451 Ca 0.17 -0.58 -0.27 0.00 -2.96 0.00 0.00 64.34 60.69 1bwf n VAL 451 Cb 0.39 -0.06 -0.01 0.00 -1.06 0.00 0.00 33.84 33.11 1bwf n VAL 451 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1bwf n GLY 452 N 0.71 -0.41 0.05 7.55 0.00 0.47 -4.79 105.19 108.77 1bwf n GLY 452 Ca 0.13 0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.48 1bwf n GLY 452 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1bwf n PHE 453 N -4.38 0.34 -4.13 1.61 -0.00 0.49 -4.81 117.46 106.57 1bwf n PHE 453 Ca -0.26 0.10 -0.13 0.00 -0.00 0.00 0.00 57.45 57.16 1bwf n PHE 453 Cb 0.66 -0.65 -0.11 0.00 -0.00 0.00 0.00 39.48 39.38 1bwf n PHE 453 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 1bwf s TRP 454 N -3.45 0.88 -0.44 -5.13 0.51 -1.16 -4.94 118.94 105.20 1bwf s TRP 454 Ca -0.05 -0.66 0.06 0.00 -2.12 0.00 0.00 56.10 53.33 1bwf s TRP 454 Cb 0.13 -0.50 0.21 0.00 -0.81 0.00 0.00 33.47 32.50 1bwf s TRP 454 CO 0.87 -0.07 0.47 0.00 -0.51 0.00 0.00 176.95 177.71 1bwf n GLN 455 N 0.76 0.75 0.00 4.98 -0.00 -1.26 -4.59 117.38 118.02 1bwf n GLN 455 Ca -0.18 -3.42 0.00 0.00 -0.00 0.00 0.00 57.00 53.41 1bwf n GLN 455 Cb 0.57 -1.55 0.00 0.00 -0.00 0.00 0.00 30.24 29.26 1bwf n GLN 455 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1bwf n ASN 456 N 1.93 0.00 -0.04 2.61 4.05 -1.26 -4.91 115.26 117.64 1bwf n ASN 456 Ca 0.25 0.00 -0.02 0.00 0.45 0.00 0.00 54.58 55.26 1bwf n ASN 456 Cb 0.49 0.00 -0.14 0.00 1.23 0.00 0.00 39.78 41.35 1bwf n ASN 456 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1bwf n LEU 457 N 0.00 0.23 -0.05 1.20 7.99 -1.26 -4.22 117.00 120.89 1bwf n LEU 457 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 56.01 56.10 1bwf n LEU 457 Cb 0.00 0.26 0.00 0.00 -0.11 0.00 0.00 43.42 43.57 1bwf n LEU 457 CO 0.00 0.29 0.10 0.47 -1.51 0.00 0.00 177.39 176.74 1bwf n ASP 458 N -2.67 0.02 -0.70 -1.43 8.00 -1.26 -0.14 116.55 118.37 1bwf n ASP 458 Ca -0.20 -0.42 0.09 0.00 0.71 0.00 0.00 54.79 54.97 1bwf n ASP 458 Cb 0.93 -0.01 0.08 0.00 -0.02 0.00 0.00 41.12 42.10 1bwf n ASP 458 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1bwf n GLU 459 N -0.41 1.45 -0.15 -1.24 1.02 -1.26 -4.20 120.64 115.85 1bwf n GLU 459 Ca 0.00 -1.56 0.00 0.00 -0.02 0.00 0.00 57.16 55.58 1bwf n GLU 459 Cb 0.01 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 1bwf n GLU 459 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1bwf n LEU 460 N 0.97 0.16 0.00 -4.62 4.32 0.80 -4.71 117.00 113.93 1bwf n LEU 460 Ca 0.10 -0.48 0.13 0.00 -0.02 0.00 0.00 56.01 55.74 1bwf n LEU 460 Cb 0.43 -0.01 0.74 0.00 -1.62 0.00 0.00 43.42 42.97 1bwf n LEU 460 CO 0.11 0.12 0.95 1.67 -1.22 0.00 0.00 177.39 179.01 1bwf n GLN 461 N -0.06 0.89 0.02 3.23 7.27 -0.99 -1.99 117.38 125.75 1bwf n GLN 461 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 57.00 56.87 1bwf n GLN 461 Cb 0.55 -1.44 -0.14 0.00 2.41 0.00 0.00 30.24 31.62 1bwf n GLN 461 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1bwf h GLU 462 N 0.00 0.28 0.00 3.69 3.07 -1.86 -3.30 114.58 116.46 1bwf h GLU 462 Ca 0.00 -0.48 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 1bwf h GLU 462 Cb 0.00 0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1bwf h GLU 462 CO 0.00 1.18 0.00 1.63 -1.40 0.00 0.00 179.01 180.42 1bwf n LYS 463 N -3.47 0.32 -2.19 2.33 4.76 -0.84 -3.08 118.16 115.99 1bwf n LYS 463 Ca -0.28 0.05 -0.39 0.00 -2.87 0.00 0.00 58.31 54.82 1bwf n LYS 463 Cb 1.06 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 32.76 1bwf n LYS 463 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bwf n ALA 464 N -1.09 6.37 -2.49 7.82 0.00 -1.24 -4.45 120.51 125.43 1bwf n ALA 464 Ca 0.08 -4.20 -0.39 0.00 0.00 0.00 0.00 53.44 48.92 1bwf n ALA 464 Cb 0.06 -2.20 -0.05 0.00 0.00 0.00 0.00 19.45 17.25 1bwf n ALA 464 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1bwf s VAL 465 N -3.91 4.85 -0.29 0.00 1.01 -1.18 -4.95 120.40 115.94 1bwf s VAL 465 Ca 0.48 1.46 -0.24 0.00 0.00 0.00 0.00 61.98 63.67 1bwf s VAL 465 Cb 0.29 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1bwf s VAL 465 CO -0.23 0.36 0.84 -0.63 0.00 0.00 0.00 175.10 175.44 1bwf s ILE 466 N 0.07 4.77 0.04 2.22 -1.09 -1.26 0.24 121.20 126.18 1bwf s ILE 466 Ca 0.36 1.38 -0.16 0.00 -2.23 0.00 0.00 60.65 59.99 1bwf s ILE 466 Cb -0.19 -4.17 -0.30 0.00 -1.58 0.00 0.00 42.46 36.22 1bwf s ILE 466 CO 0.20 -0.22 1.07 -0.08 -1.23 0.00 0.00 174.94 174.68 1bwf h GLU 467 N 7.97 0.58 -3.77 2.79 4.81 0.72 -3.43 114.58 124.25 1bwf h GLU 467 Ca -0.23 -0.79 -0.30 0.00 -0.13 0.00 0.00 59.36 57.91 1bwf h GLU 467 Cb 1.09 0.26 -0.32 0.00 0.63 0.00 0.00 28.75 30.42 1bwf h GLU 467 CO 0.90 1.35 -0.74 1.03 -0.73 0.00 0.00 179.01 180.83 1bwf s ARG 468 N -2.92 0.18 -0.18 1.92 1.81 0.14 -4.95 118.95 114.95 1bwf s ARG 468 Ca -0.10 0.04 -0.03 0.00 -1.72 0.00 0.00 55.73 53.92 1bwf s ARG 468 Cb 0.05 -0.30 -0.01 0.00 -0.45 0.00 0.00 34.95 34.23 1bwf s ARG 468 CO 0.92 -0.07 -0.07 -2.00 -0.68 0.00 0.00 175.30 173.40 1bwf s GLU 469 N 0.60 3.45 -0.26 3.54 2.12 -1.26 -0.55 118.70 126.34 1bwf s GLU 469 Ca -0.06 -0.62 -0.08 0.00 0.36 0.00 0.00 54.97 54.57 1bwf s GLU 469 Cb -0.08 -2.87 -0.03 0.00 0.26 0.00 0.00 34.13 31.40 1bwf s GLU 469 CO -0.01 0.03 0.10 -0.06 -0.54 0.00 0.00 175.26 174.78 1bwf s PHE 470 N 0.87 3.12 -0.08 5.30 0.40 0.37 -4.94 117.98 123.02 1bwf s PHE 470 Ca -0.02 -0.31 -0.06 0.00 -0.60 0.00 0.00 56.93 55.94 1bwf s PHE 470 Cb -0.15 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 41.06 1bwf s PHE 470 CO 0.01 -0.32 0.17 1.03 0.70 0.00 0.00 175.22 176.81 1bwf s ARG 471 N 1.65 3.47 0.55 0.44 0.52 -1.26 -0.34 118.95 123.97 1bwf s ARG 471 Ca 0.06 -0.14 -0.21 0.00 -0.52 0.00 0.00 55.73 54.92 1bwf s ARG 471 Cb -0.15 -3.17 -0.05 0.00 0.52 0.00 0.00 34.95 32.10 1bwf s ARG 471 CO 0.05 0.75 1.30 -2.14 0.02 0.00 0.00 175.30 175.29 1bwf s PRO 472 N -1.26 3.16 0.00 3.54 0.01 -1.26 -4.70 135.00 134.48 1bwf s PRO 472 Ca 0.19 2.10 0.16 0.00 0.01 0.00 0.00 61.00 63.46 1bwf s PRO 472 Cb -0.12 -2.20 0.26 0.00 0.01 0.00 0.00 34.50 32.45 1bwf s PRO 472 CO 0.08 -1.14 1.09 0.41 0.01 0.00 0.00 177.00 177.46 1bwf n GLY 473 N 0.68 0.82 3.30 0.52 0.00 -1.26 -4.94 105.19 104.30 1bwf n GLY 473 Ca 0.11 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 1bwf n GLY 473 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bwf s ILE 474 N 0.00 2.08 0.56 -0.61 1.09 -1.26 -5.13 121.20 117.92 1bwf s ILE 474 Ca 0.21 -1.09 -0.18 0.00 -1.10 0.00 0.00 60.65 58.49 1bwf s ILE 474 Cb 0.24 -1.72 -0.05 0.00 -1.06 0.00 0.00 42.46 39.86 1bwf s ILE 474 CO -0.10 0.58 1.08 -0.70 -0.10 0.00 0.00 174.94 175.69 1bwf s GLU 475 N -0.47 3.40 0.04 2.79 2.56 -1.26 -4.78 118.70 120.98 1bwf s GLU 475 Ca 0.06 1.39 -0.10 0.00 0.00 0.00 0.00 54.97 56.32 1bwf s GLU 475 Cb -0.11 -2.03 -0.03 0.00 2.00 0.00 0.00 34.13 33.95 1bwf s GLU 475 CO 0.01 -0.77 1.17 0.00 -0.56 0.00 0.00 175.26 175.11 1bwf h THR 476 N 0.94 0.00 0.00 -1.70 1.03 -1.98 0.14 112.91 111.33 1bwf h THR 476 Ca -0.49 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.91 1bwf h THR 476 Cb 1.24 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.32 1bwf h THR 476 CO 0.57 0.00 0.00 0.41 -0.01 0.00 0.00 175.52 176.49 1bwf n THR 477 N -3.55 0.00 0.00 0.00 -1.04 -1.26 -1.03 114.28 107.39 1bwf n THR 477 Ca -0.01 0.60 0.00 0.00 -2.04 0.00 0.00 64.05 62.60 1bwf n THR 477 Cb 0.10 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.68 1bwf n THR 477 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1bwf n GLU 478 N -0.69 0.00 0.00 -2.82 -0.58 -0.44 0.24 120.64 116.35 1bwf n GLU 478 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1bwf n GLU 478 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1bwf n GLU 478 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1bwf n ARG 479 N -2.09 0.00 -0.24 3.49 1.74 0.35 -1.39 116.66 118.52 1bwf n ARG 479 Ca 0.00 0.72 0.15 0.00 -0.77 0.00 0.00 57.85 57.96 1bwf n ARG 479 Cb 0.00 -1.32 0.45 0.00 -1.02 0.00 0.00 32.46 30.57 1bwf n ARG 479 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1bwf h ASN 480 N 0.00 0.52 0.06 0.55 2.35 0.47 0.11 115.58 119.63 1bwf h ASN 480 Ca 0.00 0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1bwf h ASN 480 Cb 0.00 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 1bwf h ASN 480 CO 0.00 0.24 -0.30 0.22 -1.65 0.00 0.00 177.43 175.93 1bwf h TYR 481 N 0.53 -0.88 -0.01 1.19 3.20 0.14 -1.29 116.97 119.85 1bwf h TYR 481 Ca 0.45 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.35 1bwf h TYR 481 Cb 0.93 0.38 -0.00 0.00 1.54 0.00 0.00 36.73 39.58 1bwf h TYR 481 CO -0.00 -0.34 -0.01 0.00 -1.64 0.00 0.00 178.16 176.16 1bwf h ARG 482 N -0.43 -0.01 -0.78 1.82 2.47 0.43 -2.21 114.38 115.67 1bwf h ARG 482 Ca -0.00 0.00 0.32 0.00 -1.26 0.00 0.00 59.98 59.04 1bwf h ARG 482 Cb 0.43 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 28.62 1bwf h ARG 482 CO -0.17 -0.01 0.41 0.98 0.56 0.00 0.00 179.97 181.74 1bwf n TYR 483 N -2.71 0.90 0.29 3.04 9.36 -0.74 -0.06 117.16 127.23 1bwf n TYR 483 Ca -0.00 0.92 -0.16 0.00 3.32 0.00 0.00 57.90 61.98 1bwf n TYR 483 Cb 0.01 -1.33 -0.08 0.00 -0.63 0.00 0.00 39.34 37.30 1bwf n TYR 483 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1bwf h ALA 484 N 1.56 -1.14 -1.00 2.98 0.00 -0.58 0.34 119.26 121.41 1bwf h ALA 484 Ca 0.66 -0.18 0.24 0.00 0.00 0.00 0.00 54.91 55.62 1bwf h ALA 484 Cb 1.72 0.61 -0.09 0.00 0.00 0.00 0.00 17.79 20.04 1bwf h ALA 484 CO -0.60 -1.14 0.64 0.78 0.00 0.00 0.00 179.25 178.93 1bwf h GLY 485 N -0.91 1.22 1.04 0.00 0.00 -0.40 1.22 103.07 105.23 1bwf h GLY 485 Ca -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1bwf h GLY 485 CO 0.00 -0.09 0.54 -0.25 0.00 0.00 0.00 176.54 176.74 1bwf h TRP 486 N 0.46 1.24 0.00 5.60 2.91 0.07 -1.23 115.95 124.99 1bwf h TRP 486 Ca 0.56 -0.01 -0.15 0.00 1.13 0.00 0.00 58.89 60.42 1bwf h TRP 486 Cb 1.33 -0.40 -0.02 0.00 -0.51 0.00 0.00 29.16 29.55 1bwf h TRP 486 CO -0.00 0.83 -0.73 0.87 -1.03 0.00 0.00 178.44 178.38 1bwf h LYS 487 N 1.29 0.00 -0.67 2.65 1.57 0.53 -2.79 116.57 119.15 1bwf h LYS 487 Ca 0.33 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.25 1bwf h LYS 487 Cb -0.03 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.18 1bwf h LYS 487 CO -0.06 0.67 0.10 -0.22 -0.57 0.00 0.00 179.45 179.38 1bwf h LYS 488 N 0.00 0.20 0.51 3.15 3.64 0.08 -1.83 116.57 122.32 1bwf h LYS 488 Ca -0.02 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1bwf h LYS 488 Cb 1.54 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.30 1bwf h LYS 488 CO 0.09 0.13 -0.40 0.00 -2.27 0.00 0.00 179.45 177.00 1bwf h ALA 489 N 1.57 -0.95 -0.49 5.00 0.00 -1.00 -2.09 119.26 121.30 1bwf h ALA 489 Ca 0.36 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.20 1bwf h ALA 489 Cb 0.60 0.55 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 1bwf h ALA 489 CO -0.50 -1.06 -0.05 0.28 0.00 0.00 0.00 179.25 177.92 1bwf h VAL 490 N -0.90 0.57 -0.46 0.00 2.07 -1.14 0.93 116.25 117.32 1bwf h VAL 490 Ca -0.05 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.54 1bwf h VAL 490 Cb 0.77 0.50 -0.09 0.00 -1.52 0.00 0.00 31.29 30.95 1bwf h VAL 490 CO -0.00 0.01 -0.14 0.11 0.02 0.00 0.00 177.57 177.56 1bwf h LYS 491 N 0.06 -0.04 -0.45 1.57 1.57 -1.20 0.88 116.57 118.96 1bwf h LYS 491 Ca 0.24 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.08 1bwf h LYS 491 Cb 0.37 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1bwf h LYS 491 CO -0.45 -0.02 0.30 0.00 -0.57 0.00 0.00 179.45 178.71 1bwf h ARG 492 N -0.04 0.40 -0.02 3.15 -0.00 -0.22 -1.21 114.38 116.44 1bwf h ARG 492 Ca 0.22 -0.02 -0.22 0.00 -0.50 0.00 0.00 59.98 59.46 1bwf h ARG 492 Cb 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 29.97 30.26 1bwf h ARG 492 CO -0.49 0.26 -0.91 0.00 0.00 0.00 0.00 179.97 178.83 1bwf h ALA 493 N 1.75 0.38 -2.87 0.04 0.00 0.19 -3.46 119.26 115.30 1bwf h ALA 493 Ca 0.19 -0.69 -0.57 0.00 0.00 0.00 0.00 54.91 53.85 1bwf h ALA 493 Cb 0.24 -0.02 0.15 0.00 0.00 0.00 0.00 17.79 18.17 1bwf h ALA 493 CO -0.05 0.79 0.29 0.00 0.00 0.00 0.00 179.25 180.28 1bwf n MET 494 N -3.78 1.15 -3.28 0.00 -0.00 0.26 -3.60 117.12 107.87 1bwf n MET 494 Ca -0.07 0.44 -0.15 0.00 -0.00 0.00 0.00 57.70 57.92 1bwf n MET 494 Cb 0.81 -2.30 0.08 0.00 -0.00 0.00 0.00 33.22 31.81 1bwf n MET 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1bwf n ALA 495 N -1.47 -2.26 -0.10 3.17 0.00 -1.26 -4.80 120.51 113.79 1bwf n ALA 495 Ca 0.13 0.06 -0.24 0.00 0.00 0.00 0.00 53.44 53.39 1bwf n ALA 495 Cb 0.46 -4.38 -0.11 0.00 0.00 0.00 0.00 19.45 15.42 1bwf n ALA 495 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1bwf n TRP 496 N -3.53 0.51 -1.99 0.00 -0.00 0.78 -4.87 117.44 108.34 1bwf n TRP 496 Ca -0.15 0.17 -0.41 0.00 -0.00 0.00 0.00 57.50 57.11 1bwf n TRP 496 Cb 0.64 -1.06 -0.02 0.00 -0.00 0.00 0.00 31.31 30.87 1bwf n TRP 496 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 177.69 175.69 1bwf s GLU 497 N -2.48 4.25 -0.36 5.87 2.56 0.21 -4.96 118.70 123.79 1bwf s GLU 497 Ca -0.33 2.33 -0.29 0.00 0.00 0.00 0.00 54.97 56.68 1bwf s GLU 497 Cb 0.10 -3.11 0.02 0.00 2.00 0.00 0.00 34.13 33.13 1bwf s GLU 497 CO 0.59 -0.47 1.08 -2.00 -0.56 0.00 0.00 175.26 173.90 1bwf s GLU 498 N -0.10 3.96 0.00 4.30 2.56 -1.26 -4.82 118.70 123.34 1bwf s GLU 498 Ca 0.61 0.90 0.08 0.00 0.00 0.00 0.00 54.97 56.57 1bwf s GLU 498 Cb -0.42 -3.78 0.07 0.00 2.00 0.00 0.00 34.13 31.99 1bwf s GLU 498 CO 0.41 -1.02 0.77 -2.39 -0.56 0.00 0.00 175.26 172.47