#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b3w s PRO 2 N 0.00 3.56 -1.13 2.12 0.04 -1.26 -4.94 135.00 133.39 2b3w s PRO 2 Ca 0.00 -0.40 -0.21 0.00 0.04 0.00 0.00 61.00 60.42 2b3w s PRO 2 Cb 0.00 -3.81 0.01 0.00 0.04 0.00 0.00 34.50 30.75 2b3w s PRO 2 CO 0.00 -0.54 1.72 0.08 0.04 0.00 0.00 177.00 178.30 2b3w s VAL 3 N 2.05 3.84 0.10 -0.36 1.01 -1.26 -4.92 120.40 120.86 2b3w s VAL 3 Ca 0.12 -1.12 0.05 0.00 0.00 0.00 0.00 61.98 61.03 2b3w s VAL 3 Cb -0.16 -4.84 -0.03 0.00 0.00 0.00 0.00 36.38 31.34 2b3w s VAL 3 CO 0.12 -1.63 -0.12 -0.13 0.00 0.00 0.00 175.10 173.34 2b3w s ARG 4 N 5.34 0.91 0.19 2.72 0.52 -1.26 -5.12 118.95 122.25 2b3w s ARG 4 Ca 0.57 -1.14 -0.30 0.00 -0.52 0.00 0.00 55.73 54.34 2b3w s ARG 4 Cb 0.00 -0.74 -0.08 0.00 0.52 0.00 0.00 34.95 34.65 2b3w s ARG 4 CO 0.02 0.14 1.13 0.00 0.02 0.00 0.00 175.30 176.61 2b3w s ALA 5 N -2.05 3.39 -0.49 2.13 0.00 -1.26 -4.05 121.76 119.42 2b3w s ALA 5 Ca 0.05 0.87 -0.00 0.00 0.00 0.00 0.00 51.96 52.87 2b3w s ALA 5 Cb -0.05 -3.37 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 2b3w s ALA 5 CO 0.02 -0.25 0.46 1.04 0.00 0.00 0.00 175.76 177.03 2b3w n GLN 6 N 2.25 -0.90 0.16 0.00 1.13 -1.26 -4.95 117.38 113.81 2b3w n GLN 6 Ca 0.03 1.12 -0.14 0.00 -1.94 0.00 0.00 57.00 56.07 2b3w n GLN 6 Cb 0.45 -4.29 -0.07 0.00 0.11 0.00 0.00 30.24 26.45 2b3w n GLN 6 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 2b3w h ARG 7 N 0.24 -0.42 -4.42 -1.09 1.12 -1.89 -3.28 114.38 104.65 2b3w h ARG 7 Ca -0.02 0.03 -0.73 0.00 -1.11 0.00 0.00 59.98 58.15 2b3w h ARG 7 Cb 1.01 0.09 -0.22 0.00 -0.01 0.00 0.00 29.97 30.84 2b3w h ARG 7 CO 0.20 -0.28 -0.39 0.42 -3.11 0.00 0.00 179.97 176.81 2b3w s ILE 8 N -6.11 5.13 -0.68 1.20 1.01 -1.26 -5.02 121.20 115.47 2b3w s ILE 8 Ca -0.15 -0.91 -0.26 0.00 0.00 0.00 0.00 60.65 59.33 2b3w s ILE 8 Cb 0.06 -3.96 -0.10 0.00 0.01 0.00 0.00 42.46 38.47 2b3w s ILE 8 CO 0.65 -0.44 2.36 -1.10 0.00 0.00 0.00 174.94 176.41 2b3w s GLN 9 N 1.64 1.88 -0.20 2.79 -0.21 -1.24 -3.67 119.66 120.65 2b3w s GLN 9 Ca 0.04 0.78 -0.11 0.00 0.02 0.00 0.00 55.36 56.09 2b3w s GLN 9 Cb -0.22 -4.71 0.04 0.00 1.00 0.00 0.00 33.01 29.12 2b3w s GLN 9 CO 0.08 -3.89 0.22 1.58 -2.12 0.00 0.00 175.29 171.16 2b3w n HIS 10 N 17.13 -4.37 -0.58 0.91 -0.00 -1.26 -4.98 115.22 122.07 2b3w n HIS 10 Ca 0.41 2.47 -0.28 0.00 -0.00 0.00 0.00 57.72 60.32 2b3w n HIS 10 Cb 0.48 -3.90 0.24 0.00 -0.00 0.00 0.00 29.99 26.82 2b3w n HIS 10 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2b3w s VAL 11 N -0.77 2.02 0.00 3.57 -7.23 -1.22 -5.00 120.40 111.77 2b3w s VAL 11 Ca -0.25 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 59.93 2b3w s VAL 11 Cb 0.02 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.87 2b3w s VAL 11 CO 0.78 -0.01 0.18 0.23 -0.31 0.00 0.00 175.10 175.97 2b3w n MET 12 N -4.86 0.00 0.00 4.82 0.00 -1.26 -4.64 117.12 111.18 2b3w n MET 12 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.74 2b3w n MET 12 Cb 0.54 -0.62 0.00 0.00 0.00 0.00 0.00 33.22 33.14 2b3w n MET 12 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 2b3w n GLN 13 N -0.23 0.00 -1.98 0.03 7.27 -1.26 -4.77 117.38 116.44 2b3w n GLN 13 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 57.00 56.91 2b3w n GLN 13 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 2b3w n GLN 13 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2b3w n ASP 14 N 0.00 -4.78 -4.61 1.69 9.92 0.00 -4.93 116.55 113.84 2b3w n ASP 14 Ca 0.00 0.14 -0.43 0.00 -0.53 0.00 0.00 54.79 53.97 2b3w n ASP 14 Cb 0.00 -3.81 -0.02 0.00 -0.64 0.00 0.00 41.12 36.64 2b3w n ASP 14 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2b3w s THR 15 N -2.71 4.05 -0.49 -3.53 2.01 -1.26 -4.78 115.64 108.93 2b3w s THR 15 Ca 0.00 1.10 -0.29 0.00 0.31 0.00 0.00 61.69 62.81 2b3w s THR 15 Cb 0.00 -4.33 0.02 0.00 0.01 0.00 0.00 72.50 68.20 2b3w s THR 15 CO 0.00 -0.79 1.31 -0.63 -0.69 0.00 0.00 174.62 173.82 2b3w s ILE 16 N 4.92 3.97 -0.60 1.82 -1.09 -1.26 -0.58 121.20 128.38 2b3w s ILE 16 Ca 0.56 0.94 -0.18 0.00 -2.23 0.00 0.00 60.65 59.74 2b3w s ILE 16 Cb -0.12 -4.44 0.11 0.00 -1.58 0.00 0.00 42.46 36.44 2b3w s ILE 16 CO 0.30 -1.00 0.68 -0.63 -1.23 0.00 0.00 174.94 173.06 2b3w s ILE 17 N 5.26 4.92 -0.51 2.92 1.01 0.60 -4.96 121.20 130.45 2b3w s ILE 17 Ca 0.53 -1.17 -0.21 0.00 0.00 0.00 0.00 60.65 59.80 2b3w s ILE 17 Cb -0.10 -4.47 0.04 0.00 0.01 0.00 0.00 42.46 37.94 2b3w s ILE 17 CO 0.30 -1.09 0.75 0.20 0.00 0.00 0.00 174.94 175.10 2b3w s ASN 18 N 3.57 6.29 -0.09 3.58 0.02 -1.26 -0.58 114.94 126.47 2b3w s ASN 18 Ca 0.11 -0.57 0.03 0.00 -1.02 0.00 0.00 52.86 51.41 2b3w s ASN 18 Cb -0.24 -2.35 -0.01 0.00 0.02 0.00 0.00 41.25 38.67 2b3w s ASN 18 CO 0.05 -0.99 -0.20 0.72 0.02 0.00 0.00 177.10 176.70 2b3w s PHE 19 N 3.15 2.62 -0.29 2.20 -0.12 -0.88 -4.97 117.98 119.69 2b3w s PHE 19 Ca 0.23 -0.72 0.01 0.00 -0.05 0.00 0.00 56.93 56.40 2b3w s PHE 19 Cb -0.16 -1.71 0.15 0.00 -0.63 0.00 0.00 43.02 40.68 2b3w s PHE 19 CO 0.16 -0.22 0.37 -0.47 -0.05 0.00 0.00 175.22 175.01 2b3w s TYR 20 N 0.06 -0.82 0.00 3.49 5.04 -1.26 -2.77 117.35 121.09 2b3w s TYR 20 Ca -0.08 0.17 0.00 0.00 -2.44 0.00 0.00 57.07 54.72 2b3w s TYR 20 Cb -0.15 -0.25 0.00 0.00 0.35 0.00 0.00 41.96 41.91 2b3w s TYR 20 CO 0.05 -0.96 0.00 0.43 -1.34 0.00 0.00 175.55 173.74 2b3w n SER 21 N 5.34 0.00 0.00 4.32 7.64 -1.26 -5.03 113.62 124.62 2b3w n SER 21 Ca -0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.99 2b3w n SER 21 Cb 0.48 0.00 0.70 0.00 -1.01 0.00 0.00 64.21 64.38 2b3w n SER 21 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2b3w n THR 22 N 0.00 0.00 1.07 0.44 -1.04 -1.26 -1.98 114.28 111.51 2b3w n THR 22 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 2b3w n THR 22 Cb 0.00 -0.37 0.24 0.00 -1.82 0.00 0.00 70.33 68.38 2b3w n THR 22 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2b3w n SER 23 N -0.87 0.76 -0.79 8.00 7.64 -1.26 -4.68 113.62 122.42 2b3w n SER 23 Ca 0.18 -0.56 0.00 0.00 1.01 0.00 0.00 58.87 59.50 2b3w n SER 23 Cb 0.08 0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 2b3w n SER 23 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2b3w n ASP 24 N -1.19 0.88 0.24 6.43 5.68 -1.19 -5.00 116.55 122.40 2b3w n ASP 24 Ca 0.07 -0.55 0.09 0.00 -0.50 0.00 0.00 54.79 53.91 2b3w n ASP 24 Cb 0.34 0.00 0.60 0.00 -1.14 0.00 0.00 41.12 40.93 2b3w n ASP 24 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 2b3w h ASP 25 N 0.00 0.00 0.24 -1.12 2.03 -1.92 0.22 116.42 115.87 2b3w h ASP 25 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2b3w h ASP 25 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2b3w h ASP 25 CO 0.00 0.18 -0.00 -1.22 -1.03 0.00 0.00 179.24 177.17 2b3w n TYR 26 N -3.81 0.00 0.44 4.15 4.01 -1.26 -3.31 117.16 117.38 2b3w n TYR 26 Ca -0.02 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.85 2b3w n TYR 26 Cb 0.29 -0.12 0.24 0.00 -0.31 0.00 0.00 39.34 39.43 2b3w n TYR 26 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2b3w h GLY 27 N 5.00 0.00 2.00 2.72 0.00 -0.29 -3.27 103.07 109.23 2b3w h GLY 27 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 2b3w h GLY 27 CO 0.00 0.00 -0.27 -1.80 0.00 0.00 0.00 176.54 174.47 2b3w h ASP 28 N 0.00 0.00 0.64 0.19 3.58 -1.68 -1.78 116.42 117.37 2b3w h ASP 28 Ca 0.00 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 2b3w h ASP 28 Cb 0.84 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 2b3w h ASP 28 CO 0.00 0.27 -0.29 -0.26 -2.88 0.00 0.00 179.24 176.09 2b3w h PHE 29 N 0.00 0.00 -3.16 0.28 0.04 -1.80 -3.41 116.94 108.89 2b3w h PHE 29 Ca -0.00 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.22 2b3w h PHE 29 Cb 0.62 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.76 2b3w h PHE 29 CO 0.00 0.29 0.62 -1.12 -0.60 0.00 0.00 178.31 177.50 2b3w s SER 30 N -6.42 7.11 0.65 2.17 0.01 -0.67 -4.91 113.70 111.64 2b3w s SER 30 Ca -0.01 1.81 0.42 0.00 1.31 0.00 0.00 55.95 59.49 2b3w s SER 30 Cb 0.12 -2.56 2.32 0.00 0.21 0.00 0.00 66.02 66.11 2b3w s SER 30 CO 0.66 -0.51 2.35 -0.55 0.41 0.00 0.00 173.24 175.59 2b3w h ASN 31 N 7.21 0.00 0.00 2.44 -1.07 -1.83 -1.42 115.58 120.92 2b3w h ASN 31 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.01 2b3w h ASN 31 Cb 1.18 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.43 2b3w h ASN 31 CO 0.85 0.00 0.00 0.33 0.07 0.00 0.00 177.43 178.68 2b3w n PHE 32 N -3.18 0.00 -2.06 4.14 7.35 -1.26 -4.10 117.46 118.34 2b3w n PHE 32 Ca -0.03 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.24 2b3w n PHE 32 Cb 0.08 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.88 2b3w n PHE 32 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2b3w s ALA 33 N -2.00 3.66 -1.42 3.13 0.00 -0.54 -4.89 121.76 119.70 2b3w s ALA 33 Ca 0.21 1.25 -0.09 0.00 0.00 0.00 0.00 51.96 53.32 2b3w s ALA 33 Cb 0.10 -3.56 -0.09 0.00 0.00 0.00 0.00 23.12 19.56 2b3w s ALA 33 CO 0.16 -0.69 2.99 0.00 0.00 0.00 0.00 175.76 178.23 2b3w n ALA 34 N 3.50 7.39 -2.74 0.00 0.00 -1.26 -4.74 120.51 122.65 2b3w n ALA 34 Ca 0.11 -3.39 -0.38 0.00 0.00 0.00 0.00 53.44 49.77 2b3w n ALA 34 Cb 0.41 -3.21 -0.11 0.00 0.00 0.00 0.00 19.45 16.54 2b3w n ALA 34 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2b3w s TRP 35 N 1.74 3.19 0.08 0.00 0.52 -1.23 -4.99 118.94 118.25 2b3w s TRP 35 Ca 0.68 -0.25 -0.33 0.00 0.02 0.00 0.00 56.10 56.22 2b3w s TRP 35 Cb 0.20 -2.37 -0.12 0.00 -1.15 0.00 0.00 33.47 30.03 2b3w s TRP 35 CO -0.06 -0.33 1.79 -2.30 0.02 0.00 0.00 176.95 176.07 2b3w n PRO 36 N 5.02 2.50 -4.90 4.98 -0.02 -1.24 -4.49 135.00 136.85 2b3w n PRO 36 Ca -0.14 0.91 -0.33 0.00 -2.02 0.00 0.00 63.50 61.92 2b3w n PRO 36 Cb 0.51 -2.77 -0.13 0.00 -0.02 0.00 0.00 33.50 31.09 2b3w n PRO 36 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2b3w s ILE 37 N 2.63 3.02 -0.45 4.25 -4.36 0.46 -4.95 121.20 121.79 2b3w s ILE 37 Ca 0.84 -0.74 -0.13 0.00 -0.26 0.00 0.00 60.65 60.36 2b3w s ILE 37 Cb -0.58 -2.18 0.07 0.00 1.25 0.00 0.00 42.46 41.03 2b3w s ILE 37 CO 0.41 0.59 0.34 -0.75 0.24 0.00 0.00 174.94 175.77 2b3w s LYS 38 N -0.66 2.84 -0.10 0.37 2.47 -1.26 0.33 119.74 123.72 2b3w s LYS 38 Ca 0.10 -1.39 0.01 0.00 -1.56 0.00 0.00 55.97 53.12 2b3w s LYS 38 Cb -0.11 -4.00 0.02 0.00 -1.46 0.00 0.00 37.83 32.28 2b3w s LYS 38 CO 0.01 -1.00 -0.10 0.08 0.16 0.00 0.00 175.35 174.50 2b3w s VAL 39 N 1.56 1.14 -1.84 4.02 1.01 0.83 -4.79 120.40 122.32 2b3w s VAL 39 Ca 0.04 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2b3w s VAL 39 Cb -0.24 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.04 2b3w s VAL 39 CO 0.05 0.38 0.00 0.47 0.00 0.00 0.00 175.10 176.00 2b3w n ASP 40 N 4.57 -5.64 0.00 3.32 8.00 -1.26 -1.63 116.55 123.90 2b3w n ASP 40 Ca -0.16 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.48 2b3w n ASP 40 Cb 0.51 -4.78 0.00 0.00 -0.02 0.00 0.00 41.12 36.83 2b3w n ASP 40 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2b3w n GLY 41 N -0.82 0.25 3.37 0.44 0.00 -1.26 -5.07 105.19 102.09 2b3w n GLY 41 Ca -0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 2b3w n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b3w s LYS 42 N -0.97 1.37 -0.32 1.61 1.02 -0.65 -5.12 119.74 116.70 2b3w s LYS 42 Ca 0.00 -1.52 -0.12 0.00 0.02 0.00 0.00 55.97 54.36 2b3w s LYS 42 Cb 0.00 -1.41 -0.03 0.00 -0.52 0.00 0.00 37.83 35.88 2b3w s LYS 42 CO 0.00 0.27 0.21 0.99 -0.92 0.00 0.00 175.35 175.91 2b3w s THR 43 N -2.28 5.21 -0.14 2.17 2.01 -1.26 -0.12 115.64 121.22 2b3w s THR 43 Ca 0.20 -0.10 -0.05 0.00 0.31 0.00 0.00 61.69 62.05 2b3w s THR 43 Cb -0.05 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 2b3w s THR 43 CO 0.08 0.09 0.02 0.26 -0.69 0.00 0.00 174.62 174.39 2b3w s TRP 44 N 1.72 3.19 0.24 4.92 0.52 0.15 -4.92 118.94 124.76 2b3w s TRP 44 Ca 0.06 0.05 -0.06 0.00 0.02 0.00 0.00 56.10 56.17 2b3w s TRP 44 Cb -0.17 -1.94 0.29 0.00 -1.15 0.00 0.00 33.47 30.50 2b3w s TRP 44 CO 0.10 0.25 1.88 -1.35 0.02 0.00 0.00 176.95 177.85 2b3w h PRO 45 N 6.07 1.07 -3.98 4.98 0.11 -1.86 0.13 132.00 138.53 2b3w h PRO 45 Ca -0.41 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 65.48 2b3w h PRO 45 Cb 1.18 -0.24 -0.10 0.00 0.11 0.00 0.00 31.00 31.95 2b3w h PRO 45 CO 0.63 0.71 -0.25 0.95 -0.21 0.00 0.00 178.00 179.83 2b3w s THR 46 N -6.09 0.00 0.30 -1.15 -4.23 -1.26 -3.48 115.64 99.73 2b3w s THR 46 Ca -0.13 -1.59 0.05 0.00 -1.18 0.00 0.00 61.69 58.84 2b3w s THR 46 Cb 0.18 -2.38 0.07 0.00 1.34 0.00 0.00 72.50 71.70 2b3w s THR 46 CO 0.80 0.00 1.74 0.77 -0.54 0.00 0.00 174.62 177.39 2b3w h SER 47 N 2.30 0.37 0.07 3.99 4.64 -1.86 -2.83 113.55 120.24 2b3w h SER 47 Ca -0.29 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 60.89 2b3w h SER 47 Cb 1.25 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2b3w h SER 47 CO 0.40 0.65 -0.06 -0.33 -0.87 0.00 0.00 176.83 176.63 2b3w h GLU 48 N 0.32 0.00 -0.13 4.77 3.07 -1.97 0.28 114.58 120.92 2b3w h GLU 48 Ca 0.04 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.89 2b3w h GLU 48 Cb 0.68 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.59 2b3w h GLU 48 CO 0.05 0.06 0.01 0.45 -1.40 0.00 0.00 179.01 178.17 2b3w h HIS 49 N 0.00 0.24 -0.12 4.33 3.86 -1.83 0.51 115.15 122.14 2b3w h HIS 49 Ca -0.00 -0.04 -0.18 0.00 -1.16 0.00 0.00 60.37 58.99 2b3w h HIS 49 Cb 0.11 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 2b3w h HIS 49 CO 0.00 0.44 -0.68 -0.92 0.86 0.00 0.00 177.93 177.63 2b3w h TYR 50 N -0.04 0.66 -0.11 2.45 3.20 -1.51 -1.78 116.97 119.84 2b3w h TYR 50 Ca 0.04 -0.27 0.01 0.00 3.14 0.00 0.00 58.73 61.64 2b3w h TYR 50 Cb 0.34 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 2b3w h TYR 50 CO 0.03 1.03 0.06 0.35 -1.64 0.00 0.00 178.16 177.98 2b3w h PHE 51 N 0.35 0.10 0.00 -3.82 3.57 -0.32 -2.32 116.94 114.51 2b3w h PHE 51 Ca -0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2b3w h PHE 51 Cb 1.25 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.96 2b3w h PHE 51 CO 0.05 0.06 -0.40 1.04 -2.23 0.00 0.00 178.31 176.83 2b3w n GLN 52 N -5.04 0.19 0.15 1.11 6.02 0.16 -1.65 117.38 118.32 2b3w n GLN 52 Ca -0.05 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 2b3w n GLN 52 Cb 0.04 -1.65 0.27 0.00 1.02 0.00 0.00 30.24 29.92 2b3w n GLN 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b3w h ALA 53 N 2.67 1.20 0.00 -1.58 0.00 -0.99 -2.55 119.26 118.00 2b3w h ALA 53 Ca 0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 2b3w h ALA 53 Cb 0.67 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2b3w h ALA 53 CO 0.00 0.59 -1.20 1.04 0.00 0.00 0.00 179.25 179.69 2b3w n GLN 54 N -3.98 0.61 0.15 0.00 3.00 -0.90 -4.22 117.38 112.04 2b3w n GLN 54 Ca -0.02 0.13 -0.14 0.00 -0.01 0.00 0.00 57.00 56.97 2b3w n GLN 54 Cb 0.49 -1.80 -0.07 0.00 0.00 0.00 0.00 30.24 28.87 2b3w n GLN 54 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 2b3w h LYS 55 N 0.00 -0.40 -6.17 -1.09 3.64 -0.97 -3.42 116.57 108.16 2b3w h LYS 55 Ca -0.05 0.03 -0.58 0.00 -1.27 0.00 0.00 60.65 58.77 2b3w h LYS 55 Cb 1.18 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 33.05 2b3w h LYS 55 CO 0.01 -0.26 -0.13 -0.06 -2.27 0.00 0.00 179.45 176.74 2b3w s PHE 56 N -6.11 3.70 -1.98 1.91 0.08 -0.99 -3.06 117.98 111.52 2b3w s PHE 56 Ca -0.15 1.06 0.21 0.00 0.12 0.00 0.00 56.93 58.17 2b3w s PHE 56 Cb 0.06 -2.35 0.61 0.00 -0.57 0.00 0.00 43.02 40.78 2b3w s PHE 56 CO 0.65 0.55 1.51 1.47 -0.10 0.00 0.00 175.22 179.30 2b3w n LEU 57 N 1.39 3.72 -4.61 -0.37 -0.00 -1.25 -4.85 117.00 111.03 2b3w n LEU 57 Ca -0.10 -1.86 -0.43 0.00 -0.00 0.00 0.00 56.01 53.62 2b3w n LEU 57 Cb 0.52 -0.47 -0.03 0.00 -0.00 0.00 0.00 43.42 43.45 2b3w n LEU 57 CO 0.40 0.92 1.50 -1.81 -0.00 0.00 0.00 177.39 178.41 2b3w s ASP 58 N -1.00 6.07 0.09 1.45 1.01 -1.26 -4.91 116.67 118.11 2b3w s ASP 58 Ca 0.46 1.55 -0.28 0.00 0.71 0.00 0.00 52.55 54.99 2b3w s ASP 58 Cb 0.24 -2.53 -0.12 0.00 1.01 0.00 0.00 42.92 41.53 2b3w s ASP 58 CO 0.31 -1.52 1.46 -0.08 0.21 0.00 0.00 175.17 175.54 2b3w h GLU 59 N 12.12 -0.59 0.00 8.23 4.81 -1.99 0.87 114.58 138.04 2b3w h GLU 59 Ca -0.35 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2b3w h GLU 59 Cb 1.17 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2b3w h GLU 59 CO 1.01 -0.40 0.00 0.87 -0.73 0.00 0.00 179.01 179.76 2b3w h LYS 60 N -0.62 0.00 0.14 1.92 1.57 -2.00 -2.70 116.57 114.89 2b3w h LYS 60 Ca -0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 2b3w h LYS 60 Cb 0.62 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.94 2b3w h LYS 60 CO -0.24 0.00 -1.31 -0.92 -0.57 0.00 0.00 179.45 176.41 2b3w h TYR 61 N 0.00 0.55 -0.58 -1.35 3.20 -1.89 -2.41 116.97 114.49 2b3w h TYR 61 Ca 0.00 -0.40 0.02 0.00 3.14 0.00 0.00 58.73 61.49 2b3w h TYR 61 Cb 0.78 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.00 2b3w h TYR 61 CO 0.00 1.33 0.37 -0.09 -1.64 0.00 0.00 178.16 178.12 2b3w h ARG 62 N 0.08 0.71 -0.99 1.82 2.43 -0.57 -0.67 114.38 117.20 2b3w h ARG 62 Ca -0.16 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.03 2b3w h ARG 62 Cb 2.00 -0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 31.33 2b3w h ARG 62 CO 0.21 0.47 0.64 0.93 -1.51 0.00 0.00 179.97 180.71 2b3w h GLU 63 N 0.73 1.13 -0.06 0.20 4.39 -1.46 0.21 114.58 119.71 2b3w h GLU 63 Ca 0.22 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 2b3w h GLU 63 Cb -0.02 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.37 2b3w h GLU 63 CO -0.08 0.75 0.03 1.49 -1.16 0.00 0.00 179.01 180.03 2b3w h GLU 64 N 1.16 0.09 0.00 2.33 4.57 -0.83 -0.67 114.58 121.24 2b3w h GLU 64 Ca 0.42 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.56 2b3w h GLU 64 Cb 0.16 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2b3w h GLU 64 CO -0.16 0.21 -0.14 0.82 -1.18 0.00 0.00 179.01 178.56 2b3w h ILE 65 N -0.05 0.38 0.00 2.32 2.04 -0.65 -0.45 117.51 121.10 2b3w h ILE 65 Ca 0.02 -0.85 -0.18 0.00 1.00 0.00 0.00 64.86 64.85 2b3w h ILE 65 Cb 0.15 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 2b3w h ILE 65 CO -0.00 0.14 -0.86 -0.09 0.00 0.00 0.00 178.15 177.34 2b3w h ARG 66 N 0.00 0.00 0.10 2.37 2.43 -0.38 -3.34 114.38 115.56 2b3w h ARG 66 Ca -0.00 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.86 2b3w h ARG 66 Cb 0.62 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 2b3w h ARG 66 CO 0.02 0.86 -1.62 -0.09 -1.51 0.00 0.00 179.97 177.63 2b3w h ARG 67 N 0.00 0.21 -6.26 0.20 2.43 -0.20 -3.45 114.38 107.31 2b3w h ARG 67 Ca -0.01 -0.36 -0.55 0.00 -0.81 0.00 0.00 59.98 58.25 2b3w h ARG 67 Cb 1.58 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 31.26 2b3w h ARG 67 CO 0.11 1.03 1.18 0.54 -1.51 0.00 0.00 179.97 181.32 2b3w s VAL 68 N -2.61 3.42 0.13 0.20 0.11 -0.27 -4.87 120.40 116.52 2b3w s VAL 68 Ca -0.10 0.49 -0.00 0.00 -2.93 0.00 0.00 61.98 59.44 2b3w s VAL 68 Cb 0.07 -3.38 -0.19 0.00 -1.53 0.00 0.00 36.38 31.35 2b3w s VAL 68 CO 0.83 -0.11 1.30 0.28 -3.33 0.00 0.00 175.10 174.08 2b3w h SER 69 N 10.76 0.34 -2.79 3.54 0.02 -1.90 -3.45 113.55 120.07 2b3w h SER 69 Ca -0.40 -0.29 -0.53 0.00 -0.84 0.00 0.00 61.79 59.72 2b3w h SER 69 Cb 1.19 -0.10 0.02 0.00 0.14 0.00 0.00 62.40 63.65 2b3w h SER 69 CO 0.97 1.13 0.92 -0.44 -1.14 0.00 0.00 176.83 178.26 2b3w s SER 70 N -6.99 6.67 0.11 3.07 0.01 -1.26 -4.78 113.70 110.52 2b3w s SER 70 Ca -0.03 2.42 -0.13 0.00 1.31 0.00 0.00 55.95 59.52 2b3w s SER 70 Cb 0.09 -2.57 -0.11 0.00 0.21 0.00 0.00 66.02 63.64 2b3w s SER 70 CO 0.85 -0.82 1.36 1.55 0.41 0.00 0.00 173.24 176.59 2b3w h PRO 71 N 7.78 0.81 0.00 12.44 0.13 -1.98 -3.21 132.00 147.98 2b3w h PRO 71 Ca -0.42 -0.55 -0.11 0.00 -0.87 0.00 0.00 66.00 64.05 2b3w h PRO 71 Cb 1.20 0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2b3w h PRO 71 CO 0.91 1.18 -0.50 0.52 -0.23 0.00 0.00 178.00 179.88 2b3w h MET 72 N 0.57 0.00 -0.55 0.86 2.86 -1.98 -2.61 114.93 114.07 2b3w h MET 72 Ca -0.00 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 2b3w h MET 72 Cb 1.19 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.83 2b3w h MET 72 CO 0.13 0.50 -0.07 0.28 1.06 0.00 0.00 176.91 178.81 2b3w h VAL 73 N 0.00 1.27 -0.86 -2.22 2.07 -1.97 -0.53 116.25 114.00 2b3w h VAL 73 Ca -0.01 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 2b3w h VAL 73 Cb 0.90 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 2b3w h VAL 73 CO 0.07 0.43 0.49 0.00 0.02 0.00 0.00 177.57 178.57 2b3w h ALA 74 N 0.99 1.23 -0.38 1.67 0.00 -1.47 -0.71 119.26 120.59 2b3w h ALA 74 Ca 0.15 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 2b3w h ALA 74 Cb 0.63 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2b3w h ALA 74 CO 0.04 0.63 -0.29 0.00 0.00 0.00 0.00 179.25 179.63 2b3w h ALA 75 N 1.33 0.76 0.53 0.00 0.00 -1.25 0.46 119.26 121.09 2b3w h ALA 75 Ca 0.31 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2b3w h ALA 75 Cb 0.01 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.66 2b3w h ALA 75 CO -0.05 0.65 -0.25 -0.09 0.00 0.00 0.00 179.25 179.51 2b3w h ARG 76 N 0.70 -0.68 0.00 0.00 2.43 -0.42 0.87 114.38 117.27 2b3w h ARG 76 Ca 0.08 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2b3w h ARG 76 Cb 0.84 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 2b3w h ARG 76 CO 0.07 -0.38 -0.21 0.00 -1.51 0.00 0.00 179.97 177.94 2b3w n MET 77 N -5.29 0.17 0.00 0.20 0.00 -0.34 -2.75 117.12 109.12 2b3w n MET 77 Ca -0.11 0.10 0.12 0.00 0.00 0.00 0.00 57.70 57.81 2b3w n MET 77 Cb 0.32 -1.66 0.16 0.00 0.00 0.00 0.00 33.22 32.04 2b3w n MET 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2b3w n GLY 78 N 1.39 -1.20 0.35 3.17 0.00 0.15 -4.23 105.19 104.82 2b3w n GLY 78 Ca 0.05 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.75 2b3w n GLY 78 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2b3w h ARG 79 N 0.00 0.87 -6.86 1.61 9.65 -0.63 -3.44 114.38 115.58 2b3w h ARG 79 Ca 0.00 -0.05 -0.54 0.00 -1.10 0.00 0.00 59.98 58.29 2b3w h ARG 79 Cb 0.52 -0.20 0.10 0.00 -1.39 0.00 0.00 29.97 29.00 2b3w h ARG 79 CO 0.00 0.58 0.83 -3.47 2.80 0.00 0.00 179.97 180.71 2b3w n ASP 80 N -4.68 3.84 -0.33 -3.80 2.03 -1.26 -4.91 116.55 107.43 2b3w n ASP 80 Ca 0.19 1.19 0.08 0.00 0.52 0.00 0.00 54.79 56.77 2b3w n ASP 80 Cb 0.40 -1.61 0.16 0.00 -0.72 0.00 0.00 41.12 39.36 2b3w n ASP 80 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2b3w n ARG 81 N 1.33 2.00 -0.01 -0.67 1.74 -1.26 -4.55 116.66 115.23 2b3w n ARG 81 Ca 0.05 -2.53 -0.07 0.00 -0.77 0.00 0.00 57.85 54.54 2b3w n ARG 81 Cb 0.38 -1.54 -0.13 0.00 -1.02 0.00 0.00 32.46 30.15 2b3w n ARG 81 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2b3w n SER 82 N -0.99 0.81 -4.72 0.55 7.64 -1.26 -4.91 113.62 110.74 2b3w n SER 82 Ca 0.16 0.38 -0.33 0.00 1.01 0.00 0.00 58.87 60.09 2b3w n SER 82 Cb 0.67 0.07 0.11 0.00 -1.01 0.00 0.00 64.21 64.05 2b3w n SER 82 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2b3w s LYS 83 N -2.67 1.86 -0.14 1.43 1.02 -1.26 -4.89 119.74 115.09 2b3w s LYS 83 Ca -0.05 1.60 -0.30 0.00 0.02 0.00 0.00 55.97 57.24 2b3w s LYS 83 Cb 0.08 -1.82 -0.07 0.00 -0.52 0.00 0.00 37.83 35.50 2b3w s LYS 83 CO 0.82 -2.01 2.13 -0.35 -0.92 0.00 0.00 175.35 175.02 2b3w n PRO 84 N -3.25 2.19 -3.66 -1.68 -0.04 -1.26 -4.98 135.00 122.32 2b3w n PRO 84 Ca 0.12 0.69 -0.20 0.00 -0.04 0.00 0.00 63.50 64.07 2b3w n PRO 84 Cb 0.51 -3.09 -0.01 0.00 -0.04 0.00 0.00 33.50 30.87 2b3w n PRO 84 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2b3w s LEU 85 N 6.88 4.00 0.31 1.53 1.43 -1.26 -3.94 118.68 127.63 2b3w s LEU 85 Ca 0.98 -0.17 -0.29 0.00 -1.03 0.00 0.00 54.13 53.62 2b3w s LEU 85 Cb -0.42 -2.69 -0.10 0.00 0.03 0.00 0.00 46.19 43.00 2b3w s LEU 85 CO 0.39 -0.32 1.31 -0.13 0.23 0.00 0.00 176.35 177.83 2b3w s ARG 86 N -4.09 4.36 0.53 1.70 0.52 -1.17 -4.90 118.95 115.90 2b3w s ARG 86 Ca 0.41 2.20 0.20 0.00 -0.52 0.00 0.00 55.73 58.02 2b3w s ARG 86 Cb -0.09 -3.09 1.41 0.00 0.52 0.00 0.00 34.95 33.70 2b3w s ARG 86 CO 0.30 -0.19 2.16 0.87 0.02 0.00 0.00 175.30 178.45 2b3w h LYS 87 N 3.65 0.00 -0.56 3.54 1.57 -1.98 -0.35 116.57 122.45 2b3w h LYS 87 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2b3w h LYS 87 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2b3w h LYS 87 CO 0.67 0.03 0.00 0.27 -0.57 0.00 0.00 179.45 179.85 2b3w n ASN 88 N -4.28 4.04 0.03 0.86 0.23 -1.26 -4.58 115.26 110.29 2b3w n ASN 88 Ca -0.03 -2.29 0.04 0.00 -0.53 0.00 0.00 54.58 51.78 2b3w n ASN 88 Cb 0.11 -0.47 0.45 0.00 -2.08 0.00 0.00 39.78 37.79 2b3w n ASN 88 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2b3w h TRP 89 N 3.40 0.46 0.00 -2.53 -0.00 -1.42 0.17 115.95 116.03 2b3w h TRP 89 Ca 0.00 0.01 -0.03 0.00 -0.00 0.00 0.00 58.89 58.88 2b3w h TRP 89 Cb 1.16 -0.16 -0.00 0.00 -0.00 0.00 0.00 29.16 30.16 2b3w h TRP 89 CO 0.54 0.29 -0.12 0.93 -0.00 0.00 0.00 178.44 180.08 2b3w h GLU 90 N 0.50 0.00 0.00 2.65 4.39 -1.81 -3.13 114.58 117.19 2b3w h GLU 90 Ca 0.14 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 59.41 2b3w h GLU 90 Cb -0.06 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.53 2b3w h GLU 90 CO -0.03 0.12 -2.49 0.45 -1.16 0.00 0.00 179.01 175.90 2b3w n SER 91 N -3.57 1.97 0.00 1.42 2.88 -0.20 -4.54 113.62 111.59 2b3w n SER 91 Ca -0.02 0.10 0.08 0.00 -1.33 0.00 0.00 58.87 57.70 2b3w n SER 91 Cb 0.26 -0.62 0.46 0.00 -0.75 0.00 0.00 64.21 63.56 2b3w n SER 91 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2b3w n VAL 92 N -3.74 0.00 -0.29 2.46 0.24 0.41 -3.13 118.33 114.28 2b3w n VAL 92 Ca -0.50 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 61.81 2b3w n VAL 92 Cb 0.94 -0.50 0.13 0.00 -1.47 0.00 0.00 33.84 32.94 2b3w n VAL 92 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2b3w h LYS 93 N 0.00 0.85 -0.89 7.34 1.57 -1.78 -0.72 116.57 122.94 2b3w h LYS 93 Ca 0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2b3w h LYS 93 Cb 0.00 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 2b3w h LYS 93 CO 0.00 0.56 0.52 0.93 -0.57 0.00 0.00 179.45 180.89 2b3w h GLU 94 N 0.88 1.22 0.05 3.15 5.08 -1.89 -1.13 114.58 121.94 2b3w h GLU 94 Ca 0.36 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2b3w h GLU 94 Cb 0.20 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2b3w h GLU 94 CO -0.18 0.87 -0.02 1.96 -1.00 0.00 0.00 179.01 180.63 2b3w h GLN 95 N 1.24 -0.06 -0.05 2.33 1.08 -1.52 -1.17 115.11 116.96 2b3w h GLN 95 Ca 0.32 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.52 2b3w h GLN 95 Cb -0.02 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.42 2b3w h GLN 95 CO -0.06 0.38 0.02 0.28 -0.95 0.00 0.00 178.83 178.50 2b3w h VAL 96 N -0.52 1.16 -0.37 -0.54 2.07 -1.10 -2.66 116.25 114.28 2b3w h VAL 96 Ca -0.01 -0.47 -0.09 0.00 0.82 0.00 0.00 66.70 66.96 2b3w h VAL 96 Cb 0.47 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 2b3w h VAL 96 CO 0.01 0.13 -0.12 -0.03 0.02 0.00 0.00 177.57 177.58 2b3w h MET 97 N -0.11 0.66 -0.63 1.57 1.85 -1.28 -1.68 114.93 115.30 2b3w h MET 97 Ca 0.02 -0.21 -0.01 0.00 -0.61 0.00 0.00 59.70 58.89 2b3w h MET 97 Cb 0.19 -0.06 -0.03 0.00 0.43 0.00 0.00 31.60 32.13 2b3w h MET 97 CO -0.00 0.76 0.36 -0.09 -0.40 0.00 0.00 176.91 177.54 2b3w h ARG 98 N 0.60 0.88 -0.18 0.39 2.43 -1.10 0.22 114.38 117.62 2b3w h ARG 98 Ca 0.10 -0.09 -0.14 0.00 -0.81 0.00 0.00 59.98 59.04 2b3w h ARG 98 Cb 0.56 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 2b3w h ARG 98 CO 0.04 0.65 -0.49 -0.22 -1.51 0.00 0.00 179.97 178.43 2b3w h LYS 99 N 0.86 0.49 -0.40 0.20 3.64 -1.23 -0.51 116.57 119.62 2b3w h LYS 99 Ca 0.22 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 2b3w h LYS 99 Cb 0.02 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2b3w h LYS 99 CO -0.04 0.87 0.04 0.00 -2.27 0.00 0.00 179.45 178.06 2b3w h ALA 100 N 1.08 0.54 -0.71 5.00 0.00 -0.76 -1.01 119.26 123.40 2b3w h ALA 100 Ca 0.02 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2b3w h ALA 100 Cb 1.00 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2b3w h ALA 100 CO 0.09 0.27 0.18 -0.07 0.00 0.00 0.00 179.25 179.73 2b3w h LEU 101 N 0.52 1.06 0.03 0.00 3.38 -0.47 -1.09 115.31 118.74 2b3w h LEU 101 Ca 0.12 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.89 2b3w h LEU 101 Cb 0.41 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2b3w h LEU 101 CO 0.01 1.01 -0.27 -0.09 0.09 0.00 0.00 178.44 179.19 2b3w h ARG 102 N 1.06 -0.42 -0.39 1.13 2.43 -0.86 -1.78 114.38 115.56 2b3w h ARG 102 Ca 0.22 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2b3w h ARG 102 Cb 0.36 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 2b3w h ARG 102 CO 0.00 -0.28 0.14 0.00 -1.51 0.00 0.00 179.97 178.32 2b3w h ALA 103 N 0.35 1.52 0.50 2.80 0.00 -0.98 0.80 119.26 124.26 2b3w h ALA 103 Ca 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2b3w h ALA 103 Cb 0.50 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2b3w h ALA 103 CO -0.22 0.37 -0.24 -0.22 0.00 0.00 0.00 179.25 178.94 2b3w h LYS 104 N 0.55 -0.65 0.00 0.00 3.64 -0.70 -1.28 116.57 118.13 2b3w h LYS 104 Ca 0.13 0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.40 2b3w h LYS 104 Cb 0.14 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2b3w h LYS 104 CO -0.01 -0.35 -0.74 0.74 -2.27 0.00 0.00 179.45 176.82 2b3w h PHE 105 N -0.87 0.00 0.19 1.91 -1.00 -1.23 -3.26 116.94 112.68 2b3w h PHE 105 Ca -0.07 0.00 -0.30 0.00 2.81 0.00 0.00 57.97 60.41 2b3w h PHE 105 Cb 0.59 0.00 0.03 0.00 3.61 0.00 0.00 35.95 40.18 2b3w h PHE 105 CO -0.00 0.74 -1.30 1.49 -1.61 0.00 0.00 178.31 177.62 2b3w h GLU 106 N 0.00 0.55 0.00 1.51 4.22 -0.89 -2.34 114.58 117.64 2b3w h GLU 106 Ca -0.01 -0.85 0.00 0.00 0.08 0.00 0.00 59.36 58.59 2b3w h GLU 106 Cb 1.48 0.30 0.00 0.00 0.50 0.00 0.00 28.75 31.03 2b3w h GLU 106 CO 0.10 1.39 0.00 0.94 -2.18 0.00 0.00 179.01 179.26 2b3w n GLN 107 N -3.80 0.19 -3.93 1.92 -0.06 -0.49 -4.16 117.38 107.05 2b3w n GLN 107 Ca -0.15 0.43 -0.31 0.00 -2.00 0.00 0.00 57.00 54.97 2b3w n GLN 107 Cb 1.02 -1.88 -0.15 0.00 -4.06 0.00 0.00 30.24 25.17 2b3w n GLN 107 CO 0.00 0.00 0.00 -1.01 -0.20 0.00 0.00 177.06 175.85 2b3w s HIS 108 N -3.33 2.67 0.49 3.69 3.76 -1.23 -4.98 115.29 116.36 2b3w s HIS 108 Ca 0.04 -2.09 0.18 0.00 -0.15 0.00 0.00 55.06 53.04 2b3w s HIS 108 Cb 0.09 -1.94 1.22 0.00 1.11 0.00 0.00 32.58 33.06 2b3w s HIS 108 CO 0.39 -0.84 2.03 0.00 -0.85 0.00 0.00 174.74 175.46 2b3w h ALA 109 N 7.88 2.19 -0.37 -1.40 0.00 -1.75 -0.07 119.26 125.74 2b3w h ALA 109 Ca -0.14 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2b3w h ALA 109 Cb 1.05 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2b3w h ALA 109 CO 0.45 -0.29 0.14 0.93 0.00 0.00 0.00 179.25 180.48 2b3w h GLU 110 N 0.16 0.29 -0.09 0.00 3.07 -1.94 -0.83 114.58 115.25 2b3w h GLU 110 Ca 0.20 -0.02 -0.24 0.00 -0.50 0.00 0.00 59.36 58.80 2b3w h GLU 110 Cb 0.58 -0.07 0.01 0.00 -0.84 0.00 0.00 28.75 28.44 2b3w h GLU 110 CO -0.03 0.19 -0.89 -0.07 -1.40 0.00 0.00 179.01 176.81 2b3w h LEU 111 N 0.30 0.93 -0.19 1.33 3.38 -1.30 -1.83 115.31 117.93 2b3w h LEU 111 Ca 0.17 -0.66 0.01 0.00 0.09 0.00 0.00 57.88 57.48 2b3w h LEU 111 Cb 0.13 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2b3w h LEU 111 CO -0.16 1.47 0.09 -0.09 0.09 0.00 0.00 178.44 179.84 2b3w h ARG 112 N 0.48 0.20 -0.36 1.13 2.43 -0.64 0.15 114.38 117.76 2b3w h ARG 112 Ca -0.09 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.01 2b3w h ARG 112 Cb 1.53 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 31.02 2b3w h ARG 112 CO 0.18 0.13 -0.04 0.00 -1.51 0.00 0.00 179.97 178.73 2b3w h ALA 113 N 1.10 1.26 -0.51 2.80 0.00 -1.16 -1.87 119.26 120.88 2b3w h ALA 113 Ca 0.08 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2b3w h ALA 113 Cb 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2b3w h ALA 113 CO -0.06 0.49 0.06 1.25 0.00 0.00 0.00 179.25 180.99 2b3w h LEU 114 N 0.55 0.78 0.04 0.00 5.85 -0.71 -1.64 115.31 120.19 2b3w h LEU 114 Ca 0.11 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 2b3w h LEU 114 Cb 0.41 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2b3w h LEU 114 CO 0.02 0.81 -0.02 0.25 -0.34 0.00 0.00 178.44 179.16 2b3w h LEU 115 N 0.78 -0.05 -1.83 2.25 5.85 0.06 -2.46 115.31 119.91 2b3w h LEU 115 Ca 0.16 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2b3w h LEU 115 Cb 0.39 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2b3w h LEU 115 CO 0.01 0.16 0.00 -0.07 -0.34 0.00 0.00 178.44 178.20 2b3w h LEU 116 N -0.26 0.00 -1.22 2.25 4.07 -1.35 -2.18 115.31 116.62 2b3w h LEU 116 Ca -0.01 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.87 2b3w h LEU 116 Cb 0.23 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 2b3w h LEU 116 CO 0.01 0.00 -0.38 0.00 -1.08 0.00 0.00 178.44 176.99 2b3w h ALA 117 N 2.01 1.36 -0.00 1.53 0.00 -0.82 -2.70 119.26 120.64 2b3w h ALA 117 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2b3w h ALA 117 Cb 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2b3w h ALA 117 CO 0.00 0.48 -0.00 0.25 0.00 0.00 0.00 179.25 179.98 2b3w n THR 118 N -4.08 0.00 -3.11 0.00 -2.24 -0.82 -3.40 114.28 100.63 2b3w n THR 118 Ca -0.02 -0.03 -0.39 0.00 -2.27 0.00 0.00 64.05 61.34 2b3w n THR 118 Cb 0.42 -0.37 -0.06 0.00 -2.10 0.00 0.00 70.33 68.21 2b3w n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b3w s ALA 119 N -2.05 3.51 -1.11 6.98 0.00 -1.02 0.70 121.76 128.78 2b3w s ALA 119 Ca 0.45 0.22 -0.07 0.00 0.00 0.00 0.00 51.96 52.56 2b3w s ALA 119 Cb 0.22 -2.82 0.29 0.00 0.00 0.00 0.00 23.12 20.80 2b3w s ALA 119 CO 0.37 0.34 1.35 -0.35 0.00 0.00 0.00 175.76 177.47 2b3w n PRO 120 N 1.66 4.01 -3.96 0.00 -0.04 -1.26 -4.22 135.00 131.19 2b3w n PRO 120 Ca -0.08 -4.44 -0.26 0.00 -0.04 0.00 0.00 63.50 58.68 2b3w n PRO 120 Cb 0.50 -2.57 -0.02 0.00 -0.04 0.00 0.00 33.50 31.36 2b3w n PRO 120 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2b3w s ALA 121 N -1.85 4.24 -0.17 0.55 0.00 0.22 -0.82 121.76 123.93 2b3w s ALA 121 Ca 0.32 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.92 2b3w s ALA 121 Cb -0.01 -0.64 0.02 0.00 0.00 0.00 0.00 23.12 22.48 2b3w s ALA 121 CO 0.02 -0.35 -0.19 0.21 0.00 0.00 0.00 175.76 175.45 2b3w s LYS 122 N -4.18 2.87 -0.14 0.00 2.20 0.26 -4.86 119.74 115.89 2b3w s LYS 122 Ca 0.34 -0.78 -0.24 0.00 -0.36 0.00 0.00 55.97 54.93 2b3w s LYS 122 Cb -0.01 -2.47 -0.02 0.00 -1.51 0.00 0.00 37.83 33.81 2b3w s LYS 122 CO 0.20 -0.19 0.74 -0.51 -0.36 0.00 0.00 175.35 175.23 2b3w s LEU 123 N 1.28 4.22 -0.14 5.43 1.43 -1.26 -0.29 118.68 129.35 2b3w s LEU 123 Ca 0.04 1.10 -0.01 0.00 -1.03 0.00 0.00 54.13 54.23 2b3w s LEU 123 Cb -0.13 -3.10 0.04 0.00 0.03 0.00 0.00 46.19 43.03 2b3w s LEU 123 CO -0.11 -0.27 -0.04 -0.69 0.23 0.00 0.00 176.35 175.47 2b3w s VAL 124 N 1.61 0.90 0.01 -1.59 1.01 0.25 -4.62 120.40 117.98 2b3w s VAL 124 Ca 0.36 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 2b3w s VAL 124 Cb -0.17 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 2b3w s VAL 124 CO 0.14 0.18 0.98 -0.70 0.00 0.00 0.00 175.10 175.70 2b3w s GLU 125 N 1.73 4.57 -0.61 2.72 2.56 -1.26 -2.08 118.70 126.33 2b3w s GLU 125 Ca 0.02 1.42 0.05 0.00 0.00 0.00 0.00 54.97 56.47 2b3w s GLU 125 Cb -0.14 -3.45 0.19 0.00 2.00 0.00 0.00 34.13 32.73 2b3w s GLU 125 CO -0.07 -0.02 0.51 1.58 -0.56 0.00 0.00 175.26 176.70 2b3w n HIS 126 N 3.78 2.20 -2.95 5.30 -0.00 -1.11 -2.26 115.22 120.19 2b3w n HIS 126 Ca 0.06 -4.02 -0.42 0.00 -0.00 0.00 0.00 57.72 53.33 2b3w n HIS 126 Cb 0.51 -0.41 -0.05 0.00 -0.00 0.00 0.00 29.99 30.04 2b3w n HIS 126 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 2b3w s THR 127 N -1.32 4.72 -0.08 3.57 -1.32 -1.26 -4.63 115.64 115.32 2b3w s THR 127 Ca 0.30 0.89 -0.01 0.00 -1.21 0.00 0.00 61.69 61.66 2b3w s THR 127 Cb 0.03 -4.22 0.02 0.00 -1.51 0.00 0.00 72.50 66.81 2b3w s THR 127 CO -0.14 -0.45 2.20 1.21 -2.21 0.00 0.00 174.62 175.22 2b3w n GLU 128 N 6.46 1.30 0.00 7.08 4.07 -1.26 -3.09 120.64 135.20 2b3w n GLU 128 Ca 0.03 -0.48 0.00 0.00 -0.06 0.00 0.00 57.16 56.65 2b3w n GLU 128 Cb 0.48 -1.26 0.00 0.00 -0.06 0.00 0.00 31.44 30.61 2b3w n GLU 128 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2b3w n ASN 129 N 1.36 0.00 -4.01 4.31 5.15 -1.26 -4.94 115.26 115.86 2b3w n ASN 129 Ca 0.12 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.78 2b3w n ASN 129 Cb 0.56 0.03 -0.14 0.00 -0.53 0.00 0.00 39.78 39.71 2b3w n ASN 129 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 2b3w s ASP 130 N -0.83 4.71 -1.08 1.20 -4.77 -1.26 -5.04 116.67 109.61 2b3w s ASP 130 Ca 0.00 -2.53 -0.22 0.00 -3.30 0.00 0.00 52.55 46.49 2b3w s ASP 130 Cb 0.00 -1.68 0.00 0.00 -1.09 0.00 0.00 42.92 40.15 2b3w s ASP 130 CO 0.00 -0.34 1.74 0.00 0.70 0.00 0.00 175.17 177.26 2b3w s ALA 131 N 0.39 2.39 -0.18 2.11 0.00 -1.26 -4.80 121.76 120.40 2b3w s ALA 131 Ca 0.13 -2.18 -0.07 0.00 0.00 0.00 0.00 51.96 49.85 2b3w s ALA 131 Cb -0.22 -4.59 0.08 0.00 0.00 0.00 0.00 23.12 18.39 2b3w s ALA 131 CO -0.04 -4.17 0.39 -0.47 0.00 0.00 0.00 175.76 171.47 2b3w s TYR 132 N 7.31 -0.69 0.00 0.00 5.04 -1.14 -4.53 117.35 123.33 2b3w s TYR 132 Ca 0.58 1.38 0.00 0.00 -2.44 0.00 0.00 57.07 56.59 2b3w s TYR 132 Cb -0.01 0.24 0.00 0.00 0.35 0.00 0.00 41.96 42.54 2b3w s TYR 132 CO 0.01 -0.43 0.00 0.91 -1.34 0.00 0.00 175.55 174.70 2b3w n TRP 133 N 5.15 0.00 -4.00 4.97 7.02 0.47 -4.93 117.44 126.12 2b3w n TRP 133 Ca -0.11 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.22 2b3w n TRP 133 Cb 0.51 -0.26 -0.15 0.00 -2.42 0.00 0.00 31.31 28.99 2b3w n TRP 133 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 2b3w s GLY 134 N -1.97 0.17 0.00 6.99 0.00 -1.02 -2.79 107.32 108.70 2b3w s GLY 134 Ca 0.00 -0.04 0.12 0.00 0.00 0.00 0.00 44.72 44.80 2b3w s GLY 134 CO 0.00 0.10 1.12 1.34 0.00 0.00 0.00 173.10 175.66 2b3w n ASP 135 N 3.34 0.00 -0.25 1.64 2.03 -0.96 -3.90 116.55 118.46 2b3w n ASP 135 Ca -0.17 -0.52 0.00 0.00 0.52 0.00 0.00 54.79 54.62 2b3w n ASP 135 Cb 0.56 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 2b3w n ASP 135 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2b3w n GLY 136 N -0.11 -0.73 0.08 0.27 0.00 -1.23 -1.20 105.19 102.28 2b3w n GLY 136 Ca 0.09 -1.11 0.12 0.00 0.00 0.00 0.00 46.02 45.12 2b3w n GLY 136 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2b3w h GLY 137 N 0.00 0.00 0.04 -0.02 0.00 -1.85 -3.38 103.07 97.86 2b3w h GLY 137 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2b3w h GLY 137 CO 0.00 0.00 -1.66 -2.39 0.00 0.00 0.00 176.54 172.49 2b3w n HIS 138 N -2.33 0.03 -0.82 5.60 -0.00 -1.26 -5.02 115.22 111.42 2b3w n HIS 138 Ca 0.02 0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 2b3w n HIS 138 Cb 0.49 -0.36 0.00 0.00 -0.00 0.00 0.00 29.99 30.12 2b3w n HIS 138 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2b3w n GLY 139 N 1.33 0.77 0.00 -1.39 0.00 -0.84 -5.05 105.19 100.01 2b3w n GLY 139 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2b3w n GLY 139 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2b3w n LYS 140 N -0.76 0.00 0.00 1.61 4.81 -0.34 -5.05 118.16 118.43 2b3w n LYS 140 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2b3w n LYS 140 Cb 0.27 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.32 2b3w n LYS 140 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2b3w n GLY 141 N 0.00 0.25 2.91 3.14 0.00 -1.11 -4.84 105.19 105.53 2b3w n GLY 141 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2b3w n GLY 141 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2b3w n LYS 142 N -0.18 -3.96 0.00 1.61 5.02 -1.26 -0.40 118.16 119.00 2b3w n LYS 142 Ca 0.00 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 2b3w n LYS 142 Cb 0.17 -5.08 0.00 0.00 -0.02 0.00 0.00 35.03 30.11 2b3w n LYS 142 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2b3w n ASN 143 N -2.75 0.00 0.11 4.39 5.15 -1.25 -2.76 115.26 118.15 2b3w n ASN 143 Ca -0.16 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 53.86 2b3w n ASN 143 Cb 0.62 0.00 0.24 0.00 -0.53 0.00 0.00 39.78 40.11 2b3w n ASN 143 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2b3w n ARG 144 N -0.67 0.06 0.03 1.20 1.74 -1.25 -0.07 116.66 117.69 2b3w n ARG 144 Ca 0.00 0.48 -0.12 0.00 -0.77 0.00 0.00 57.85 57.44 2b3w n ARG 144 Cb 0.00 -1.97 -0.07 0.00 -1.02 0.00 0.00 32.46 29.40 2b3w n ARG 144 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2b3w h LEU 145 N 0.00 0.02 -1.44 0.55 5.85 -1.63 0.42 115.31 119.08 2b3w h LEU 145 Ca 0.00 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 2b3w h LEU 145 Cb 0.54 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2b3w h LEU 145 CO 0.00 0.04 0.01 1.23 -0.34 0.00 0.00 178.44 179.38 2b3w h GLY 146 N -0.01 0.39 1.05 3.75 0.00 -0.64 -1.81 103.07 105.81 2b3w h GLY 146 Ca 0.01 -0.21 -0.13 0.00 0.00 0.00 0.00 47.33 47.00 2b3w h GLY 146 CO -0.00 0.20 -0.25 -1.82 0.00 0.00 0.00 176.54 174.67 2b3w h TYR 147 N 0.36 1.01 -0.78 5.60 3.20 -1.27 -1.18 116.97 123.91 2b3w h TYR 147 Ca 0.08 -0.27 0.05 0.00 3.14 0.00 0.00 58.73 61.74 2b3w h TYR 147 Cb 0.24 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.23 2b3w h TYR 147 CO 0.01 1.06 0.51 -0.07 -1.64 0.00 0.00 178.16 178.02 2b3w h LEU 148 N 0.68 0.77 -0.86 2.82 3.38 0.28 0.17 115.31 122.55 2b3w h LEU 148 Ca 0.08 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2b3w h LEU 148 Cb 0.82 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2b3w h LEU 148 CO 0.07 0.51 0.07 -0.07 0.09 0.00 0.00 178.44 179.11 2b3w h LEU 149 N 0.88 0.88 0.02 1.67 3.38 -0.94 0.22 115.31 121.41 2b3w h LEU 149 Ca 0.32 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2b3w h LEU 149 Cb 0.16 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2b3w h LEU 149 CO -0.11 0.90 -0.01 0.24 0.09 0.00 0.00 178.44 179.55 2b3w h MET 150 N 0.87 -0.03 -0.25 1.13 2.86 0.19 -0.99 114.93 118.71 2b3w h MET 150 Ca 0.18 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.69 2b3w h MET 150 Cb 0.41 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 2b3w h MET 150 CO 0.01 0.29 -0.39 1.49 1.06 0.00 0.00 176.91 179.37 2b3w h GLU 151 N -0.34 0.57 -0.53 1.72 4.81 -0.67 -1.82 114.58 118.31 2b3w h GLU 151 Ca -0.00 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 2b3w h GLU 151 Cb 0.33 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 2b3w h GLU 151 CO 0.00 0.87 0.27 1.25 -0.73 0.00 0.00 179.01 180.68 2b3w h LEU 152 N 0.47 0.69 -0.89 1.64 5.85 -0.58 -1.81 115.31 120.69 2b3w h LEU 152 Ca 0.04 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.74 2b3w h LEU 152 Cb 0.89 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.67 2b3w h LEU 152 CO 0.08 0.61 0.53 -0.09 -0.34 0.00 0.00 178.44 179.23 2b3w h ARG 153 N 0.72 0.87 -0.23 1.25 2.43 -0.71 -0.34 114.38 118.37 2b3w h ARG 153 Ca 0.19 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.19 2b3w h ARG 153 Cb 0.09 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 2b3w h ARG 153 CO -0.03 0.58 -0.33 1.49 -1.51 0.00 0.00 179.97 180.17 2b3w h GLU 154 N 0.90 0.47 -0.55 0.20 4.81 -0.89 0.71 114.58 120.24 2b3w h GLU 154 Ca 0.42 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 59.38 2b3w h GLU 154 Cb 0.35 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 2b3w h GLU 154 CO -0.23 0.75 0.08 1.96 -0.73 0.00 0.00 179.01 180.83 2b3w h GLN 155 N 0.41 0.91 0.00 1.92 4.20 -0.45 -0.70 115.11 121.40 2b3w h GLN 155 Ca 0.05 -0.25 -0.07 0.00 0.06 0.00 0.00 58.65 58.44 2b3w h GLN 155 Cb 0.78 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 2b3w h GLN 155 CO 0.06 0.89 -0.32 -0.07 -0.67 0.00 0.00 178.83 178.72 2b3w h LEU 156 N 0.80 0.00 -0.37 1.46 3.38 -0.68 -2.06 115.31 117.83 2b3w h LEU 156 Ca 0.16 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 2b3w h LEU 156 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2b3w h LEU 156 CO 0.01 0.32 -0.32 0.00 0.09 0.00 0.00 178.44 178.55 2b3w h ALA 157 N 1.68 0.54 -0.38 1.53 0.00 -0.34 -1.40 119.26 120.89 2b3w h ALA 157 Ca -0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 2b3w h ALA 157 Cb 0.61 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2b3w h ALA 157 CO 0.04 0.59 0.24 0.82 0.00 0.00 0.00 179.25 180.94 2b3w h ILE 158 N 0.67 1.12 -0.78 0.00 2.04 -0.59 0.50 117.51 120.46 2b3w h ILE 158 Ca 0.07 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 2b3w h ILE 158 Cb 0.90 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 2b3w h ILE 158 CO 0.08 0.12 0.44 -0.08 0.00 0.00 0.00 178.15 178.71 2b3w h GLU 159 N 0.51 1.08 -0.12 2.37 4.22 -1.36 -1.89 114.58 119.39 2b3w h GLU 159 Ca 0.14 -0.11 -0.13 0.00 0.08 0.00 0.00 59.36 59.33 2b3w h GLU 159 Cb -0.02 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 2b3w h GLU 159 CO -0.03 0.78 -0.49 -0.22 -2.18 0.00 0.00 179.01 176.88 2b3w h LYS 160 N 1.09 0.31 0.00 1.92 3.64 -0.56 -2.34 116.57 120.62 2b3w h LYS 160 Ca 0.28 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2b3w h LYS 160 Cb 0.01 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2b3w h LYS 160 CO -0.05 0.73 0.00 1.28 -2.27 0.00 0.00 179.45 179.15 2b3w n LEU 161 N -3.96 0.09 -0.27 5.20 4.32 0.17 -1.17 117.00 121.37 2b3w n LEU 161 Ca -0.02 0.52 0.02 0.00 -0.02 0.00 0.00 56.01 56.52 2b3w n LEU 161 Cb 0.55 -0.51 0.06 0.00 -1.62 0.00 0.00 43.42 41.89 2b3w n LEU 161 CO 0.44 -0.33 0.55 -0.62 -1.22 0.00 0.00 177.39 176.21 2b3w n GLU 162 N -1.60 1.33 -1.51 3.23 -0.58 -0.88 -4.87 120.64 115.77 2b3w n GLU 162 Ca 0.03 -0.50 -0.45 0.00 -0.42 0.00 0.00 57.16 55.82 2b3w n GLU 162 Cb 0.15 -1.12 -0.06 0.00 -0.57 0.00 0.00 31.44 29.84 2b3w n GLU 162 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2b3w n HIS 163 N -0.09 1.53 -3.15 -0.32 1.44 -0.32 -4.85 115.22 109.46 2b3w n HIS 163 Ca 0.05 0.17 -0.08 0.00 -2.01 0.00 0.00 57.72 55.84 2b3w n HIS 163 Cb 0.12 -2.58 -0.03 0.00 0.12 0.00 0.00 29.99 27.62 2b3w n HIS 163 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2b3w s HIS 164 N 8.85 -1.04 -0.05 -1.40 5.04 -1.26 -5.14 115.29 120.28 2b3w s HIS 164 Ca 1.08 -0.52 -0.08 0.00 -1.54 0.00 0.00 55.06 54.00 2b3w s HIS 164 Cb -0.63 0.00 0.02 0.00 0.04 0.00 0.00 32.58 32.01 2b3w s HIS 164 CO 0.41 -1.12 0.21 -3.38 -2.34 0.00 0.00 174.74 168.52 2b3w s HIS 165 N 1.29 -0.16 -1.34 3.88 -3.43 -1.26 -5.07 115.29 109.20 2b3w s HIS 165 Ca 0.22 0.37 -0.17 0.00 -0.80 0.00 0.00 55.06 54.68 2b3w s HIS 165 Cb -0.05 0.05 0.04 0.00 -1.43 0.00 0.00 32.58 31.19 2b3w s HIS 165 CO -0.06 -0.18 1.94 0.72 -2.00 0.00 0.00 174.74 175.15 2b3w n HIS 166 N 2.42 4.04 0.00 0.38 8.25 -1.26 -3.25 115.22 125.80 2b3w n HIS 166 Ca -0.16 -2.79 0.00 0.00 -0.26 0.00 0.00 57.72 54.51 2b3w n HIS 166 Cb 0.57 -2.57 0.00 0.00 1.12 0.00 0.00 29.99 29.11 2b3w n HIS 166 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2b3w n HIS 167 N 7.78 0.00 -1.64 4.41 8.25 -1.26 -5.37 115.22 127.39 2b3w n HIS 167 Ca 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.96 2b3w n HIS 167 Cb 0.43 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.54 2b3w n HIS 167 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56