#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 2.98 -0.20 0.03 0.04 -1.26 -4.93 135.00 131.66 2b3w s PRO 2 Ca 0.00 -0.21 -0.32 0.00 0.04 0.00 0.00 61.00 60.51 2b3w s PRO 2 Cb 0.00 -4.70 -0.09 0.00 0.04 0.00 0.00 34.50 29.75 2b3w s PRO 2 CO 0.00 -2.60 2.09 0.28 0.04 0.00 0.00 177.00 176.81 2b3w n VAL 3 N 7.06 0.40 -2.71 -0.36 0.31 -1.26 -4.88 118.33 116.89 2b3w n VAL 3 Ca 0.23 -0.27 -0.43 0.00 -0.01 0.00 0.00 64.34 63.87 2b3w n VAL 3 Cb 0.50 -2.05 -0.02 0.00 -0.91 0.00 0.00 33.84 31.36 2b3w n VAL 3 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2b3w s ARG 4 N 5.46 3.75 -1.30 5.55 3.00 -1.26 -4.92 118.95 129.23 2b3w s ARG 4 Ca 1.00 -1.67 -0.14 0.00 -1.00 0.00 0.00 55.73 53.92 2b3w s ARG 4 Cb -0.61 -5.25 0.11 0.00 0.00 0.00 0.00 34.95 29.20 2b3w s ARG 4 CO 0.45 -2.05 1.76 0.00 0.00 0.00 0.00 175.30 175.45 2b3w n ALA 5 N 7.77 4.32 -2.79 6.12 0.00 -1.26 -4.22 120.51 130.44 2b3w n ALA 5 Ca 0.35 -4.06 -0.43 0.00 0.00 0.00 0.00 53.44 49.30 2b3w n ALA 5 Cb 0.48 -3.32 -0.01 0.00 0.00 0.00 0.00 19.45 16.61 2b3w n ALA 5 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2b3w s GLN 6 N 2.55 3.86 -0.48 0.00 0.74 -1.26 -4.95 119.66 120.12 2b3w s GLN 6 Ca 0.47 -2.00 -0.19 0.00 0.05 0.00 0.00 55.36 53.70 2b3w s GLN 6 Cb 0.05 -5.19 0.05 0.00 1.10 0.00 0.00 33.01 29.01 2b3w s GLN 6 CO 0.01 -1.96 0.56 1.03 -0.55 0.00 0.00 175.29 174.39 2b3w s ARG 7 N 3.05 3.12 -1.20 1.67 0.52 -1.26 -4.99 118.95 119.86 2b3w s ARG 7 Ca 0.43 -0.85 -0.19 0.00 -0.52 0.00 0.00 55.73 54.60 2b3w s ARG 7 Cb -0.01 -4.06 0.07 0.00 0.52 0.00 0.00 34.95 31.47 2b3w s ARG 7 CO -0.02 -1.10 1.63 0.42 0.02 0.00 0.00 175.30 176.25 2b3w s ILE 8 N 2.45 4.09 -0.03 1.52 1.01 -1.17 -4.71 121.20 124.36 2b3w s ILE 8 Ca 0.14 -1.56 0.32 0.00 0.00 0.00 0.00 60.65 59.55 2b3w s ILE 8 Cb -0.19 -5.14 0.37 0.00 0.01 0.00 0.00 42.46 37.51 2b3w s ILE 8 CO 0.13 -1.98 1.92 -0.61 0.00 0.00 0.00 174.94 174.40 2b3w h GLN 9 N 8.30 0.00 -2.74 2.79 4.15 -1.95 -3.33 115.11 122.34 2b3w h GLN 9 Ca 0.36 0.00 -0.73 0.00 0.77 0.00 0.00 58.65 59.05 2b3w h GLN 9 Cb 0.92 0.00 -0.34 0.00 0.21 0.00 0.00 27.48 28.27 2b3w h GLN 9 CO 1.44 0.00 0.21 1.58 -1.93 0.00 0.00 178.83 180.13 2b3w n HIS 10 N -2.95 3.05 -3.01 3.99 -0.00 -1.26 -5.03 115.22 110.01 2b3w n HIS 10 Ca 0.01 -3.33 -0.33 0.00 0.46 0.00 0.00 57.72 54.53 2b3w n HIS 10 Cb 0.31 -1.02 -0.06 0.00 -0.12 0.00 0.00 29.99 29.09 2b3w n HIS 10 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 2b3w s VAL 11 N -2.49 4.55 0.00 3.57 -7.23 -1.25 -5.04 120.40 112.51 2b3w s VAL 11 Ca 0.34 1.19 0.00 0.00 -1.81 0.00 0.00 61.98 61.69 2b3w s VAL 11 Cb 0.06 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.38 2b3w s VAL 11 CO 0.04 -0.21 0.34 0.23 -0.31 0.00 0.00 175.10 175.18 2b3w n MET 12 N -0.40 0.00 -2.79 4.82 2.81 -1.26 -4.90 117.12 115.40 2b3w n MET 12 Ca 0.05 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.92 2b3w n MET 12 Cb 0.53 -0.83 0.02 0.00 -0.71 0.00 0.00 33.22 32.22 2b3w n MET 12 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 2b3w s GLN 13 N -0.68 0.53 -0.16 0.03 0.74 -1.26 -5.05 119.66 113.81 2b3w s GLN 13 Ca 0.00 -0.42 -0.11 0.00 0.05 0.00 0.00 55.36 54.88 2b3w s GLN 13 Cb 0.00 0.00 0.04 0.00 1.10 0.00 0.00 33.01 34.15 2b3w s GLN 13 CO 0.00 -0.68 0.22 -3.47 -0.55 0.00 0.00 175.29 170.80 2b3w n ASP 14 N 3.16 -0.58 -4.36 6.67 -0.08 -1.26 -5.06 116.55 115.03 2b3w n ASP 14 Ca 0.12 1.16 -0.29 0.00 -1.51 0.00 0.00 54.79 54.28 2b3w n ASP 14 Cb 0.61 -4.69 -0.14 0.00 2.34 0.00 0.00 41.12 39.24 2b3w n ASP 14 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2b3w s THR 15 N -0.59 2.16 -0.57 5.18 -1.32 -1.26 -4.91 115.64 114.33 2b3w s THR 15 Ca -0.25 -1.61 -0.24 0.00 -1.21 0.00 0.00 61.69 58.38 2b3w s THR 15 Cb 0.02 -1.89 0.05 0.00 -1.51 0.00 0.00 72.50 69.16 2b3w s THR 15 CO 0.69 0.17 0.96 -0.63 -2.21 0.00 0.00 174.62 173.60 2b3w s ILE 16 N -0.98 4.35 -0.93 5.08 1.09 -1.26 0.26 121.20 128.82 2b3w s ILE 16 Ca 0.13 0.19 -0.18 0.00 -1.10 0.00 0.00 60.65 59.68 2b3w s ILE 16 Cb -0.10 -4.57 0.14 0.00 -1.06 0.00 0.00 42.46 36.86 2b3w s ILE 16 CO 0.05 -1.19 1.11 -0.63 -0.10 0.00 0.00 174.94 174.18 2b3w s ILE 17 N 4.03 4.77 -0.65 2.92 1.01 0.86 -4.94 121.20 129.21 2b3w s ILE 17 Ca 0.29 -1.63 -0.25 0.00 0.00 0.00 0.00 60.65 59.06 2b3w s ILE 17 Cb -0.13 -4.77 0.05 0.00 0.01 0.00 0.00 42.46 37.62 2b3w s ILE 17 CO 0.18 -1.48 1.09 0.54 0.00 0.00 0.00 174.94 175.26 2b3w s ASN 18 N 3.56 6.24 -0.14 3.58 2.20 -1.25 -1.20 114.94 127.92 2b3w s ASN 18 Ca 0.32 -0.54 -0.07 0.00 -0.94 0.00 0.00 52.86 51.63 2b3w s ASN 18 Cb -0.05 -2.48 -0.04 0.00 -2.00 0.00 0.00 41.25 36.67 2b3w s ASN 18 CO -0.09 -1.52 0.12 0.72 -2.94 0.00 0.00 177.10 173.39 2b3w s PHE 19 N 4.68 3.51 0.35 1.54 -0.12 -0.22 -4.80 117.98 122.91 2b3w s PHE 19 Ca 0.31 0.44 -0.04 0.00 -0.05 0.00 0.00 56.93 57.58 2b3w s PHE 19 Cb -0.12 -1.98 0.02 0.00 -0.63 0.00 0.00 43.02 40.30 2b3w s PHE 19 CO 0.16 0.59 0.53 0.98 -0.05 0.00 0.00 175.22 177.42 2b3w n TYR 20 N 2.41 -1.59 -2.30 3.49 9.36 -1.26 -2.62 117.16 124.66 2b3w n TYR 20 Ca -0.19 -2.19 -0.01 0.00 3.32 0.00 0.00 57.90 58.83 2b3w n TYR 20 Cb 0.54 0.60 -0.01 0.00 -0.63 0.00 0.00 39.34 39.84 2b3w n TYR 20 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2b3w n SER 21 N -1.61 -4.21 -0.08 2.98 7.64 -1.26 -4.82 113.62 112.26 2b3w n SER 21 Ca -0.01 0.96 0.11 0.00 1.01 0.00 0.00 58.87 60.93 2b3w n SER 21 Cb 0.57 -3.94 0.60 0.00 -1.01 0.00 0.00 64.21 60.42 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 0.73 0.02 -0.26 0.44 -1.04 -1.26 -4.19 114.28 108.71 2b3w n THR 22 Ca -0.11 -0.05 0.06 0.00 -2.04 0.00 0.00 64.05 61.92 2b3w n THR 22 Cb 0.16 -0.23 0.17 0.00 -1.82 0.00 0.00 70.33 68.62 2b3w n THR 22 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2b3w h SER 23 N 0.32 -0.34 -4.48 8.00 0.02 -1.91 -3.43 113.55 111.74 2b3w h SER 23 Ca 0.00 0.20 -0.35 0.00 -0.84 0.00 0.00 61.79 60.80 2b3w h SER 23 Cb 0.07 0.35 -0.05 0.00 0.14 0.00 0.00 62.40 62.91 2b3w h SER 23 CO 0.00 -0.18 -0.22 -0.90 -1.14 0.00 0.00 176.83 174.39 2b3w n ASP 24 N -5.34 2.41 0.23 3.07 5.75 -1.26 -5.01 116.55 116.40 2b3w n ASP 24 Ca 0.14 -2.17 0.09 0.00 -0.01 0.00 0.00 54.79 52.84 2b3w n ASP 24 Cb 0.49 0.09 0.58 0.00 -1.03 0.00 0.00 41.12 41.25 2b3w n ASP 24 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2b3w h ASP 25 N 0.54 0.00 0.78 -1.12 3.32 -1.84 -0.88 116.42 117.22 2b3w h ASP 25 Ca -0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.83 2b3w h ASP 25 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 2b3w h ASP 25 CO 0.36 0.20 0.00 0.22 -1.72 0.00 0.00 179.24 178.30 2b3w h TYR 26 N 0.00 0.00 -0.01 4.55 3.20 -1.93 -1.91 116.97 120.87 2b3w h TYR 26 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2b3w h TYR 26 Cb 0.47 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.74 2b3w h TYR 26 CO 0.00 0.00 -0.01 0.41 -1.64 0.00 0.00 178.16 176.92 2b3w n GLY 27 N 0.01 -0.31 0.31 1.82 0.00 -0.33 -4.06 105.19 102.63 2b3w n GLY 27 Ca 0.02 -0.37 0.15 0.00 0.00 0.00 0.00 46.02 45.82 2b3w n GLY 27 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2b3w h ASP 28 N 1.64 0.00 -0.18 1.61 3.58 -1.46 -1.44 116.42 120.17 2b3w h ASP 28 Ca 0.00 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.50 2b3w h ASP 28 Cb 0.36 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 2b3w h ASP 28 CO 0.00 0.00 0.19 -0.26 -2.88 0.00 0.00 179.24 176.29 2b3w h PHE 29 N 0.00 0.00 -3.89 0.28 0.04 -1.82 -3.42 116.94 108.13 2b3w h PHE 29 Ca 0.03 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 60.29 2b3w h PHE 29 Cb 0.17 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.37 2b3w h PHE 29 CO 0.00 0.00 0.54 -1.12 -0.60 0.00 0.00 178.31 177.13 2b3w s SER 30 N -5.85 6.78 0.43 2.17 0.01 -0.54 -4.92 113.70 111.78 2b3w s SER 30 Ca -0.05 2.43 0.10 0.00 1.31 0.00 0.00 55.95 59.75 2b3w s SER 30 Cb 0.15 -2.63 0.96 0.00 0.21 0.00 0.00 66.02 64.72 2b3w s SER 30 CO 0.56 -0.51 2.05 -1.13 0.41 0.00 0.00 173.24 174.62 2b3w h ASN 31 N 3.14 0.37 -0.18 2.44 -0.73 -1.89 -2.15 115.58 116.59 2b3w h ASN 31 Ca -0.48 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 57.67 2b3w h ASN 31 Cb 1.23 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.72 2b3w h ASN 31 CO 0.64 0.26 0.02 0.33 -0.37 0.00 0.00 177.43 178.31 2b3w n PHE 32 N -4.48 0.65 -2.27 0.67 7.35 -1.26 -3.91 117.46 114.22 2b3w n PHE 32 Ca 0.04 -0.28 -0.41 0.00 -0.76 0.00 0.00 57.45 56.05 2b3w n PHE 32 Cb 0.14 -0.25 -0.03 0.00 0.35 0.00 0.00 39.48 39.70 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 -1.48 3.47 -1.19 3.13 0.00 -0.81 -4.94 121.76 119.93 2b3w s ALA 33 Ca 0.16 1.09 -0.05 0.00 0.00 0.00 0.00 51.96 53.17 2b3w s ALA 33 Cb 0.13 -3.42 0.22 0.00 0.00 0.00 0.00 23.12 20.04 2b3w s ALA 33 CO 0.05 -0.45 1.92 0.00 0.00 0.00 0.00 175.76 177.28 2b3w n ALA 34 N 1.37 5.91 -3.69 0.00 0.00 -1.26 -4.21 120.51 118.64 2b3w n ALA 34 Ca 0.01 -4.43 -0.33 0.00 0.00 0.00 0.00 53.44 48.68 2b3w n ALA 34 Cb 0.43 -2.59 -0.15 0.00 0.00 0.00 0.00 19.45 17.13 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 -1.89 2.80 0.16 0.00 0.52 -1.21 -4.99 118.94 114.33 2b3w s TRP 35 Ca 0.42 -1.24 -0.32 0.00 0.02 0.00 0.00 56.10 54.97 2b3w s TRP 35 Cb 0.13 -1.92 -0.12 0.00 -1.15 0.00 0.00 33.47 30.41 2b3w s TRP 35 CO -0.03 -0.60 1.76 -2.30 0.02 0.00 0.00 176.95 175.80 2b3w n PRO 36 N 4.35 2.70 -4.91 4.98 -0.02 -1.24 -4.40 135.00 136.45 2b3w n PRO 36 Ca -0.20 0.98 -0.27 0.00 -2.02 0.00 0.00 63.50 61.99 2b3w n PRO 36 Cb 0.51 -2.84 -0.15 0.00 -0.02 0.00 0.00 33.50 31.00 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 1.90 1.68 -0.85 4.25 -4.36 0.28 -4.98 121.20 119.12 2b3w s ILE 37 Ca 0.79 -1.01 -0.11 0.00 -0.26 0.00 0.00 60.65 60.07 2b3w s ILE 37 Cb -0.52 -1.42 0.22 0.00 1.25 0.00 0.00 42.46 41.99 2b3w s ILE 37 CO 0.36 0.39 0.78 -0.75 0.24 0.00 0.00 174.94 175.95 2b3w s LYS 38 N -0.72 3.53 -0.16 0.37 2.47 -1.26 -0.47 119.74 123.50 2b3w s LYS 38 Ca 0.08 -2.66 -0.04 0.00 -1.56 0.00 0.00 55.97 51.79 2b3w s LYS 38 Cb -0.08 -4.32 -0.03 0.00 -1.46 0.00 0.00 37.83 31.94 2b3w s LYS 38 CO 0.00 -1.26 -0.03 0.08 0.16 0.00 0.00 175.35 174.30 2b3w s VAL 39 N -0.21 4.00 -1.48 4.02 1.01 0.53 -4.47 120.40 123.80 2b3w s VAL 39 Ca 0.21 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2b3w s VAL 39 Cb -0.11 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.51 2b3w s VAL 39 CO -0.08 0.49 0.00 -0.67 0.00 0.00 0.00 175.10 174.84 2b3w n ASP 40 N 3.51 -4.81 -0.08 3.32 2.03 -1.26 -0.72 116.55 118.54 2b3w n ASP 40 Ca -0.17 0.13 -0.01 0.00 0.52 0.00 0.00 54.79 55.26 2b3w n ASP 40 Cb 0.52 -3.85 -0.00 0.00 -0.72 0.00 0.00 41.12 37.07 2b3w n ASP 40 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2b3w n GLY 41 N -1.02 0.50 3.27 0.27 0.00 -1.26 -5.02 105.19 101.92 2b3w n GLY 41 Ca -0.18 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.09 1.16 -0.18 1.61 1.02 0.10 -5.12 119.74 117.24 2b3w s LYS 42 Ca 0.00 -1.09 -0.17 0.00 0.02 0.00 0.00 55.97 54.73 2b3w s LYS 42 Cb 0.00 -1.37 -0.04 0.00 -0.52 0.00 0.00 37.83 35.90 2b3w s LYS 42 CO 0.00 0.33 0.44 0.99 -0.92 0.00 0.00 175.35 176.19 2b3w s THR 43 N -1.08 5.18 -0.06 2.17 2.01 -1.26 -0.34 115.64 122.26 2b3w s THR 43 Ca 0.06 0.82 0.04 0.00 0.31 0.00 0.00 61.69 62.92 2b3w s THR 43 Cb -0.10 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 68.64 2b3w s THR 43 CO 0.03 0.26 -0.17 0.26 -0.69 0.00 0.00 174.62 174.31 2b3w s TRP 44 N 1.17 1.79 0.30 4.92 0.52 0.39 -4.98 118.94 123.05 2b3w s TRP 44 Ca 0.22 -0.58 0.11 0.00 0.02 0.00 0.00 56.10 55.87 2b3w s TRP 44 Cb -0.15 -1.22 0.45 0.00 -1.15 0.00 0.00 33.47 31.40 2b3w s TRP 44 CO 0.09 -0.22 1.67 -1.35 0.02 0.00 0.00 176.95 177.15 2b3w h PRO 45 N 6.45 0.00 -4.11 4.98 0.11 -1.87 0.81 132.00 138.37 2b3w h PRO 45 Ca -0.30 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.66 2b3w h PRO 45 Cb 1.18 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.17 2b3w h PRO 45 CO 0.48 0.55 -0.37 0.95 -0.21 0.00 0.00 178.00 179.40 2b3w s THR 46 N -3.76 0.01 0.06 -1.15 -4.23 -1.26 -3.29 115.64 102.02 2b3w s THR 46 Ca -0.02 -1.69 -0.18 0.00 -1.18 0.00 0.00 61.69 58.62 2b3w s THR 46 Cb 0.13 -2.32 -0.12 0.00 1.34 0.00 0.00 72.50 71.54 2b3w s THR 46 CO 0.75 -0.03 1.39 0.28 -0.54 0.00 0.00 174.62 176.47 2b3w h SER 47 N 2.45 0.51 0.56 3.99 0.02 -1.73 -3.10 113.55 116.24 2b3w h SER 47 Ca -0.31 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.18 2b3w h SER 47 Cb 1.25 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2b3w h SER 47 CO 0.45 0.86 0.00 1.05 -1.14 0.00 0.00 176.83 178.05 2b3w h GLU 48 N 0.16 0.00 0.18 3.45 9.09 -1.94 -2.21 114.58 123.32 2b3w h GLU 48 Ca 0.04 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.44 2b3w h GLU 48 Cb 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.81 2b3w h GLU 48 CO 0.04 0.00 -0.09 0.45 0.05 0.00 0.00 179.01 179.47 2b3w h HIS 49 N 0.00 -0.23 -0.44 2.06 3.86 -1.90 0.72 115.15 119.22 2b3w h HIS 49 Ca 0.00 -0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.12 2b3w h HIS 49 Cb 0.28 0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 2b3w h HIS 49 CO 0.00 -0.00 -0.07 -0.92 0.86 0.00 0.00 177.93 177.80 2b3w h TYR 50 N -0.42 0.83 -0.21 2.45 3.20 -1.55 0.93 116.97 122.19 2b3w h TYR 50 Ca -0.03 -0.14 0.04 0.00 3.14 0.00 0.00 58.73 61.75 2b3w h TYR 50 Cb 0.33 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 2b3w h TYR 50 CO -0.01 0.81 -0.06 0.35 -1.64 0.00 0.00 178.16 177.61 2b3w h PHE 51 N 0.71 -0.13 -0.27 -3.82 3.57 -1.33 -1.46 116.94 114.20 2b3w h PHE 51 Ca 0.13 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.50 2b3w h PHE 51 Cb 0.53 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 2b3w h PHE 51 CO 0.03 -0.10 -0.42 1.96 -2.23 0.00 0.00 178.31 177.54 2b3w h GLN 52 N -0.01 0.67 0.39 1.11 7.50 -0.55 -2.28 115.11 121.94 2b3w h GLN 52 Ca 0.11 -0.35 -0.02 0.00 0.50 0.00 0.00 58.65 58.88 2b3w h GLN 52 Cb 0.17 0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.72 2b3w h GLN 52 CO -0.23 0.96 -0.19 0.00 -1.50 0.00 0.00 178.83 177.88 2b3w h ALA 53 N 0.99 -0.53 0.00 3.87 0.00 -0.39 -1.02 119.26 122.19 2b3w h ALA 53 Ca 0.04 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2b3w h ALA 53 Cb 0.96 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2b3w h ALA 53 CO 0.09 -0.73 -0.47 1.96 0.00 0.00 0.00 179.25 180.10 2b3w h GLN 54 N -0.67 0.00 -0.57 0.00 7.50 -1.38 -2.73 115.11 117.26 2b3w h GLN 54 Ca -0.05 0.00 0.06 0.00 0.50 0.00 0.00 58.65 59.16 2b3w h GLN 54 Cb 0.48 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.96 2b3w h GLN 54 CO 0.09 0.47 0.27 -0.22 -1.50 0.00 0.00 178.83 177.94 2b3w h LYS 55 N 0.00 0.49 -6.27 1.46 3.64 -1.21 -3.39 116.57 111.28 2b3w h LYS 55 Ca -0.00 -0.03 -0.56 0.00 -1.27 0.00 0.00 60.65 58.79 2b3w h LYS 55 Cb 1.04 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.72 2b3w h LYS 55 CO 0.06 0.32 0.72 -0.06 -2.27 0.00 0.00 179.45 178.23 2b3w s PHE 56 N -6.11 3.18 -0.67 1.91 0.08 -0.40 -4.12 117.98 111.85 2b3w s PHE 56 Ca -0.13 1.23 0.25 0.00 0.12 0.00 0.00 56.93 58.41 2b3w s PHE 56 Cb 0.15 -3.40 0.68 0.00 -0.57 0.00 0.00 43.02 39.88 2b3w s PHE 56 CO 0.74 -1.22 1.69 1.37 -0.10 0.00 0.00 175.22 177.70 2b3w h LEU 57 N 8.46 0.00 -9.31 -0.37 -0.00 -1.78 -3.45 115.31 108.86 2b3w h LEU 57 Ca -0.32 -0.02 -0.55 0.00 -0.00 0.00 0.00 57.88 56.99 2b3w h LEU 57 Cb 1.15 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.78 2b3w h LEU 57 CO 0.90 0.01 0.59 -0.62 -0.00 0.00 0.00 178.44 179.32 2b3w s ASP 58 N -4.76 7.18 0.21 0.17 -1.08 -1.26 -4.94 116.67 112.19 2b3w s ASP 58 Ca 0.09 1.68 -0.06 0.00 -0.52 0.00 0.00 52.55 53.75 2b3w s ASP 58 Cb 0.11 -2.56 0.16 0.00 -1.46 0.00 0.00 42.92 39.18 2b3w s ASP 58 CO 0.62 -0.47 1.64 -0.08 0.52 0.00 0.00 175.17 177.40 2b3w h GLU 59 N 7.16 0.86 0.00 4.34 4.57 -1.96 -0.75 114.58 128.80 2b3w h GLU 59 Ca -0.34 -0.32 -0.13 0.00 -1.18 0.00 0.00 59.36 57.39 2b3w h GLU 59 Cb 1.17 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.68 2b3w h GLU 59 CO 0.85 0.95 -0.82 0.87 -1.18 0.00 0.00 179.01 179.68 2b3w h LYS 60 N 0.76 0.00 0.00 1.92 1.57 -1.98 -0.67 116.57 118.18 2b3w h LYS 60 Ca 0.12 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 2b3w h LYS 60 Cb 0.68 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 2b3w h LYS 60 CO 0.05 0.45 -0.40 -0.92 -0.57 0.00 0.00 179.45 178.06 2b3w h TYR 61 N 0.00 0.00 -0.25 -1.35 5.03 -1.95 0.34 116.97 118.80 2b3w h TYR 61 Ca -0.06 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.13 2b3w h TYR 61 Cb 1.46 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.73 2b3w h TYR 61 CO 0.00 0.33 -0.37 -0.09 -1.32 0.00 0.00 178.16 176.71 2b3w h ARG 62 N 0.00 0.55 -0.44 1.82 2.43 -1.03 -2.22 114.38 115.49 2b3w h ARG 62 Ca -0.01 -0.26 -0.07 0.00 -0.81 0.00 0.00 59.98 58.83 2b3w h ARG 62 Cb 1.26 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 2b3w h ARG 62 CO 0.04 0.83 0.00 1.49 -1.51 0.00 0.00 179.97 180.83 2b3w h GLU 63 N 0.46 0.71 -0.73 0.20 4.81 -0.73 -2.05 114.58 117.24 2b3w h GLU 63 Ca 0.05 -0.18 0.03 0.00 -0.13 0.00 0.00 59.36 59.12 2b3w h GLU 63 Cb 0.85 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.10 2b3w h GLU 63 CO 0.07 0.73 0.47 1.49 -0.73 0.00 0.00 179.01 181.04 2b3w h GLU 64 N 0.67 0.90 -0.70 1.92 4.57 -0.68 -0.25 114.58 121.00 2b3w h GLU 64 Ca 0.14 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 2b3w h GLU 64 Cb 0.41 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 2b3w h GLU 64 CO 0.02 0.59 0.45 0.82 -1.18 0.00 0.00 179.01 179.70 2b3w h ILE 65 N 0.92 1.19 -0.05 2.32 1.08 -0.77 -0.23 117.51 121.97 2b3w h ILE 65 Ca 0.29 -0.38 -0.14 0.00 -0.39 0.00 0.00 64.86 64.24 2b3w h ILE 65 Cb -0.01 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 33.90 2b3w h ILE 65 CO -0.10 0.19 -0.61 -0.09 -0.69 0.00 0.00 178.15 176.85 2b3w h ARG 66 N 0.96 0.18 0.00 2.37 2.43 -0.95 -3.19 114.38 116.19 2b3w h ARG 66 Ca 0.26 -0.13 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 2b3w h ARG 66 Cb -0.08 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2b3w h ARG 66 CO -0.05 0.74 -0.34 -0.09 -1.51 0.00 0.00 179.97 178.71 2b3w h ARG 67 N 0.13 0.00 -5.71 0.20 2.43 0.65 -3.41 114.38 108.68 2b3w h ARG 67 Ca -0.01 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.57 2b3w h ARG 67 Cb 1.11 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.57 2b3w h ARG 67 CO 0.09 0.34 0.25 0.14 -1.51 0.00 0.00 179.97 179.29 2b3w s VAL 68 N -3.76 4.95 -0.79 0.20 -7.23 -0.53 -4.89 120.40 108.34 2b3w s VAL 68 Ca -0.01 1.34 0.26 0.00 -1.81 0.00 0.00 61.98 61.76 2b3w s VAL 68 Cb 0.12 -4.01 0.18 0.00 0.56 0.00 0.00 36.38 33.23 2b3w s VAL 68 CO 0.68 0.04 1.64 -1.54 -0.31 0.00 0.00 175.10 175.61 2b3w n SER 69 N 5.44 0.60 -4.62 4.85 3.41 -1.26 -4.81 113.62 117.22 2b3w n SER 69 Ca 0.01 0.35 -0.42 0.00 -0.26 0.00 0.00 58.87 58.56 2b3w n SER 69 Cb 0.49 -0.37 -0.05 0.00 -0.26 0.00 0.00 64.21 64.02 2b3w n SER 69 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2b3w s SER 70 N -4.00 6.71 0.02 4.04 0.01 -1.26 -4.94 113.70 114.28 2b3w s SER 70 Ca 0.10 0.74 -0.21 0.00 1.31 0.00 0.00 55.95 57.89 2b3w s SER 70 Cb 0.14 -2.42 -0.16 0.00 0.21 0.00 0.00 66.02 63.79 2b3w s SER 70 CO 0.63 -0.62 1.30 -0.65 0.41 0.00 0.00 173.24 174.30 2b3w h PRO 71 N 8.06 0.31 -0.26 12.44 0.11 -1.99 -2.95 132.00 147.71 2b3w h PRO 71 Ca -0.24 -0.18 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 2b3w h PRO 71 Cb 1.09 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2b3w h PRO 71 CO 0.89 0.75 0.04 1.98 -0.21 0.00 0.00 178.00 181.45 2b3w h MET 72 N -0.11 0.38 -0.28 1.05 4.05 -1.99 0.41 114.93 118.44 2b3w h MET 72 Ca 0.01 -0.06 -0.10 0.00 -0.28 0.00 0.00 59.70 59.27 2b3w h MET 72 Cb 0.72 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.45 2b3w h MET 72 CO 0.04 0.38 -0.22 0.28 0.23 0.00 0.00 176.91 177.62 2b3w h VAL 73 N 0.37 1.30 -0.62 -5.77 2.07 -1.98 -1.51 116.25 110.12 2b3w h VAL 73 Ca 0.09 -1.37 -0.07 0.00 0.82 0.00 0.00 66.70 66.17 2b3w h VAL 73 Cb 0.19 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 2b3w h VAL 73 CO 0.00 0.43 0.11 0.00 0.02 0.00 0.00 177.57 178.14 2b3w h ALA 74 N 0.71 1.02 -0.30 1.67 0.00 -1.17 -1.43 119.26 119.76 2b3w h ALA 74 Ca 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2b3w h ALA 74 Cb 0.77 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2b3w h ALA 74 CO 0.06 0.63 0.10 0.00 0.00 0.00 0.00 179.25 180.03 2b3w h ALA 75 N 1.17 0.40 -0.15 0.00 0.00 -0.89 0.60 119.26 120.39 2b3w h ALA 75 Ca 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2b3w h ALA 75 Cb 0.39 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2b3w h ALA 75 CO 0.01 0.03 0.07 0.00 0.00 0.00 0.00 179.25 179.36 2b3w h ARG 76 N 0.33 0.22 0.00 0.00 3.08 -1.00 -1.64 114.38 115.37 2b3w h ARG 76 Ca 0.10 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2b3w h ARG 76 Cb 0.24 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2b3w h ARG 76 CO -0.00 0.28 0.00 0.00 -1.07 0.00 0.00 179.97 179.17 2b3w n MET 77 N -4.90 0.05 0.10 0.04 0.00 -0.56 -1.37 117.12 110.49 2b3w n MET 77 Ca -0.05 0.16 -0.03 0.00 0.00 0.00 0.00 57.70 57.78 2b3w n MET 77 Cb 0.10 -1.58 0.16 0.00 0.00 0.00 0.00 33.22 31.90 2b3w n MET 77 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 2b3w h GLY 78 N 3.79 0.20 -2.38 3.17 0.00 0.03 -2.93 103.07 104.94 2b3w h GLY 78 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2b3w h GLY 78 CO 0.00 0.21 0.00 0.54 0.00 0.00 0.00 176.54 177.29 2b3w n ARG 79 N -3.89 2.65 0.28 4.80 1.74 -0.47 -4.44 116.66 117.33 2b3w n ARG 79 Ca -0.02 -2.28 0.18 0.00 -0.77 0.00 0.00 57.85 54.96 2b3w n ARG 79 Cb 0.58 -1.56 0.82 0.00 -1.02 0.00 0.00 32.46 31.29 2b3w n ARG 79 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 2b3w h ASP 80 N 3.60 0.00 0.00 0.55 3.58 -1.16 -3.46 116.42 119.53 2b3w h ASP 80 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2b3w h ASP 80 Cb 0.94 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.99 2b3w h ASP 80 CO 0.05 0.00 0.00 0.54 -2.88 0.00 0.00 179.24 176.95 2b3w n ARG 81 N -3.01 0.00 -0.33 0.28 5.12 -1.26 -4.66 116.66 112.80 2b3w n ARG 81 Ca -0.00 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.87 2b3w n ARG 81 Cb 0.23 -0.12 0.02 0.00 -1.16 0.00 0.00 32.46 31.43 2b3w n ARG 81 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2b3w n SER 82 N 1.52 3.93 -4.40 0.55 7.64 -1.26 -4.82 113.62 116.78 2b3w n SER 82 Ca 0.00 -2.36 -0.22 0.00 1.01 0.00 0.00 58.87 57.30 2b3w n SER 82 Cb 0.00 -0.73 -0.10 0.00 -1.01 0.00 0.00 64.21 62.37 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 -0.53 1.47 -0.43 1.43 -0.14 -1.26 -5.07 119.74 115.21 2b3w s LYS 83 Ca 0.09 -1.62 -0.27 0.00 -1.36 0.00 0.00 55.97 52.81 2b3w s LYS 83 Cb 0.08 -1.46 -0.07 0.00 -1.68 0.00 0.00 37.83 34.70 2b3w s LYS 83 CO 0.01 0.27 2.37 -2.30 -0.76 0.00 0.00 175.35 174.94 2b3w n PRO 84 N -0.31 1.27 -4.08 -1.68 -0.02 -1.26 -4.96 135.00 123.96 2b3w n PRO 84 Ca -0.08 0.15 -0.27 0.00 -2.02 0.00 0.00 63.50 61.28 2b3w n PRO 84 Cb 0.59 -3.32 -0.05 0.00 -0.02 0.00 0.00 33.50 30.70 2b3w n PRO 84 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2b3w s LEU 85 N 10.99 3.81 -0.14 2.45 1.43 -1.26 -4.03 118.68 131.94 2b3w s LEU 85 Ca 1.00 -0.11 -0.09 0.00 -1.03 0.00 0.00 54.13 53.90 2b3w s LEU 85 Cb -0.26 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 2b3w s LEU 85 CO 0.30 0.08 0.18 -0.13 0.23 0.00 0.00 176.35 177.00 2b3w s ARG 86 N -3.04 3.77 0.40 1.70 0.52 -1.26 -4.89 118.95 116.15 2b3w s ARG 86 Ca 0.31 -0.08 0.07 0.00 -0.52 0.00 0.00 55.73 55.51 2b3w s ARG 86 Cb -0.10 -3.28 0.84 0.00 0.52 0.00 0.00 34.95 32.93 2b3w s ARG 86 CO 0.23 0.59 2.03 0.87 0.02 0.00 0.00 175.30 179.04 2b3w h LYS 87 N 5.59 0.48 -0.61 3.54 1.57 -1.99 -2.18 116.57 122.97 2b3w h LYS 87 Ca -0.49 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 2b3w h LYS 87 Cb 1.20 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2b3w h LYS 87 CO 0.65 0.37 0.00 0.09 -0.57 0.00 0.00 179.45 179.99 2b3w n ASN 88 N -4.43 3.42 0.04 0.86 4.13 -1.26 -4.42 115.26 113.60 2b3w n ASN 88 Ca 0.02 -2.11 0.01 0.00 1.68 0.00 0.00 54.58 54.18 2b3w n ASN 88 Cb 0.11 -0.43 0.34 0.00 -1.54 0.00 0.00 39.78 38.25 2b3w n ASN 88 CO 0.00 0.00 0.00 -0.25 0.28 0.00 0.00 177.26 177.29 2b3w h TRP 89 N 3.44 0.44 0.00 3.10 2.91 -1.79 -1.13 115.95 122.91 2b3w h TRP 89 Ca 0.00 -0.04 -0.02 0.00 1.13 0.00 0.00 58.89 59.96 2b3w h TRP 89 Cb 0.93 -0.13 -0.00 0.00 -0.51 0.00 0.00 29.16 29.45 2b3w h TRP 89 CO 0.47 0.47 -0.10 1.49 -1.03 0.00 0.00 178.44 179.73 2b3w h GLU 90 N 0.41 0.00 0.04 2.65 4.57 -1.80 0.96 114.58 121.40 2b3w h GLU 90 Ca 0.09 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.95 2b3w h GLU 90 Cb 0.33 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 2b3w h GLU 90 CO 0.01 0.10 -1.74 0.43 -1.18 0.00 0.00 179.01 176.64 2b3w n SER 91 N -3.48 1.97 -0.41 1.04 7.64 -0.55 -4.30 113.62 115.54 2b3w n SER 91 Ca -0.01 0.31 0.12 0.00 1.01 0.00 0.00 58.87 60.29 2b3w n SER 91 Cb 0.25 -0.88 0.50 0.00 -1.01 0.00 0.00 64.21 63.07 2b3w n SER 91 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2b3w n VAL 92 N -4.02 0.09 0.09 0.44 0.24 -0.54 -4.12 118.33 110.51 2b3w n VAL 92 Ca -0.36 -0.24 -0.12 0.00 -2.04 0.00 0.00 64.34 61.58 2b3w n VAL 92 Cb 0.85 0.26 -0.05 0.00 -1.47 0.00 0.00 33.84 33.42 2b3w n VAL 92 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2b3w h LYS 93 N 1.80 -0.38 -0.43 7.34 3.64 -0.99 0.20 116.57 127.76 2b3w h LYS 93 Ca 0.00 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 2b3w h LYS 93 Cb 0.39 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2b3w h LYS 93 CO 0.00 -0.25 0.14 1.05 -2.27 0.00 0.00 179.45 178.12 2b3w h GLU 94 N -0.39 0.62 0.11 1.90 4.11 -1.84 -0.48 114.58 118.60 2b3w h GLU 94 Ca 0.04 -0.09 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 2b3w h GLU 94 Cb 0.43 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2b3w h GLU 94 CO -0.15 0.54 -0.05 0.37 0.07 0.00 0.00 179.01 179.79 2b3w h GLN 95 N 0.61 -0.14 -0.69 1.06 4.15 -1.59 0.15 115.11 118.65 2b3w h GLN 95 Ca 0.15 0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.51 2b3w h GLN 95 Cb 0.17 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 2b3w h GLN 95 CO -0.01 0.19 0.19 0.28 -1.93 0.00 0.00 178.83 177.55 2b3w h VAL 96 N -0.48 1.26 -0.15 2.39 2.07 -0.89 -1.74 116.25 118.71 2b3w h VAL 96 Ca -0.01 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.59 2b3w h VAL 96 Cb 0.39 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2b3w h VAL 96 CO 0.02 0.36 0.07 -0.03 0.02 0.00 0.00 177.57 178.01 2b3w h MET 97 N 1.03 0.15 -0.50 1.57 1.85 -0.98 -1.56 114.93 116.50 2b3w h MET 97 Ca 0.22 -0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.27 2b3w h MET 97 Cb 0.34 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.31 2b3w h MET 97 CO -0.00 0.10 0.18 -0.09 -0.40 0.00 0.00 176.91 176.70 2b3w h ARG 98 N 0.15 0.72 -0.33 0.39 2.43 -0.51 0.11 114.38 117.33 2b3w h ARG 98 Ca 0.06 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2b3w h ARG 98 Cb 0.01 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2b3w h ARG 98 CO -0.04 0.61 0.10 -0.22 -1.51 0.00 0.00 179.97 178.91 2b3w h LYS 99 N 0.71 0.52 -0.51 0.20 3.64 -0.92 0.12 116.57 120.34 2b3w h LYS 99 Ca 0.17 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 2b3w h LYS 99 Cb 0.17 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2b3w h LYS 99 CO -0.01 0.55 0.13 0.00 -2.27 0.00 0.00 179.45 177.85 2b3w h ALA 100 N 0.94 0.67 -0.54 5.00 0.00 -0.83 -2.66 119.26 121.84 2b3w h ALA 100 Ca 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2b3w h ALA 100 Cb 0.25 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2b3w h ALA 100 CO -0.00 0.36 0.24 -0.07 0.00 0.00 0.00 179.25 179.77 2b3w h LEU 101 N 0.70 0.70 -0.07 0.00 3.38 -0.57 -0.95 115.31 118.49 2b3w h LEU 101 Ca 0.16 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2b3w h LEU 101 Cb 0.33 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2b3w h LEU 101 CO 0.00 0.61 0.03 -0.09 0.09 0.00 0.00 178.44 179.09 2b3w h ARG 102 N 0.77 0.10 0.00 1.13 2.43 -0.47 -1.74 114.38 116.60 2b3w h ARG 102 Ca 0.19 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 2b3w h ARG 102 Cb 0.12 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2b3w h ARG 102 CO -0.02 0.20 -0.33 0.00 -1.51 0.00 0.00 179.97 178.31 2b3w h ALA 103 N 0.90 1.43 0.93 2.80 0.00 -1.22 0.22 119.26 124.32 2b3w h ALA 103 Ca 0.02 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 2b3w h ALA 103 Cb 0.13 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2b3w h ALA 103 CO -0.00 0.42 -0.45 -0.22 0.00 0.00 0.00 179.25 178.99 2b3w h LYS 104 N 0.00 -1.21 0.25 0.00 3.64 -0.77 -2.42 116.57 116.06 2b3w h LYS 104 Ca -0.00 0.08 -0.32 0.00 -1.27 0.00 0.00 60.65 59.14 2b3w h LYS 104 Cb 0.60 0.27 0.04 0.00 -0.41 0.00 0.00 32.23 32.73 2b3w h LYS 104 CO 0.04 -0.80 -1.41 0.74 -2.27 0.00 0.00 179.45 175.75 2b3w h PHE 105 N -1.25 0.94 -0.31 1.91 0.04 -1.20 -3.32 116.94 113.76 2b3w h PHE 105 Ca -0.13 -0.69 -0.15 0.00 2.80 0.00 0.00 57.97 59.81 2b3w h PHE 105 Cb 0.96 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 39.07 2b3w h PHE 105 CO -0.01 1.54 -0.40 1.49 -0.60 0.00 0.00 178.31 180.33 2b3w h GLU 106 N 0.09 0.76 -0.40 1.51 4.22 -0.67 -2.73 114.58 117.35 2b3w h GLU 106 Ca -0.25 -0.40 -0.07 0.00 0.08 0.00 0.00 59.36 58.73 2b3w h GLU 106 Cb 2.12 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.36 2b3w h GLU 106 CO 0.26 1.02 -0.04 0.37 -2.18 0.00 0.00 179.01 178.45 2b3w h GLN 107 N 0.62 0.65 -4.40 1.92 5.75 -1.58 -3.36 115.11 114.71 2b3w h GLN 107 Ca 0.05 -0.17 -0.71 0.00 -0.15 0.00 0.00 58.65 57.67 2b3w h GLN 107 Cb 0.96 -0.08 -0.31 0.00 1.07 0.00 0.00 27.48 29.12 2b3w h GLN 107 CO 0.09 0.70 -0.46 -1.01 -2.65 0.00 0.00 178.83 175.49 2b3w s HIS 108 N -4.91 3.45 0.43 3.99 3.76 -1.13 -4.96 115.29 115.91 2b3w s HIS 108 Ca -0.08 -1.95 0.17 0.00 -0.15 0.00 0.00 55.06 53.05 2b3w s HIS 108 Cb 0.15 -3.25 1.08 0.00 1.11 0.00 0.00 32.58 31.66 2b3w s HIS 108 CO 0.79 -0.95 1.89 0.00 -0.85 0.00 0.00 174.74 175.62 2b3w h ALA 109 N 8.31 2.17 -0.57 -1.40 0.00 -1.72 0.83 119.26 126.88 2b3w h ALA 109 Ca -0.19 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.76 2b3w h ALA 109 Cb 1.07 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 2b3w h ALA 109 CO 0.78 -0.41 0.32 0.93 0.00 0.00 0.00 179.25 180.87 2b3w h GLU 110 N 0.40 0.60 -0.12 0.00 4.39 -1.93 -0.01 114.58 117.91 2b3w h GLU 110 Ca 0.41 -0.04 -0.22 0.00 0.34 0.00 0.00 59.36 59.86 2b3w h GLU 110 Cb 1.01 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 29.53 2b3w h GLU 110 CO -0.14 0.40 -0.80 -0.07 -1.16 0.00 0.00 179.01 177.24 2b3w h LEU 111 N 0.62 0.85 -0.18 1.33 3.38 -1.12 -1.78 115.31 118.42 2b3w h LEU 111 Ca 0.24 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 2b3w h LEU 111 Cb 0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2b3w h LEU 111 CO -0.14 1.36 0.09 -0.09 0.09 0.00 0.00 178.44 179.75 2b3w h ARG 112 N 0.47 0.25 -0.39 1.13 2.43 -0.98 0.36 114.38 117.66 2b3w h ARG 112 Ca -0.06 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 2b3w h ARG 112 Cb 1.42 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.90 2b3w h ARG 112 CO 0.16 0.28 0.10 0.00 -1.51 0.00 0.00 179.97 178.99 2b3w h ALA 113 N 0.96 1.44 -0.67 2.80 0.00 -1.02 -1.27 119.26 121.51 2b3w h ALA 113 Ca 0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2b3w h ALA 113 Cb 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2b3w h ALA 113 CO -0.01 0.41 0.26 1.25 0.00 0.00 0.00 179.25 181.16 2b3w h LEU 114 N 0.56 0.93 -0.06 0.00 5.85 -0.73 -1.39 115.31 120.48 2b3w h LEU 114 Ca 0.13 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2b3w h LEU 114 Cb 0.21 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 2b3w h LEU 114 CO -0.00 0.85 0.02 0.25 -0.34 0.00 0.00 178.44 179.22 2b3w h LEU 115 N 0.95 0.08 -1.79 2.25 5.85 -0.17 -2.77 115.31 119.71 2b3w h LEU 115 Ca 0.22 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2b3w h LEU 115 Cb 0.22 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.22 2b3w h LEU 115 CO -0.02 0.24 0.00 -0.07 -0.34 0.00 0.00 178.44 178.25 2b3w h LEU 116 N -0.07 0.00 -0.98 2.25 4.07 -1.12 -2.43 115.31 117.02 2b3w h LEU 116 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2b3w h LEU 116 Cb 0.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.92 2b3w h LEU 116 CO -0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.36 2b3w n ALA 117 N -2.04 2.52 -0.05 1.53 0.00 -0.53 -3.31 120.51 118.63 2b3w n ALA 117 Ca -0.00 -0.44 -0.00 0.00 0.00 0.00 0.00 53.44 53.00 2b3w n ALA 117 Cb 0.22 -0.99 -0.15 0.00 0.00 0.00 0.00 19.45 18.53 2b3w n ALA 117 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2b3w n THR 118 N 0.19 0.70 -1.62 0.00 -2.24 -0.92 -3.05 114.28 107.34 2b3w n THR 118 Ca 0.08 -0.65 -0.45 0.00 -2.27 0.00 0.00 64.05 60.76 2b3w n THR 118 Cb 0.24 -0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.20 2b3w n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b3w n ALA 119 N -2.47 0.12 -1.18 6.98 0.00 -1.21 -0.17 120.51 122.58 2b3w n ALA 119 Ca -0.18 0.40 -0.25 0.00 0.00 0.00 0.00 53.44 53.42 2b3w n ALA 119 Cb 0.84 -2.10 0.16 0.00 0.00 0.00 0.00 19.45 18.36 2b3w n ALA 119 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2b3w n PRO 120 N 1.13 2.27 -1.56 0.00 -0.04 -1.26 -4.91 135.00 130.63 2b3w n PRO 120 Ca 0.10 -2.96 -0.34 0.00 -0.04 0.00 0.00 63.50 60.27 2b3w n PRO 120 Cb 0.31 -2.16 0.08 0.00 -0.04 0.00 0.00 33.50 31.69 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 -3.27 2.25 0.11 0.55 0.00 0.77 -4.63 121.76 117.54 2b3w s ALA 121 Ca 0.56 0.75 -0.30 0.00 0.00 0.00 0.00 51.96 52.98 2b3w s ALA 121 Cb 0.47 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 20.12 2b3w s ALA 121 CO 0.09 -1.65 0.96 0.15 0.00 0.00 0.00 175.76 175.32 2b3w s LYS 122 N -3.97 4.70 -0.34 0.00 1.02 0.14 -4.88 119.74 116.40 2b3w s LYS 122 Ca 0.71 1.45 -0.11 0.00 0.02 0.00 0.00 55.97 58.04 2b3w s LYS 122 Cb -0.26 -3.38 0.00 0.00 -0.52 0.00 0.00 37.83 33.68 2b3w s LYS 122 CO 0.44 0.21 0.20 -0.51 -0.92 0.00 0.00 175.35 174.77 2b3w s LEU 123 N 0.01 4.45 -0.14 3.17 1.43 -1.26 -0.10 118.68 126.25 2b3w s LEU 123 Ca 0.47 -0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 52.91 2b3w s LEU 123 Cb -0.23 -2.05 0.04 0.00 0.03 0.00 0.00 46.19 43.97 2b3w s LEU 123 CO 0.30 -0.28 -0.02 -0.69 0.23 0.00 0.00 176.35 175.89 2b3w s VAL 124 N 1.63 0.78 -0.42 -1.59 1.01 -0.34 -4.10 120.40 117.37 2b3w s VAL 124 Ca 0.04 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 2b3w s VAL 124 Cb -0.18 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.23 2b3w s VAL 124 CO 0.08 0.14 1.18 -0.70 0.00 0.00 0.00 175.10 175.79 2b3w s GLU 125 N 1.78 3.80 -1.21 2.72 2.12 -1.26 -1.05 118.70 125.60 2b3w s GLU 125 Ca 0.02 0.80 -0.12 0.00 0.36 0.00 0.00 54.97 56.04 2b3w s GLU 125 Cb -0.14 -3.88 0.19 0.00 0.26 0.00 0.00 34.13 30.56 2b3w s GLU 125 CO -0.07 -1.28 1.49 1.58 -0.54 0.00 0.00 175.26 176.45 2b3w n HIS 126 N 7.75 4.42 -2.70 5.30 -0.00 -1.08 -3.10 115.22 125.81 2b3w n HIS 126 Ca 0.13 -3.27 -0.42 0.00 -0.00 0.00 0.00 57.72 54.16 2b3w n HIS 126 Cb 0.48 -2.02 -0.03 0.00 -0.00 0.00 0.00 29.99 28.42 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 0.66 4.18 -1.50 3.57 -1.32 -1.26 -4.80 115.64 115.17 2b3w s THR 127 Ca 0.40 -0.84 -0.10 0.00 -1.21 0.00 0.00 61.69 59.95 2b3w s THR 127 Cb -0.01 -4.92 -0.10 0.00 -1.51 0.00 0.00 72.50 65.96 2b3w s THR 127 CO -0.00 -1.76 3.02 1.21 -2.21 0.00 0.00 174.62 174.88 2b3w n GLU 128 N 8.13 3.57 0.03 7.08 2.13 -1.26 -3.33 120.64 136.98 2b3w n GLU 128 Ca 0.23 -2.10 0.00 0.00 0.66 0.00 0.00 57.16 55.95 2b3w n GLU 128 Cb 0.50 -2.74 0.00 0.00 0.27 0.00 0.00 31.44 29.47 2b3w n GLU 128 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2b3w n ASN 129 N 3.50 -0.18 -3.68 4.31 2.85 -1.26 -5.00 115.26 115.79 2b3w n ASN 129 Ca 0.76 0.09 -0.09 0.00 -0.11 0.00 0.00 54.58 55.23 2b3w n ASN 129 Cb 0.28 0.29 -0.10 0.00 1.24 0.00 0.00 39.78 41.50 2b3w n ASN 129 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2b3w s ASP 130 N -4.33 -0.60 -0.56 1.20 2.15 -1.21 -5.10 116.67 108.22 2b3w s ASP 130 Ca 0.00 1.06 -0.28 0.00 0.43 0.00 0.00 52.55 53.76 2b3w s ASP 130 Cb 0.00 0.99 0.02 0.00 -0.30 0.00 0.00 42.92 43.63 2b3w s ASP 130 CO 0.00 -0.21 1.38 0.00 -0.17 0.00 0.00 175.17 176.18 2b3w s ALA 131 N 1.59 2.85 0.00 3.66 0.00 -1.26 -4.59 121.76 124.01 2b3w s ALA 131 Ca -0.09 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.20 2b3w s ALA 131 Cb -0.08 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 18.95 2b3w s ALA 131 CO -0.15 -2.87 0.00 0.98 0.00 0.00 0.00 175.76 173.73 2b3w n TYR 132 N 9.38 -0.85 -2.10 0.00 9.36 -1.04 -4.89 117.16 127.02 2b3w n TYR 132 Ca 0.12 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.28 2b3w n TYR 132 Cb 0.49 0.31 0.09 0.00 -0.63 0.00 0.00 39.34 39.59 2b3w n TYR 132 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 2b3w n TRP 133 N -2.11 1.17 0.00 2.98 5.03 -1.11 -4.56 117.44 118.84 2b3w n TRP 133 Ca 0.00 -1.70 0.00 0.00 3.03 0.00 0.00 57.50 58.83 2b3w n TRP 133 Cb 0.00 -0.26 0.00 0.00 -1.03 0.00 0.00 31.31 30.02 2b3w n TRP 133 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2b3w n GLY 134 N -0.63 0.89 0.00 6.99 0.00 -0.47 -4.40 105.19 107.58 2b3w n GLY 134 Ca 0.24 0.39 0.07 0.00 0.00 0.00 0.00 46.02 46.72 2b3w n GLY 134 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2b3w n ASP 135 N 0.00 1.45 -1.11 1.61 5.75 -1.18 -1.54 116.55 121.54 2b3w n ASP 135 Ca 0.00 -0.24 -0.14 0.00 -0.01 0.00 0.00 54.79 54.40 2b3w n ASP 135 Cb 0.00 1.46 -0.06 0.00 -1.03 0.00 0.00 41.12 41.49 2b3w n ASP 135 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2b3w n GLY 136 N 1.59 1.47 1.39 6.12 0.00 -1.26 -0.64 105.19 113.86 2b3w n GLY 136 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2b3w n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b3w n GLY 137 N -0.88 0.65 0.56 -0.02 0.00 -1.25 -4.33 105.19 99.92 2b3w n GLY 137 Ca -0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 2b3w n GLY 137 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2b3w n HIS 138 N -2.69 0.00 0.00 1.61 1.44 -0.61 -5.04 115.22 109.93 2b3w n HIS 138 Ca 0.00 -0.13 0.00 0.00 -2.01 0.00 0.00 57.72 55.58 2b3w n HIS 138 Cb 0.00 0.30 0.00 0.00 0.12 0.00 0.00 29.99 30.41 2b3w n HIS 138 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2b3w n GLY 139 N 0.00 1.61 2.34 -1.39 0.00 0.19 -4.79 105.19 103.15 2b3w n GLY 139 Ca -0.07 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 3.79 -0.10 1.61 3.00 -1.17 -4.19 118.16 121.10 2b3w n LYS 140 Ca 0.00 -2.35 0.04 0.00 -0.00 0.00 0.00 58.31 56.00 2b3w n LYS 140 Cb 0.00 -2.79 0.06 0.00 0.00 0.00 0.00 35.03 32.29 2b3w n LYS 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2b3w n GLY 141 N 3.39 2.66 2.15 3.14 0.00 -1.05 -4.80 105.19 110.69 2b3w n GLY 141 Ca 0.77 -0.45 -0.04 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.74 -1.11 0.00 1.61 5.02 -0.89 -1.37 118.16 120.68 2b3w n LYS 142 Ca 0.06 1.26 0.04 0.00 -2.02 0.00 0.00 58.31 57.66 2b3w n LYS 142 Cb 0.50 -3.50 0.26 0.00 -0.02 0.00 0.00 35.03 32.27 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 -0.46 0.00 -0.00 4.39 4.05 -0.59 -1.39 115.26 121.27 2b3w n ASN 143 Ca 0.05 -0.91 0.20 0.00 0.45 0.00 0.00 54.58 54.38 2b3w n ASN 143 Cb 0.23 0.00 0.69 0.00 1.23 0.00 0.00 39.78 41.94 2b3w n ASN 143 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 177.26 174.24 2b3w h ARG 144 N 0.00 0.00 -0.01 1.20 2.47 -1.88 -0.89 114.38 115.27 2b3w h ARG 144 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2b3w h ARG 144 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2b3w h ARG 144 CO 0.00 0.00 0.01 1.25 0.56 0.00 0.00 179.97 181.79 2b3w h LEU 145 N 0.00 0.01 -1.64 3.04 5.85 -1.77 0.25 115.31 121.06 2b3w h LEU 145 Ca 0.26 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2b3w h LEU 145 Cb 1.03 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 2b3w h LEU 145 CO -0.00 0.07 0.09 1.23 -0.34 0.00 0.00 178.44 179.48 2b3w h GLY 146 N -0.05 0.34 1.44 3.75 0.00 -1.33 -0.94 103.07 106.28 2b3w h GLY 146 Ca 0.00 -0.15 -0.19 0.00 0.00 0.00 0.00 47.33 46.99 2b3w h GLY 146 CO -0.00 0.14 -0.70 -1.82 0.00 0.00 0.00 176.54 174.17 2b3w h TYR 147 N 0.32 0.75 -0.75 5.60 3.20 -0.86 -1.37 116.97 123.86 2b3w h TYR 147 Ca 0.08 -0.31 0.02 0.00 3.14 0.00 0.00 58.73 61.66 2b3w h TYR 147 Cb 0.08 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.19 2b3w h TYR 147 CO 0.00 1.09 0.49 -0.07 -1.64 0.00 0.00 178.16 178.03 2b3w h LEU 148 N 0.40 0.82 -0.73 2.82 3.38 0.35 0.35 115.31 122.71 2b3w h LEU 148 Ca -0.03 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2b3w h LEU 148 Cb 1.28 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 2b3w h LEU 148 CO 0.13 0.58 0.17 -0.07 0.09 0.00 0.00 178.44 179.34 2b3w h LEU 149 N 0.96 1.08 0.04 1.67 3.38 -0.92 0.15 115.31 121.67 2b3w h LEU 149 Ca 0.29 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2b3w h LEU 149 Cb -0.04 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.43 2b3w h LEU 149 CO -0.07 1.03 -0.02 0.24 0.09 0.00 0.00 178.44 179.71 2b3w h MET 150 N 1.08 -0.05 -0.67 1.13 2.86 -0.05 0.12 114.93 119.35 2b3w h MET 150 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 2b3w h MET 150 Cb 0.37 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 2b3w h MET 150 CO 0.00 0.19 0.43 1.49 1.06 0.00 0.00 176.91 180.08 2b3w h GLU 151 N -0.29 0.89 -0.62 1.72 4.57 -0.25 -1.12 114.58 119.48 2b3w h GLU 151 Ca -0.01 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.03 2b3w h GLU 151 Cb 0.26 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 2b3w h GLU 151 CO 0.01 0.61 0.10 1.25 -1.18 0.00 0.00 179.01 179.80 2b3w h LEU 152 N 0.91 0.99 -0.61 1.64 5.85 -0.65 -0.24 115.31 123.19 2b3w h LEU 152 Ca 0.24 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.76 2b3w h LEU 152 Cb -0.07 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.65 2b3w h LEU 152 CO -0.05 1.00 0.33 -0.09 -0.34 0.00 0.00 178.44 179.29 2b3w h ARG 153 N 0.94 0.59 -0.16 1.25 2.43 -0.03 0.25 114.38 119.66 2b3w h ARG 153 Ca 0.19 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 59.15 2b3w h ARG 153 Cb 0.44 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2b3w h ARG 153 CO 0.01 0.39 -0.60 1.49 -1.51 0.00 0.00 179.97 179.76 2b3w h GLU 154 N 0.61 0.53 -0.62 0.20 4.81 -0.99 -0.09 114.58 119.02 2b3w h GLU 154 Ca 0.28 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2b3w h GLU 154 Cb 0.18 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 2b3w h GLU 154 CO -0.18 0.97 0.34 0.37 -0.73 0.00 0.00 179.01 179.77 2b3w h GLN 155 N 0.39 0.87 0.00 1.92 5.75 -0.35 -1.30 115.11 122.40 2b3w h GLN 155 Ca -0.00 -0.10 -0.12 0.00 -0.15 0.00 0.00 58.65 58.27 2b3w h GLN 155 Cb 1.15 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.51 2b3w h GLN 155 CO 0.11 0.66 -0.57 -0.07 -2.65 0.00 0.00 178.83 176.32 2b3w h LEU 156 N 0.85 0.00 -0.91 -2.39 3.38 -0.37 -2.76 115.31 113.10 2b3w h LEU 156 Ca 0.22 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 2b3w h LEU 156 Cb 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2b3w h LEU 156 CO -0.03 0.57 0.24 0.00 0.09 0.00 0.00 178.44 179.30 2b3w h ALA 157 N 1.43 1.12 -0.71 1.53 0.00 -0.43 -1.93 119.26 120.27 2b3w h ALA 157 Ca -0.01 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.75 2b3w h ALA 157 Cb 1.02 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 2b3w h ALA 157 CO 0.07 0.61 0.43 0.82 0.00 0.00 0.00 179.25 181.19 2b3w h ILE 158 N 1.01 1.06 -0.90 0.00 2.04 -0.96 0.12 117.51 119.87 2b3w h ILE 158 Ca 0.23 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 2b3w h ILE 158 Cb 0.25 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 2b3w h ILE 158 CO -0.01 0.15 0.50 -0.08 0.00 0.00 0.00 178.15 178.71 2b3w h GLU 159 N 0.83 1.25 0.00 2.37 4.81 -1.36 -1.35 114.58 121.13 2b3w h GLU 159 Ca 0.30 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 2b3w h GLU 159 Cb 0.08 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 2b3w h GLU 159 CO -0.14 0.90 -0.19 -0.22 -0.73 0.00 0.00 179.01 178.64 2b3w h LYS 160 N 1.25 0.00 0.19 1.92 3.64 -0.53 0.44 116.57 123.49 2b3w h LYS 160 Ca 0.32 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.39 2b3w h LYS 160 Cb 0.01 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 31.86 2b3w h LYS 160 CO -0.05 0.19 -1.32 -0.07 -2.27 0.00 0.00 179.45 175.93 2b3w h LEU 161 N 0.00 0.83 0.00 5.20 4.07 -0.03 -3.27 115.31 122.10 2b3w h LEU 161 Ca -0.00 -0.88 0.00 0.00 0.08 0.00 0.00 57.88 57.07 2b3w h LEU 161 Cb 0.74 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.22 2b3w h LEU 161 CO 0.03 1.64 -0.46 -0.33 -1.08 0.00 0.00 178.44 178.24 2b3w h GLU 162 N 0.14 0.00 -0.39 1.13 5.08 -1.15 -3.47 114.58 115.92 2b3w h GLU 162 Ca -0.22 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.98 2b3w h GLU 162 Cb 2.01 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 31.20 2b3w h GLU 162 CO 0.25 0.00 -0.15 0.72 -1.00 0.00 0.00 179.01 178.83 2b3w n HIS 163 N -2.69 0.00 -2.37 4.33 8.25 0.15 -4.94 115.22 117.97 2b3w n HIS 163 Ca 0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 2b3w n HIS 163 Cb 0.51 -2.20 -0.03 0.00 1.12 0.00 0.00 29.99 29.39 2b3w n HIS 163 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2b3w s HIS 164 N -1.90 3.17 0.25 4.41 -3.43 -1.17 -5.01 115.29 111.61 2b3w s HIS 164 Ca 0.00 1.11 0.02 0.00 -0.80 0.00 0.00 55.06 55.39 2b3w s HIS 164 Cb 0.00 -3.50 -0.03 0.00 -1.43 0.00 0.00 32.58 27.61 2b3w s HIS 164 CO 0.00 -1.68 0.41 -1.01 -2.00 0.00 0.00 174.74 170.46 2b3w s HIS 165 N 1.88 3.48 0.17 0.38 3.76 -1.26 -4.90 115.29 118.78 2b3w s HIS 165 Ca 0.59 0.18 -0.14 0.00 -0.15 0.00 0.00 55.06 55.54 2b3w s HIS 165 Cb -0.29 -1.74 0.02 0.00 1.11 0.00 0.00 32.58 31.68 2b3w s HIS 165 CO 0.26 0.34 0.41 -3.38 -0.85 0.00 0.00 174.74 171.52 2b3w s HIS 166 N -2.03 0.04 -0.10 1.40 -3.43 -1.26 -5.08 115.29 104.83 2b3w s HIS 166 Ca 0.37 -0.39 -0.05 0.00 -0.80 0.00 0.00 55.06 54.20 2b3w s HIS 166 Cb -0.10 0.21 -0.26 0.00 -1.43 0.00 0.00 32.58 31.00 2b3w s HIS 166 CO 0.31 -0.80 0.44 0.45 -2.00 0.00 0.00 174.74 173.13 2b3w h HIS 167 N 2.36 0.44 0.00 0.38 3.86 -2.06 -3.54 115.15 116.59 2b3w h HIS 167 Ca -0.31 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 58.58 2b3w h HIS 167 Cb 1.25 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.70 2b3w h HIS 167 CO 0.36 1.68 0.00 -2.39 0.86 0.00 0.00 177.93 178.44