#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 2.19 0.16 0.03 0.04 -1.26 -4.97 135.00 131.19 2b3w s PRO 2 Ca 0.00 0.83 0.02 0.00 0.04 0.00 0.00 61.00 61.90 2b3w s PRO 2 Cb 0.00 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 2b3w s PRO 2 CO 0.00 -1.60 1.37 0.28 0.04 0.00 0.00 177.00 177.09 2b3w h VAL 3 N -1.08 1.50 -5.53 -0.36 2.07 -2.05 -3.48 116.25 107.32 2b3w h VAL 3 Ca -0.46 -2.64 -0.29 0.00 0.82 0.00 0.00 66.70 64.13 2b3w h VAL 3 Cb 1.25 2.48 0.18 0.00 -1.52 0.00 0.00 31.29 33.68 2b3w h VAL 3 CO 0.57 0.77 -0.80 -1.14 0.02 0.00 0.00 177.57 176.99 2b3w n ARG 4 N -3.65 -4.81 -2.28 1.57 0.63 -1.26 -4.87 116.66 101.99 2b3w n ARG 4 Ca -0.04 0.85 -0.41 0.00 -0.92 0.00 0.00 57.85 57.34 2b3w n ARG 4 Cb 0.81 -5.81 -0.01 0.00 0.45 0.00 0.00 32.46 27.90 2b3w n ARG 4 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2b3w n ALA 5 N -3.74 3.67 -2.42 5.13 0.00 -1.26 -4.93 120.51 116.96 2b3w n ALA 5 Ca -0.20 -3.71 -0.43 0.00 0.00 0.00 0.00 53.44 49.10 2b3w n ALA 5 Cb 0.65 -3.58 -0.02 0.00 0.00 0.00 0.00 19.45 16.50 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 4.39 4.04 -0.15 0.00 0.74 -1.26 -5.01 119.66 122.41 2b3w s GLN 6 Ca 0.55 1.42 -0.08 0.00 0.05 0.00 0.00 55.36 57.30 2b3w s GLN 6 Cb 0.06 -3.84 -0.04 0.00 1.10 0.00 0.00 33.01 30.29 2b3w s GLN 6 CO 0.06 -0.96 0.13 0.50 -0.55 0.00 0.00 175.29 174.46 2b3w s ARG 7 N 3.92 3.75 0.50 1.67 3.52 -1.26 -5.06 118.95 125.98 2b3w s ARG 7 Ca 0.56 -0.19 -0.23 0.00 -0.13 0.00 0.00 55.73 55.74 2b3w s ARG 7 Cb -0.19 -3.27 -0.06 0.00 -1.56 0.00 0.00 34.95 29.87 2b3w s ARG 7 CO 0.20 0.56 1.32 0.42 -0.81 0.00 0.00 175.30 176.98 2b3w s ILE 8 N -0.39 2.37 0.11 4.11 1.01 -1.26 -4.93 121.20 122.20 2b3w s ILE 8 Ca 0.11 0.29 -0.27 0.00 0.00 0.00 0.00 60.65 60.78 2b3w s ILE 8 Cb -0.12 -3.15 -0.10 0.00 0.01 0.00 0.00 42.46 39.10 2b3w s ILE 8 CO 0.01 0.01 1.64 1.56 0.00 0.00 0.00 174.94 178.16 2b3w h GLN 9 N 1.83 -0.46 -1.61 2.79 7.50 -1.98 -3.45 115.11 119.74 2b3w h GLN 9 Ca -0.50 0.03 0.06 0.00 0.50 0.00 0.00 58.65 58.74 2b3w h GLN 9 Cb 1.28 0.11 -0.26 0.00 0.05 0.00 0.00 27.48 28.65 2b3w h GLN 9 CO 0.59 -0.31 0.44 -1.58 -1.50 0.00 0.00 178.83 176.47 2b3w s HIS 10 N -6.07 -0.49 0.56 2.96 5.65 -1.26 -5.15 115.29 111.49 2b3w s HIS 10 Ca -0.16 1.18 -0.21 0.00 0.25 0.00 0.00 55.06 56.12 2b3w s HIS 10 Cb 0.07 0.36 -0.05 0.00 -1.18 0.00 0.00 32.58 31.79 2b3w s HIS 10 CO 0.65 -0.23 1.33 1.33 -0.65 0.00 0.00 174.74 177.17 2b3w n VAL 11 N 2.28 3.92 -0.41 0.89 0.24 -1.26 -4.89 118.33 119.10 2b3w n VAL 11 Ca -0.13 -0.50 -0.01 0.00 -2.04 0.00 0.00 64.34 61.66 2b3w n VAL 11 Cb 0.56 -1.62 0.25 0.00 -1.47 0.00 0.00 33.84 31.56 2b3w n VAL 11 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 2b3w n MET 12 N -1.08 3.28 0.00 7.34 2.81 -1.26 -4.93 117.12 123.28 2b3w n MET 12 Ca 0.11 -2.22 0.00 0.00 -1.81 0.00 0.00 57.70 53.78 2b3w n MET 12 Cb 0.45 -1.99 0.00 0.00 -0.71 0.00 0.00 33.22 30.97 2b3w n MET 12 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2b3w n GLN 13 N 0.15 0.00 -0.66 0.03 6.02 -1.26 -4.42 117.38 117.24 2b3w n GLN 13 Ca 0.26 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.20 2b3w n GLN 13 Cb 1.04 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 32.22 2b3w n GLN 13 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2b3w n ASP 14 N 1.69 4.74 -4.52 1.08 9.92 -1.26 -4.72 116.55 123.49 2b3w n ASP 14 Ca 0.00 -2.32 -0.42 0.00 -0.53 0.00 0.00 54.79 51.53 2b3w n ASP 14 Cb 0.00 -1.14 -0.09 0.00 -0.64 0.00 0.00 41.12 39.25 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 0.69 5.17 -0.37 -3.53 2.01 -1.26 -5.03 115.64 113.32 2b3w s THR 15 Ca 0.29 -0.17 -0.05 0.00 0.31 0.00 0.00 61.69 62.07 2b3w s THR 15 Cb 0.14 -3.88 0.07 0.00 0.01 0.00 0.00 72.50 68.84 2b3w s THR 15 CO 0.00 -0.19 0.14 -0.63 -0.69 0.00 0.00 174.62 173.25 2b3w s ILE 16 N 1.97 3.52 -0.58 1.82 1.01 -1.26 -2.23 121.20 125.45 2b3w s ILE 16 Ca 0.10 -1.54 -0.20 0.00 0.00 0.00 0.00 60.65 59.01 2b3w s ILE 16 Cb -0.17 -3.16 0.08 0.00 0.01 0.00 0.00 42.46 39.22 2b3w s ILE 16 CO 0.12 -0.39 0.75 -0.63 0.00 0.00 0.00 174.94 174.79 2b3w s ILE 17 N 1.29 4.71 -0.15 2.92 1.01 -0.39 -4.97 121.20 125.62 2b3w s ILE 17 Ca 0.01 -0.63 -0.07 0.00 0.00 0.00 0.00 60.65 59.97 2b3w s ILE 17 Cb -0.21 -4.48 -0.04 0.00 0.01 0.00 0.00 42.46 37.74 2b3w s ILE 17 CO -0.01 -1.10 0.07 0.54 0.00 0.00 0.00 174.94 174.45 2b3w s ASN 18 N 3.31 5.77 -0.00 3.58 2.20 -1.25 -1.61 114.94 126.93 2b3w s ASN 18 Ca 0.16 0.19 -0.01 0.00 -0.94 0.00 0.00 52.86 52.26 2b3w s ASN 18 Cb -0.20 -1.91 -0.00 0.00 -2.00 0.00 0.00 41.25 37.14 2b3w s ASN 18 CO 0.10 0.26 0.01 0.72 -2.94 0.00 0.00 177.10 175.25 2b3w s PHE 19 N -0.16 0.02 -0.29 1.54 -0.71 -0.60 -4.97 117.98 112.81 2b3w s PHE 19 Ca 0.08 -0.04 0.01 0.00 -1.04 0.00 0.00 56.93 55.93 2b3w s PHE 19 Cb -0.12 -0.02 0.15 0.00 -1.21 0.00 0.00 43.02 41.82 2b3w s PHE 19 CO 0.01 -0.04 0.37 -0.47 -1.34 0.00 0.00 175.22 173.75 2b3w s TYR 20 N -0.22 -0.80 0.00 3.49 5.04 -1.26 -1.61 117.35 121.99 2b3w s TYR 20 Ca -0.02 0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.75 2b3w s TYR 20 Cb -0.02 -0.27 0.00 0.00 0.35 0.00 0.00 41.96 42.03 2b3w s TYR 20 CO -0.00 -0.96 0.00 0.45 -1.34 0.00 0.00 175.55 173.70 2b3w n SER 21 N 5.34 0.00 0.00 4.32 2.88 -1.26 -5.04 113.62 119.86 2b3w n SER 21 Ca -0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2b3w n SER 21 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 2b3w n SER 21 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2b3w n THR 22 N 0.00 0.00 0.00 2.46 -1.04 -1.26 -3.39 114.28 111.05 2b3w n THR 22 Ca 0.00 0.77 0.00 0.00 -2.04 0.00 0.00 64.05 62.78 2b3w n THR 22 Cb 0.00 -1.75 0.00 0.00 -1.82 0.00 0.00 70.33 66.76 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 -1.96 0.00 -0.91 8.00 7.64 -1.26 -1.57 113.62 123.56 2b3w n SER 23 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 2b3w n SER 23 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 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 2.55 -0.53 0.00 6.43 5.75 -1.26 -5.07 116.55 124.42 2b3w n ASP 24 Ca 0.00 -1.76 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 2b3w n ASP 24 Cb 0.00 0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 2b3w n ASP 24 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2b3w n ASP 25 N 0.05 0.57 0.00 -1.12 2.03 -0.61 -4.91 116.55 112.56 2b3w n ASP 25 Ca -0.17 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.19 2b3w n ASP 25 Cb 0.70 0.00 0.31 0.00 -0.72 0.00 0.00 41.12 41.41 2b3w n ASP 25 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2b3w n TYR 26 N 0.00 0.00 0.54 -0.67 4.02 -1.26 -3.05 117.16 116.74 2b3w n TYR 26 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.93 2b3w n TYR 26 Cb 0.00 -0.07 0.26 0.00 -0.02 0.00 0.00 39.34 39.51 2b3w n TYR 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2b3w n GLY 27 N -0.34 -0.30 0.34 2.72 0.00 -1.22 -2.85 105.19 103.55 2b3w n GLY 27 Ca 0.07 -0.05 0.17 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 0.00 0.49 1.61 3.58 -1.77 0.13 116.42 120.47 2b3w h ASP 28 Ca 0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 2b3w h ASP 28 Cb 0.01 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 2b3w h ASP 28 CO 0.00 0.00 -0.16 -0.26 -2.88 0.00 0.00 179.24 175.94 2b3w h PHE 29 N 0.00 0.00 -2.98 0.28 0.04 -1.86 -3.42 116.94 109.00 2b3w h PHE 29 Ca 0.11 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.35 2b3w h PHE 29 Cb 0.57 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.74 2b3w h PHE 29 CO 0.00 0.16 0.75 -1.12 -0.60 0.00 0.00 178.31 177.50 2b3w s SER 30 N -6.21 6.83 0.00 2.17 0.01 0.47 -4.89 113.70 112.08 2b3w s SER 30 Ca -0.02 2.28 0.00 0.00 1.31 0.00 0.00 55.95 59.52 2b3w s SER 30 Cb 0.13 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.77 2b3w s SER 30 CO 0.61 -0.67 0.78 0.59 0.41 0.00 0.00 173.24 174.96 2b3w n ASN 31 N 4.26 0.04 -0.79 2.44 3.02 -1.26 -1.96 115.26 121.01 2b3w n ASN 31 Ca 0.12 -1.61 0.12 0.00 -0.03 0.00 0.00 54.58 53.18 2b3w n ASN 31 Cb 0.43 -0.02 0.30 0.00 -0.61 0.00 0.00 39.78 39.87 2b3w n ASN 31 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2b3w n PHE 32 N -0.47 0.17 -1.88 3.10 7.35 -1.26 -3.84 117.46 120.62 2b3w n PHE 32 Ca 0.00 -0.08 -0.42 0.00 -0.76 0.00 0.00 57.45 56.19 2b3w n PHE 32 Cb 0.01 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.81 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 -1.83 3.82 -1.40 3.13 0.00 -0.83 -4.89 121.76 119.76 2b3w s ALA 33 Ca 0.34 1.42 -0.08 0.00 0.00 0.00 0.00 51.96 53.64 2b3w s ALA 33 Cb 0.20 -3.65 0.07 0.00 0.00 0.00 0.00 23.12 19.75 2b3w s ALA 33 CO 0.30 -0.83 2.41 0.00 0.00 0.00 0.00 175.76 177.64 2b3w n ALA 34 N 4.06 6.60 -2.77 0.00 0.00 -1.26 -4.41 120.51 122.72 2b3w n ALA 34 Ca 0.14 -3.98 -0.36 0.00 0.00 0.00 0.00 53.44 49.24 2b3w n ALA 34 Cb 0.38 -3.02 -0.10 0.00 0.00 0.00 0.00 19.45 16.70 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 0.30 3.25 -0.07 0.00 0.52 -1.24 -4.93 118.94 116.78 2b3w s TRP 35 Ca 0.54 0.07 -0.29 0.00 0.02 0.00 0.00 56.10 56.44 2b3w s TRP 35 Cb 0.16 -2.21 -0.07 0.00 -1.15 0.00 0.00 33.47 30.20 2b3w s TRP 35 CO -0.07 0.01 1.98 -2.14 0.02 0.00 0.00 176.95 176.76 2b3w s PRO 36 N 0.97 3.83 -0.09 4.98 0.02 -1.26 -3.91 135.00 139.53 2b3w s PRO 36 Ca 0.06 2.33 0.03 0.00 0.02 0.00 0.00 61.00 63.44 2b3w s PRO 36 Cb -0.14 -4.20 -0.01 0.00 0.02 0.00 0.00 34.50 30.18 2b3w s PRO 36 CO 0.03 -1.30 -0.19 0.96 -0.33 0.00 0.00 177.00 176.18 2b3w s ILE 37 N 5.57 2.57 -0.55 2.83 -4.36 0.61 -4.92 121.20 122.95 2b3w s ILE 37 Ca 0.89 -0.85 -0.21 0.00 -0.26 0.00 0.00 60.65 60.22 2b3w s ILE 37 Cb -0.38 -2.02 0.06 0.00 1.25 0.00 0.00 42.46 41.38 2b3w s ILE 37 CO 0.38 0.55 0.75 -0.75 0.24 0.00 0.00 174.94 176.12 2b3w s LYS 38 N 0.06 3.15 -0.21 0.37 2.47 -1.26 0.05 119.74 124.37 2b3w s LYS 38 Ca -0.08 -0.82 0.02 0.00 -1.56 0.00 0.00 55.97 53.53 2b3w s LYS 38 Cb -0.15 -4.14 0.04 0.00 -1.46 0.00 0.00 37.83 32.12 2b3w s LYS 38 CO 0.05 -1.42 -0.14 0.08 0.16 0.00 0.00 175.35 174.08 2b3w s VAL 39 N 3.12 1.97 -0.83 4.02 1.01 0.90 -4.70 120.40 125.89 2b3w s VAL 39 Ca 0.19 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2b3w s VAL 39 Cb -0.18 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.25 2b3w s VAL 39 CO 0.12 0.25 0.00 0.47 0.00 0.00 0.00 175.10 175.94 2b3w n ASP 40 N 4.58 -5.13 0.00 3.32 8.00 -1.26 -1.71 116.55 124.35 2b3w n ASP 40 Ca -0.17 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2b3w n ASP 40 Cb 0.46 -3.32 0.00 0.00 -0.02 0.00 0.00 41.12 38.25 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 -0.44 1.47 3.61 0.44 0.00 -1.26 -5.10 105.19 103.90 2b3w n GLY 41 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.27 2.60 -0.55 1.61 -0.14 -0.69 -5.08 119.74 117.23 2b3w s LYS 42 Ca 0.00 -0.69 -0.20 0.00 -1.36 0.00 0.00 55.97 53.72 2b3w s LYS 42 Cb 0.00 -2.53 0.07 0.00 -1.68 0.00 0.00 37.83 33.68 2b3w s LYS 42 CO 0.00 0.61 0.72 0.99 -0.76 0.00 0.00 175.35 176.91 2b3w s THR 43 N -0.99 4.74 -0.05 2.17 2.01 -1.26 -0.07 115.64 122.20 2b3w s THR 43 Ca 0.17 -0.50 -0.18 0.00 0.31 0.00 0.00 61.69 61.48 2b3w s THR 43 Cb -0.11 -4.42 -0.05 0.00 0.01 0.00 0.00 72.50 67.93 2b3w s THR 43 CO 0.07 -0.99 0.50 0.26 -0.69 0.00 0.00 174.62 173.77 2b3w s TRP 44 N 2.96 3.63 -1.86 4.92 0.52 0.11 -4.84 118.94 124.37 2b3w s TRP 44 Ca 0.17 1.02 0.26 0.00 0.02 0.00 0.00 56.10 57.57 2b3w s TRP 44 Cb -0.19 -2.50 1.50 0.00 -1.15 0.00 0.00 33.47 31.12 2b3w s TRP 44 CO 0.11 0.35 1.90 -2.30 0.02 0.00 0.00 176.95 177.04 2b3w n PRO 45 N 2.86 0.71 -3.58 4.98 -0.02 -1.26 -0.28 135.00 138.41 2b3w n PRO 45 Ca -0.09 0.01 -0.10 0.00 -2.02 0.00 0.00 63.50 61.31 2b3w n PRO 45 Cb 0.52 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.45 2b3w n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2b3w s THR 46 N -2.14 0.00 0.25 3.45 2.01 -1.25 -3.63 115.64 114.33 2b3w s THR 46 Ca 0.36 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.31 2b3w s THR 46 Cb 0.18 -1.00 0.24 0.00 0.01 0.00 0.00 72.50 71.93 2b3w s THR 46 CO 0.32 0.00 1.88 0.28 -0.69 0.00 0.00 174.62 176.42 2b3w h SER 47 N 2.50 1.00 -0.34 3.53 0.02 -1.77 -2.01 113.55 116.48 2b3w h SER 47 Ca -0.17 -0.00 0.07 0.00 -0.84 0.00 0.00 61.79 60.84 2b3w h SER 47 Cb 1.17 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 2b3w h SER 47 CO 0.30 0.67 0.23 -0.08 -1.14 0.00 0.00 176.83 176.81 2b3w h GLU 48 N 1.15 0.16 -0.42 3.45 4.57 -1.94 -0.11 114.58 121.44 2b3w h GLU 48 Ca 0.39 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.51 2b3w h GLU 48 Cb 0.07 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 2b3w h GLU 48 CO -0.14 0.10 0.08 0.45 -1.18 0.00 0.00 179.01 178.32 2b3w h HIS 49 N 0.16 0.73 -0.12 0.92 3.86 -1.72 0.49 115.15 119.48 2b3w h HIS 49 Ca 0.15 -0.10 -0.17 0.00 -1.16 0.00 0.00 60.37 59.10 2b3w h HIS 49 Cb 0.40 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 2b3w h HIS 49 CO -0.00 0.70 -0.64 -0.92 0.86 0.00 0.00 177.93 177.93 2b3w h TYR 50 N 0.55 0.58 -0.35 2.45 3.20 -1.40 -1.77 116.97 120.24 2b3w h TYR 50 Ca 0.13 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.77 2b3w h TYR 50 Cb 0.35 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 2b3w h TYR 50 CO 0.02 0.96 0.22 0.35 -1.64 0.00 0.00 178.16 178.08 2b3w h PHE 51 N 0.33 0.44 -0.45 -3.82 3.57 -0.68 -2.20 116.94 114.13 2b3w h PHE 51 Ca -0.01 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.53 2b3w h PHE 51 Cb 1.19 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.74 2b3w h PHE 51 CO 0.04 0.29 0.23 1.96 -2.23 0.00 0.00 178.31 178.61 2b3w h GLN 52 N 0.46 0.45 -0.48 1.11 1.08 0.10 -1.11 115.11 116.72 2b3w h GLN 52 Ca 0.13 -0.03 0.06 0.00 -1.45 0.00 0.00 58.65 57.36 2b3w h GLN 52 Cb -0.03 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.27 2b3w h GLN 52 CO -0.03 0.30 0.32 0.00 -0.95 0.00 0.00 178.83 178.47 2b3w h ALA 53 N 1.23 1.91 0.00 3.87 0.00 -0.87 -1.02 119.26 124.39 2b3w h ALA 53 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2b3w h ALA 53 Cb 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2b3w h ALA 53 CO -0.13 0.00 -0.88 0.94 0.00 0.00 0.00 179.25 179.18 2b3w n GLN 54 N -4.48 0.28 -0.12 0.00 -0.06 -0.87 -4.05 117.38 108.09 2b3w n GLN 54 Ca 0.06 0.03 -0.09 0.00 -2.00 0.00 0.00 57.00 55.00 2b3w n GLN 54 Cb 0.24 -1.62 0.06 0.00 -4.06 0.00 0.00 30.24 24.85 2b3w n GLN 54 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 2b3w h LYS 55 N 0.00 0.88 -6.10 3.69 1.57 0.11 -3.44 116.57 113.28 2b3w h LYS 55 Ca 0.00 -0.35 -0.68 0.00 -1.87 0.00 0.00 60.65 57.75 2b3w h LYS 55 Cb 0.73 -0.04 -0.19 0.00 0.08 0.00 0.00 32.23 32.80 2b3w h LYS 55 CO 0.00 0.99 -0.69 -0.06 -0.57 0.00 0.00 179.45 179.12 2b3w s PHE 56 N -4.67 2.94 -1.31 -1.35 0.08 -1.15 -2.32 117.98 110.19 2b3w s PHE 56 Ca -0.10 -0.00 0.26 0.00 0.12 0.00 0.00 56.93 57.21 2b3w s PHE 56 Cb 0.13 -1.72 0.66 0.00 -0.57 0.00 0.00 43.02 41.51 2b3w s PHE 56 CO 0.85 0.31 1.51 1.47 -0.10 0.00 0.00 175.22 179.26 2b3w n LEU 57 N 2.30 0.68 -4.75 -0.37 -0.00 -1.26 -4.81 117.00 108.78 2b3w n LEU 57 Ca -0.18 -0.08 -0.41 0.00 -0.00 0.00 0.00 56.01 55.34 2b3w n LEU 57 Cb 0.53 -0.21 -0.04 0.00 -0.00 0.00 0.00 43.42 43.70 2b3w n LEU 57 CO 0.27 0.14 0.84 -0.62 -0.00 0.00 0.00 177.39 178.02 2b3w s ASP 58 N -2.79 7.16 0.13 1.45 2.15 -1.26 -4.95 116.67 118.56 2b3w s ASP 58 Ca 0.17 2.31 -0.11 0.00 0.43 0.00 0.00 52.55 55.36 2b3w s ASP 58 Cb 0.18 -2.63 -0.09 0.00 -0.30 0.00 0.00 42.92 40.09 2b3w s ASP 58 CO 0.62 -0.24 1.39 -0.33 -0.17 0.00 0.00 175.17 176.43 2b3w h GLU 59 N 4.10 0.82 0.13 4.34 4.39 -1.99 -2.60 114.58 123.77 2b3w h GLU 59 Ca -0.46 -0.56 -0.30 0.00 0.34 0.00 0.00 59.36 58.37 2b3w h GLU 59 Cb 1.21 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 2b3w h GLU 59 CO 0.68 1.19 -1.46 -0.22 -1.16 0.00 0.00 179.01 178.04 2b3w h LYS 60 N 0.61 0.28 -0.46 2.33 3.11 -1.98 -2.30 116.57 118.16 2b3w h LYS 60 Ca -0.01 -0.49 -0.10 0.00 -2.81 0.00 0.00 60.65 57.25 2b3w h LYS 60 Cb 1.23 0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 32.63 2b3w h LYS 60 CO 0.13 1.18 -0.10 -0.92 -2.81 0.00 0.00 179.45 176.93 2b3w h TYR 61 N 0.08 0.90 -0.44 1.91 3.20 -1.98 0.16 116.97 120.81 2b3w h TYR 61 Ca -0.22 -0.17 -0.10 0.00 3.14 0.00 0.00 58.73 61.38 2b3w h TYR 61 Cb 2.02 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 40.04 2b3w h TYR 61 CO 0.07 0.88 -0.13 -0.09 -1.64 0.00 0.00 178.16 177.25 2b3w h ARG 62 N 0.74 0.81 -0.26 1.82 2.43 -1.51 -1.48 114.38 116.94 2b3w h ARG 62 Ca 0.13 -0.28 -0.04 0.00 -0.81 0.00 0.00 59.98 58.97 2b3w h ARG 62 Cb 0.60 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 2b3w h ARG 62 CO 0.04 0.90 -0.01 1.49 -1.51 0.00 0.00 179.97 180.88 2b3w h GLU 63 N 0.73 0.38 -0.26 0.20 4.81 -0.79 -1.78 114.58 117.87 2b3w h GLU 63 Ca 0.12 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.15 2b3w h GLU 63 Cb 0.63 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2b3w h GLU 63 CO 0.04 0.42 -0.38 1.49 -0.73 0.00 0.00 179.01 179.85 2b3w h GLU 64 N 0.37 0.59 -0.40 1.92 4.57 -0.06 -2.63 114.58 118.94 2b3w h GLU 64 Ca 0.08 -0.29 -0.00 0.00 -1.18 0.00 0.00 59.36 57.97 2b3w h GLU 64 Cb 0.27 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 2b3w h GLU 64 CO 0.01 0.88 0.23 0.82 -1.18 0.00 0.00 179.01 179.76 2b3w h ILE 65 N 0.49 1.12 -0.20 2.32 1.08 -0.44 -0.04 117.51 121.85 2b3w h ILE 65 Ca 0.05 -0.29 -0.06 0.00 -0.39 0.00 0.00 64.86 64.16 2b3w h ILE 65 Cb 0.88 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 2b3w h ILE 65 CO 0.08 0.13 -0.16 0.03 -0.69 0.00 0.00 178.15 177.53 2b3w h ARG 66 N 0.55 0.33 0.08 2.37 3.08 -1.07 -3.23 114.38 116.48 2b3w h ARG 66 Ca 0.14 -0.09 -0.26 0.00 0.07 0.00 0.00 59.98 59.84 2b3w h ARG 66 Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2b3w h ARG 66 CO -0.03 0.49 -1.26 0.00 -1.07 0.00 0.00 179.97 178.10 2b3w h ARG 67 N 0.30 0.16 -6.29 0.04 3.08 -0.87 -3.44 114.38 107.37 2b3w h ARG 67 Ca 0.06 -0.28 -0.57 0.00 0.07 0.00 0.00 59.98 59.26 2b3w h ARG 67 Cb 0.47 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.60 2b3w h ARG 67 CO 0.03 1.07 1.20 0.54 -1.07 0.00 0.00 179.97 181.74 2b3w s VAL 68 N -2.66 3.58 0.11 2.04 0.11 -0.58 -4.87 120.40 118.13 2b3w s VAL 68 Ca -0.04 0.63 -0.13 0.00 -2.93 0.00 0.00 61.98 59.52 2b3w s VAL 68 Cb 0.08 -3.67 -0.12 0.00 -1.53 0.00 0.00 36.38 31.14 2b3w s VAL 68 CO 0.85 -0.35 1.36 0.28 -3.33 0.00 0.00 175.10 173.91 2b3w h SER 69 N 11.71 0.94 -3.48 3.54 0.02 -1.89 -3.45 113.55 120.95 2b3w h SER 69 Ca -0.34 -0.56 -0.53 0.00 -0.84 0.00 0.00 61.79 59.51 2b3w h SER 69 Cb 1.16 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.40 2b3w h SER 69 CO 1.01 1.34 0.30 -0.44 -1.14 0.00 0.00 176.83 177.91 2b3w s SER 70 N -6.96 7.37 0.10 3.07 0.01 -1.26 -4.90 113.70 111.13 2b3w s SER 70 Ca -0.11 1.64 -0.16 0.00 1.31 0.00 0.00 55.95 58.63 2b3w s SER 70 Cb 0.09 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.72 2b3w s SER 70 CO 0.89 -0.11 1.52 -0.65 0.41 0.00 0.00 173.24 175.30 2b3w h PRO 71 N 6.03 0.61 -0.36 12.44 0.11 -1.93 -3.10 132.00 145.80 2b3w h PRO 71 Ca -0.42 -0.22 -0.11 0.00 0.11 0.00 0.00 66.00 65.35 2b3w h PRO 71 Cb 1.21 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2b3w h PRO 71 CO 0.73 0.78 -0.23 1.98 -0.21 0.00 0.00 178.00 181.05 2b3w h MET 72 N 0.40 0.70 -0.57 1.05 4.05 -1.98 -0.14 114.93 118.44 2b3w h MET 72 Ca 0.09 -0.28 -0.03 0.00 -0.28 0.00 0.00 59.70 59.20 2b3w h MET 72 Cb 0.53 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.27 2b3w h MET 72 CO 0.03 0.87 0.26 0.28 0.23 0.00 0.00 176.91 178.57 2b3w h VAL 73 N 0.62 1.21 -0.44 -5.77 2.07 -1.98 0.24 116.25 112.19 2b3w h VAL 73 Ca 0.09 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 2b3w h VAL 73 Cb 0.71 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2b3w h VAL 73 CO 0.05 0.25 0.07 0.00 0.02 0.00 0.00 177.57 177.96 2b3w h ALA 74 N 1.10 0.59 -0.83 1.67 0.00 -1.38 -2.24 119.26 118.16 2b3w h ALA 74 Ca 0.19 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2b3w h ALA 74 Cb 0.15 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2b3w h ALA 74 CO -0.02 0.32 0.38 0.00 0.00 0.00 0.00 179.25 179.93 2b3w h ALA 75 N 0.94 1.10 0.37 0.00 0.00 -0.71 -0.14 119.26 120.81 2b3w h ALA 75 Ca 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2b3w h ALA 75 Cb 0.39 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2b3w h ALA 75 CO 0.01 0.67 -0.18 -0.09 0.00 0.00 0.00 179.25 179.66 2b3w h ARG 76 N 1.20 -0.47 0.00 0.00 1.12 -0.32 0.11 114.38 116.01 2b3w h ARG 76 Ca 0.28 0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.19 2b3w h ARG 76 Cb 0.15 0.11 0.00 0.00 -0.01 0.00 0.00 29.97 30.22 2b3w h ARG 76 CO -0.03 -0.27 0.00 0.00 -3.11 0.00 0.00 179.97 176.56 2b3w h MET 77 N -0.57 0.00 -0.01 0.20 -0.00 -1.32 -1.73 114.93 111.51 2b3w h MET 77 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.65 2b3w h MET 77 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.02 2b3w h MET 77 CO 0.08 0.00 -0.37 0.41 -0.00 0.00 0.00 176.91 177.03 2b3w n GLY 78 N 0.57 -0.43 0.38 -3.00 0.00 -0.07 -3.62 105.19 99.02 2b3w n GLY 78 Ca 0.03 -0.49 0.11 0.00 0.00 0.00 0.00 46.02 45.67 2b3w n GLY 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2b3w n ARG 79 N -0.50 0.94 -2.72 1.61 0.63 0.34 -4.90 116.66 112.05 2b3w n ARG 79 Ca 0.11 -0.75 -0.43 0.00 -0.92 0.00 0.00 57.85 55.85 2b3w n ARG 79 Cb 0.39 -1.48 -0.03 0.00 0.45 0.00 0.00 32.46 31.79 2b3w n ARG 79 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2b3w s ASP 80 N -2.58 6.97 -1.22 6.15 2.15 -1.04 -4.96 116.67 122.13 2b3w s ASP 80 Ca 0.17 1.17 -0.06 0.00 0.43 0.00 0.00 52.55 54.26 2b3w s ASP 80 Cb 0.18 -2.51 0.20 0.00 -0.30 0.00 0.00 42.92 40.49 2b3w s ASP 80 CO 0.62 -0.68 1.91 -1.14 -0.17 0.00 0.00 175.17 175.71 2b3w n ARG 81 N 6.38 4.22 0.00 4.34 0.63 -1.26 -3.82 116.66 127.15 2b3w n ARG 81 Ca 0.10 -3.85 0.00 0.00 -0.92 0.00 0.00 57.85 53.18 2b3w n ARG 81 Cb 0.47 -2.72 0.00 0.00 0.45 0.00 0.00 32.46 30.66 2b3w n ARG 81 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2b3w n SER 82 N 2.41 0.12 -4.97 6.15 3.41 -1.26 -5.10 113.62 114.38 2b3w n SER 82 Ca 0.43 -1.05 -0.21 0.00 -0.26 0.00 0.00 58.87 57.77 2b3w n SER 82 Cb 0.32 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.25 2b3w n SER 82 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2b3w s LYS 83 N -0.05 3.44 -0.53 4.33 -0.14 -1.25 -5.02 119.74 120.52 2b3w s LYS 83 Ca 0.00 -0.76 -0.27 0.00 -1.36 0.00 0.00 55.97 53.58 2b3w s LYS 83 Cb 0.00 -2.89 -0.04 0.00 -1.68 0.00 0.00 37.83 33.23 2b3w s LYS 83 CO 0.00 0.43 2.02 -2.14 -0.76 0.00 0.00 175.35 174.90 2b3w s PRO 84 N -3.98 2.58 0.18 -1.68 0.02 -1.26 -4.96 135.00 125.90 2b3w s PRO 84 Ca 0.34 0.99 -0.30 0.00 0.02 0.00 0.00 61.00 62.05 2b3w s PRO 84 Cb -0.09 -4.42 -0.08 0.00 0.02 0.00 0.00 34.50 29.93 2b3w s PRO 84 CO 0.29 -2.76 1.03 -0.51 -0.33 0.00 0.00 177.00 174.72 2b3w s LEU 85 N 9.69 4.53 0.17 -5.54 1.43 -1.26 -4.20 118.68 123.50 2b3w s LEU 85 Ca 0.79 2.00 -0.31 0.00 -1.03 0.00 0.00 54.13 55.58 2b3w s LEU 85 Cb -0.16 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.37 2b3w s LEU 85 CO 0.24 -0.09 1.44 -0.60 0.23 0.00 0.00 176.35 177.57 2b3w s ARG 86 N -0.56 4.29 0.05 1.70 3.52 -0.98 -4.92 118.95 122.06 2b3w s ARG 86 Ca 0.46 2.20 -0.26 0.00 -0.13 0.00 0.00 55.73 58.01 2b3w s ARG 86 Cb -0.27 -3.18 -0.17 0.00 -1.56 0.00 0.00 34.95 29.77 2b3w s ARG 86 CO 0.34 -0.45 1.54 -0.22 -0.81 0.00 0.00 175.30 175.70 2b3w h LYS 87 N 6.18 -0.24 -0.80 5.12 1.63 -1.94 -2.65 116.57 123.87 2b3w h LYS 87 Ca -0.43 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.37 2b3w h LYS 87 Cb 1.21 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.89 2b3w h LYS 87 CO 0.84 -0.05 0.01 0.09 -3.45 0.00 0.00 179.45 176.90 2b3w n ASN 88 N -5.13 3.31 0.04 4.20 4.13 -1.26 -4.13 115.26 116.41 2b3w n ASN 88 Ca -0.09 -2.46 0.05 0.00 1.68 0.00 0.00 54.58 53.76 2b3w n ASN 88 Cb 0.17 -0.59 0.47 0.00 -1.54 0.00 0.00 39.78 38.29 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 1.89 0.42 -0.95 3.10 2.91 -1.85 -1.55 115.95 119.93 2b3w h TRP 89 Ca 0.01 0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.11 2b3w h TRP 89 Cb 1.25 -0.14 -0.07 0.00 -0.51 0.00 0.00 29.16 29.69 2b3w h TRP 89 CO 0.54 0.26 0.61 1.49 -1.03 0.00 0.00 178.44 180.31 2b3w h GLU 90 N 0.45 1.07 -0.00 2.65 4.22 -1.81 0.27 114.58 121.43 2b3w h GLU 90 Ca 0.13 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.51 2b3w h GLU 90 Cb -0.02 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 28.99 2b3w h GLU 90 CO -0.03 0.71 -0.28 -1.13 -2.18 0.00 0.00 179.01 176.09 2b3w n SER 91 N -4.55 0.30 -0.02 1.04 3.41 -0.61 -3.81 113.62 109.39 2b3w n SER 91 Ca 0.14 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 2b3w n SER 91 Cb 0.18 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 2b3w n SER 91 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2b3w n VAL 92 N -1.47 0.00 -0.24 -3.33 0.24 -0.81 -4.75 118.33 107.97 2b3w n VAL 92 Ca 0.06 -0.49 0.03 0.00 -2.04 0.00 0.00 64.34 61.90 2b3w n VAL 92 Cb 0.34 1.01 0.15 0.00 -1.47 0.00 0.00 33.84 33.87 2b3w n VAL 92 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2b3w h LYS 93 N 0.10 0.50 0.00 7.34 2.10 -0.59 -0.21 116.57 125.80 2b3w h LYS 93 Ca 0.00 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.61 2b3w h LYS 93 Cb 0.03 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 31.25 2b3w h LYS 93 CO 0.00 0.33 -0.36 1.05 -2.00 0.00 0.00 179.45 178.47 2b3w h GLU 94 N 0.51 0.00 -0.02 0.07 4.11 -1.85 -2.65 114.58 114.75 2b3w h GLU 94 Ca 0.37 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.63 2b3w h GLU 94 Cb 0.48 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.74 2b3w h GLU 94 CO -0.33 0.03 -0.64 0.37 0.07 0.00 0.00 179.01 178.51 2b3w h GLN 95 N 0.00 0.47 -0.61 1.06 4.15 -1.52 -1.07 115.11 117.59 2b3w h GLN 95 Ca -0.00 -0.48 -0.05 0.00 0.77 0.00 0.00 58.65 58.89 2b3w h GLN 95 Cb 1.03 0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.82 2b3w h GLN 95 CO 0.00 1.12 0.19 0.28 -1.93 0.00 0.00 178.83 178.50 2b3w h VAL 96 N 0.00 1.24 -0.33 2.39 2.07 -1.13 -0.72 116.25 119.78 2b3w h VAL 96 Ca -0.07 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.63 2b3w h VAL 96 Cb 1.33 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 2b3w h VAL 96 CO 0.13 0.32 0.17 -0.03 0.02 0.00 0.00 177.57 178.17 2b3w h MET 97 N 0.87 0.33 -0.66 1.57 1.85 -1.49 -0.21 114.93 117.19 2b3w h MET 97 Ca 0.20 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.25 2b3w h MET 97 Cb 0.30 -0.08 -0.03 0.00 0.43 0.00 0.00 31.60 32.22 2b3w h MET 97 CO -0.01 0.22 0.37 -0.09 -0.40 0.00 0.00 176.91 177.00 2b3w h ARG 98 N 0.34 0.92 -0.30 0.39 2.43 -0.84 0.17 114.38 117.50 2b3w h ARG 98 Ca 0.14 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2b3w h ARG 98 Cb 0.05 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 2b3w h ARG 98 CO -0.09 0.69 0.02 -0.22 -1.51 0.00 0.00 179.97 178.85 2b3w h LYS 99 N 0.90 0.51 -0.53 0.20 3.64 -0.91 -1.26 116.57 119.13 2b3w h LYS 99 Ca 0.23 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 2b3w h LYS 99 Cb 0.03 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 2b3w h LYS 99 CO -0.04 0.64 0.06 0.00 -2.27 0.00 0.00 179.45 177.84 2b3w h ALA 100 N 0.85 0.70 -0.20 5.00 0.00 -0.78 -2.37 119.26 122.47 2b3w h ALA 100 Ca 0.09 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2b3w h ALA 100 Cb 0.40 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2b3w h ALA 100 CO 0.01 0.47 0.07 -0.07 0.00 0.00 0.00 179.25 179.74 2b3w h LEU 101 N 0.77 0.09 -0.92 0.00 3.38 -0.59 -2.38 115.31 115.66 2b3w h LEU 101 Ca 0.16 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.17 2b3w h LEU 101 Cb 0.45 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 2b3w h LEU 101 CO 0.02 0.08 0.60 -0.09 0.09 0.00 0.00 178.44 179.14 2b3w h ARG 102 N 0.17 1.15 -0.67 1.13 2.43 -1.07 -1.63 114.38 115.89 2b3w h ARG 102 Ca 0.08 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2b3w h ARG 102 Cb 0.04 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.30 2b3w h ARG 102 CO -0.08 0.76 0.37 0.00 -1.51 0.00 0.00 179.97 179.51 2b3w h ALA 103 N 1.37 1.39 -0.47 2.80 0.00 -1.12 0.32 119.26 123.55 2b3w h ALA 103 Ca 0.36 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2b3w h ALA 103 Cb -0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2b3w h ALA 103 CO -0.11 0.50 0.04 -0.22 0.00 0.00 0.00 179.25 179.46 2b3w h LYS 104 N 0.93 0.81 0.00 0.00 3.64 -0.80 -0.21 116.57 120.94 2b3w h LYS 104 Ca 0.24 -0.24 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 2b3w h LYS 104 Cb 0.02 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2b3w h LYS 104 CO -0.04 0.84 -0.63 0.74 -2.27 0.00 0.00 179.45 178.09 2b3w h PHE 105 N 0.67 0.00 0.10 1.91 0.04 -1.02 -2.60 116.94 116.04 2b3w h PHE 105 Ca 0.14 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.65 2b3w h PHE 105 Cb 0.45 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.62 2b3w h PHE 105 CO 0.03 0.41 -1.09 0.93 -0.60 0.00 0.00 178.31 177.99 2b3w h GLU 106 N 0.00 0.56 0.00 1.51 5.08 -0.27 -3.31 114.58 118.15 2b3w h GLU 106 Ca -0.03 -0.74 0.00 0.00 -1.00 0.00 0.00 59.36 57.59 2b3w h GLU 106 Cb 1.34 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.83 2b3w h GLU 106 CO 0.05 1.32 -0.18 1.04 -1.00 0.00 0.00 179.01 180.24 2b3w n GLN 107 N -3.90 0.06 -3.83 2.33 3.00 -0.10 -4.46 117.38 110.47 2b3w n GLN 107 Ca -0.13 0.04 -0.30 0.00 -0.01 0.00 0.00 57.00 56.60 2b3w n GLN 107 Cb 0.92 -1.56 -0.15 0.00 0.00 0.00 0.00 30.24 29.44 2b3w n GLN 107 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 2b3w s HIS 108 N -3.03 2.00 0.38 1.08 3.76 -0.98 -5.01 115.29 113.50 2b3w s HIS 108 Ca 0.12 -1.70 0.12 0.00 -0.15 0.00 0.00 55.06 53.46 2b3w s HIS 108 Cb 0.17 -1.66 0.77 0.00 1.11 0.00 0.00 32.58 32.97 2b3w s HIS 108 CO 0.60 -0.80 1.86 0.00 -0.85 0.00 0.00 174.74 175.55 2b3w h ALA 109 N 8.03 1.44 -0.17 -1.40 0.00 -1.78 -1.98 119.26 123.39 2b3w h ALA 109 Ca -0.14 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 2b3w h ALA 109 Cb 1.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2b3w h ALA 109 CO 0.43 0.41 -0.42 1.05 0.00 0.00 0.00 179.25 180.72 2b3w h GLU 110 N 0.03 0.40 -0.15 0.00 9.09 -1.95 -1.20 114.58 120.81 2b3w h GLU 110 Ca 0.00 -0.21 -0.20 0.00 0.05 0.00 0.00 59.36 59.00 2b3w h GLU 110 Cb 0.58 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.68 2b3w h GLU 110 CO 0.04 0.76 -0.72 -0.07 0.05 0.00 0.00 179.01 179.07 2b3w h LEU 111 N 0.33 0.79 -0.37 3.06 3.38 -1.76 -2.32 115.31 118.42 2b3w h LEU 111 Ca 0.03 -0.50 0.01 0.00 0.09 0.00 0.00 57.88 57.51 2b3w h LEU 111 Cb 0.89 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2b3w h LEU 111 CO 0.07 1.27 0.24 -0.09 0.09 0.00 0.00 178.44 180.03 2b3w h ARG 112 N 0.47 0.48 -0.79 1.13 2.43 -1.08 -0.22 114.38 116.81 2b3w h ARG 112 Ca -0.03 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 2b3w h ARG 112 Cb 1.32 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.73 2b3w h ARG 112 CO 0.14 0.32 0.41 0.00 -1.51 0.00 0.00 179.97 179.32 2b3w h ALA 113 N 1.14 1.01 -0.01 2.80 0.00 -1.20 -0.32 119.26 122.69 2b3w h ALA 113 Ca 0.14 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2b3w h ALA 113 Cb -0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2b3w h ALA 113 CO -0.04 0.55 -0.07 1.25 0.00 0.00 0.00 179.25 180.94 2b3w h LEU 114 N 1.10 -0.19 0.06 0.00 5.85 -0.95 -1.31 115.31 119.87 2b3w h LEU 114 Ca 0.27 0.03 0.01 0.00 0.84 0.00 0.00 57.88 59.03 2b3w h LEU 114 Cb 0.07 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2b3w h LEU 114 CO -0.04 -0.10 -0.08 0.25 -0.34 0.00 0.00 178.44 178.13 2b3w h LEU 115 N -0.11 -0.21 -1.59 2.25 5.85 -0.68 -2.78 115.31 118.04 2b3w h LEU 115 Ca 0.03 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 2b3w h LEU 115 Cb 0.15 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 2b3w h LEU 115 CO -0.08 -0.12 -0.10 -0.07 -0.34 0.00 0.00 178.44 177.73 2b3w h LEU 116 N -0.17 0.00 -0.05 2.25 3.38 -0.97 -2.21 115.31 117.55 2b3w h LEU 116 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2b3w h LEU 116 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2b3w h LEU 116 CO -0.04 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.59 2b3w n ALA 117 N -2.17 2.20 0.07 1.53 0.00 -0.50 -3.13 120.51 118.50 2b3w n ALA 117 Ca -0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 53.44 53.33 2b3w n ALA 117 Cb 0.31 -1.44 -0.09 0.00 0.00 0.00 0.00 19.45 18.22 2b3w n ALA 117 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2b3w h THR 118 N 0.00 1.52 -2.26 0.00 1.35 -1.36 -3.44 112.91 108.71 2b3w h THR 118 Ca 0.00 -3.17 -0.62 0.00 -0.55 0.00 0.00 66.41 62.07 2b3w h THR 118 Cb 0.54 2.75 0.08 0.00 -1.73 0.00 0.00 68.15 69.80 2b3w h THR 118 CO 0.00 0.87 0.38 0.00 -0.25 0.00 0.00 175.52 176.51 2b3w n ALA 119 N -2.34 -0.05 -1.15 6.62 0.00 -1.18 0.32 120.51 122.73 2b3w n ALA 119 Ca -0.00 0.44 -0.15 0.00 0.00 0.00 0.00 53.44 53.73 2b3w n ALA 119 Cb 0.91 -2.11 0.24 0.00 0.00 0.00 0.00 19.45 18.49 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 1.73 2.98 -1.60 0.00 -0.04 -1.26 -4.83 135.00 131.98 2b3w n PRO 120 Ca 0.13 -3.06 -0.37 0.00 -0.04 0.00 0.00 63.50 60.17 2b3w n PRO 120 Cb 0.28 -2.19 0.07 0.00 -0.04 0.00 0.00 33.50 31.62 2b3w n PRO 120 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2b3w n ALA 121 N -0.66 0.68 -2.61 0.55 0.00 0.15 -4.94 120.51 113.68 2b3w n ALA 121 Ca 0.50 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 53.47 2b3w n ALA 121 Cb 1.53 -2.25 -0.05 0.00 0.00 0.00 0.00 19.45 18.67 2b3w n ALA 121 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2b3w s LYS 122 N -3.33 3.99 -0.12 0.00 2.20 -0.95 -4.92 119.74 116.61 2b3w s LYS 122 Ca 0.80 0.57 -0.22 0.00 -0.36 0.00 0.00 55.97 56.76 2b3w s LYS 122 Cb -0.37 -3.71 -0.03 0.00 -1.51 0.00 0.00 37.83 32.20 2b3w s LYS 122 CO 0.44 -0.62 0.65 -0.51 -0.36 0.00 0.00 175.35 174.94 2b3w s LEU 123 N 2.85 4.24 -0.09 5.43 1.43 -1.26 -1.26 118.68 130.03 2b3w s LEU 123 Ca 0.31 1.02 -0.03 0.00 -1.03 0.00 0.00 54.13 54.39 2b3w s LEU 123 Cb -0.14 -2.97 0.05 0.00 0.03 0.00 0.00 46.19 43.15 2b3w s LEU 123 CO 0.12 -0.17 0.15 0.54 0.23 0.00 0.00 176.35 177.21 2b3w s VAL 124 N 1.24 -0.24 -0.09 -1.59 0.11 -0.64 -4.45 120.40 114.74 2b3w s VAL 124 Ca 0.33 0.33 -0.18 0.00 -2.93 0.00 0.00 61.98 59.53 2b3w s VAL 124 Cb -0.17 -0.30 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 2b3w s VAL 124 CO 0.14 0.12 0.49 -0.70 -3.33 0.00 0.00 175.10 171.82 2b3w s GLU 125 N 2.27 4.30 -1.20 1.54 2.12 -1.26 -1.56 118.70 124.91 2b3w s GLU 125 Ca 0.04 0.48 -0.11 0.00 0.36 0.00 0.00 54.97 55.74 2b3w s GLU 125 Cb -0.12 -3.41 0.20 0.00 0.26 0.00 0.00 34.13 31.06 2b3w s GLU 125 CO -0.06 0.23 1.49 1.58 -0.54 0.00 0.00 175.26 177.96 2b3w n HIS 126 N 3.39 4.39 -2.55 5.30 -0.00 -0.63 -1.32 115.22 123.79 2b3w n HIS 126 Ca -0.08 -3.27 -0.41 0.00 -0.00 0.00 0.00 57.72 53.96 2b3w n HIS 126 Cb 0.52 -1.99 -0.02 0.00 -0.00 0.00 0.00 29.99 28.49 2b3w n HIS 126 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2b3w s THR 127 N 0.53 3.98 -0.62 3.57 2.01 -1.26 -4.71 115.64 119.15 2b3w s THR 127 Ca 0.39 -1.19 0.24 0.00 0.31 0.00 0.00 61.69 61.45 2b3w s THR 127 Cb -0.01 -5.09 0.12 0.00 0.01 0.00 0.00 72.50 67.53 2b3w s THR 127 CO -0.00 -1.95 1.43 -0.08 -0.69 0.00 0.00 174.62 173.33 2b3w h GLU 128 N 8.98 0.00 0.00 4.92 4.81 -1.91 -1.39 114.58 129.99 2b3w h GLU 128 Ca 0.29 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.40 2b3w h GLU 128 Cb 0.96 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 2b3w h GLU 128 CO 1.44 0.00 -0.79 -0.97 -0.73 0.00 0.00 179.01 177.95 2b3w h ASN 129 N 0.00 0.00 -3.18 1.04 -0.73 -1.88 -3.42 115.58 107.41 2b3w h ASN 129 Ca 0.00 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.06 2b3w h ASN 129 Cb 0.78 0.00 -0.26 0.00 0.27 0.00 0.00 38.32 39.11 2b3w h ASN 129 CO 0.00 0.54 -0.28 -0.62 -0.37 0.00 0.00 177.43 176.70 2b3w s ASP 130 N -6.27 -0.53 -0.95 1.15 2.15 -1.23 -5.10 116.67 105.89 2b3w s ASP 130 Ca 0.02 0.93 -0.12 0.00 0.43 0.00 0.00 52.55 53.81 2b3w s ASP 130 Cb 0.08 0.83 0.25 0.00 -0.30 0.00 0.00 42.92 43.77 2b3w s ASP 130 CO 0.77 -0.20 0.92 0.00 -0.17 0.00 0.00 175.17 176.49 2b3w s ALA 131 N 1.46 4.38 0.00 3.66 0.00 -1.26 -4.22 121.76 125.78 2b3w s ALA 131 Ca -0.09 -3.56 0.00 0.00 0.00 0.00 0.00 51.96 48.31 2b3w s ALA 131 Cb -0.08 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2b3w s ALA 131 CO -0.13 -2.25 0.00 0.98 0.00 0.00 0.00 175.76 174.36 2b3w n TYR 132 N 3.41 0.00 -1.71 0.00 9.36 -0.16 -4.73 117.16 123.32 2b3w n TYR 132 Ca 0.18 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.45 2b3w n TYR 132 Cb 0.44 0.00 0.07 0.00 -0.63 0.00 0.00 39.34 39.21 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 -0.34 0.00 0.00 2.98 5.03 -0.83 -4.58 117.44 119.70 2b3w n TRP 133 Ca 0.00 -0.52 0.00 0.00 3.03 0.00 0.00 57.50 60.01 2b3w n TRP 133 Cb 0.00 -0.11 0.00 0.00 -1.03 0.00 0.00 31.31 30.17 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 -0.53 2.22 0.14 6.99 0.00 -0.09 -4.29 105.19 109.63 2b3w n GLY 134 Ca 0.08 0.07 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 2b3w n GLY 134 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2b3w h ASP 135 N 0.00 0.41 0.00 1.61 1.82 -1.40 -0.81 116.42 118.05 2b3w h ASP 135 Ca 0.00 -0.33 0.00 0.00 -0.39 0.00 0.00 57.03 56.31 2b3w h ASP 135 Cb 0.00 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 39.88 2b3w h ASP 135 CO 0.00 1.14 0.00 0.61 -1.61 0.00 0.00 179.24 179.38 2b3w n GLY 136 N 0.93 1.45 1.51 -0.78 0.00 -0.53 -1.12 105.19 106.66 2b3w n GLY 136 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.00 0.63 0.49 -0.02 0.00 -1.16 -4.44 105.19 98.69 2b3w n GLY 137 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.75 0.00 0.00 1.61 1.44 -1.20 -5.03 115.22 109.29 2b3w n HIS 138 Ca 0.00 -0.11 0.00 0.00 -2.01 0.00 0.00 57.72 55.60 2b3w n HIS 138 Cb 0.00 0.28 0.00 0.00 0.12 0.00 0.00 29.99 30.39 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 2.06 2.49 -1.39 0.00 -0.27 -4.82 105.19 103.26 2b3w n GLY 139 Ca -0.06 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 2b3w n GLY 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2b3w n LYS 140 N 0.00 3.87 -0.08 1.61 5.02 -1.20 -4.25 118.16 123.13 2b3w n LYS 140 Ca 0.00 -2.83 0.04 0.00 -2.02 0.00 0.00 58.31 53.50 2b3w n LYS 140 Cb 0.00 -2.83 0.06 0.00 -0.02 0.00 0.00 35.03 32.24 2b3w n LYS 140 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2b3w n GLY 141 N 2.94 3.11 2.80 0.72 0.00 -0.74 -4.78 105.19 109.25 2b3w n GLY 141 Ca 0.65 -0.50 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.82 -1.24 0.00 1.61 4.01 -1.00 -0.91 118.16 119.80 2b3w n LYS 142 Ca 0.07 1.42 0.04 0.00 -0.51 0.00 0.00 58.31 59.33 2b3w n LYS 142 Cb 0.48 -5.12 0.24 0.00 -0.51 0.00 0.00 35.03 30.13 2b3w n LYS 142 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2b3w n ASN 143 N -1.48 0.00 0.22 4.39 5.15 -0.34 -1.55 115.26 121.65 2b3w n ASN 143 Ca 0.01 -0.94 0.15 0.00 -0.60 0.00 0.00 54.58 53.21 2b3w n ASN 143 Cb 0.49 0.00 0.63 0.00 -0.53 0.00 0.00 39.78 40.37 2b3w n ASN 143 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 2b3w h ARG 144 N 0.00 0.00 -0.48 1.20 -0.00 -1.85 0.19 114.38 113.45 2b3w h ARG 144 Ca 0.00 0.00 0.02 0.00 -0.50 0.00 0.00 59.98 59.50 2b3w h ARG 144 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 29.94 2b3w h ARG 144 CO 0.00 0.00 0.29 1.25 0.00 0.00 0.00 179.97 181.51 2b3w h LEU 145 N 0.00 0.49 -1.58 3.04 5.85 -1.75 0.14 115.31 121.50 2b3w h LEU 145 Ca 0.10 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 2b3w h LEU 145 Cb 1.20 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2b3w h LEU 145 CO -0.00 0.35 -0.14 1.23 -0.34 0.00 0.00 178.44 179.54 2b3w h GLY 146 N 0.59 0.11 1.41 3.75 0.00 -0.83 -0.88 103.07 107.22 2b3w h GLY 146 Ca 0.18 -0.06 -0.17 0.00 0.00 0.00 0.00 47.33 47.28 2b3w h GLY 146 CO -0.07 0.06 -0.60 -1.82 0.00 0.00 0.00 176.54 174.11 2b3w h TYR 147 N 0.10 0.77 -0.59 5.60 3.20 -1.28 -0.91 116.97 123.85 2b3w h TYR 147 Ca 0.02 -0.29 -0.03 0.00 3.14 0.00 0.00 58.73 61.57 2b3w h TYR 147 Cb 0.31 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 2b3w h TYR 147 CO 0.00 1.05 0.26 -0.07 -1.64 0.00 0.00 178.16 177.77 2b3w h LEU 148 N 0.45 0.77 -0.83 2.82 3.38 -0.01 0.16 115.31 122.05 2b3w h LEU 148 Ca -0.00 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 2b3w h LEU 148 Cb 1.16 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 2b3w h LEU 148 CO 0.12 0.67 0.15 -0.07 0.09 0.00 0.00 178.44 179.40 2b3w h LEU 149 N 0.84 0.96 -0.26 1.67 3.38 -0.85 0.01 115.31 121.06 2b3w h LEU 149 Ca 0.21 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2b3w h LEU 149 Cb 0.12 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2b3w h LEU 149 CO -0.02 0.93 0.08 0.24 0.09 0.00 0.00 178.44 179.76 2b3w h MET 150 N 0.97 0.41 -0.08 1.13 2.86 -0.05 0.30 114.93 120.47 2b3w h MET 150 Ca 0.21 -0.09 0.03 0.00 -2.06 0.00 0.00 59.70 57.79 2b3w h MET 150 Cb 0.35 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 2b3w h MET 150 CO 0.00 0.48 -0.09 1.49 1.06 0.00 0.00 176.91 179.85 2b3w h GLU 151 N 0.26 -0.12 -0.12 1.72 4.57 -0.53 0.14 114.58 120.50 2b3w h GLU 151 Ca 0.08 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2b3w h GLU 151 Cb 0.24 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 2b3w h GLU 151 CO -0.00 -0.08 0.05 1.25 -1.18 0.00 0.00 179.01 179.04 2b3w h LEU 152 N -0.12 0.17 -0.92 1.64 5.85 -0.88 -2.31 115.31 118.74 2b3w h LEU 152 Ca 0.06 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.68 2b3w h LEU 152 Cb 0.21 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 2b3w h LEU 152 CO -0.16 0.31 0.58 -0.09 -0.34 0.00 0.00 178.44 178.74 2b3w h ARG 153 N 0.03 1.00 0.24 1.25 2.43 -0.22 -0.66 114.38 118.45 2b3w h ARG 153 Ca 0.04 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2b3w h ARG 153 Cb 0.19 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2b3w h ARG 153 CO -0.00 0.66 -0.12 1.49 -1.51 0.00 0.00 179.97 180.49 2b3w h GLU 154 N 1.03 -0.31 -0.37 0.20 4.57 -0.50 -0.41 114.58 118.79 2b3w h GLU 154 Ca 0.41 0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.54 2b3w h GLU 154 Cb 0.22 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 2b3w h GLU 154 CO -0.19 -0.16 -0.07 1.96 -1.18 0.00 0.00 179.01 179.38 2b3w h GLN 155 N -0.39 0.61 -0.11 1.92 1.08 -0.99 0.68 115.11 117.91 2b3w h GLN 155 Ca -0.03 -0.17 -0.17 0.00 -1.45 0.00 0.00 58.65 56.83 2b3w h GLN 155 Cb 0.30 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2b3w h GLN 155 CO 0.05 0.69 -0.65 -0.07 -0.95 0.00 0.00 178.83 177.90 2b3w h LEU 156 N 0.57 0.49 -0.10 1.46 3.38 -1.02 -0.71 115.31 119.37 2b3w h LEU 156 Ca 0.11 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 2b3w h LEU 156 Cb 0.47 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2b3w h LEU 156 CO 0.02 1.01 -0.05 0.00 0.09 0.00 0.00 178.44 179.51 2b3w h ALA 157 N 0.99 0.14 -0.69 1.53 0.00 -0.49 -1.90 119.26 118.85 2b3w h ALA 157 Ca -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2b3w h ALA 157 Cb 1.20 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 2b3w h ALA 157 CO 0.11 -0.08 0.32 0.82 0.00 0.00 0.00 179.25 180.42 2b3w h ILE 158 N -0.15 1.22 -0.14 0.00 2.04 -0.86 -0.60 117.51 119.02 2b3w h ILE 158 Ca 0.02 -0.65 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 2b3w h ILE 158 Cb 0.51 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2b3w h ILE 158 CO 0.02 0.27 -0.08 -0.08 0.00 0.00 0.00 178.15 178.28 2b3w h GLU 159 N 0.98 0.22 0.00 2.37 4.81 -1.06 0.36 114.58 122.25 2b3w h GLU 159 Ca 0.24 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2b3w h GLU 159 Cb 0.12 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2b3w h GLU 159 CO -0.03 0.31 -0.17 1.17 -0.73 0.00 0.00 179.01 179.56 2b3w n LYS 160 N -4.33 0.13 -0.08 1.92 4.81 -0.44 -3.54 118.16 116.63 2b3w n LYS 160 Ca -0.01 0.08 -0.15 0.00 -0.87 0.00 0.00 58.31 57.37 2b3w n LYS 160 Cb 0.22 -1.63 -0.14 0.00 0.02 0.00 0.00 35.03 33.51 2b3w n LYS 160 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2b3w n LEU 161 N -1.84 1.73 -0.19 3.14 4.32 -0.36 -4.40 117.00 119.40 2b3w n LEU 161 Ca 0.06 0.06 0.01 0.00 -0.02 0.00 0.00 56.01 56.11 2b3w n LEU 161 Cb 0.38 -0.38 0.26 0.00 -1.62 0.00 0.00 43.42 42.07 2b3w n LEU 161 CO 0.31 0.71 1.21 -0.08 -1.22 0.00 0.00 177.39 178.32 2b3w h GLU 162 N 0.01 0.93 0.00 3.23 4.22 -0.41 -2.03 114.58 120.53 2b3w h GLU 162 Ca -0.49 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 58.88 2b3w h GLU 162 Cb 2.05 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 31.09 2b3w h GLU 162 CO 0.01 0.63 0.00 -2.39 -2.18 0.00 0.00 179.01 175.07 2b3w n HIS 163 N -4.42 0.00 0.15 0.92 1.44 -1.23 -2.69 115.22 109.39 2b3w n HIS 163 Ca 0.07 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.83 2b3w n HIS 163 Cb 0.05 0.00 0.50 0.00 0.12 0.00 0.00 29.99 30.65 2b3w n HIS 163 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2b3w h HIS 164 N 0.00 0.19 0.00 -1.40 -0.00 -1.61 -3.38 115.15 108.95 2b3w h HIS 164 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2b3w h HIS 164 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.35 2b3w h HIS 164 CO 0.00 0.21 -0.07 0.72 -0.00 0.00 0.00 177.93 178.79 2b3w n HIS 165 N -4.41 0.00 -2.56 5.26 8.25 -1.13 -4.96 115.22 115.67 2b3w n HIS 165 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 2b3w n HIS 165 Cb 0.16 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.20 2b3w n HIS 165 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2b3w s HIS 166 N -1.57 2.33 0.00 4.41 5.04 -1.10 -3.75 115.29 120.65 2b3w s HIS 166 Ca -0.02 -0.20 0.00 0.00 -1.54 0.00 0.00 55.06 53.30 2b3w s HIS 166 Cb 0.00 -4.64 0.00 0.00 0.04 0.00 0.00 32.58 27.99 2b3w s HIS 166 CO 0.03 -2.05 0.00 1.58 -2.34 0.00 0.00 174.74 171.96 2b3w n HIS 167 N 9.26 0.00 1.13 3.88 -0.00 -1.26 -3.88 115.22 124.35 2b3w n HIS 167 Ca 0.08 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.39 2b3w n HIS 167 Cb 0.49 0.00 0.21 0.00 -0.12 0.00 0.00 29.99 30.57 2b3w n HIS 167 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38