#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 3.43 -0.11 0.03 0.02 -1.26 -4.96 135.00 132.16 2b3w s PRO 2 Ca 0.00 0.77 -0.32 0.00 0.02 0.00 0.00 61.00 61.47 2b3w s PRO 2 Cb 0.00 -4.08 -0.10 0.00 0.02 0.00 0.00 34.50 30.34 2b3w s PRO 2 CO 0.00 -1.75 1.99 0.28 -0.33 0.00 0.00 177.00 177.18 2b3w n VAL 3 N 7.03 0.55 -3.84 3.83 0.31 -1.26 -4.94 118.33 120.01 2b3w n VAL 3 Ca 0.15 -0.18 -0.34 0.00 -0.01 0.00 0.00 64.34 63.96 2b3w n VAL 3 Cb 0.49 -2.06 -0.12 0.00 -0.91 0.00 0.00 33.84 31.23 2b3w n VAL 3 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2b3w s ARG 4 N 4.74 1.97 -0.78 5.55 0.52 -1.26 -5.03 118.95 124.67 2b3w s ARG 4 Ca 0.95 -2.05 -0.25 0.00 -0.52 0.00 0.00 55.73 53.85 2b3w s ARG 4 Cb -0.60 -3.49 -0.03 0.00 0.52 0.00 0.00 34.95 31.36 2b3w s ARG 4 CO 0.47 -1.06 1.85 0.00 0.02 0.00 0.00 175.30 176.58 2b3w s ALA 5 N 0.71 1.99 0.12 2.13 0.00 -1.26 -4.72 121.76 120.73 2b3w s ALA 5 Ca 0.11 -1.17 -0.31 0.00 0.00 0.00 0.00 51.96 50.59 2b3w s ALA 5 Cb -0.22 -4.43 -0.10 0.00 0.00 0.00 0.00 23.12 18.37 2b3w s ALA 5 CO -0.05 -4.28 1.86 -1.14 0.00 0.00 0.00 175.76 172.15 2b3w s GLN 6 N 6.85 4.13 -0.59 0.00 2.00 -1.26 -4.94 119.66 125.86 2b3w s GLN 6 Ca 0.66 2.62 -0.19 0.00 -2.00 0.00 0.00 55.36 56.45 2b3w s GLN 6 Cb -0.09 -3.66 0.11 0.00 0.80 0.00 0.00 33.01 30.16 2b3w s GLN 6 CO 0.09 -0.87 0.69 1.03 -0.50 0.00 0.00 175.29 175.73 2b3w s ARG 7 N 2.96 3.04 -0.30 1.67 0.52 -1.26 -4.75 118.95 120.83 2b3w s ARG 7 Ca 0.82 -1.36 -0.29 0.00 -0.52 0.00 0.00 55.73 54.38 2b3w s ARG 7 Cb -0.46 -4.27 0.01 0.00 0.52 0.00 0.00 34.95 30.74 2b3w s ARG 7 CO 0.37 -1.53 1.20 0.42 0.02 0.00 0.00 175.30 175.78 2b3w s ILE 8 N 2.59 4.30 0.08 1.52 1.01 -1.26 -4.94 121.20 124.51 2b3w s ILE 8 Ca 0.11 1.49 -0.32 0.00 0.00 0.00 0.00 60.65 61.93 2b3w s ILE 8 Cb -0.25 -4.27 -0.17 0.00 0.01 0.00 0.00 42.46 37.78 2b3w s ILE 8 CO 0.06 -0.47 1.62 1.56 0.00 0.00 0.00 174.94 177.71 2b3w h GLN 9 N 8.71 -0.81 -2.47 2.79 7.50 -1.95 -3.45 115.11 125.44 2b3w h GLN 9 Ca -0.24 0.06 -0.08 0.00 0.50 0.00 0.00 58.65 58.89 2b3w h GLN 9 Cb 1.08 0.18 -0.24 0.00 0.05 0.00 0.00 27.48 28.55 2b3w h GLN 9 CO 1.03 -0.54 -0.18 -1.58 -1.50 0.00 0.00 178.83 176.06 2b3w s HIS 10 N -6.04 -0.69 0.75 2.96 2.46 -1.26 -5.16 115.29 108.31 2b3w s HIS 10 Ca -0.17 1.49 -0.12 0.00 0.47 0.00 0.00 55.06 56.74 2b3w s HIS 10 Cb 0.04 0.33 0.04 0.00 -0.13 0.00 0.00 32.58 32.86 2b3w s HIS 10 CO 0.62 -0.36 1.10 0.14 -2.47 0.00 0.00 174.74 173.78 2b3w s VAL 11 N 1.13 3.17 -0.68 0.89 -7.23 -1.26 -4.96 120.40 111.47 2b3w s VAL 11 Ca -0.07 0.38 -0.03 0.00 -1.81 0.00 0.00 61.98 60.45 2b3w s VAL 11 Cb -0.06 -3.28 0.21 0.00 0.56 0.00 0.00 36.38 33.81 2b3w s VAL 11 CO -0.11 -0.50 2.39 0.23 -0.31 0.00 0.00 175.10 176.80 2b3w n MET 12 N -3.21 2.68 0.00 4.82 0.00 -1.26 -4.94 117.12 115.21 2b3w n MET 12 Ca 0.07 -2.99 0.00 0.00 0.00 0.00 0.00 57.70 54.78 2b3w n MET 12 Cb 0.57 -2.22 0.00 0.00 0.00 0.00 0.00 33.22 31.57 2b3w n MET 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2b3w n GLN 13 N 0.19 0.00 -3.54 0.03 1.13 -1.26 -3.44 117.38 110.48 2b3w n GLN 13 Ca 0.52 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 55.26 2b3w n GLN 13 Cb 0.38 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.66 2b3w n GLN 13 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2b3w n ASP 14 N 5.51 4.02 -4.92 1.08 2.03 -1.26 -4.31 116.55 118.70 2b3w n ASP 14 Ca 0.00 -3.32 -0.28 0.00 0.52 0.00 0.00 54.79 51.71 2b3w n ASP 14 Cb 0.00 -0.85 -0.03 0.00 -0.72 0.00 0.00 41.12 39.52 2b3w n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2b3w s THR 15 N -2.03 5.11 -0.20 5.18 -1.32 -1.22 -4.88 115.64 116.28 2b3w s THR 15 Ca 0.32 -0.14 -0.04 0.00 -1.21 0.00 0.00 61.69 60.62 2b3w s THR 15 Cb 0.04 -3.74 -0.02 0.00 -1.51 0.00 0.00 72.50 67.28 2b3w s THR 15 CO -0.06 -0.26 -0.04 -0.63 -2.21 0.00 0.00 174.62 171.41 2b3w s ILE 16 N -1.99 3.52 -0.45 5.08 1.01 -1.26 0.13 121.20 127.23 2b3w s ILE 16 Ca 0.41 -0.46 -0.14 0.00 0.00 0.00 0.00 60.65 60.47 2b3w s ILE 16 Cb -0.11 -2.58 0.07 0.00 0.01 0.00 0.00 42.46 39.85 2b3w s ILE 16 CO 0.30 0.45 0.35 -0.63 0.00 0.00 0.00 174.94 175.40 2b3w s ILE 17 N 1.09 4.98 -0.23 2.92 1.01 0.09 -4.95 121.20 126.11 2b3w s ILE 17 Ca 0.01 -1.11 -0.14 0.00 0.00 0.00 0.00 60.65 59.41 2b3w s ILE 17 Cb -0.15 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 2b3w s ILE 17 CO -0.00 -0.53 0.31 0.20 0.00 0.00 0.00 174.94 174.92 2b3w s ASN 18 N 2.40 6.28 0.03 3.58 -0.87 -1.23 -2.41 114.94 122.73 2b3w s ASN 18 Ca 0.04 0.32 0.01 0.00 -1.57 0.00 0.00 52.86 51.66 2b3w s ASN 18 Cb -0.24 -2.18 -0.04 0.00 -0.02 0.00 0.00 41.25 38.77 2b3w s ASN 18 CO 0.06 -0.06 0.08 0.72 -2.57 0.00 0.00 177.10 175.34 2b3w s PHE 19 N 1.41 3.25 -0.19 2.20 -0.71 -1.25 -4.92 117.98 117.78 2b3w s PHE 19 Ca 0.14 0.15 0.00 0.00 -1.04 0.00 0.00 56.93 56.18 2b3w s PHE 19 Cb -0.15 -1.69 0.04 0.00 -1.21 0.00 0.00 43.02 40.02 2b3w s PHE 19 CO 0.07 0.54 -0.07 0.71 -1.34 0.00 0.00 175.22 175.13 2b3w s TYR 20 N -1.29 2.04 0.00 3.49 2.02 -1.26 -4.30 117.35 118.05 2b3w s TYR 20 Ca 0.26 -1.35 0.00 0.00 -0.37 0.00 0.00 57.07 55.61 2b3w s TYR 20 Cb -0.12 -1.46 0.00 0.00 -0.40 0.00 0.00 41.96 39.98 2b3w s TYR 20 CO 0.18 -0.68 0.00 0.45 -1.57 0.00 0.00 175.55 173.93 2b3w n SER 21 N 4.78 -0.04 -0.08 2.29 2.88 -1.26 -4.14 113.62 118.05 2b3w n SER 21 Ca -0.13 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.30 2b3w n SER 21 Cb 0.47 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.87 2b3w n SER 21 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2b3w h THR 22 N 0.00 0.39 0.00 2.46 1.35 -1.95 -3.42 112.91 111.73 2b3w h THR 22 Ca 0.00 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.38 2b3w h THR 22 Cb 0.00 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 67.35 2b3w h THR 22 CO 0.00 0.13 0.00 -1.20 -0.25 0.00 0.00 175.52 174.20 2b3w n SER 23 N -4.55 0.00 -4.06 5.36 7.64 -1.26 -3.84 113.62 112.91 2b3w n SER 23 Ca -0.17 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.44 2b3w n SER 23 Cb 0.42 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.55 2b3w n SER 23 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2b3w s ASP 24 N 0.00 2.98 0.35 6.43 -1.08 -1.26 -4.97 116.67 119.11 2b3w s ASP 24 Ca 0.00 -1.74 0.16 0.00 -0.52 0.00 0.00 52.55 50.45 2b3w s ASP 24 Cb 0.00 0.62 0.59 0.00 -1.46 0.00 0.00 42.92 42.67 2b3w s ASP 24 CO 0.00 -1.00 1.70 -0.78 0.52 0.00 0.00 175.17 175.62 2b3w h ASP 25 N 1.69 0.00 0.43 -0.34 3.58 -1.96 -0.66 116.42 119.17 2b3w h ASP 25 Ca -0.34 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.11 2b3w h ASP 25 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.33 2b3w h ASP 25 CO 0.55 0.44 0.00 0.00 -2.88 0.00 0.00 179.24 177.35 2b3w n TYR 26 N -3.64 0.00 1.98 0.28 9.36 -1.26 -3.05 117.16 120.84 2b3w n TYR 26 Ca -0.01 0.00 0.16 0.00 3.32 0.00 0.00 57.90 61.37 2b3w n TYR 26 Cb 0.53 -0.32 0.94 0.00 -0.63 0.00 0.00 39.34 39.86 2b3w n TYR 26 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2b3w n GLY 27 N 0.45 -0.99 0.35 2.98 0.00 -0.25 -4.13 105.19 103.59 2b3w n GLY 27 Ca 0.09 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.01 1.61 3.58 -1.70 0.19 116.42 120.08 2b3w h ASP 28 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2b3w h ASP 28 Cb 0.00 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 0.04 -0.26 -2.88 0.00 0.00 179.24 176.14 2b3w h PHE 29 N 0.00 0.00 -3.38 0.28 -1.00 -1.90 -3.40 116.94 107.53 2b3w h PHE 29 Ca 0.06 0.00 -0.55 0.00 2.81 0.00 0.00 57.97 60.29 2b3w h PHE 29 Cb 1.20 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.72 2b3w h PHE 29 CO 0.00 0.00 0.30 0.45 -1.61 0.00 0.00 178.31 177.45 2b3w s SER 30 N -5.41 7.24 0.00 2.17 0.15 0.65 -4.92 113.70 113.57 2b3w s SER 30 Ca -0.05 1.50 0.14 0.00 0.70 0.00 0.00 55.95 58.24 2b3w s SER 30 Cb 0.13 -2.52 0.85 0.00 -1.71 0.00 0.00 66.02 62.78 2b3w s SER 30 CO 0.45 -0.23 1.49 0.59 1.20 0.00 0.00 173.24 176.73 2b3w n ASN 31 N 3.97 0.00 -0.42 5.45 3.02 -1.26 -1.90 115.26 124.12 2b3w n ASN 31 Ca 0.04 -1.40 0.13 0.00 -0.03 0.00 0.00 54.58 53.32 2b3w n ASN 31 Cb 0.51 0.00 0.32 0.00 -0.61 0.00 0.00 39.78 40.00 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 -0.74 0.00 -2.21 3.10 7.35 -1.26 -3.68 117.46 120.02 2b3w n PHE 32 Ca 0.11 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.39 2b3w n PHE 32 Cb 0.05 -0.06 -0.03 0.00 0.35 0.00 0.00 39.48 39.79 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 -2.32 3.51 -1.60 3.13 0.00 -0.80 -4.89 121.76 118.80 2b3w s ALA 33 Ca 0.27 1.14 -0.10 0.00 0.00 0.00 0.00 51.96 53.27 2b3w s ALA 33 Cb 0.20 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.78 2b3w s ALA 33 CO 0.46 -0.53 2.87 0.00 0.00 0.00 0.00 175.76 178.56 2b3w n ALA 34 N 1.93 7.37 -2.89 0.00 0.00 -1.26 -4.68 120.51 120.99 2b3w n ALA 34 Ca 0.04 -3.60 -0.37 0.00 0.00 0.00 0.00 53.44 49.51 2b3w n ALA 34 Cb 0.43 -3.35 -0.12 0.00 0.00 0.00 0.00 19.45 16.41 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 2.03 3.14 0.06 0.00 0.52 -1.22 -4.95 118.94 118.52 2b3w s TRP 35 Ca 0.67 -0.21 -0.31 0.00 0.02 0.00 0.00 56.10 56.28 2b3w s TRP 35 Cb 0.18 -2.27 -0.08 0.00 -1.15 0.00 0.00 33.47 30.15 2b3w s TRP 35 CO -0.06 -0.25 1.69 -1.25 0.02 0.00 0.00 176.95 177.09 2b3w s PRO 36 N 1.55 4.19 0.21 4.98 0.04 -1.26 -4.17 135.00 140.54 2b3w s PRO 36 Ca 0.06 2.36 0.09 0.00 0.04 0.00 0.00 61.00 63.55 2b3w s PRO 36 Cb -0.15 -3.67 -0.04 0.00 0.04 0.00 0.00 34.50 30.67 2b3w s PRO 36 CO 0.06 -0.77 -0.05 0.96 0.04 0.00 0.00 177.00 177.24 2b3w s ILE 37 N 2.90 3.38 -0.50 0.56 -4.36 0.31 -4.91 121.20 118.59 2b3w s ILE 37 Ca 0.75 -1.70 -0.05 0.00 -0.26 0.00 0.00 60.65 59.40 2b3w s ILE 37 Cb -0.40 -2.72 0.13 0.00 1.25 0.00 0.00 42.46 40.72 2b3w s ILE 37 CO 0.33 -0.20 0.32 -0.75 0.24 0.00 0.00 174.94 174.88 2b3w s LYS 38 N -3.13 2.31 -0.16 0.37 2.47 -1.26 -0.20 119.74 120.13 2b3w s LYS 38 Ca 0.28 -2.02 0.01 0.00 -1.56 0.00 0.00 55.97 52.68 2b3w s LYS 38 Cb -0.08 -3.73 0.01 0.00 -1.46 0.00 0.00 37.83 32.57 2b3w s LYS 38 CO 0.17 -1.14 -0.19 0.08 0.16 0.00 0.00 175.35 174.44 2b3w s VAL 39 N 0.83 2.22 -1.68 4.02 1.01 0.10 -4.63 120.40 122.27 2b3w s VAL 39 Ca 0.10 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 2b3w s VAL 39 Cb -0.22 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.24 2b3w s VAL 39 CO -0.03 0.53 0.03 0.47 0.00 0.00 0.00 175.10 176.10 2b3w n ASP 40 N 4.32 -5.65 0.00 3.32 8.00 -1.26 -0.85 116.55 124.43 2b3w n ASP 40 Ca -0.20 -0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.30 2b3w n ASP 40 Cb 0.51 -4.71 0.00 0.00 -0.02 0.00 0.00 41.12 36.90 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 -1.01 0.51 3.20 0.44 0.00 -1.26 -5.04 105.19 102.03 2b3w n GLY 41 Ca -0.23 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.91 1.34 -0.34 1.61 1.02 -0.03 -5.11 119.74 117.32 2b3w s LYS 42 Ca 0.00 -0.79 -0.20 0.00 0.02 0.00 0.00 55.97 55.00 2b3w s LYS 42 Cb 0.00 -1.37 -0.00 0.00 -0.52 0.00 0.00 37.83 35.94 2b3w s LYS 42 CO 0.00 0.36 0.60 0.99 -0.92 0.00 0.00 175.35 176.38 2b3w s THR 43 N -0.66 4.94 -0.15 2.17 2.01 -1.26 0.03 115.64 122.72 2b3w s THR 43 Ca 0.06 0.61 -0.05 0.00 0.31 0.00 0.00 61.69 62.62 2b3w s THR 43 Cb -0.08 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 2b3w s THR 43 CO 0.01 -0.22 0.03 0.26 -0.69 0.00 0.00 174.62 174.01 2b3w s TRP 44 N 2.58 3.21 -0.87 4.92 0.52 0.72 -4.91 118.94 125.11 2b3w s TRP 44 Ca 0.23 0.07 0.19 0.00 0.02 0.00 0.00 56.10 56.60 2b3w s TRP 44 Cb -0.15 -1.97 0.79 0.00 -1.15 0.00 0.00 33.47 30.98 2b3w s TRP 44 CO 0.13 0.24 1.59 -2.30 0.02 0.00 0.00 176.95 176.64 2b3w n PRO 45 N 3.07 0.06 -3.58 4.98 -0.02 -1.26 -0.53 135.00 137.71 2b3w n PRO 45 Ca -0.17 0.26 -0.12 0.00 -2.02 0.00 0.00 63.50 61.44 2b3w n PRO 45 Cb 0.53 -1.60 -0.06 0.00 -0.02 0.00 0.00 33.50 32.35 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 -3.08 0.00 0.29 3.45 2.01 -1.26 -3.41 115.64 113.64 2b3w s THR 46 Ca 0.07 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.07 2b3w s THR 46 Cb 0.11 -1.00 0.28 0.00 0.01 0.00 0.00 72.50 71.89 2b3w s THR 46 CO 0.34 0.00 1.90 0.28 -0.69 0.00 0.00 174.62 176.46 2b3w h SER 47 N 3.31 0.97 0.07 3.53 0.02 -1.83 -1.82 113.55 117.79 2b3w h SER 47 Ca -0.24 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 2b3w h SER 47 Cb 1.16 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 2b3w h SER 47 CO 0.25 0.63 -0.05 -0.08 -1.14 0.00 0.00 176.83 176.44 2b3w h GLU 48 N 1.10 0.00 -0.38 3.45 4.81 -1.97 -0.59 114.58 121.00 2b3w h GLU 48 Ca 0.40 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.60 2b3w h GLU 48 Cb 0.16 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2b3w h GLU 48 CO -0.15 0.05 0.10 0.45 -0.73 0.00 0.00 179.01 178.73 2b3w h HIS 49 N 0.00 0.64 -0.07 0.92 3.86 -1.68 0.26 115.15 119.07 2b3w h HIS 49 Ca -0.00 -0.07 -0.21 0.00 -1.16 0.00 0.00 60.37 58.93 2b3w h HIS 49 Cb 0.10 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.39 2b3w h HIS 49 CO 0.00 0.61 -0.81 -0.92 0.86 0.00 0.00 177.93 177.67 2b3w h TYR 50 N 0.48 0.73 -0.29 2.45 3.20 -1.47 -1.94 116.97 120.12 2b3w h TYR 50 Ca 0.12 -0.34 -0.01 0.00 3.14 0.00 0.00 58.73 61.64 2b3w h TYR 50 Cb 0.29 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 2b3w h TYR 50 CO 0.01 1.14 0.16 0.35 -1.64 0.00 0.00 178.16 178.18 2b3w h PHE 51 N 0.34 0.40 -0.03 -3.82 3.57 -0.92 -0.92 116.94 115.56 2b3w h PHE 51 Ca -0.05 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.30 2b3w h PHE 51 Cb 1.42 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 40.02 2b3w h PHE 51 CO 0.06 0.33 -0.59 0.37 -2.23 0.00 0.00 178.31 176.26 2b3w h GLN 52 N 0.36 0.10 -0.25 1.11 5.75 -0.51 -1.22 115.11 120.44 2b3w h GLN 52 Ca 0.10 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.50 2b3w h GLN 52 Cb 0.06 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 2b3w h GLN 52 CO -0.02 0.66 0.01 0.00 -2.65 0.00 0.00 178.83 176.83 2b3w h ALA 53 N 1.32 0.34 0.00 3.38 0.00 -1.02 -2.76 119.26 120.53 2b3w h ALA 53 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2b3w h ALA 53 Cb 1.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2b3w h ALA 53 CO 0.08 0.06 0.00 1.96 0.00 0.00 0.00 179.25 181.35 2b3w h GLN 54 N 0.23 0.00 -0.35 0.00 1.08 -1.11 -3.11 115.11 111.85 2b3w h GLN 54 Ca 0.07 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.23 2b3w h GLN 54 Cb 0.40 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 2b3w h GLN 54 CO 0.01 0.00 0.05 -0.22 -0.95 0.00 0.00 178.83 177.72 2b3w h LYS 55 N 0.00 0.53 -6.25 1.46 3.64 -0.91 -3.44 116.57 111.59 2b3w h LYS 55 Ca 0.00 -0.10 -0.57 0.00 -1.27 0.00 0.00 60.65 58.71 2b3w h LYS 55 Cb 0.65 -0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.30 2b3w h LYS 55 CO 0.00 0.51 -0.60 -0.06 -2.27 0.00 0.00 179.45 177.03 2b3w s PHE 56 N -5.07 2.99 -1.01 1.91 0.08 -1.18 -3.08 117.98 112.64 2b3w s PHE 56 Ca -0.08 -0.09 0.14 0.00 0.12 0.00 0.00 56.93 57.02 2b3w s PHE 56 Cb 0.16 -1.42 0.43 0.00 -0.57 0.00 0.00 43.02 41.62 2b3w s PHE 56 CO 0.76 0.53 1.36 1.47 -0.10 0.00 0.00 175.22 179.24 2b3w n LEU 57 N -0.41 3.41 -4.61 -0.37 -0.00 -1.25 -4.90 117.00 108.87 2b3w n LEU 57 Ca -0.09 -2.18 -0.39 0.00 -0.00 0.00 0.00 56.01 53.35 2b3w n LEU 57 Cb 0.56 -0.35 -0.09 0.00 -0.00 0.00 0.00 43.42 43.53 2b3w n LEU 57 CO 0.41 0.77 0.05 -0.62 -0.00 0.00 0.00 177.39 178.01 2b3w s ASP 58 N -1.12 6.25 0.21 1.45 2.15 -1.26 -4.98 116.67 119.38 2b3w s ASP 58 Ca 0.33 0.28 -0.09 0.00 0.43 0.00 0.00 52.55 53.50 2b3w s ASP 58 Cb 0.19 -2.21 0.22 0.00 -0.30 0.00 0.00 42.92 40.83 2b3w s ASP 58 CO 0.18 -0.17 1.83 -0.33 -0.17 0.00 0.00 175.17 176.52 2b3w h GLU 59 N 8.13 0.76 0.53 4.34 3.07 -1.98 0.19 114.58 129.63 2b3w h GLU 59 Ca -0.32 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.47 2b3w h GLU 59 Cb 1.16 -0.17 0.01 0.00 -0.84 0.00 0.00 28.75 28.91 2b3w h GLU 59 CO 0.64 0.51 -0.26 -0.22 -1.40 0.00 0.00 179.01 178.28 2b3w h LYS 60 N 0.79 -0.69 -0.56 2.33 3.64 -1.98 -1.39 116.57 118.70 2b3w h LYS 60 Ca 0.29 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 2b3w h LYS 60 Cb 0.10 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 2b3w h LYS 60 CO -0.14 -0.39 0.33 -0.92 -2.27 0.00 0.00 179.45 176.06 2b3w h TYR 61 N -0.96 0.72 -0.43 1.91 3.20 -1.97 -0.23 116.97 119.22 2b3w h TYR 61 Ca -0.07 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.83 2b3w h TYR 61 Cb 0.62 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 2b3w h TYR 61 CO 0.00 0.49 0.24 -0.09 -1.64 0.00 0.00 178.16 177.15 2b3w h ARG 62 N 0.77 0.46 -0.00 1.82 1.12 -0.84 -2.26 114.38 115.45 2b3w h ARG 62 Ca 0.20 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.04 2b3w h ARG 62 Cb -0.03 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 29.83 2b3w h ARG 62 CO -0.04 0.31 -0.13 0.39 -3.11 0.00 0.00 179.97 177.39 2b3w n GLU 63 N -4.87 0.35 0.02 0.20 1.02 -0.52 -2.00 120.64 114.83 2b3w n GLU 63 Ca 0.02 -0.10 -0.18 0.00 -0.02 0.00 0.00 57.16 56.89 2b3w n GLU 63 Cb 0.08 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.93 2b3w n GLU 63 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2b3w h GLU 64 N 0.23 0.71 0.00 3.49 4.39 -0.54 -0.61 114.58 122.25 2b3w h GLU 64 Ca 0.00 -0.66 -0.07 0.00 0.34 0.00 0.00 59.36 58.97 2b3w h GLU 64 Cb 0.41 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2b3w h GLU 64 CO 0.00 1.26 -0.33 0.82 -1.16 0.00 0.00 179.01 179.60 2b3w h ILE 65 N 0.44 0.86 0.00 3.13 2.04 -1.16 -0.46 117.51 122.36 2b3w h ILE 65 Ca -0.09 -1.33 -0.13 0.00 1.00 0.00 0.00 64.86 64.32 2b3w h ILE 65 Cb 1.54 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 39.41 2b3w h ILE 65 CO 0.18 0.32 -0.60 -0.09 0.00 0.00 0.00 178.15 177.96 2b3w h ARG 66 N 0.00 0.00 0.19 2.37 9.65 -1.30 -3.30 114.38 121.99 2b3w h ARG 66 Ca -0.00 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.57 2b3w h ARG 66 Cb 0.78 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.38 2b3w h ARG 66 CO 0.04 0.60 -1.40 -0.09 2.80 0.00 0.00 179.97 181.92 2b3w h ARG 67 N 0.00 0.39 -6.21 0.20 2.43 -0.05 -3.44 114.38 107.70 2b3w h ARG 67 Ca -0.01 -0.67 -0.56 0.00 -0.81 0.00 0.00 59.98 57.93 2b3w h ARG 67 Cb 1.09 0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.87 2b3w h ARG 67 CO 0.08 1.31 0.98 0.54 -1.51 0.00 0.00 179.97 181.37 2b3w s VAL 68 N -2.62 3.95 0.06 0.20 0.11 -0.28 -4.89 120.40 116.91 2b3w s VAL 68 Ca -0.07 1.16 -0.07 0.00 -2.93 0.00 0.00 61.98 60.07 2b3w s VAL 68 Cb 0.06 -3.75 -0.30 0.00 -1.53 0.00 0.00 36.38 30.86 2b3w s VAL 68 CO 0.91 -0.10 1.08 -1.28 -3.33 0.00 0.00 175.10 172.38 2b3w h SER 69 N 8.74 0.52 -2.85 3.54 0.87 -1.88 -3.45 113.55 119.04 2b3w h SER 69 Ca -0.33 -0.57 -0.54 0.00 -1.23 0.00 0.00 61.79 59.12 2b3w h SER 69 Cb 1.14 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.93 2b3w h SER 69 CO 0.96 1.45 0.89 -0.44 -0.53 0.00 0.00 176.83 179.15 2b3w s SER 70 N -7.24 6.80 0.10 6.23 0.01 -1.26 -4.88 113.70 113.47 2b3w s SER 70 Ca -0.06 2.15 -0.17 0.00 1.31 0.00 0.00 55.95 59.18 2b3w s SER 70 Cb 0.06 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.68 2b3w s SER 70 CO 0.90 -0.77 1.56 1.55 0.41 0.00 0.00 173.24 176.89 2b3w h PRO 71 N 8.09 0.51 0.00 12.44 0.13 -1.94 -3.14 132.00 148.08 2b3w h PRO 71 Ca -0.38 -0.14 -0.02 0.00 -0.87 0.00 0.00 66.00 64.58 2b3w h PRO 71 Cb 1.18 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2b3w h PRO 71 CO 0.92 0.62 -0.11 1.98 -0.23 0.00 0.00 178.00 181.17 2b3w h MET 72 N 0.32 0.00 -0.14 0.86 4.05 -1.96 -0.87 114.93 117.19 2b3w h MET 72 Ca 0.09 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.33 2b3w h MET 72 Cb 0.37 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.17 2b3w h MET 72 CO 0.01 0.11 -0.66 0.28 0.23 0.00 0.00 176.91 176.88 2b3w h VAL 73 N 0.00 1.33 -0.39 -5.77 2.07 -1.96 0.44 116.25 111.98 2b3w h VAL 73 Ca -0.00 -1.96 -0.04 0.00 0.82 0.00 0.00 66.70 65.51 2b3w h VAL 73 Cb 0.27 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 2b3w h VAL 73 CO 0.01 0.61 0.07 0.00 0.02 0.00 0.00 177.57 178.28 2b3w h ALA 74 N 0.86 0.52 -0.22 1.67 0.00 -1.19 -1.72 119.26 119.18 2b3w h ALA 74 Ca -0.02 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.72 2b3w h ALA 74 Cb 1.24 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2b3w h ALA 74 CO 0.12 0.22 0.04 0.00 0.00 0.00 0.00 179.25 179.63 2b3w h ALA 75 N 0.93 0.23 0.12 0.00 0.00 -1.29 0.83 119.26 120.07 2b3w h ALA 75 Ca 0.12 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2b3w h ALA 75 Cb 0.35 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2b3w h ALA 75 CO 0.01 -0.38 -0.32 -0.09 0.00 0.00 0.00 179.25 178.47 2b3w h ARG 76 N 0.13 -0.47 -0.00 0.00 2.43 -0.55 0.52 114.38 116.45 2b3w h ARG 76 Ca 0.10 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2b3w h ARG 76 Cb 0.10 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2b3w h ARG 76 CO -0.14 -0.31 -0.02 0.00 -1.51 0.00 0.00 179.97 178.00 2b3w n MET 77 N -4.25 0.54 0.08 0.20 0.00 -0.68 -2.53 117.12 110.49 2b3w n MET 77 Ca -0.06 -0.04 0.01 0.00 0.00 0.00 0.00 57.70 57.62 2b3w n MET 77 Cb 0.25 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 31.94 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 4.99 0.00 -0.77 3.17 0.00 -0.22 -3.26 103.07 106.99 2b3w h GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2b3w h GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 2b3w n ARG 79 N -3.04 1.72 -0.26 4.80 5.12 0.12 -4.21 116.66 120.92 2b3w n ARG 79 Ca -0.04 -1.08 -0.04 0.00 -1.93 0.00 0.00 57.85 54.76 2b3w n ARG 79 Cb 0.78 -1.40 0.07 0.00 -1.16 0.00 0.00 32.46 30.75 2b3w n ARG 79 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 2b3w h ASP 80 N 2.23 0.81 0.00 0.55 1.82 -1.59 -3.45 116.42 116.77 2b3w h ASP 80 Ca 0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2b3w h ASP 80 Cb 0.49 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.30 2b3w h ASP 80 CO 0.00 0.57 0.00 -1.14 -1.61 0.00 0.00 179.24 177.06 2b3w n ARG 81 N -4.60 0.00 -0.53 0.28 0.63 -1.26 -4.73 116.66 106.45 2b3w n ARG 81 Ca 0.07 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.98 2b3w n ARG 81 Cb 0.04 -2.30 0.17 0.00 0.45 0.00 0.00 32.46 30.82 2b3w n ARG 81 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2b3w n SER 82 N 0.00 3.43 -4.76 6.15 7.64 -1.26 -4.85 113.62 119.98 2b3w n SER 82 Ca 0.00 -2.61 -0.22 0.00 1.01 0.00 0.00 58.87 57.05 2b3w n SER 82 Cb 0.00 -0.63 -0.06 0.00 -1.01 0.00 0.00 64.21 62.52 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 -1.84 2.56 -0.11 1.43 -0.14 -1.26 -5.06 119.74 115.33 2b3w s LYS 83 Ca 0.29 -1.34 -0.29 0.00 -1.36 0.00 0.00 55.97 53.27 2b3w s LYS 83 Cb 0.23 -2.33 -0.07 0.00 -1.68 0.00 0.00 37.83 33.98 2b3w s LYS 83 CO 0.07 0.25 2.10 -1.25 -0.76 0.00 0.00 175.35 175.76 2b3w s PRO 84 N -3.83 3.58 0.42 -1.68 0.04 -1.26 -4.96 135.00 127.30 2b3w s PRO 84 Ca 0.35 2.27 -0.12 0.00 0.04 0.00 0.00 61.00 63.54 2b3w s PRO 84 Cb -0.05 -4.28 -0.07 0.00 0.04 0.00 0.00 34.50 30.14 2b3w s PRO 84 CO 0.23 -1.60 0.81 -0.51 0.04 0.00 0.00 177.00 175.98 2b3w s LEU 85 N 6.59 3.81 0.29 -3.56 1.43 -1.26 -3.93 118.68 122.04 2b3w s LEU 85 Ca 0.95 1.23 -0.23 0.00 -1.03 0.00 0.00 54.13 55.05 2b3w s LEU 85 Cb -0.37 -4.12 -0.09 0.00 0.03 0.00 0.00 46.19 41.64 2b3w s LEU 85 CO 0.38 -0.42 0.85 -0.60 0.23 0.00 0.00 176.35 176.79 2b3w s ARG 86 N -3.81 4.43 -0.02 1.70 3.52 -1.18 -4.75 118.95 118.84 2b3w s ARG 86 Ca 0.53 1.13 -0.25 0.00 -0.13 0.00 0.00 55.73 57.01 2b3w s ARG 86 Cb -0.10 -2.80 -0.18 0.00 -1.56 0.00 0.00 34.95 30.31 2b3w s ARG 86 CO 0.30 0.31 1.20 -0.22 -0.81 0.00 0.00 175.30 176.07 2b3w h LYS 87 N 3.19 -0.14 -0.97 5.12 1.63 -1.97 -3.09 116.57 120.35 2b3w h LYS 87 Ca -0.47 0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 59.21 2b3w h LYS 87 Cb 1.19 0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 32.78 2b3w h LYS 87 CO 0.65 0.28 0.16 0.27 -3.45 0.00 0.00 179.45 177.37 2b3w n ASN 88 N -4.94 3.08 0.30 4.20 6.94 -1.26 -4.19 115.26 119.39 2b3w n ASN 88 Ca -0.09 -2.48 0.17 0.00 -0.02 0.00 0.00 54.58 52.16 2b3w n ASN 88 Cb 0.25 -0.60 0.93 0.00 -2.36 0.00 0.00 39.78 38.00 2b3w n ASN 88 CO 0.00 0.00 0.00 -0.25 -1.03 0.00 0.00 177.26 175.98 2b3w h TRP 89 N 0.57 0.00 0.00 -2.53 -0.00 -1.91 0.64 115.95 112.72 2b3w h TRP 89 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.05 2b3w h TRP 89 Cb 1.47 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.63 2b3w h TRP 89 CO 0.49 0.04 0.00 0.93 -0.00 0.00 0.00 178.44 179.89 2b3w h GLU 90 N 0.00 0.00 0.00 2.65 4.39 -1.86 -3.19 114.58 116.57 2b3w h GLU 90 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2b3w h GLU 90 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2b3w h GLU 90 CO 0.00 0.00 -1.89 0.43 -1.16 0.00 0.00 179.01 176.39 2b3w n SER 91 N -2.88 0.10 -0.47 1.42 7.64 0.17 -4.59 113.62 115.02 2b3w n SER 91 Ca 0.03 -0.08 0.05 0.00 1.01 0.00 0.00 58.87 59.88 2b3w n SER 91 Cb 0.42 1.88 0.07 0.00 -1.01 0.00 0.00 64.21 65.57 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 -2.20 0.21 0.53 0.44 0.24 -0.88 -4.35 118.33 112.32 2b3w n VAL 92 Ca -0.03 -0.61 -0.21 0.00 -2.04 0.00 0.00 64.34 61.45 2b3w n VAL 92 Cb 0.55 1.07 -0.10 0.00 -1.47 0.00 0.00 33.84 33.89 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 2.07 -1.30 0.00 7.34 1.57 -1.80 0.14 116.57 124.59 2b3w h LYS 93 Ca 0.00 0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2b3w h LYS 93 Cb 0.51 0.30 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2b3w h LYS 93 CO 0.00 -0.87 0.00 1.05 -0.57 0.00 0.00 179.45 179.06 2b3w h GLU 94 N -1.36 0.00 0.02 3.15 9.09 -1.91 -2.34 114.58 121.23 2b3w h GLU 94 Ca -0.14 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.22 2b3w h GLU 94 Cb 1.04 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.14 2b3w h GLU 94 CO 0.23 0.00 -0.21 0.37 0.05 0.00 0.00 179.01 179.44 2b3w h GLN 95 N 0.00 0.11 -0.65 1.06 4.15 -1.72 -1.06 115.11 117.00 2b3w h GLN 95 Ca 0.00 -0.14 -0.07 0.00 0.77 0.00 0.00 58.65 59.21 2b3w h GLN 95 Cb 0.81 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.52 2b3w h GLN 95 CO 0.00 0.97 0.14 0.28 -1.93 0.00 0.00 178.83 178.29 2b3w h VAL 96 N -0.69 1.26 -0.91 2.39 2.07 -0.77 -2.47 116.25 117.14 2b3w h VAL 96 Ca -0.03 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.53 2b3w h VAL 96 Cb 1.06 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 2b3w h VAL 96 CO 0.04 0.36 0.59 -0.03 0.02 0.00 0.00 177.57 178.56 2b3w h MET 97 N 0.97 1.20 -0.71 1.57 1.85 -1.49 -2.11 114.93 116.21 2b3w h MET 97 Ca 0.20 -0.08 -0.05 0.00 -0.61 0.00 0.00 59.70 59.16 2b3w h MET 97 Cb 0.38 -0.27 -0.03 0.00 0.43 0.00 0.00 31.60 32.12 2b3w h MET 97 CO 0.01 0.80 0.26 -0.09 -0.40 0.00 0.00 176.91 177.49 2b3w h ARG 98 N 1.24 1.08 -0.28 0.39 2.43 -0.75 0.33 114.38 118.82 2b3w h ARG 98 Ca 0.33 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2b3w h ARG 98 Cb -0.13 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.25 2b3w h ARG 98 CO -0.07 0.91 0.10 -0.22 -1.51 0.00 0.00 179.97 179.18 2b3w h LYS 99 N 1.03 0.42 -0.58 0.20 3.64 -1.10 -0.04 116.57 120.14 2b3w h LYS 99 Ca 0.23 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2b3w h LYS 99 Cb 0.25 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 2b3w h LYS 99 CO -0.01 0.46 0.32 0.00 -2.27 0.00 0.00 179.45 177.94 2b3w h ALA 100 N 0.94 0.75 -0.04 5.00 0.00 -1.03 -0.04 119.26 124.84 2b3w h ALA 100 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2b3w h ALA 100 Cb 0.20 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2b3w h ALA 100 CO -0.01 0.27 0.02 -0.07 0.00 0.00 0.00 179.25 179.47 2b3w h LEU 101 N 0.79 0.04 -0.30 0.00 3.38 -0.16 -0.51 115.31 118.55 2b3w h LEU 101 Ca 0.21 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 2b3w h LEU 101 Cb 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2b3w h LEU 101 CO -0.03 0.04 0.06 -0.09 0.09 0.00 0.00 178.44 178.51 2b3w h ARG 102 N 0.04 0.48 0.00 1.13 2.43 -0.81 -1.76 114.38 115.90 2b3w h ARG 102 Ca 0.01 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2b3w h ARG 102 Cb 0.00 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2b3w h ARG 102 CO -0.00 0.57 -0.02 0.00 -1.51 0.00 0.00 179.97 179.01 2b3w h ALA 103 N 0.89 1.84 0.18 2.80 0.00 -0.89 0.43 119.26 124.51 2b3w h ALA 103 Ca 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2b3w h ALA 103 Cb 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2b3w h ALA 103 CO 0.00 0.02 -0.09 -0.22 0.00 0.00 0.00 179.25 178.97 2b3w h LYS 104 N 0.00 -0.24 -0.01 0.00 3.64 -0.54 -2.35 116.57 117.08 2b3w h LYS 104 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2b3w h LYS 104 Cb 0.04 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2b3w h LYS 104 CO 0.00 0.16 -0.00 1.19 -2.27 0.00 0.00 179.45 178.53 2b3w n PHE 105 N -4.98 0.00 -0.03 1.91 3.72 -0.71 -2.77 117.46 114.60 2b3w n PHE 105 Ca -0.08 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.11 2b3w n PHE 105 Cb 0.26 -0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.67 2b3w n PHE 105 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2b3w n GLU 106 N -0.20 0.73 -0.06 -1.08 -0.58 0.15 -4.33 120.64 115.26 2b3w n GLU 106 Ca 0.21 0.26 -0.13 0.00 -0.42 0.00 0.00 57.16 57.07 2b3w n GLU 106 Cb 0.28 -1.68 -0.01 0.00 -0.57 0.00 0.00 31.44 29.46 2b3w n GLU 106 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 2b3w h GLN 107 N -0.01 0.79 -4.68 3.49 4.15 -1.46 -3.41 115.11 113.99 2b3w h GLN 107 Ca -0.45 -0.50 -0.70 0.00 0.77 0.00 0.00 58.65 57.77 2b3w h GLN 107 Cb 1.97 0.06 -0.28 0.00 0.21 0.00 0.00 27.48 29.43 2b3w h GLN 107 CO 0.04 1.13 -0.60 -1.01 -1.93 0.00 0.00 178.83 176.45 2b3w s HIS 108 N -4.09 3.25 0.22 3.99 3.76 -1.11 -4.93 115.29 116.37 2b3w s HIS 108 Ca -0.10 -1.39 0.25 0.00 -0.15 0.00 0.00 55.06 53.68 2b3w s HIS 108 Cb 0.10 -2.28 1.09 0.00 1.11 0.00 0.00 32.58 32.61 2b3w s HIS 108 CO 0.88 -0.72 1.90 0.00 -0.85 0.00 0.00 174.74 175.95 2b3w h ALA 109 N 8.23 1.09 0.33 -1.40 0.00 -1.83 -2.11 119.26 123.57 2b3w h ALA 109 Ca -0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2b3w h ALA 109 Cb 1.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2b3w h ALA 109 CO 0.60 0.24 -0.22 0.93 0.00 0.00 0.00 179.25 180.81 2b3w h GLU 110 N 0.00 -0.51 -0.22 0.00 3.07 -1.94 -1.81 114.58 113.17 2b3w h GLU 110 Ca -0.00 0.04 -0.13 0.00 -0.50 0.00 0.00 59.36 58.76 2b3w h GLU 110 Cb 0.62 0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 2b3w h GLU 110 CO 0.02 -0.34 -0.42 -0.07 -1.40 0.00 0.00 179.01 176.81 2b3w h LEU 111 N -0.53 0.56 -0.35 1.33 3.38 -1.88 -2.61 115.31 115.21 2b3w h LEU 111 Ca -0.03 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.72 2b3w h LEU 111 Cb 0.45 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2b3w h LEU 111 CO 0.03 0.91 0.14 -0.09 0.09 0.00 0.00 178.44 179.52 2b3w h ARG 112 N 0.43 0.29 -0.78 1.13 2.43 -1.27 0.10 114.38 116.72 2b3w h ARG 112 Ca 0.04 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 2b3w h ARG 112 Cb 0.91 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.36 2b3w h ARG 112 CO 0.08 0.19 0.30 0.00 -1.51 0.00 0.00 179.97 179.03 2b3w h ALA 113 N 1.21 1.06 -0.23 2.80 0.00 -1.17 -0.23 119.26 122.70 2b3w h ALA 113 Ca 0.16 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2b3w h ALA 113 Cb 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2b3w h ALA 113 CO -0.14 0.66 0.13 1.25 0.00 0.00 0.00 179.25 181.15 2b3w h LEU 114 N 1.14 0.28 -0.37 0.00 5.85 -1.03 -1.27 115.31 119.91 2b3w h LEU 114 Ca 0.26 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2b3w h LEU 114 Cb 0.23 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2b3w h LEU 114 CO -0.02 0.27 0.18 0.25 -0.34 0.00 0.00 178.44 178.78 2b3w h LEU 115 N 0.27 0.49 -1.53 2.25 5.85 -0.50 -2.56 115.31 119.58 2b3w h LEU 115 Ca 0.08 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2b3w h LEU 115 Cb 0.05 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.95 2b3w h LEU 115 CO -0.01 0.47 0.00 -0.07 -0.34 0.00 0.00 178.44 178.49 2b3w h LEU 116 N 0.47 0.00 0.00 2.25 3.38 -0.87 -2.26 115.31 118.28 2b3w h LEU 116 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2b3w h LEU 116 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2b3w h LEU 116 CO -0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.51 2b3w n ALA 117 N -2.02 2.29 0.03 1.53 0.00 -0.49 -3.40 120.51 118.45 2b3w n ALA 117 Ca 0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 2b3w n ALA 117 Cb 0.25 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.13 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 1.18 -2.12 0.00 1.35 -1.47 -3.46 112.91 108.39 2b3w h THR 118 Ca 0.00 -2.90 -0.63 0.00 -0.55 0.00 0.00 66.41 62.32 2b3w h THR 118 Cb 0.33 2.66 0.09 0.00 -1.73 0.00 0.00 68.15 69.50 2b3w h THR 118 CO 0.00 0.76 0.22 0.00 -0.25 0.00 0.00 175.52 176.25 2b3w n ALA 119 N -2.57 -0.56 -1.30 6.62 0.00 -1.22 -0.01 120.51 121.48 2b3w n ALA 119 Ca -0.13 0.44 -0.30 0.00 0.00 0.00 0.00 53.44 53.45 2b3w n ALA 119 Cb 1.02 -2.03 0.12 0.00 0.00 0.00 0.00 19.45 18.57 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 1.43 2.50 -2.07 0.00 -0.04 -1.26 -4.87 135.00 130.69 2b3w n PRO 120 Ca 0.13 -3.18 -0.36 0.00 -0.04 0.00 0.00 63.50 60.05 2b3w n PRO 120 Cb 0.27 -2.24 0.02 0.00 -0.04 0.00 0.00 33.50 31.52 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 -3.59 2.63 -0.10 0.55 0.00 0.99 -4.75 121.76 117.48 2b3w s ALA 121 Ca 0.61 0.99 -0.30 0.00 0.00 0.00 0.00 51.96 53.26 2b3w s ALA 121 Cb 0.49 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 20.17 2b3w s ALA 121 CO 0.04 -1.05 1.01 0.15 0.00 0.00 0.00 175.76 175.91 2b3w s LYS 122 N -3.24 4.42 -0.62 0.00 1.02 0.12 -4.92 119.74 116.52 2b3w s LYS 122 Ca 0.75 1.40 -0.21 0.00 0.02 0.00 0.00 55.97 57.93 2b3w s LYS 122 Cb -0.29 -3.54 0.08 0.00 -0.52 0.00 0.00 37.83 33.55 2b3w s LYS 122 CO 0.33 -0.32 0.85 -0.51 -0.92 0.00 0.00 175.35 174.77 2b3w s LEU 123 N 2.03 4.74 -0.06 3.17 1.43 -1.26 -0.73 118.68 127.99 2b3w s LEU 123 Ca 0.49 -1.07 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 2b3w s LEU 123 Cb -0.18 -2.42 0.02 0.00 0.03 0.00 0.00 46.19 43.64 2b3w s LEU 123 CO 0.18 -1.27 -0.05 -0.69 0.23 0.00 0.00 176.35 174.75 2b3w s VAL 124 N 3.49 0.62 0.10 -1.59 1.01 -1.01 -4.28 120.40 118.74 2b3w s VAL 124 Ca 0.19 -0.13 -0.26 0.00 0.00 0.00 0.00 61.98 61.77 2b3w s VAL 124 Cb -0.19 -0.66 -0.06 0.00 0.00 0.00 0.00 36.38 35.46 2b3w s VAL 124 CO 0.10 0.26 0.81 -0.70 0.00 0.00 0.00 175.10 175.56 2b3w s GLU 125 N 1.17 4.57 -0.49 2.72 -6.30 -1.26 -3.47 118.70 115.63 2b3w s GLU 125 Ca -0.07 1.17 0.05 0.00 -2.50 0.00 0.00 54.97 53.63 2b3w s GLU 125 Cb -0.14 -3.33 0.19 0.00 0.00 0.00 0.00 34.13 30.85 2b3w s GLU 125 CO -0.01 0.38 0.44 1.58 0.02 0.00 0.00 175.26 177.67 2b3w n HIS 126 N 2.35 0.41 -4.70 5.30 -0.00 -1.26 -1.49 115.22 115.82 2b3w n HIS 126 Ca -0.03 -3.63 -0.33 0.00 0.46 0.00 0.00 57.72 54.19 2b3w n HIS 126 Cb 0.49 -0.10 -0.14 0.00 -0.12 0.00 0.00 29.99 30.12 2b3w n HIS 126 CO 0.00 0.00 0.00 -0.08 0.46 0.00 0.00 176.34 176.72 2b3w s THR 127 N -0.71 3.24 -1.69 3.57 -1.32 -1.26 -4.82 115.64 112.65 2b3w s THR 127 Ca 0.32 -0.60 0.08 0.00 -1.21 0.00 0.00 61.69 60.29 2b3w s THR 127 Cb 0.06 -2.37 0.27 0.00 -1.51 0.00 0.00 72.50 68.95 2b3w s THR 127 CO -0.16 0.52 1.16 -0.62 -2.21 0.00 0.00 174.62 173.31 2b3w n GLU 128 N 3.46 1.88 -0.02 7.08 1.02 -1.26 -1.79 120.64 131.01 2b3w n GLU 128 Ca -0.18 -1.10 -0.15 0.00 -0.02 0.00 0.00 57.16 55.71 2b3w n GLU 128 Cb 0.53 -1.36 -0.14 0.00 -0.02 0.00 0.00 31.44 30.44 2b3w n GLU 128 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2b3w n ASN 129 N 0.33 1.48 -3.71 1.62 5.15 -1.26 -4.74 115.26 114.13 2b3w n ASN 129 Ca 0.10 0.27 -0.12 0.00 -0.60 0.00 0.00 54.58 54.23 2b3w n ASN 129 Cb 0.34 -0.41 -0.10 0.00 -0.53 0.00 0.00 39.78 39.08 2b3w n ASN 129 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2b3w s ASP 130 N -6.53 -0.51 -0.63 1.20 2.15 -1.25 -5.10 116.67 106.01 2b3w s ASP 130 Ca -0.15 0.93 -0.05 0.00 0.43 0.00 0.00 52.55 53.71 2b3w s ASP 130 Cb 0.07 0.88 0.16 0.00 -0.30 0.00 0.00 42.92 43.74 2b3w s ASP 130 CO 0.79 -0.17 0.46 0.00 -0.17 0.00 0.00 175.17 176.07 2b3w s ALA 131 N 0.76 3.60 0.00 3.66 0.00 -1.26 -3.63 121.76 124.89 2b3w s ALA 131 Ca -0.04 -3.17 0.00 0.00 0.00 0.00 0.00 51.96 48.75 2b3w s ALA 131 Cb -0.05 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.30 2b3w s ALA 131 CO -0.06 -2.09 0.00 0.98 0.00 0.00 0.00 175.76 174.59 2b3w n TYR 132 N 3.71 0.00 -2.61 0.00 9.36 -0.66 -4.80 117.16 122.16 2b3w n TYR 132 Ca 0.07 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.28 2b3w n TYR 132 Cb 0.39 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 39.15 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 -0.61 1.02 0.00 2.98 7.02 -0.61 -4.53 117.44 122.70 2b3w n TRP 133 Ca 0.00 -1.69 0.00 0.00 -1.02 0.00 0.00 57.50 54.79 2b3w n TRP 133 Cb 0.00 -0.22 0.00 0.00 -2.42 0.00 0.00 31.31 28.67 2b3w n TRP 133 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2b3w n GLY 134 N -0.34 -0.06 0.05 6.99 0.00 0.81 -4.39 105.19 108.25 2b3w n GLY 134 Ca 0.11 0.55 -0.05 0.00 0.00 0.00 0.00 46.02 46.63 2b3w n GLY 134 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2b3w n ASP 135 N 0.00 3.00 0.00 1.61 -0.08 -0.56 -1.37 116.55 119.15 2b3w n ASP 135 Ca 0.00 -0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 2b3w n ASP 135 Cb 0.00 0.38 0.00 0.00 2.34 0.00 0.00 41.12 43.84 2b3w n ASP 135 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2b3w n GLY 136 N 2.66 0.48 1.60 0.27 0.00 -1.13 -1.25 105.19 107.83 2b3w n GLY 136 Ca -0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.90 0.83 0.00 -0.02 0.00 -0.74 -4.42 105.19 98.94 2b3w n GLY 137 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.56 0.00 0.00 1.61 1.44 -1.19 -4.89 115.22 109.63 2b3w n HIS 138 Ca -0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2b3w n HIS 138 Cb 0.50 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.61 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 -0.01 3.67 2.82 -1.39 0.00 -0.38 -4.99 105.19 104.91 2b3w n GLY 139 Ca 0.00 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 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 3.94 -0.07 1.61 5.02 -1.20 -4.44 118.16 123.02 2b3w n LYS 140 Ca 0.00 -3.70 0.04 0.00 -2.02 0.00 0.00 58.31 52.63 2b3w n LYS 140 Cb 0.00 -2.81 0.06 0.00 -0.02 0.00 0.00 35.03 32.26 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 2.35 3.12 2.93 0.72 0.00 -1.02 -4.81 105.19 108.48 2b3w n GLY 141 Ca 0.41 -0.47 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.81 -1.22 0.00 1.61 5.02 -1.05 -0.13 118.16 121.57 2b3w n LYS 142 Ca 0.07 1.40 0.05 0.00 -2.02 0.00 0.00 58.31 57.80 2b3w n LYS 142 Cb 0.46 -5.40 0.27 0.00 -0.02 0.00 0.00 35.03 30.35 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 -1.73 0.00 0.06 4.39 5.15 -0.47 -1.81 115.26 120.84 2b3w n ASN 143 Ca -0.00 -1.00 0.20 0.00 -0.60 0.00 0.00 54.58 53.18 2b3w n ASN 143 Cb 0.50 0.00 0.60 0.00 -0.53 0.00 0.00 39.78 40.36 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 0.40 1.20 3.08 -1.86 0.17 114.38 117.37 2b3w h ARG 144 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2b3w h ARG 144 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2b3w h ARG 144 CO 0.00 0.00 -0.32 1.25 -1.07 0.00 0.00 179.97 179.83 2b3w h LEU 145 N 0.00 -0.84 -1.52 3.04 5.85 -1.77 0.97 115.31 121.05 2b3w h LEU 145 Ca 0.24 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.98 2b3w h LEU 145 Cb 1.65 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.94 2b3w h LEU 145 CO -0.00 -0.47 -0.21 1.23 -0.34 0.00 0.00 178.44 178.65 2b3w h GLY 146 N -0.72 0.05 1.00 3.75 0.00 -0.86 -1.91 103.07 104.38 2b3w h GLY 146 Ca -0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 2b3w h GLY 146 CO -0.01 0.03 0.13 -1.82 0.00 0.00 0.00 176.54 174.87 2b3w h TYR 147 N 0.05 0.93 -0.80 5.60 3.20 -1.01 -0.15 116.97 124.78 2b3w h TYR 147 Ca 0.01 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.75 2b3w h TYR 147 Cb 0.40 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 2b3w h TYR 147 CO 0.00 0.80 0.45 -0.07 -1.64 0.00 0.00 178.16 177.70 2b3w h LEU 148 N 0.79 1.00 -1.01 2.82 3.38 -0.30 -2.05 115.31 119.94 2b3w h LEU 148 Ca 0.17 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2b3w h LEU 148 Cb 0.34 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2b3w h LEU 148 CO 0.00 0.80 0.40 -0.07 0.09 0.00 0.00 178.44 179.66 2b3w h LEU 149 N 1.11 0.99 0.12 1.67 3.38 -0.83 0.14 115.31 121.90 2b3w h LEU 149 Ca 0.28 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2b3w h LEU 149 Cb 0.02 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2b3w h LEU 149 CO -0.05 0.82 -0.06 0.24 0.09 0.00 0.00 178.44 179.48 2b3w h MET 150 N 1.10 -0.16 -0.64 1.13 2.86 -0.54 0.50 114.93 119.18 2b3w h MET 150 Ca 0.27 0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.86 2b3w h MET 150 Cb 0.07 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 2b3w h MET 150 CO -0.04 -0.09 0.16 0.93 1.06 0.00 0.00 176.91 178.93 2b3w h GLU 151 N -0.19 1.03 -0.69 1.72 5.08 -1.07 -1.52 114.58 118.94 2b3w h GLU 151 Ca -0.02 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 2b3w h GLU 151 Cb 0.15 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2b3w h GLU 151 CO 0.03 0.93 0.33 1.25 -1.00 0.00 0.00 179.01 180.55 2b3w h LEU 152 N 0.96 0.90 0.60 1.33 5.85 -0.61 0.54 115.31 124.87 2b3w h LEU 152 Ca 0.20 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2b3w h LEU 152 Cb 0.36 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2b3w h LEU 152 CO 0.00 0.77 -0.31 -0.09 -0.34 0.00 0.00 178.44 178.48 2b3w h ARG 153 N 0.95 -0.81 -0.33 1.25 2.43 -0.52 -0.72 114.38 116.63 2b3w h ARG 153 Ca 0.24 0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.47 2b3w h ARG 153 Cb 0.11 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2b3w h ARG 153 CO -0.03 -0.54 0.22 0.93 -1.51 0.00 0.00 179.97 179.04 2b3w h GLU 154 N -0.84 0.39 -0.74 0.20 3.07 -1.19 0.35 114.58 115.83 2b3w h GLU 154 Ca -0.08 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.69 2b3w h GLU 154 Cb 0.66 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.45 2b3w h GLU 154 CO 0.11 0.26 0.21 0.37 -1.40 0.00 0.00 179.01 178.56 2b3w h GLN 155 N 0.40 1.16 0.00 2.33 4.15 -0.47 0.12 115.11 122.81 2b3w h GLN 155 Ca 0.13 -0.26 -0.06 0.00 0.77 0.00 0.00 58.65 59.23 2b3w h GLN 155 Cb 0.02 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 2b3w h GLN 155 CO -0.03 1.00 -0.26 -0.07 -1.93 0.00 0.00 178.83 177.54 2b3w h LEU 156 N 1.11 0.00 0.01 -2.39 3.38 0.08 -0.90 115.31 116.60 2b3w h LEU 156 Ca 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 2b3w h LEU 156 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2b3w h LEU 156 CO -0.00 0.26 -0.01 0.00 0.09 0.00 0.00 178.44 178.78 2b3w h ALA 157 N 1.74 -0.02 0.00 1.53 0.00 -0.52 -3.21 119.26 118.78 2b3w h ALA 157 Ca -0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2b3w h ALA 157 Cb 1.09 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2b3w h ALA 157 CO 0.03 -0.20 -0.16 0.82 0.00 0.00 0.00 179.25 179.75 2b3w h ILE 158 N -0.64 0.74 -0.96 0.00 2.04 -0.75 -2.17 117.51 115.77 2b3w h ILE 158 Ca -0.00 -0.64 0.15 0.00 1.00 0.00 0.00 64.86 65.37 2b3w h ILE 158 Cb 0.61 1.39 -0.10 0.00 -0.74 0.00 0.00 36.82 37.98 2b3w h ILE 158 CO 0.00 0.15 0.57 -0.08 0.00 0.00 0.00 178.15 178.80 2b3w h GLU 159 N 0.00 0.79 -0.01 2.37 4.57 -1.15 0.22 114.58 121.37 2b3w h GLU 159 Ca -0.00 -0.05 -0.16 0.00 -1.18 0.00 0.00 59.36 57.97 2b3w h GLU 159 Cb 0.37 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 2b3w h GLU 159 CO 0.02 0.52 -0.74 0.87 -1.18 0.00 0.00 179.01 178.50 2b3w h LYS 160 N 0.81 0.05 -0.12 1.92 1.57 -1.45 0.24 116.57 119.60 2b3w h LYS 160 Ca 0.52 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 59.12 2b3w h LYS 160 Cb 0.68 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2b3w h LYS 160 CO -0.33 0.76 -0.52 -0.07 -0.57 0.00 0.00 179.45 178.72 2b3w h LEU 161 N 0.03 0.35 0.06 2.94 4.07 -0.95 -2.77 115.31 119.04 2b3w h LEU 161 Ca -0.01 -0.18 -0.26 0.00 0.08 0.00 0.00 57.88 57.51 2b3w h LEU 161 Cb 1.31 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.94 2b3w h LEU 161 CO 0.10 0.81 -1.17 -0.33 -1.08 0.00 0.00 178.44 176.77 2b3w h GLU 162 N 0.25 0.25 -7.03 1.13 5.08 -0.55 -3.48 114.58 110.23 2b3w h GLU 162 Ca 0.01 -0.40 -0.61 0.00 -1.00 0.00 0.00 59.36 57.36 2b3w h GLU 162 Cb 1.00 0.14 -0.20 0.00 0.50 0.00 0.00 28.75 30.20 2b3w h GLU 162 CO 0.09 1.17 -0.96 -2.39 -1.00 0.00 0.00 179.01 175.92 2b3w n HIS 163 N -3.54 -1.30 -3.22 4.33 1.44 0.83 -4.91 115.22 108.86 2b3w n HIS 163 Ca -0.07 0.63 -0.15 0.00 -2.01 0.00 0.00 57.72 56.12 2b3w n HIS 163 Cb 0.99 -2.88 -0.06 0.00 0.12 0.00 0.00 29.99 28.16 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 -4.33 -0.40 0.77 -1.40 5.04 -1.26 -5.08 115.29 108.63 2b3w s HIS 164 Ca 0.01 -1.03 -0.11 0.00 -1.54 0.00 0.00 55.06 52.39 2b3w s HIS 164 Cb -0.01 -0.30 0.06 0.00 0.04 0.00 0.00 32.58 32.38 2b3w s HIS 164 CO 0.99 -1.03 1.13 -1.58 -2.34 0.00 0.00 174.74 171.91 2b3w s HIS 165 N 1.01 3.01 0.48 3.88 2.46 -1.26 -5.01 115.29 119.85 2b3w s HIS 165 Ca 0.24 0.73 -0.24 0.00 0.47 0.00 0.00 55.06 56.26 2b3w s HIS 165 Cb -0.06 -3.35 -0.07 0.00 -0.13 0.00 0.00 32.58 28.96 2b3w s HIS 165 CO -0.07 -1.59 1.33 -1.01 -2.47 0.00 0.00 174.74 170.93 2b3w s HIS 166 N -3.46 2.54 0.43 3.88 3.76 -1.26 -4.90 115.29 116.27 2b3w s HIS 166 Ca 0.61 1.38 0.18 0.00 -0.15 0.00 0.00 55.06 57.08 2b3w s HIS 166 Cb -0.11 -3.73 1.12 0.00 1.11 0.00 0.00 32.58 30.96 2b3w s HIS 166 CO 0.48 -2.51 2.00 1.25 -0.85 0.00 0.00 174.74 175.12 2b3w h HIS 167 N 2.03 0.00 0.00 1.40 2.76 -2.07 -3.57 115.15 115.70 2b3w h HIS 167 Ca -0.50 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.67 2b3w h HIS 167 Cb 1.27 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.23 2b3w h HIS 167 CO 0.50 0.18 0.00 0.72 -1.30 0.00 0.00 177.93 178.03