#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 4.36 -1.03 0.03 0.04 -1.26 -4.95 135.00 132.18 2b3w s PRO 2 Ca 0.00 1.86 -0.22 0.00 0.04 0.00 0.00 61.00 62.67 2b3w s PRO 2 Cb 0.00 -3.43 0.06 0.00 0.04 0.00 0.00 34.50 31.17 2b3w s PRO 2 CO 0.00 -0.41 1.44 0.08 0.04 0.00 0.00 177.00 178.15 2b3w s VAL 3 N 1.66 4.00 -1.18 -0.36 1.01 -1.26 -4.92 120.40 119.35 2b3w s VAL 3 Ca 0.61 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 2b3w s VAL 3 Cb -0.30 -5.05 0.15 0.00 0.00 0.00 0.00 36.38 31.18 2b3w s VAL 3 CO 0.27 -1.91 1.45 -0.60 0.00 0.00 0.00 175.10 174.31 2b3w s ARG 4 N 4.73 4.00 -0.15 2.72 3.52 -1.26 -4.80 118.95 127.71 2b3w s ARG 4 Ca 0.45 -2.34 0.00 0.00 -0.13 0.00 0.00 55.73 53.71 2b3w s ARG 4 Cb -0.00 -5.13 0.15 0.00 -1.56 0.00 0.00 34.95 28.40 2b3w s ARG 4 CO -0.09 -1.86 1.62 0.00 -0.81 0.00 0.00 175.30 174.16 2b3w n ALA 5 N 6.31 3.95 -3.10 6.12 0.00 -1.26 -4.48 120.51 128.04 2b3w n ALA 5 Ca 0.37 -0.84 -0.05 0.00 0.00 0.00 0.00 53.44 52.92 2b3w n ALA 5 Cb 0.44 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.93 0.88 -0.06 0.00 0.74 -1.26 -4.67 119.66 114.36 2b3w s GLN 6 Ca 0.16 -0.73 -0.04 0.00 0.05 0.00 0.00 55.36 54.81 2b3w s GLN 6 Cb 0.13 -0.17 -0.03 0.00 1.10 0.00 0.00 33.01 34.04 2b3w s GLN 6 CO 0.01 -1.25 -0.09 0.54 -0.55 0.00 0.00 175.29 173.96 2b3w n ARG 7 N 3.83 0.15 -3.61 1.67 5.12 -1.26 -4.95 116.66 117.61 2b3w n ARG 7 Ca 0.14 0.06 -0.40 0.00 -1.93 0.00 0.00 57.85 55.73 2b3w n ARG 7 Cb 0.54 -0.75 -0.10 0.00 -1.16 0.00 0.00 32.46 30.99 2b3w n ARG 7 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2b3w s ILE 8 N -2.14 4.20 -0.20 0.55 1.01 -1.26 -4.89 121.20 118.47 2b3w s ILE 8 Ca -0.10 -1.44 0.16 0.00 0.00 0.00 0.00 60.65 59.27 2b3w s ILE 8 Cb 0.03 -3.59 -0.24 0.00 0.01 0.00 0.00 42.46 38.67 2b3w s ILE 8 CO 0.12 -0.53 0.07 1.67 0.00 0.00 0.00 174.94 176.27 2b3w n GLN 9 N 4.91 0.68 -3.78 2.79 7.27 -1.26 -4.84 117.38 123.15 2b3w n GLN 9 Ca -0.10 0.02 -0.37 0.00 0.07 0.00 0.00 57.00 56.62 2b3w n GLN 9 Cb 0.43 -1.53 -0.13 0.00 2.41 0.00 0.00 30.24 31.42 2b3w n GLN 9 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2b3w s HIS 10 N -2.50 3.26 0.49 3.69 2.46 -1.26 -5.07 115.29 116.36 2b3w s HIS 10 Ca -0.12 -1.52 -0.07 0.00 0.47 0.00 0.00 55.06 53.82 2b3w s HIS 10 Cb 0.06 -2.27 -0.04 0.00 -0.13 0.00 0.00 32.58 30.20 2b3w s HIS 10 CO 0.81 -0.75 0.82 0.14 -2.47 0.00 0.00 174.74 173.29 2b3w s VAL 11 N 1.37 4.86 -0.69 0.89 -7.23 -1.26 -4.97 120.40 113.36 2b3w s VAL 11 Ca -0.02 0.38 0.10 0.00 -1.81 0.00 0.00 61.98 60.63 2b3w s VAL 11 Cb -0.20 -3.84 0.53 0.00 0.56 0.00 0.00 36.38 33.43 2b3w s VAL 11 CO 0.02 -0.83 1.33 0.23 -0.31 0.00 0.00 175.10 175.54 2b3w n MET 12 N -2.15 3.41 -1.80 4.82 2.81 -1.26 -4.98 117.12 117.97 2b3w n MET 12 Ca 0.02 -2.05 0.00 0.00 -1.81 0.00 0.00 57.70 53.86 2b3w n MET 12 Cb 0.55 -1.93 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 2b3w n MET 12 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2b3w n GLN 13 N 0.48 -4.01 -3.42 0.03 7.27 -1.26 -4.78 117.38 111.70 2b3w n GLN 13 Ca 0.18 3.00 -0.16 0.00 0.07 0.00 0.00 57.00 60.09 2b3w n GLN 13 Cb 0.82 -3.34 0.02 0.00 2.41 0.00 0.00 30.24 30.15 2b3w n GLN 13 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2b3w n ASP 14 N 1.38 -6.33 -4.47 1.69 2.03 -1.25 -5.01 116.55 104.59 2b3w n ASP 14 Ca 0.00 -0.60 -0.29 0.00 0.52 0.00 0.00 54.79 54.42 2b3w n ASP 14 Cb 0.00 -3.89 -0.12 0.00 -0.72 0.00 0.00 41.12 36.39 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 -3.15 2.71 -0.45 5.18 -1.32 -1.26 -4.95 115.64 112.41 2b3w s THR 15 Ca 0.16 -1.60 -0.16 0.00 -1.21 0.00 0.00 61.69 58.89 2b3w s THR 15 Cb -0.05 -2.25 0.05 0.00 -1.51 0.00 0.00 72.50 68.74 2b3w s THR 15 CO 0.81 0.07 0.40 -0.63 -2.21 0.00 0.00 174.62 173.07 2b3w s ILE 16 N -1.19 5.17 -0.42 5.08 1.09 -1.26 0.58 121.20 130.25 2b3w s ILE 16 Ca 0.18 -0.74 -0.21 0.00 -1.10 0.00 0.00 60.65 58.77 2b3w s ILE 16 Cb -0.10 -4.07 0.02 0.00 -1.06 0.00 0.00 42.46 37.25 2b3w s ILE 16 CO 0.10 -0.49 0.68 -0.63 -0.10 0.00 0.00 174.94 174.49 2b3w s ILE 17 N 1.86 4.80 -0.55 2.92 1.01 0.04 -4.93 121.20 126.35 2b3w s ILE 17 Ca 0.07 0.29 -0.21 0.00 0.00 0.00 0.00 60.65 60.80 2b3w s ILE 17 Cb -0.21 -4.21 0.06 0.00 0.01 0.00 0.00 42.46 38.11 2b3w s ILE 17 CO 0.10 -0.56 0.78 0.20 0.00 0.00 0.00 174.94 175.45 2b3w s ASN 18 N 1.99 6.25 -0.14 3.58 0.02 -1.25 -0.97 114.94 124.42 2b3w s ASN 18 Ca 0.25 -0.77 -0.07 0.00 -1.02 0.00 0.00 52.86 51.24 2b3w s ASN 18 Cb -0.14 -2.36 -0.04 0.00 0.02 0.00 0.00 41.25 38.73 2b3w s ASN 18 CO 0.19 -1.09 0.12 0.72 0.02 0.00 0.00 177.10 177.06 2b3w s PHE 19 N 3.27 3.50 0.24 2.20 -0.12 0.43 -4.80 117.98 122.70 2b3w s PHE 19 Ca 0.21 0.43 -0.12 0.00 -0.05 0.00 0.00 56.93 57.41 2b3w s PHE 19 Cb -0.17 -1.98 -0.01 0.00 -0.63 0.00 0.00 43.02 40.23 2b3w s PHE 19 CO 0.14 0.59 0.44 -0.47 -0.05 0.00 0.00 175.22 175.87 2b3w s TYR 20 N -0.64 0.44 0.00 3.49 5.04 -1.26 -1.79 117.35 122.63 2b3w s TYR 20 Ca 0.13 -0.79 -0.00 0.00 -2.44 0.00 0.00 57.07 53.96 2b3w s TYR 20 Cb -0.12 0.11 0.00 0.00 0.35 0.00 0.00 41.96 42.30 2b3w s TYR 20 CO 0.02 -0.95 0.00 0.45 -1.34 0.00 0.00 175.55 173.73 2b3w n SER 21 N -0.37 -3.53 -0.06 4.32 2.88 -1.26 -4.52 113.62 111.07 2b3w n SER 21 Ca -0.01 0.41 0.12 0.00 -1.33 0.00 0.00 58.87 58.05 2b3w n SER 21 Cb 0.62 -1.94 0.68 0.00 -0.75 0.00 0.00 64.21 62.82 2b3w n SER 21 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2b3w n THR 22 N 0.40 0.01 1.22 2.46 -2.24 -1.26 -2.88 114.28 112.00 2b3w n THR 22 Ca -0.01 -0.04 0.13 0.00 -2.27 0.00 0.00 64.05 61.86 2b3w n THR 22 Cb 0.01 -0.28 0.33 0.00 -2.10 0.00 0.00 70.33 68.30 2b3w n THR 22 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2b3w n SER 23 N -0.74 1.19 -4.82 3.42 2.88 -1.26 -4.87 113.62 109.42 2b3w n SER 23 Ca 0.18 -1.01 -0.22 0.00 -1.33 0.00 0.00 58.87 56.49 2b3w n SER 23 Cb 0.11 0.17 -0.04 0.00 -0.75 0.00 0.00 64.21 63.70 2b3w n SER 23 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2b3w s ASP 24 N -2.47 5.08 0.24 -3.46 1.01 -1.14 -5.02 116.67 110.91 2b3w s ASP 24 Ca 0.24 -0.62 0.26 0.00 0.71 0.00 0.00 52.55 53.14 2b3w s ASP 24 Cb 0.19 -0.84 0.85 0.00 1.01 0.00 0.00 42.92 44.13 2b3w s ASP 24 CO 0.52 -0.39 1.76 -2.24 0.21 0.00 0.00 175.17 175.03 2b3w h ASP 25 N 1.30 0.00 -0.02 0.27 2.03 -1.91 -2.50 116.42 115.59 2b3w h ASP 25 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 2b3w h ASP 25 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2b3w h ASP 25 CO 0.60 0.00 -0.15 -1.22 -1.03 0.00 0.00 179.24 177.44 2b3w n TYR 26 N -2.32 0.00 1.57 4.15 4.02 -1.26 -4.34 117.16 118.98 2b3w n TYR 26 Ca 0.04 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.06 2b3w n TYR 26 Cb 0.38 0.00 0.74 0.00 -0.02 0.00 0.00 39.34 40.43 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 1.30 -0.79 0.33 2.72 0.00 -0.94 -3.68 105.19 104.13 2b3w n GLY 27 Ca 0.12 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 0.31 0.29 1.61 3.58 -1.76 -1.67 116.42 118.79 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 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 40.98 2b3w h ASP 28 CO 0.00 0.20 -0.02 -0.26 -2.88 0.00 0.00 179.24 176.28 2b3w h PHE 29 N 0.35 0.00 -3.96 0.28 0.04 -1.94 -3.43 116.94 108.28 2b3w h PHE 29 Ca 0.21 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.46 2b3w h PHE 29 Cb 0.38 0.00 0.07 0.00 2.20 0.00 0.00 35.95 38.60 2b3w h PHE 29 CO -0.00 0.02 0.54 -1.12 -0.60 0.00 0.00 178.31 177.15 2b3w s SER 30 N -5.55 6.28 0.58 2.17 0.01 -0.63 -4.91 113.70 111.65 2b3w s SER 30 Ca -0.03 2.47 0.36 0.00 1.31 0.00 0.00 55.95 60.06 2b3w s SER 30 Cb 0.12 -2.62 1.61 0.00 0.21 0.00 0.00 66.02 65.34 2b3w s SER 30 CO 0.48 -0.85 2.08 -0.55 0.41 0.00 0.00 173.24 174.81 2b3w h ASN 31 N 2.44 0.00 -0.55 2.44 7.08 -1.88 -2.19 115.58 122.92 2b3w h ASN 31 Ca -0.49 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.73 2b3w h ASN 31 Cb 1.25 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.49 2b3w h ASN 31 CO 0.62 0.01 0.00 0.33 -2.08 0.00 0.00 177.43 176.30 2b3w n PHE 32 N -3.11 0.83 -1.85 4.14 7.35 -1.26 -4.23 117.46 119.33 2b3w n PHE 32 Ca -0.00 -0.39 -0.41 0.00 -0.76 0.00 0.00 57.45 55.89 2b3w n PHE 32 Cb 0.25 -0.04 -0.00 0.00 0.35 0.00 0.00 39.48 40.04 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 -1.34 3.54 -1.38 3.13 0.00 -0.83 -4.88 121.76 120.00 2b3w s ALA 33 Ca 0.38 1.52 -0.07 0.00 0.00 0.00 0.00 51.96 53.79 2b3w s ALA 33 Cb 0.21 -3.59 0.03 0.00 0.00 0.00 0.00 23.12 19.76 2b3w s ALA 33 CO 0.24 -1.01 2.65 0.00 0.00 0.00 0.00 175.76 177.65 2b3w n ALA 34 N 0.47 7.09 -4.01 0.00 0.00 -1.26 -4.48 120.51 118.31 2b3w n ALA 34 Ca 0.01 -3.78 -0.33 0.00 0.00 0.00 0.00 53.44 49.34 2b3w n ALA 34 Cb 0.40 -2.97 -0.15 0.00 0.00 0.00 0.00 19.45 16.72 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 0.15 2.99 0.16 0.00 0.52 -1.23 -4.99 118.94 116.54 2b3w s TRP 35 Ca 0.61 -1.82 -0.31 0.00 0.02 0.00 0.00 56.10 54.59 2b3w s TRP 35 Cb 0.19 -1.95 -0.11 0.00 -1.15 0.00 0.00 33.47 30.45 2b3w s TRP 35 CO -0.08 -0.81 1.71 -2.14 0.02 0.00 0.00 176.95 175.65 2b3w s PRO 36 N 1.24 4.15 -0.11 4.98 0.02 -1.15 -4.30 135.00 139.84 2b3w s PRO 36 Ca -0.00 2.53 -0.00 0.00 0.02 0.00 0.00 61.00 63.54 2b3w s PRO 36 Cb -0.16 -3.29 -0.02 0.00 0.02 0.00 0.00 34.50 31.05 2b3w s PRO 36 CO -0.09 -0.75 -0.10 0.96 -0.33 0.00 0.00 177.00 176.70 2b3w s ILE 37 N 1.76 3.36 -0.51 2.83 -4.36 0.60 -4.92 121.20 119.95 2b3w s ILE 37 Ca 0.75 -0.57 -0.19 0.00 -0.26 0.00 0.00 60.65 60.38 2b3w s ILE 37 Cb -0.46 -2.40 0.06 0.00 1.25 0.00 0.00 42.46 40.91 2b3w s ILE 37 CO 0.33 0.54 0.64 -0.75 0.24 0.00 0.00 174.94 175.95 2b3w s LYS 38 N -0.07 3.12 -0.16 0.37 2.47 -1.26 -0.22 119.74 123.99 2b3w s LYS 38 Ca -0.01 -0.90 0.01 0.00 -1.56 0.00 0.00 55.97 53.51 2b3w s LYS 38 Cb -0.14 -4.11 0.03 0.00 -1.46 0.00 0.00 37.83 32.15 2b3w s LYS 38 CO 0.03 -1.26 -0.14 0.08 0.16 0.00 0.00 175.35 174.23 2b3w s VAL 39 N 2.69 1.65 -1.76 4.02 1.01 0.74 -4.74 120.40 124.01 2b3w s VAL 39 Ca 0.15 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2b3w s VAL 39 Cb -0.19 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.61 2b3w s VAL 39 CO 0.12 0.41 0.00 0.47 0.00 0.00 0.00 175.10 176.10 2b3w n ASP 40 N 4.74 -5.52 0.00 3.32 8.00 -1.26 -0.85 116.55 124.98 2b3w n ASP 40 Ca -0.17 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.45 2b3w n ASP 40 Cb 0.49 -4.66 0.00 0.00 -0.02 0.00 0.00 41.12 36.93 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 -0.85 0.54 3.42 0.44 0.00 -1.26 -5.05 105.19 102.43 2b3w n GLY 41 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.82 2.85 -0.48 1.61 1.02 -0.03 -5.08 119.74 118.80 2b3w s LYS 42 Ca 0.00 -0.71 -0.18 0.00 0.02 0.00 0.00 55.97 55.10 2b3w s LYS 42 Cb 0.00 -2.46 0.05 0.00 -0.52 0.00 0.00 37.83 34.91 2b3w s LYS 42 CO 0.00 0.44 0.56 0.99 -0.92 0.00 0.00 175.35 176.42 2b3w s THR 43 N -0.26 4.96 -0.13 2.17 2.01 -1.26 -0.18 115.64 122.95 2b3w s THR 43 Ca 0.01 -0.52 -0.19 0.00 0.31 0.00 0.00 61.69 61.30 2b3w s THR 43 Cb -0.13 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 2b3w s THR 43 CO 0.03 -0.70 0.50 0.26 -0.69 0.00 0.00 174.62 174.03 2b3w s TRP 44 N 2.40 3.49 0.39 4.92 0.52 0.69 -4.87 118.94 126.48 2b3w s TRP 44 Ca 0.13 0.90 0.12 0.00 0.02 0.00 0.00 56.10 57.27 2b3w s TRP 44 Cb -0.19 -2.60 0.94 0.00 -1.15 0.00 0.00 33.47 30.47 2b3w s TRP 44 CO 0.12 0.11 1.90 -1.35 0.02 0.00 0.00 176.95 177.75 2b3w h PRO 45 N 6.87 0.53 -3.79 4.98 0.11 -1.88 0.17 132.00 138.99 2b3w h PRO 45 Ca -0.39 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.59 2b3w h PRO 45 Cb 1.17 -0.12 -0.12 0.00 0.11 0.00 0.00 31.00 32.04 2b3w h PRO 45 CO 0.75 0.35 -0.26 0.95 -0.21 0.00 0.00 178.00 179.58 2b3w s THR 46 N -5.53 0.06 0.25 -1.15 -4.23 -1.26 -2.92 115.64 100.85 2b3w s THR 46 Ca -0.09 -1.30 -0.05 0.00 -1.18 0.00 0.00 61.69 59.08 2b3w s THR 46 Cb 0.21 -1.81 0.22 0.00 1.34 0.00 0.00 72.50 72.47 2b3w s THR 46 CO 0.78 -0.26 1.85 0.28 -0.54 0.00 0.00 174.62 176.72 2b3w h SER 47 N 2.49 0.84 0.08 3.99 0.02 -1.79 -0.88 113.55 118.30 2b3w h SER 47 Ca -0.31 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2b3w h SER 47 Cb 1.23 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2b3w h SER 47 CO 0.46 0.53 0.00 1.21 -1.14 0.00 0.00 176.83 177.89 2b3w n GLU 48 N -4.62 0.61 0.07 3.45 4.07 -1.26 -0.20 120.64 122.75 2b3w n GLU 48 Ca 0.13 0.02 -0.23 0.00 -0.06 0.00 0.00 57.16 57.02 2b3w n GLU 48 Cb 0.20 -1.50 -0.15 0.00 -0.06 0.00 0.00 31.44 29.93 2b3w n GLU 48 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2b3w h HIS 49 N 0.00 0.70 -0.07 4.31 3.86 -1.54 -1.62 115.15 120.80 2b3w h HIS 49 Ca 0.00 -0.51 -0.20 0.00 -1.16 0.00 0.00 60.37 58.50 2b3w h HIS 49 Cb 0.04 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.48 2b3w h HIS 49 CO 0.00 1.65 -0.80 -0.92 0.86 0.00 0.00 177.93 178.72 2b3w h TYR 50 N 0.04 0.64 -0.03 2.45 3.20 -1.38 -2.51 116.97 119.39 2b3w h TYR 50 Ca -0.33 -0.30 -0.14 0.00 3.14 0.00 0.00 58.73 61.10 2b3w h TYR 50 Cb 2.05 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 40.21 2b3w h TYR 50 CO 0.11 1.09 -0.61 0.35 -1.64 0.00 0.00 178.16 177.46 2b3w h PHE 51 N 0.30 0.14 -0.11 -3.82 3.57 -0.71 -2.41 116.94 113.90 2b3w h PHE 51 Ca -0.05 -0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.31 2b3w h PHE 51 Cb 1.40 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.11 2b3w h PHE 51 CO 0.05 0.69 -0.25 0.37 -2.23 0.00 0.00 178.31 176.94 2b3w h GLN 52 N 0.08 0.37 -0.65 1.11 5.75 -1.27 0.29 115.11 120.80 2b3w h GLN 52 Ca -0.01 -0.25 -0.02 0.00 -0.15 0.00 0.00 58.65 58.22 2b3w h GLN 52 Cb 1.09 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.64 2b3w h GLN 52 CO 0.09 0.85 0.31 0.00 -2.65 0.00 0.00 178.83 177.43 2b3w h ALA 53 N 0.52 1.33 -0.00 3.38 0.00 -1.43 -1.85 119.26 121.21 2b3w h ALA 53 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2b3w h ALA 53 Cb 0.85 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2b3w h ALA 53 CO 0.06 0.52 -0.35 1.04 0.00 0.00 0.00 179.25 180.52 2b3w n GLN 54 N -4.35 0.28 0.15 0.00 3.00 -0.91 -3.46 117.38 112.09 2b3w n GLN 54 Ca 0.06 -0.14 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 2b3w n GLN 54 Cb 0.13 -1.50 0.27 0.00 0.00 0.00 0.00 30.24 29.14 2b3w n GLN 54 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 2b3w h LYS 55 N 0.35 0.05 -5.56 -1.09 3.64 -0.05 -3.45 116.57 110.45 2b3w h LYS 55 Ca 0.00 -0.02 -0.63 0.00 -1.27 0.00 0.00 60.65 58.73 2b3w h LYS 55 Cb 0.49 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.20 2b3w h LYS 55 CO 0.00 0.51 -0.47 -0.06 -2.27 0.00 0.00 179.45 177.15 2b3w s PHE 56 N -3.98 2.02 0.00 1.91 0.08 -1.20 -4.38 117.98 112.43 2b3w s PHE 56 Ca -0.03 -0.83 0.00 0.00 0.12 0.00 0.00 56.93 56.20 2b3w s PHE 56 Cb 0.14 -1.77 0.00 0.00 -0.57 0.00 0.00 43.02 40.82 2b3w s PHE 56 CO 0.75 0.08 0.80 1.47 -0.10 0.00 0.00 175.22 178.22 2b3w n LEU 57 N -1.35 1.53 -4.69 -0.37 -0.00 -1.26 -4.94 117.00 105.92 2b3w n LEU 57 Ca -0.10 -1.53 -0.42 0.00 -0.00 0.00 0.00 56.01 53.96 2b3w n LEU 57 Cb 0.66 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 44.05 2b3w n LEU 57 CO 0.41 0.38 0.90 -1.81 -0.00 0.00 0.00 177.39 177.28 2b3w s ASP 58 N -0.64 7.10 0.29 1.45 1.01 -1.26 -4.92 116.67 119.69 2b3w s ASP 58 Ca 0.00 1.81 -0.00 0.00 0.71 0.00 0.00 52.55 55.07 2b3w s ASP 58 Cb 0.00 -2.56 0.43 0.00 1.01 0.00 0.00 42.92 41.79 2b3w s ASP 58 CO 0.00 -0.53 1.82 1.05 0.21 0.00 0.00 175.17 177.73 2b3w h GLU 59 N 7.26 0.76 -0.12 8.23 -0.00 -1.98 -0.27 114.58 128.46 2b3w h GLU 59 Ca -0.36 -0.16 -0.01 0.00 -0.00 0.00 0.00 59.36 58.82 2b3w h GLU 59 Cb 1.17 -0.11 -0.00 0.00 -0.00 0.00 0.00 28.75 29.81 2b3w h GLU 59 CO 0.86 0.72 0.02 0.87 -0.00 0.00 0.00 179.01 181.47 2b3w h LYS 60 N 0.73 0.19 -0.35 1.06 1.79 -2.00 -2.62 116.57 115.39 2b3w h LYS 60 Ca 0.16 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.56 2b3w h LYS 60 Cb 0.33 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 2b3w h LYS 60 CO 0.00 0.39 0.15 1.88 -1.08 0.00 0.00 179.45 180.79 2b3w h TYR 61 N -0.03 0.52 -0.80 -1.35 -1.99 -1.90 -0.21 116.97 111.20 2b3w h TYR 61 Ca 0.04 -0.04 0.10 0.00 2.00 0.00 0.00 58.73 60.83 2b3w h TYR 61 Cb 0.29 -0.16 -0.07 0.00 2.00 0.00 0.00 36.73 38.79 2b3w h TYR 61 CO 0.02 0.48 0.44 -0.09 -0.00 0.00 0.00 178.16 179.00 2b3w h ARG 62 N 0.42 0.71 -0.38 4.88 2.43 -1.07 0.13 114.38 121.50 2b3w h ARG 62 Ca 0.12 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.10 2b3w h ARG 62 Cb 0.17 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2b3w h ARG 62 CO -0.01 0.47 -0.33 0.93 -1.51 0.00 0.00 179.97 179.52 2b3w h GLU 63 N 0.73 0.90 -0.43 0.20 5.08 -1.06 -2.13 114.58 117.87 2b3w h GLU 63 Ca 0.39 -0.46 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2b3w h GLU 63 Cb 0.40 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2b3w h GLU 63 CO -0.26 1.11 0.15 0.93 -1.00 0.00 0.00 179.01 179.93 2b3w h GLU 64 N 0.71 0.66 0.00 2.33 4.39 -0.02 -1.74 114.58 120.91 2b3w h GLU 64 Ca 0.07 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 2b3w h GLU 64 Cb 0.92 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 2b3w h GLU 64 CO 0.08 0.63 -0.22 0.82 -1.16 0.00 0.00 179.01 179.17 2b3w h ILE 65 N 0.55 0.77 0.00 3.13 2.04 -0.79 -0.07 117.51 123.15 2b3w h ILE 65 Ca 0.14 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.09 2b3w h ILE 65 Cb 0.24 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 2b3w h ILE 65 CO -0.01 0.22 0.00 -1.14 0.00 0.00 0.00 178.15 177.22 2b3w n ARG 66 N -3.71 0.26 0.00 2.37 0.00 -0.80 -3.20 116.66 111.58 2b3w n ARG 66 Ca -0.01 0.28 0.12 0.00 -0.00 0.00 0.00 57.85 58.24 2b3w n ARG 66 Cb 0.34 -1.84 0.15 0.00 0.00 0.00 0.00 32.46 31.11 2b3w n ARG 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2b3w n ARG 67 N -2.30 1.11 -4.53 -0.14 1.74 -0.06 -4.91 116.66 107.58 2b3w n ARG 67 Ca 0.05 -0.84 -0.34 0.00 -0.77 0.00 0.00 57.85 55.95 2b3w n ARG 67 Cb 0.38 -1.48 -0.12 0.00 -1.02 0.00 0.00 32.46 30.21 2b3w n ARG 67 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2b3w s VAL 68 N -2.46 3.69 -0.15 1.55 0.11 -1.09 -4.98 120.40 117.07 2b3w s VAL 68 Ca 0.21 -0.45 0.02 0.00 -2.93 0.00 0.00 61.98 58.84 2b3w s VAL 68 Cb 0.19 -2.58 -0.23 0.00 -1.53 0.00 0.00 36.38 32.23 2b3w s VAL 68 CO 0.54 0.53 0.25 -1.20 -3.33 0.00 0.00 175.10 171.89 2b3w n SER 69 N 3.19 1.60 -4.64 3.54 7.64 -1.26 -4.86 113.62 118.82 2b3w n SER 69 Ca -0.18 0.15 -0.42 0.00 1.01 0.00 0.00 58.87 59.43 2b3w n SER 69 Cb 0.53 -0.38 -0.03 0.00 -1.01 0.00 0.00 64.21 63.31 2b3w n SER 69 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2b3w s SER 70 N -6.55 6.28 0.16 6.43 0.01 -1.26 -4.87 113.70 113.90 2b3w s SER 70 Ca -0.20 2.25 -0.12 0.00 1.31 0.00 0.00 55.95 59.19 2b3w s SER 70 Cb 0.07 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.81 2b3w s SER 70 CO 0.75 -1.24 1.64 -0.65 0.41 0.00 0.00 173.24 174.14 2b3w h PRO 71 N 11.30 0.89 -0.43 12.44 0.11 -1.98 -3.03 132.00 151.30 2b3w h PRO 71 Ca -0.43 -0.25 -0.07 0.00 0.11 0.00 0.00 66.00 65.36 2b3w h PRO 71 Cb 1.21 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2b3w h PRO 71 CO 0.96 0.88 -0.02 1.98 -0.21 0.00 0.00 178.00 181.59 2b3w h MET 72 N 0.77 0.70 -0.45 1.05 4.05 -1.99 -1.15 114.93 117.91 2b3w h MET 72 Ca 0.16 -0.18 -0.04 0.00 -0.28 0.00 0.00 59.70 59.36 2b3w h MET 72 Cb 0.43 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 2b3w h MET 72 CO 0.01 0.72 0.14 0.28 0.23 0.00 0.00 176.91 178.30 2b3w h VAL 73 N 0.65 1.22 -0.58 -5.77 2.07 -1.95 -0.26 116.25 111.64 2b3w h VAL 73 Ca 0.13 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 2b3w h VAL 73 Cb 0.43 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2b3w h VAL 73 CO 0.02 0.26 0.33 0.00 0.02 0.00 0.00 177.57 178.21 2b3w h ALA 74 N 1.00 0.74 -0.76 1.67 0.00 -1.32 -1.89 119.26 118.70 2b3w h ALA 74 Ca 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2b3w h ALA 74 Cb 0.26 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2b3w h ALA 74 CO -0.01 0.23 0.42 0.00 0.00 0.00 0.00 179.25 179.90 2b3w h ALA 75 N 1.16 0.98 -0.17 0.00 0.00 -0.97 -1.26 119.26 119.00 2b3w h ALA 75 Ca 0.21 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2b3w h ALA 75 Cb 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2b3w h ALA 75 CO -0.04 0.49 0.10 -0.09 0.00 0.00 0.00 179.25 179.71 2b3w h ARG 76 N 1.05 0.22 0.00 0.00 1.12 -0.59 -1.14 114.38 115.05 2b3w h ARG 76 Ca 0.27 -0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 59.09 2b3w h ARG 76 Cb 0.03 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 29.94 2b3w h ARG 76 CO -0.04 0.18 -0.16 0.00 -3.11 0.00 0.00 179.97 176.83 2b3w h MET 77 N 0.20 0.00 0.00 0.20 -0.00 -1.21 -2.28 114.93 111.85 2b3w h MET 77 Ca 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.76 2b3w h MET 77 Cb 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.61 2b3w h MET 77 CO -0.01 0.16 -0.02 0.78 -0.00 0.00 0.00 176.91 177.82 2b3w h GLY 78 N 2.16 0.00 -3.24 -3.00 0.00 -0.69 -3.28 103.07 95.02 2b3w h GLY 78 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.11 2b3w h GLY 78 CO 0.02 0.00 0.28 0.54 0.00 0.00 0.00 176.54 177.38 2b3w n ARG 79 N -3.10 1.53 -3.79 4.80 1.74 -0.48 -4.79 116.66 112.56 2b3w n ARG 79 Ca 0.03 -1.05 -0.37 0.00 -0.77 0.00 0.00 57.85 55.69 2b3w n ARG 79 Cb 0.49 -1.41 -0.13 0.00 -1.02 0.00 0.00 32.46 30.39 2b3w n ARG 79 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2b3w s ASP 80 N 0.70 5.20 0.00 0.55 2.15 -1.24 -4.94 116.67 119.09 2b3w s ASP 80 Ca 0.21 -1.21 0.26 0.00 0.43 0.00 0.00 52.55 52.24 2b3w s ASP 80 Cb 0.16 -1.83 0.92 0.00 -0.30 0.00 0.00 42.92 41.88 2b3w s ASP 80 CO 0.00 -0.32 1.67 -1.14 -0.17 0.00 0.00 175.17 175.21 2b3w n ARG 81 N 4.75 1.74 -0.12 4.34 3.00 -1.26 -4.15 116.66 124.97 2b3w n ARG 81 Ca -0.12 -1.09 -0.07 0.00 -0.00 0.00 0.00 57.85 56.57 2b3w n ARG 81 Cb 0.44 -1.47 0.10 0.00 0.00 0.00 0.00 32.46 31.53 2b3w n ARG 81 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2b3w h SER 82 N 2.56 0.83 -3.77 6.15 0.02 -1.99 -3.44 113.55 113.90 2b3w h SER 82 Ca 0.00 -0.26 -0.49 0.00 -0.84 0.00 0.00 61.79 60.20 2b3w h SER 82 Cb 0.55 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 62.87 2b3w h SER 82 CO 0.00 0.96 0.16 -1.59 -1.14 0.00 0.00 176.83 175.22 2b3w s LYS 83 N -4.79 3.79 -0.15 3.45 -2.85 -1.26 -5.01 119.74 112.92 2b3w s LYS 83 Ca -0.10 0.53 -0.29 0.00 -1.00 0.00 0.00 55.97 55.11 2b3w s LYS 83 Cb 0.14 -2.35 -0.03 0.00 -2.06 0.00 0.00 37.83 33.52 2b3w s LYS 83 CO 0.83 -0.09 1.57 -1.25 0.10 0.00 0.00 175.35 176.51 2b3w s PRO 84 N -3.94 4.02 1.06 1.78 0.04 -1.26 -5.01 135.00 131.68 2b3w s PRO 84 Ca 0.52 1.86 -0.16 0.00 0.04 0.00 0.00 61.00 63.26 2b3w s PRO 84 Cb -0.10 -3.97 0.22 0.00 0.04 0.00 0.00 34.50 30.69 2b3w s PRO 84 CO 0.32 -1.02 1.16 -0.51 0.04 0.00 0.00 177.00 176.99 2b3w s LEU 85 N 4.46 1.54 0.37 -3.56 1.43 -1.26 -4.86 118.68 116.80 2b3w s LEU 85 Ca 0.69 0.71 -0.26 0.00 -1.03 0.00 0.00 54.13 54.24 2b3w s LEU 85 Cb -0.27 -2.71 -0.09 0.00 0.03 0.00 0.00 46.19 43.15 2b3w s LEU 85 CO 0.27 -3.33 1.16 -0.13 0.23 0.00 0.00 176.35 174.55 2b3w s ARG 86 N -5.41 4.20 0.27 1.70 0.52 -1.26 -4.92 118.95 114.04 2b3w s ARG 86 Ca 0.69 1.85 -0.01 0.00 -0.52 0.00 0.00 55.73 57.75 2b3w s ARG 86 Cb -0.11 -2.80 0.61 0.00 0.52 0.00 0.00 34.95 33.16 2b3w s ARG 86 CO 0.55 -0.20 1.68 -0.22 0.02 0.00 0.00 175.30 177.13 2b3w h LYS 87 N 2.92 0.28 -0.09 3.54 3.64 -1.98 -2.05 116.57 122.83 2b3w h LYS 87 Ca -0.48 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.84 2b3w h LYS 87 Cb 1.23 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 2b3w h LYS 87 CO 0.64 0.18 -0.27 0.27 -2.27 0.00 0.00 179.45 178.00 2b3w n ASN 88 N -5.15 2.14 -0.24 4.20 0.23 -1.26 -4.74 115.26 110.43 2b3w n ASN 88 Ca 0.18 -3.64 -0.04 0.00 -0.53 0.00 0.00 54.58 50.56 2b3w n ASN 88 Cb 0.58 -0.53 0.07 0.00 -2.08 0.00 0.00 39.78 37.82 2b3w n ASN 88 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2b3w h TRP 89 N 0.82 0.81 0.00 -2.53 -0.00 -1.74 0.20 115.95 113.51 2b3w h TRP 89 Ca 0.04 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.96 2b3w h TRP 89 Cb 1.16 -0.26 0.00 0.00 -0.00 0.00 0.00 29.16 30.06 2b3w h TRP 89 CO 0.63 0.46 0.00 0.93 -0.00 0.00 0.00 178.44 180.46 2b3w h GLU 90 N 0.85 0.00 0.00 2.65 4.39 -1.85 -0.56 114.58 120.05 2b3w h GLU 90 Ca 0.28 0.00 -0.43 0.00 0.34 0.00 0.00 59.36 59.54 2b3w h GLU 90 Cb 0.02 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.60 2b3w h GLU 90 CO -0.11 0.00 -2.40 0.43 -1.16 0.00 0.00 179.01 175.77 2b3w n SER 91 N -2.43 1.95 0.00 1.42 7.64 -0.11 -4.44 113.62 117.66 2b3w n SER 91 Ca -0.00 0.30 0.12 0.00 1.01 0.00 0.00 58.87 60.30 2b3w n SER 91 Cb 0.12 -0.80 0.55 0.00 -1.01 0.00 0.00 64.21 63.08 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 -4.16 0.29 -0.12 0.44 0.24 0.51 -3.83 118.33 111.70 2b3w n VAL 92 Ca -0.51 0.07 -0.07 0.00 -2.04 0.00 0.00 64.34 61.79 2b3w n VAL 92 Cb 0.88 -0.65 -0.01 0.00 -1.47 0.00 0.00 33.84 32.58 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 0.00 -0.23 0.00 7.34 3.64 -1.32 0.61 116.57 126.62 2b3w h LYS 93 Ca 0.00 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2b3w h LYS 93 Cb 0.36 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2b3w h LYS 93 CO 0.00 -0.15 -0.17 0.93 -2.27 0.00 0.00 179.45 177.79 2b3w h GLU 94 N -0.24 0.00 0.02 1.90 5.08 -1.86 -2.74 114.58 116.74 2b3w h GLU 94 Ca 0.18 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.34 2b3w h GLU 94 Cb 0.52 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.79 2b3w h GLU 94 CO -0.53 0.17 -0.77 1.96 -1.00 0.00 0.00 179.01 178.84 2b3w h GLN 95 N 0.00 0.49 -0.02 2.33 4.20 -1.32 -2.31 115.11 118.49 2b3w h GLN 95 Ca -0.00 -0.55 0.00 0.00 0.06 0.00 0.00 58.65 58.16 2b3w h GLN 95 Cb 0.62 0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 2b3w h GLN 95 CO 0.02 1.19 0.01 0.28 -0.67 0.00 0.00 178.83 179.66 2b3w h VAL 96 N 0.03 1.03 -0.13 -0.54 2.07 -0.72 -1.38 116.25 116.60 2b3w h VAL 96 Ca -0.10 -0.07 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 2b3w h VAL 96 Cb 1.47 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 2b3w h VAL 96 CO 0.15 0.02 -0.43 -0.03 0.02 0.00 0.00 177.57 177.30 2b3w h MET 97 N -0.01 0.31 -0.72 1.57 1.85 -1.60 -1.74 114.93 114.59 2b3w h MET 97 Ca 0.01 -0.15 -0.03 0.00 -0.61 0.00 0.00 59.70 58.91 2b3w h MET 97 Cb 0.03 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.02 2b3w h MET 97 CO -0.00 0.69 0.34 -0.09 -0.40 0.00 0.00 176.91 177.45 2b3w h ARG 98 N 0.25 1.03 -0.46 0.39 2.43 -1.13 0.18 114.38 117.07 2b3w h ARG 98 Ca 0.02 -0.15 -0.13 0.00 -0.81 0.00 0.00 59.98 58.91 2b3w h ARG 98 Cb 0.87 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 2b3w h ARG 98 CO 0.07 0.81 -0.22 -0.22 -1.51 0.00 0.00 179.97 178.90 2b3w h LYS 99 N 1.00 0.94 -0.32 0.20 3.64 -1.02 -0.32 116.57 120.70 2b3w h LYS 99 Ca 0.25 -0.40 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 2b3w h LYS 99 Cb 0.12 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2b3w h LYS 99 CO -0.03 1.06 0.17 0.00 -2.27 0.00 0.00 179.45 178.39 2b3w h ALA 100 N 0.93 0.41 -0.71 5.00 0.00 -0.89 -0.66 119.26 123.34 2b3w h ALA 100 Ca 0.11 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2b3w h ALA 100 Cb 0.78 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2b3w h ALA 100 CO 0.06 -0.06 0.22 -0.07 0.00 0.00 0.00 179.25 179.41 2b3w h LEU 101 N 0.40 1.03 -0.35 0.00 3.38 -0.89 -0.24 115.31 118.63 2b3w h LEU 101 Ca 0.11 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2b3w h LEU 101 Cb 0.06 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2b3w h LEU 101 CO -0.02 0.96 0.19 -0.09 0.09 0.00 0.00 178.44 179.57 2b3w h ARG 102 N 1.06 0.37 -0.14 1.13 2.43 -0.59 -1.53 114.38 117.11 2b3w h ARG 102 Ca 0.23 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.27 2b3w h ARG 102 Cb 0.30 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2b3w h ARG 102 CO -0.01 0.25 -0.38 0.00 -1.51 0.00 0.00 179.97 178.31 2b3w h ALA 103 N 1.17 1.08 0.59 2.80 0.00 -0.91 -1.41 119.26 122.58 2b3w h ALA 103 Ca 0.14 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2b3w h ALA 103 Cb 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2b3w h ALA 103 CO -0.09 0.59 -0.48 -0.22 0.00 0.00 0.00 179.25 179.05 2b3w h LYS 104 N 0.26 -1.00 -0.00 0.00 3.64 -0.20 0.88 116.57 120.15 2b3w h LYS 104 Ca 0.03 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2b3w h LYS 104 Cb 0.80 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2b3w h LYS 104 CO 0.06 -0.67 -0.12 1.19 -2.27 0.00 0.00 179.45 177.64 2b3w n PHE 105 N -5.57 0.00 0.02 1.91 3.72 -0.65 -2.57 117.46 114.31 2b3w n PHE 105 Ca -0.13 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.11 2b3w n PHE 105 Cb 0.46 -0.42 -0.14 0.00 -0.94 0.00 0.00 39.48 38.44 2b3w n PHE 105 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2b3w h GLU 106 N 0.02 0.18 0.02 -1.08 4.81 -1.09 -3.34 114.58 114.10 2b3w h GLU 106 Ca 0.00 -0.31 -0.07 0.00 -0.13 0.00 0.00 59.36 58.86 2b3w h GLU 106 Cb 0.49 0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.99 2b3w h GLU 106 CO 0.00 0.96 -0.27 0.37 -0.73 0.00 0.00 179.01 179.34 2b3w h GLN 107 N 0.05 0.15 -5.23 1.92 5.75 -0.83 -3.42 115.11 113.51 2b3w h GLN 107 Ca -0.31 -0.19 -0.67 0.00 -0.15 0.00 0.00 58.65 57.33 2b3w h GLN 107 Cb 2.02 0.06 -0.16 0.00 1.07 0.00 0.00 27.48 30.47 2b3w h GLN 107 CO 0.11 0.98 0.08 -1.01 -2.65 0.00 0.00 178.83 176.34 2b3w s HIS 108 N -2.85 3.06 0.42 3.99 3.76 -1.06 -4.90 115.29 117.70 2b3w s HIS 108 Ca -0.16 -0.24 0.14 0.00 -0.15 0.00 0.00 55.06 54.65 2b3w s HIS 108 Cb 0.00 -3.38 0.91 0.00 1.11 0.00 0.00 32.58 31.22 2b3w s HIS 108 CO 0.74 -0.92 1.93 0.00 -0.85 0.00 0.00 174.74 175.64 2b3w h ALA 109 N 8.92 1.56 -0.35 -1.40 0.00 -1.82 -1.07 119.26 125.10 2b3w h ALA 109 Ca -0.26 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.47 2b3w h ALA 109 Cb 1.10 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 2b3w h ALA 109 CO 0.91 0.31 0.07 0.93 0.00 0.00 0.00 179.25 181.48 2b3w h GLU 110 N 0.00 0.19 -0.06 0.00 3.07 -1.93 0.64 114.58 116.49 2b3w h GLU 110 Ca -0.00 -0.01 -0.21 0.00 -0.50 0.00 0.00 59.36 58.63 2b3w h GLU 110 Cb 0.45 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 2b3w h GLU 110 CO 0.03 0.13 -0.84 -0.07 -1.40 0.00 0.00 179.01 176.86 2b3w h LEU 111 N 0.20 0.62 -0.51 1.33 3.38 -1.77 -2.36 115.31 116.20 2b3w h LEU 111 Ca 0.16 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.70 2b3w h LEU 111 Cb 0.18 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2b3w h LEU 111 CO -0.21 1.22 0.32 -0.09 0.09 0.00 0.00 178.44 179.78 2b3w h ARG 112 N 0.32 0.64 -0.72 1.13 2.43 -0.92 0.33 114.38 117.58 2b3w h ARG 112 Ca -0.06 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.02 2b3w h ARG 112 Cb 1.45 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.83 2b3w h ARG 112 CO 0.15 0.42 0.23 0.00 -1.51 0.00 0.00 179.97 179.26 2b3w h ALA 113 N 1.20 1.04 -0.35 2.80 0.00 -0.81 -0.13 119.26 123.01 2b3w h ALA 113 Ca 0.19 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2b3w h ALA 113 Cb -0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2b3w h ALA 113 CO -0.06 0.65 0.00 1.25 0.00 0.00 0.00 179.25 181.09 2b3w h LEU 114 N 1.07 0.60 0.19 0.00 5.85 -0.95 -1.87 115.31 120.21 2b3w h LEU 114 Ca 0.23 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2b3w h LEU 114 Cb 0.29 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2b3w h LEU 114 CO -0.01 0.76 -0.09 0.25 -0.34 0.00 0.00 178.44 179.01 2b3w h LEU 115 N 0.43 -0.22 -1.74 2.25 5.85 -0.02 -2.73 115.31 119.12 2b3w h LEU 115 Ca 0.10 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2b3w h LEU 115 Cb 0.45 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 2b3w h LEU 115 CO 0.02 -0.14 -0.11 -0.07 -0.34 0.00 0.00 178.44 177.80 2b3w h LEU 116 N -0.28 0.00 -1.58 2.25 4.07 -1.03 -2.00 115.31 116.73 2b3w h LEU 116 Ca -0.03 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.91 2b3w h LEU 116 Cb 0.22 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.95 2b3w h LEU 116 CO 0.04 0.11 -0.11 0.00 -1.08 0.00 0.00 178.44 177.40 2b3w h ALA 117 N 1.89 1.08 -0.18 1.53 0.00 -1.01 -2.92 119.26 119.64 2b3w h ALA 117 Ca -0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 2b3w h ALA 117 Cb 0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2b3w h ALA 117 CO 0.01 0.14 -0.54 1.79 0.00 0.00 0.00 179.25 180.65 2b3w h THR 118 N 0.00 1.32 -2.12 0.00 1.35 -1.32 -3.45 112.91 108.69 2b3w h THR 118 Ca -0.00 -1.78 -0.63 0.00 -0.55 0.00 0.00 66.41 63.44 2b3w h THR 118 Cb 0.51 1.76 0.09 0.00 -1.73 0.00 0.00 68.15 68.78 2b3w h THR 118 CO 0.01 0.55 0.26 0.00 -0.25 0.00 0.00 175.52 176.10 2b3w n ALA 119 N -2.51 -0.49 -1.80 6.62 0.00 -1.11 0.15 120.51 121.37 2b3w n ALA 119 Ca -0.03 0.44 -0.39 0.00 0.00 0.00 0.00 53.44 53.47 2b3w n ALA 119 Cb 0.60 -2.04 0.04 0.00 0.00 0.00 0.00 19.45 18.04 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 1.53 2.72 -2.75 0.00 -0.04 -1.26 -4.99 135.00 130.21 2b3w n PRO 120 Ca 0.13 -3.42 -0.27 0.00 -0.04 0.00 0.00 63.50 59.91 2b3w n PRO 120 Cb 0.27 -2.26 -0.00 0.00 -0.04 0.00 0.00 33.50 31.47 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 -3.93 3.45 0.25 0.55 0.00 0.12 -3.93 121.76 118.28 2b3w s ALA 121 Ca 0.54 -0.59 -0.18 0.00 0.00 0.00 0.00 51.96 51.74 2b3w s ALA 121 Cb 0.45 -2.50 -0.08 0.00 0.00 0.00 0.00 23.12 20.98 2b3w s ALA 121 CO -0.34 -0.32 0.71 0.15 0.00 0.00 0.00 175.76 175.96 2b3w s LYS 122 N -4.68 4.15 -0.32 0.00 1.02 0.20 -4.91 119.74 115.19 2b3w s LYS 122 Ca 0.46 0.77 -0.07 0.00 0.02 0.00 0.00 55.97 57.15 2b3w s LYS 122 Cb -0.10 -2.74 0.02 0.00 -0.52 0.00 0.00 37.83 34.49 2b3w s LYS 122 CO 0.43 0.33 0.10 -0.51 -0.92 0.00 0.00 175.35 174.78 2b3w s LEU 123 N -2.30 4.08 -0.09 3.17 1.43 -1.26 -0.78 118.68 122.93 2b3w s LEU 123 Ca 0.46 -0.89 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 2b3w s LEU 123 Cb -0.14 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.21 2b3w s LEU 123 CO 0.20 -0.25 -0.10 -0.69 0.23 0.00 0.00 176.35 175.73 2b3w s VAL 124 N 1.47 1.10 -0.30 -1.59 1.01 -0.14 -4.26 120.40 117.68 2b3w s VAL 124 Ca 0.01 -0.39 -0.23 0.00 0.00 0.00 0.00 61.98 61.37 2b3w s VAL 124 Cb -0.18 -1.06 -0.00 0.00 0.00 0.00 0.00 36.38 35.14 2b3w s VAL 124 CO 0.03 0.37 0.78 -0.70 0.00 0.00 0.00 175.10 175.57 2b3w s GLU 125 N 1.23 3.97 -1.13 2.72 2.12 -1.26 -0.43 118.70 125.92 2b3w s GLU 125 Ca -0.04 0.58 -0.10 0.00 0.36 0.00 0.00 54.97 55.78 2b3w s GLU 125 Cb -0.14 -3.72 0.26 0.00 0.26 0.00 0.00 34.13 30.79 2b3w s GLU 125 CO -0.03 -0.66 1.17 -1.58 -0.54 0.00 0.00 175.26 173.62 2b3w s HIS 126 N 2.92 4.15 0.28 5.30 5.65 -0.74 -2.73 115.29 130.13 2b3w s HIS 126 Ca 0.32 -2.61 0.06 0.00 0.25 0.00 0.00 55.06 53.09 2b3w s HIS 126 Cb -0.14 -3.92 -0.03 0.00 -1.18 0.00 0.00 32.58 27.31 2b3w s HIS 126 CO 0.12 -1.03 0.32 -0.08 -0.65 0.00 0.00 174.74 173.42 2b3w s THR 127 N -0.80 4.39 -0.00 0.89 -1.32 -1.23 -4.77 115.64 112.79 2b3w s THR 127 Ca 0.33 -1.20 0.01 0.00 -1.21 0.00 0.00 61.69 59.61 2b3w s THR 127 Cb -0.09 -3.48 0.01 0.00 -1.51 0.00 0.00 72.50 67.43 2b3w s THR 127 CO -0.07 -0.27 0.78 1.21 -2.21 0.00 0.00 174.62 174.07 2b3w n GLU 128 N -1.38 0.11 0.10 7.08 2.13 -1.26 -0.96 120.64 126.47 2b3w n GLU 128 Ca -0.05 -0.83 -0.00 0.00 0.66 0.00 0.00 57.16 56.93 2b3w n GLU 128 Cb 0.58 -0.54 -0.02 0.00 0.27 0.00 0.00 31.44 31.73 2b3w n GLU 128 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 2b3w h ASN 129 N 0.00 0.00 -1.13 4.31 -1.24 -1.95 -3.49 115.58 112.07 2b3w h ASN 129 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 56.30 57.13 2b3w h ASN 129 Cb 1.19 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.21 2b3w h ASN 129 CO 0.00 0.62 0.33 -0.90 -1.29 0.00 0.00 177.43 176.20 2b3w n ASP 130 N -3.19 -0.58 -3.55 1.15 5.68 -1.26 -5.11 116.55 109.69 2b3w n ASP 130 Ca -0.01 -1.20 -0.28 0.00 -0.50 0.00 0.00 54.79 52.80 2b3w n ASP 130 Cb 0.80 0.92 -0.12 0.00 -1.14 0.00 0.00 41.12 41.58 2b3w n ASP 130 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2b3w s ALA 131 N -1.43 1.69 -0.18 2.12 0.00 -1.26 -3.83 121.76 118.87 2b3w s ALA 131 Ca 0.12 -2.45 -0.05 0.00 0.00 0.00 0.00 51.96 49.58 2b3w s ALA 131 Cb -0.01 -1.73 0.09 0.00 0.00 0.00 0.00 23.12 21.48 2b3w s ALA 131 CO 0.01 -2.05 0.33 -0.47 0.00 0.00 0.00 175.76 173.57 2b3w s TYR 132 N 0.29 -0.60 0.00 0.00 5.04 -1.26 -4.19 117.35 116.63 2b3w s TYR 132 Ca 0.24 1.00 0.00 0.00 -2.44 0.00 0.00 57.07 55.86 2b3w s TYR 132 Cb -0.12 0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.22 2b3w s TYR 132 CO -0.08 -0.50 0.00 0.91 -1.34 0.00 0.00 175.55 174.53 2b3w n TRP 133 N 5.36 0.00 -4.09 4.97 7.02 -1.01 -4.83 117.44 124.86 2b3w n TRP 133 Ca -0.06 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.32 2b3w n TRP 133 Cb 0.50 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.37 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 0.00 3.76 3.76 6.99 0.00 -1.20 -2.15 105.19 116.36 2b3w n GLY 134 Ca 0.00 -2.25 -0.23 0.00 0.00 0.00 0.00 46.02 43.54 2b3w n GLY 134 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2b3w s ASP 135 N -1.88 4.62 0.00 1.61 -1.08 -1.11 -1.67 116.67 117.16 2b3w s ASP 135 Ca 0.02 -0.92 0.00 0.00 -0.52 0.00 0.00 52.55 51.13 2b3w s ASP 135 Cb -0.00 -0.57 0.00 0.00 -1.46 0.00 0.00 42.92 40.89 2b3w s ASP 135 CO 0.01 -0.49 1.56 0.61 0.52 0.00 0.00 175.17 177.38 2b3w n GLY 136 N -1.27 2.23 2.04 2.66 0.00 -1.25 -3.53 105.19 106.07 2b3w n GLY 136 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 1.14 2.45 0.65 -0.02 0.00 -0.13 -4.80 105.19 104.49 2b3w n GLY 137 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 0.00 0.00 1.61 -0.00 -1.26 -4.95 115.22 108.62 2b3w n HIS 138 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2b3w n HIS 138 Cb 0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 29.99 29.66 2b3w n HIS 138 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2b3w n GLY 139 N 2.43 0.32 1.60 -1.39 0.00 -1.26 -5.07 105.19 101.82 2b3w n GLY 139 Ca -0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 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 0.36 0.03 1.61 4.81 -1.26 -5.06 118.16 118.66 2b3w n LYS 140 Ca 0.00 -0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.03 2b3w n LYS 140 Cb 0.00 0.24 0.00 0.00 0.02 0.00 0.00 35.03 35.29 2b3w n LYS 140 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2b3w n GLY 141 N -0.41 -0.01 0.46 3.14 0.00 -1.26 -4.94 105.19 102.17 2b3w n GLY 141 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 2b3w n GLY 141 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2b3w n LYS 142 N -2.97 0.00 0.00 1.61 4.81 -1.10 -4.87 118.16 115.64 2b3w n LYS 142 Ca 0.00 -0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.24 2b3w n LYS 142 Cb 0.00 0.29 0.00 0.00 0.02 0.00 0.00 35.03 35.34 2b3w n LYS 142 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2b3w n ASN 143 N 0.00 0.00 0.25 3.14 5.15 -0.67 -2.39 115.26 120.74 2b3w n ASN 143 Ca -0.06 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.02 2b3w n ASN 143 Cb 0.31 0.00 0.39 0.00 -0.53 0.00 0.00 39.78 39.94 2b3w n ASN 143 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 2b3w h ARG 144 N 0.00 0.00 -0.50 1.20 9.65 -1.86 0.48 114.38 123.35 2b3w h ARG 144 Ca 0.00 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 58.92 2b3w h ARG 144 Cb 0.00 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.54 2b3w h ARG 144 CO 0.00 0.00 0.26 1.25 2.80 0.00 0.00 179.97 184.28 2b3w h LEU 145 N 0.00 0.38 -1.61 3.80 5.85 -1.54 -0.58 115.31 121.62 2b3w h LEU 145 Ca 0.07 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2b3w h LEU 145 Cb 1.58 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 2b3w h LEU 145 CO -0.00 0.27 -0.06 1.23 -0.34 0.00 0.00 178.44 179.54 2b3w h GLY 146 N 0.51 0.19 1.12 3.75 0.00 -0.21 0.76 103.07 109.20 2b3w h GLY 146 Ca 0.22 -0.10 -0.11 0.00 0.00 0.00 0.00 47.33 47.34 2b3w h GLY 146 CO -0.14 0.09 -0.07 -1.82 0.00 0.00 0.00 176.54 174.60 2b3w h TYR 147 N 0.18 1.15 -0.58 5.60 3.20 -1.34 -0.07 116.97 125.11 2b3w h TYR 147 Ca 0.04 -0.22 -0.04 0.00 3.14 0.00 0.00 58.73 61.65 2b3w h TYR 147 Cb 0.22 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 2b3w h TYR 147 CO 0.00 1.04 0.21 -0.07 -1.64 0.00 0.00 178.16 177.71 2b3w h LEU 148 N 0.93 0.82 -0.43 2.82 3.38 0.17 0.15 115.31 123.15 2b3w h LEU 148 Ca 0.15 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2b3w h LEU 148 Cb 0.64 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2b3w h LEU 148 CO 0.04 0.79 0.27 -0.07 0.09 0.00 0.00 178.44 179.56 2b3w h LEU 149 N 0.81 0.51 -0.62 1.67 3.38 -0.63 0.19 115.31 120.63 2b3w h LEU 149 Ca 0.19 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 2b3w h LEU 149 Cb 0.24 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2b3w h LEU 149 CO -0.01 0.41 -0.14 0.24 0.09 0.00 0.00 178.44 179.03 2b3w h MET 150 N 0.57 0.95 -0.41 1.13 2.86 -0.80 0.14 114.93 119.37 2b3w h MET 150 Ca 0.16 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 2b3w h MET 150 Cb -0.01 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 2b3w h MET 150 CO -0.03 1.02 0.22 1.49 1.06 0.00 0.00 176.91 180.66 2b3w h GLU 151 N 0.84 0.58 -0.66 1.72 4.81 -0.37 -0.97 114.58 120.54 2b3w h GLU 151 Ca 0.13 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 2b3w h GLU 151 Cb 0.68 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 2b3w h GLU 151 CO 0.05 0.48 0.14 1.25 -0.73 0.00 0.00 179.01 180.20 2b3w h LEU 152 N 0.53 0.99 -0.19 1.64 5.85 -0.46 -1.71 115.31 121.97 2b3w h LEU 152 Ca 0.14 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.69 2b3w h LEU 152 Cb 0.08 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 2b3w h LEU 152 CO -0.02 0.97 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.93 2b3w h ARG 153 N 0.99 0.02 -0.55 1.25 2.43 -0.29 0.11 114.38 118.35 2b3w h ARG 153 Ca 0.21 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 2b3w h ARG 153 Cb 0.38 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 2b3w h ARG 153 CO 0.00 0.01 0.24 0.93 -1.51 0.00 0.00 179.97 179.65 2b3w h GLU 154 N 0.02 0.78 0.56 0.20 4.39 -0.98 0.86 114.58 120.41 2b3w h GLU 154 Ca 0.09 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 2b3w h GLU 154 Cb 0.13 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2b3w h GLU 154 CO -0.18 0.63 -0.27 0.37 -1.16 0.00 0.00 179.01 178.41 2b3w h GLN 155 N 0.78 -0.72 0.00 2.33 4.15 -0.51 -2.56 115.11 118.58 2b3w h GLN 155 Ca 0.19 0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.61 2b3w h GLN 155 Cb 0.13 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 2b3w h GLN 155 CO -0.02 -0.44 -0.23 -0.07 -1.93 0.00 0.00 178.83 176.14 2b3w h LEU 156 N -0.86 0.00 0.21 -2.39 3.38 -0.51 0.52 115.31 115.67 2b3w h LEU 156 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2b3w h LEU 156 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2b3w h LEU 156 CO 0.13 0.23 -0.10 0.00 0.09 0.00 0.00 178.44 178.78 2b3w h ALA 157 N 1.77 -0.28 -0.15 1.53 0.00 -0.80 -0.75 119.26 120.58 2b3w h ALA 157 Ca -0.00 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 2b3w h ALA 157 Cb 0.62 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2b3w h ALA 157 CO 0.03 -0.59 -0.72 0.82 0.00 0.00 0.00 179.25 178.79 2b3w h ILE 158 N -0.42 1.31 -0.36 0.00 2.04 -0.96 -0.09 117.51 119.03 2b3w h ILE 158 Ca -0.03 -1.97 0.04 0.00 1.00 0.00 0.00 64.86 63.89 2b3w h ILE 158 Cb 0.32 1.95 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 2b3w h ILE 158 CO 0.05 0.62 0.15 -0.08 0.00 0.00 0.00 178.15 178.88 2b3w h GLU 159 N 0.48 0.30 0.00 2.37 4.81 0.00 -0.70 114.58 121.84 2b3w h GLU 159 Ca -0.03 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2b3w h GLU 159 Cb 1.32 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2b3w h GLU 159 CO 0.14 0.20 0.00 1.17 -0.73 0.00 0.00 179.01 179.79 2b3w n LYS 160 N -4.99 0.24 0.23 1.92 4.81 -0.29 -2.97 118.16 117.12 2b3w n LYS 160 Ca 0.01 0.21 0.13 0.00 -0.87 0.00 0.00 58.31 57.79 2b3w n LYS 160 Cb 0.12 -1.78 0.32 0.00 0.02 0.00 0.00 35.03 33.71 2b3w n LYS 160 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2b3w h LEU 161 N 0.00 0.00 0.00 3.14 5.85 0.48 -2.88 115.31 121.90 2b3w h LEU 161 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2b3w h LEU 161 Cb 0.71 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2b3w h LEU 161 CO 0.00 0.04 0.00 -0.62 -0.34 0.00 0.00 178.44 177.52 2b3w n GLU 162 N -3.12 0.35 0.21 1.25 1.02 -0.76 -1.55 120.64 118.04 2b3w n GLU 162 Ca 0.03 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.31 2b3w n GLU 162 Cb 0.47 -1.50 0.73 0.00 -0.02 0.00 0.00 31.44 31.13 2b3w n GLU 162 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 2b3w h HIS 163 N 0.00 0.00 -1.63 -0.32 2.07 -1.73 -3.26 115.15 110.28 2b3w h HIS 163 Ca 0.00 0.00 -0.74 0.00 -2.85 0.00 0.00 60.37 56.78 2b3w h HIS 163 Cb 0.00 0.00 -0.15 0.00 2.57 0.00 0.00 27.41 29.83 2b3w h HIS 163 CO 0.00 0.00 1.79 1.58 -3.07 0.00 0.00 177.93 178.23 2b3w n HIS 164 N -2.50 4.05 -2.28 6.12 -0.00 -0.60 -4.98 115.22 115.03 2b3w n HIS 164 Ca -0.01 -3.07 -0.42 0.00 -0.00 0.00 0.00 57.72 54.22 2b3w n HIS 164 Cb 0.09 -2.15 -0.03 0.00 -0.00 0.00 0.00 29.99 27.90 2b3w n HIS 164 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2b3w s HIS 165 N 1.37 3.01 0.00 1.57 2.46 -1.23 -4.54 115.29 117.93 2b3w s HIS 165 Ca 0.43 0.95 0.00 0.00 0.47 0.00 0.00 55.06 56.91 2b3w s HIS 165 Cb 0.04 -3.59 0.00 0.00 -0.13 0.00 0.00 32.58 28.89 2b3w s HIS 165 CO 0.00 -2.11 0.00 1.58 -2.47 0.00 0.00 174.74 171.75 2b3w n HIS 166 N 5.07 0.00 0.00 3.88 -0.00 -1.26 -4.28 115.22 118.63 2b3w n HIS 166 Ca 0.12 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.30 2b3w n HIS 166 Cb 0.44 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.31 2b3w n HIS 166 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2b3w n HIS 167 N 0.00 0.00 -0.13 1.57 -0.00 -1.26 -5.24 115.22 110.15 2b3w n HIS 167 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2b3w n HIS 167 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2b3w n HIS 167 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38