#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 3.93 -0.34 3.17 0.04 -1.26 -5.06 135.00 135.48 2b3w s PRO 2 Ca 0.00 0.52 -0.01 0.00 0.04 0.00 0.00 61.00 61.55 2b3w s PRO 2 Cb 0.00 -2.51 0.19 0.00 0.04 0.00 0.00 34.50 32.22 2b3w s PRO 2 CO 0.00 0.21 0.82 0.54 0.04 0.00 0.00 177.00 178.60 2b3w s VAL 3 N -1.93 -0.64 -0.53 -0.36 0.11 -1.26 -5.04 120.40 110.75 2b3w s VAL 3 Ca 0.52 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.58 2b3w s VAL 3 Cb -0.11 -0.28 0.48 0.00 -1.53 0.00 0.00 36.38 34.95 2b3w s VAL 3 CO 0.19 0.00 1.79 -1.14 -3.33 0.00 0.00 175.10 172.61 2b3w n ARG 4 N 4.60 2.76 0.00 1.54 0.63 -1.26 -4.74 116.66 120.19 2b3w n ARG 4 Ca 0.08 -3.44 0.00 0.00 -0.92 0.00 0.00 57.85 53.57 2b3w n ARG 4 Cb 0.58 -2.23 0.00 0.00 0.45 0.00 0.00 32.46 31.26 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 -0.92 2.42 -1.48 5.13 0.00 -1.26 -3.35 120.51 121.05 2b3w n ALA 5 Ca 0.56 0.00 0.07 0.00 0.00 0.00 0.00 53.44 54.07 2b3w n ALA 5 Cb 0.89 -1.00 0.16 0.00 0.00 0.00 0.00 19.45 19.49 2b3w n ALA 5 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2b3w n GLN 6 N 0.51 1.27 -0.00 0.00 6.02 -1.26 -4.76 117.38 119.15 2b3w n GLN 6 Ca 0.00 -2.80 -0.11 0.00 -0.01 0.00 0.00 57.00 54.08 2b3w n GLN 6 Cb 0.45 -1.40 -0.09 0.00 1.02 0.00 0.00 30.24 30.22 2b3w n GLN 6 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2b3w h ARG 7 N 0.55 -0.09 -4.65 -1.09 9.65 -1.99 -3.42 114.38 113.34 2b3w h ARG 7 Ca -0.02 0.01 -0.70 0.00 -1.10 0.00 0.00 59.98 58.17 2b3w h ARG 7 Cb 1.09 0.02 -0.25 0.00 -1.39 0.00 0.00 29.97 29.44 2b3w h ARG 7 CO 0.01 0.47 -0.54 0.42 2.80 0.00 0.00 179.97 183.13 2b3w s ILE 8 N -3.05 4.40 -1.05 1.20 1.01 -1.26 -5.03 121.20 117.42 2b3w s ILE 8 Ca -0.14 -0.83 -0.17 0.00 0.00 0.00 0.00 60.65 59.51 2b3w s ILE 8 Cb -0.00 -3.42 0.15 0.00 0.01 0.00 0.00 42.46 39.19 2b3w s ILE 8 CO 0.53 -0.16 1.26 -1.58 0.00 0.00 0.00 174.94 174.99 2b3w s GLN 9 N 1.53 3.81 0.13 2.79 0.74 -1.26 -4.80 119.66 122.60 2b3w s GLN 9 Ca 0.02 -2.11 0.00 0.00 0.05 0.00 0.00 55.36 53.32 2b3w s GLN 9 Cb -0.19 -4.98 0.00 0.00 1.10 0.00 0.00 33.01 28.94 2b3w s GLN 9 CO 0.06 -1.77 0.00 1.58 -0.55 0.00 0.00 175.29 174.60 2b3w n HIS 10 N 6.19 -3.82 -1.15 1.67 -0.00 -1.26 -4.97 115.22 111.88 2b3w n HIS 10 Ca 0.30 2.30 -0.30 0.00 -0.00 0.00 0.00 57.72 60.01 2b3w n HIS 10 Cb 0.46 -3.33 0.13 0.00 -0.00 0.00 0.00 29.99 27.25 2b3w n HIS 10 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2b3w s VAL 11 N -0.41 2.80 0.00 3.57 -7.23 -1.18 -5.03 120.40 112.92 2b3w s VAL 11 Ca 0.00 0.26 0.00 0.00 -1.81 0.00 0.00 61.98 60.43 2b3w s VAL 11 Cb 0.00 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.25 2b3w s VAL 11 CO 0.00 -0.34 0.00 0.23 -0.31 0.00 0.00 175.10 174.68 2b3w n MET 12 N -3.84 0.00 -3.36 4.82 0.00 -1.26 -4.79 117.12 108.69 2b3w n MET 12 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.80 2b3w n MET 12 Cb 0.54 -0.47 -0.04 0.00 0.00 0.00 0.00 33.22 33.25 2b3w n MET 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 2b3w s GLN 13 N -0.01 0.25 -0.33 0.03 2.00 -1.26 -4.89 119.66 115.45 2b3w s GLN 13 Ca 0.00 0.62 -0.03 0.00 -2.00 0.00 0.00 55.36 53.95 2b3w s GLN 13 Cb 0.00 0.37 0.00 0.00 0.80 0.00 0.00 33.01 34.19 2b3w s GLN 13 CO 0.00 -0.09 0.11 -3.47 -0.50 0.00 0.00 175.29 171.34 2b3w n ASP 14 N 4.92 -8.02 -3.78 6.67 2.03 -1.26 -5.05 116.55 112.07 2b3w n ASP 14 Ca -0.09 1.26 -0.25 0.00 0.52 0.00 0.00 54.79 56.23 2b3w n ASP 14 Cb 0.53 -5.30 -0.17 0.00 -0.72 0.00 0.00 41.12 35.46 2b3w n ASP 14 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2b3w s THR 15 N -1.81 0.51 -0.69 5.18 2.01 -1.26 -4.98 115.64 114.59 2b3w s THR 15 Ca 0.05 -0.14 -0.25 0.00 0.31 0.00 0.00 61.69 61.66 2b3w s THR 15 Cb -0.01 -0.75 0.04 0.00 0.01 0.00 0.00 72.50 71.79 2b3w s THR 15 CO 0.77 0.13 1.15 -0.63 -0.69 0.00 0.00 174.62 175.36 2b3w s ILE 16 N 1.90 3.97 -0.47 1.82 1.09 -1.26 -0.03 121.20 128.23 2b3w s ILE 16 Ca 0.03 0.19 -0.22 0.00 -1.10 0.00 0.00 60.65 59.55 2b3w s ILE 16 Cb -0.14 -4.81 0.03 0.00 -1.06 0.00 0.00 42.46 36.49 2b3w s ILE 16 CO -0.06 -1.65 0.75 -0.63 -0.10 0.00 0.00 174.94 173.24 2b3w s ILE 17 N 5.05 4.69 -0.49 2.92 1.01 0.05 -4.96 121.20 129.46 2b3w s ILE 17 Ca 0.31 0.20 -0.20 0.00 0.00 0.00 0.00 60.65 60.96 2b3w s ILE 17 Cb -0.11 -4.32 0.05 0.00 0.01 0.00 0.00 42.46 38.09 2b3w s ILE 17 CO 0.14 -0.76 0.66 0.20 0.00 0.00 0.00 174.94 175.19 2b3w s ASN 18 N 2.28 6.26 0.10 3.58 0.02 -1.24 -1.54 114.94 124.40 2b3w s ASN 18 Ca 0.26 -0.71 0.03 0.00 -1.02 0.00 0.00 52.86 51.42 2b3w s ASN 18 Cb -0.14 -2.31 -0.04 0.00 0.02 0.00 0.00 41.25 38.78 2b3w s ASN 18 CO 0.20 -0.90 0.11 0.72 0.02 0.00 0.00 177.10 177.24 2b3w s PHE 19 N 2.82 3.21 -0.25 2.20 -0.71 -0.84 -4.93 117.98 119.48 2b3w s PHE 19 Ca 0.18 0.07 -0.02 0.00 -1.04 0.00 0.00 56.93 56.12 2b3w s PHE 19 Cb -0.17 -1.60 0.13 0.00 -1.21 0.00 0.00 43.02 40.16 2b3w s PHE 19 CO 0.14 0.52 0.35 -0.47 -1.34 0.00 0.00 175.22 174.43 2b3w s TYR 20 N -1.49 -0.73 0.15 3.49 5.04 -1.26 -2.66 117.35 119.88 2b3w s TYR 20 Ca 0.30 0.60 0.00 0.00 -2.44 0.00 0.00 57.07 55.53 2b3w s TYR 20 Cb -0.12 -0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.09 2b3w s TYR 20 CO 0.23 -0.75 0.00 0.43 -1.34 0.00 0.00 175.55 174.12 2b3w n SER 21 N 5.35 -2.80 -0.13 4.32 7.64 -1.26 -4.47 113.62 122.26 2b3w n SER 21 Ca -0.03 0.32 0.11 0.00 1.01 0.00 0.00 58.87 60.28 2b3w n SER 21 Cb 0.50 -1.50 0.60 0.00 -1.01 0.00 0.00 64.21 62.80 2b3w n SER 21 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2b3w n THR 22 N -2.97 0.04 0.81 0.44 -2.24 -1.26 -4.03 114.28 105.06 2b3w n THR 22 Ca -0.01 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2b3w n THR 22 Cb 0.22 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 2b3w n THR 22 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2b3w n SER 23 N -0.57 1.35 -3.67 3.42 3.41 -1.26 -4.69 113.62 111.62 2b3w n SER 23 Ca 0.17 -1.61 -0.10 0.00 -0.26 0.00 0.00 58.87 57.07 2b3w n SER 23 Cb 0.14 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 63.66 2b3w n SER 23 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2b3w s ASP 24 N 0.21 -0.33 0.35 4.04 -1.08 -1.26 -4.98 116.67 113.62 2b3w s ASP 24 Ca 0.00 -0.36 0.03 0.00 -0.52 0.00 0.00 52.55 51.69 2b3w s ASP 24 Cb 0.00 0.59 0.63 0.00 -1.46 0.00 0.00 42.92 42.68 2b3w s ASP 24 CO 0.00 -1.04 1.97 0.44 0.52 0.00 0.00 175.17 177.05 2b3w h ASP 25 N 2.15 0.65 0.17 -0.34 5.19 -1.93 0.11 116.42 122.42 2b3w h ASP 25 Ca -0.29 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.07 2b3w h ASP 25 Cb 1.27 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.62 2b3w h ASP 25 CO 0.37 0.54 0.00 -1.22 -3.12 0.00 0.00 179.24 175.81 2b3w n TYR 26 N -4.39 0.00 1.13 4.55 4.01 -1.26 -2.95 117.16 118.25 2b3w n TYR 26 Ca 0.05 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.89 2b3w n TYR 26 Cb 0.11 -0.10 0.58 0.00 -0.31 0.00 0.00 39.34 39.62 2b3w n TYR 26 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2b3w n GLY 27 N 0.85 -0.92 0.25 2.72 0.00 0.38 -2.34 105.19 106.13 2b3w n GLY 27 Ca 0.18 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 0.64 1.61 3.58 -1.68 -2.16 116.42 118.42 2b3w h ASP 28 Ca 0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 2b3w h ASP 28 Cb 0.15 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 2b3w h ASP 28 CO 0.00 0.13 -0.21 -0.26 -2.88 0.00 0.00 179.24 176.02 2b3w h PHE 29 N 0.00 0.00 -3.41 0.28 -1.00 -1.75 -3.43 116.94 107.64 2b3w h PHE 29 Ca -0.00 0.00 -0.52 0.00 2.81 0.00 0.00 57.97 60.26 2b3w h PHE 29 Cb 0.54 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.12 2b3w h PHE 29 CO 0.00 0.21 0.59 -1.12 -1.61 0.00 0.00 178.31 176.37 2b3w s SER 30 N -6.24 7.03 0.62 2.17 0.01 -0.81 -4.90 113.70 111.57 2b3w s SER 30 Ca -0.01 2.25 0.30 0.00 1.31 0.00 0.00 55.95 59.81 2b3w s SER 30 Cb 0.12 -2.60 1.67 0.00 0.21 0.00 0.00 66.02 65.42 2b3w s SER 30 CO 0.62 -0.43 2.02 -0.55 0.41 0.00 0.00 173.24 175.31 2b3w h ASN 31 N 5.52 0.00 0.14 2.44 7.08 -1.86 -0.02 115.58 128.89 2b3w h ASN 31 Ca -0.44 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 52.77 2b3w h ASN 31 Cb 1.21 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.46 2b3w h ASN 31 CO 0.76 0.00 -0.07 0.15 -2.08 0.00 0.00 177.43 176.20 2b3w h PHE 32 N 0.00 -0.18 -0.08 4.14 3.57 -1.90 -3.12 116.94 119.37 2b3w h PHE 32 Ca 0.09 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2b3w h PHE 32 Cb 0.67 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.47 2b3w h PHE 32 CO 0.00 0.26 0.00 0.00 -2.23 0.00 0.00 178.31 176.34 2b3w n ALA 33 N -2.47 0.00 -2.01 2.41 0.00 -0.02 -4.27 120.51 114.14 2b3w n ALA 33 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.34 2b3w n ALA 33 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.70 2b3w n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b3w n ALA 34 N 1.70 2.43 -3.28 0.00 0.00 -1.26 -4.95 120.51 115.14 2b3w n ALA 34 Ca 0.00 -0.31 -0.34 0.00 0.00 0.00 0.00 53.44 52.80 2b3w n ALA 34 Cb 0.00 -0.14 -0.14 0.00 0.00 0.00 0.00 19.45 19.17 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 0.00 2.89 0.43 0.00 0.52 -1.26 -4.97 118.94 116.56 2b3w s TRP 35 Ca 0.01 -0.77 -0.25 0.00 0.02 0.00 0.00 56.10 55.11 2b3w s TRP 35 Cb 0.01 -1.96 -0.08 0.00 -1.15 0.00 0.00 33.47 30.29 2b3w s TRP 35 CO -0.00 -0.35 1.33 -2.14 0.02 0.00 0.00 176.95 175.80 2b3w s PRO 36 N 0.84 3.82 0.16 4.98 0.02 -1.06 -3.97 135.00 139.78 2b3w s PRO 36 Ca -0.03 2.20 0.10 0.00 0.02 0.00 0.00 61.00 63.29 2b3w s PRO 36 Cb -0.15 -2.67 -0.04 0.00 0.02 0.00 0.00 34.50 31.66 2b3w s PRO 36 CO 0.01 -0.63 -0.23 0.96 -0.33 0.00 0.00 177.00 176.78 2b3w s ILE 37 N -1.27 2.12 -0.47 2.83 -4.36 0.12 -4.90 121.20 115.27 2b3w s ILE 37 Ca 0.59 -1.88 0.00 0.00 -0.26 0.00 0.00 60.65 59.11 2b3w s ILE 37 Cb -0.39 -1.95 0.12 0.00 1.25 0.00 0.00 42.46 41.49 2b3w s ILE 37 CO 0.50 -0.11 0.24 -0.75 0.24 0.00 0.00 174.94 175.05 2b3w s LYS 38 N -2.47 2.01 -0.27 0.37 2.47 -1.26 -0.37 119.74 120.23 2b3w s LYS 38 Ca 0.16 -2.19 -0.07 0.00 -1.56 0.00 0.00 55.97 52.31 2b3w s LYS 38 Cb -0.08 -3.47 -0.01 0.00 -1.46 0.00 0.00 37.83 32.81 2b3w s LYS 38 CO 0.08 -1.07 0.06 0.08 0.16 0.00 0.00 175.35 174.66 2b3w s VAL 39 N 0.46 4.04 0.00 4.02 1.01 -0.13 -4.44 120.40 125.37 2b3w s VAL 39 Ca 0.13 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2b3w s VAL 39 Cb -0.22 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.18 2b3w s VAL 39 CO -0.04 0.22 0.00 -0.67 0.00 0.00 0.00 175.10 174.61 2b3w n ASP 40 N 4.88 -2.32 0.00 3.32 2.03 -1.26 -0.43 116.55 122.78 2b3w n ASP 40 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 2b3w n ASP 40 Cb 0.50 -1.75 0.00 0.00 -0.72 0.00 0.00 41.12 39.15 2b3w n ASP 40 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2b3w n GLY 41 N -1.41 0.55 3.67 0.27 0.00 -1.26 -5.08 105.19 101.94 2b3w n GLY 41 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.77 4.18 -0.48 1.61 1.02 0.43 -5.04 119.74 120.70 2b3w s LYS 42 Ca 0.00 0.21 -0.27 0.00 0.02 0.00 0.00 55.97 55.93 2b3w s LYS 42 Cb 0.00 -3.53 0.03 0.00 -0.52 0.00 0.00 37.83 33.81 2b3w s LYS 42 CO 0.00 -0.03 1.03 0.99 -0.92 0.00 0.00 175.35 176.41 2b3w s THR 43 N 1.29 4.34 -0.20 2.17 2.01 -1.26 -0.95 115.64 123.03 2b3w s THR 43 Ca 0.19 0.93 -0.09 0.00 0.31 0.00 0.00 61.69 63.04 2b3w s THR 43 Cb -0.15 -4.52 -0.05 0.00 0.01 0.00 0.00 72.50 67.79 2b3w s THR 43 CO 0.08 -0.94 0.10 0.26 -0.69 0.00 0.00 174.62 173.43 2b3w s TRP 44 N 4.11 3.32 0.63 4.92 0.52 0.50 -4.95 118.94 127.99 2b3w s TRP 44 Ca 0.42 0.18 0.30 0.00 0.02 0.00 0.00 56.10 57.02 2b3w s TRP 44 Cb -0.09 -2.14 1.62 0.00 -1.15 0.00 0.00 33.47 31.71 2b3w s TRP 44 CO 0.28 0.18 1.96 -1.35 0.02 0.00 0.00 176.95 178.04 2b3w h PRO 45 N 6.83 0.00 -1.39 4.98 0.11 -1.86 0.35 132.00 141.02 2b3w h PRO 45 Ca -0.39 0.00 0.39 0.00 0.11 0.00 0.00 66.00 66.12 2b3w h PRO 45 Cb 1.16 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.15 2b3w h PRO 45 CO 0.72 0.00 0.98 -0.08 -0.21 0.00 0.00 178.00 179.41 2b3w s THR 46 N -4.33 0.00 0.44 -1.15 -1.32 -1.25 -2.58 115.64 105.44 2b3w s THR 46 Ca -0.04 -0.03 0.10 0.00 -1.21 0.00 0.00 61.69 60.51 2b3w s THR 46 Cb 0.12 -2.34 0.25 0.00 -1.51 0.00 0.00 72.50 69.02 2b3w s THR 46 CO 0.40 0.00 2.06 0.77 -2.21 0.00 0.00 174.62 175.64 2b3w h SER 47 N 2.00 0.30 -0.83 8.08 4.64 -1.76 -1.73 113.55 124.24 2b3w h SER 47 Ca -0.29 -0.02 0.18 0.00 -0.47 0.00 0.00 61.79 61.19 2b3w h SER 47 Cb 1.19 -0.07 -0.11 0.00 -0.31 0.00 0.00 62.40 63.09 2b3w h SER 47 CO 0.30 0.25 0.36 -0.08 -0.87 0.00 0.00 176.83 176.79 2b3w h GLU 48 N 0.34 0.44 -0.01 4.77 4.22 -1.72 -0.82 114.58 121.80 2b3w h GLU 48 Ca 0.09 -0.03 -0.10 0.00 0.08 0.00 0.00 59.36 59.41 2b3w h GLU 48 Cb 0.03 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2b3w h GLU 48 CO -0.01 0.29 -0.45 0.45 -2.18 0.00 0.00 179.01 177.10 2b3w h HIS 49 N 0.46 0.01 0.00 0.92 3.86 -1.67 -0.35 115.15 118.38 2b3w h HIS 49 Ca 0.49 -0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.51 2b3w h HIS 49 Cb 0.81 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.26 2b3w h HIS 49 CO -0.15 0.47 -0.84 -0.92 0.86 0.00 0.00 177.93 177.35 2b3w h TYR 50 N 0.01 0.17 0.19 2.45 3.20 -1.33 -1.17 116.97 120.50 2b3w h TYR 50 Ca -0.00 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 2b3w h TYR 50 Cb 0.81 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.06 2b3w h TYR 50 CO 0.00 0.90 -0.09 0.35 -1.64 0.00 0.00 178.16 177.68 2b3w h PHE 51 N 0.06 -0.24 -0.70 -3.82 3.57 -0.33 -2.08 116.94 113.41 2b3w h PHE 51 Ca -0.03 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 2b3w h PHE 51 Cb 1.47 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 40.26 2b3w h PHE 51 CO 0.02 0.00 0.25 1.96 -2.23 0.00 0.00 178.31 178.31 2b3w h GLN 52 N -0.46 1.07 0.00 1.11 7.50 -1.12 0.08 115.11 123.29 2b3w h GLN 52 Ca -0.03 -0.21 -0.06 0.00 0.50 0.00 0.00 58.65 58.86 2b3w h GLN 52 Cb 0.35 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 27.71 2b3w h GLN 52 CO 0.04 0.90 -0.27 0.00 -1.50 0.00 0.00 178.83 178.00 2b3w h ALA 53 N 1.12 1.32 -0.01 3.87 0.00 -1.17 -2.32 119.26 122.07 2b3w h ALA 53 Ca 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2b3w h ALA 53 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2b3w h ALA 53 CO -0.01 0.34 -0.70 1.04 0.00 0.00 0.00 179.25 179.92 2b3w n GLN 54 N -3.88 0.76 -0.29 0.00 3.00 -0.79 -4.31 117.38 111.88 2b3w n GLN 54 Ca -0.02 -0.54 -0.05 0.00 -0.01 0.00 0.00 57.00 56.39 2b3w n GLN 54 Cb 0.35 -1.47 0.09 0.00 0.00 0.00 0.00 30.24 29.22 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 1.31 1.18 -6.19 -1.09 3.64 -0.38 -3.43 116.57 111.59 2b3w h LYS 55 Ca 0.00 -0.18 -0.51 0.00 -1.27 0.00 0.00 60.65 58.68 2b3w h LYS 55 Cb 0.63 -0.21 -0.06 0.00 -0.41 0.00 0.00 32.23 32.18 2b3w h LYS 55 CO 0.00 0.92 -0.54 -0.06 -2.27 0.00 0.00 179.45 177.50 2b3w s PHE 56 N -5.62 3.00 -0.36 1.91 0.08 -1.24 -3.97 117.98 111.78 2b3w s PHE 56 Ca -0.12 -0.16 0.04 0.00 0.12 0.00 0.00 56.93 56.81 2b3w s PHE 56 Cb 0.16 -1.42 0.54 0.00 -0.57 0.00 0.00 43.02 41.73 2b3w s PHE 56 CO 0.83 0.49 1.70 1.47 -0.10 0.00 0.00 175.22 179.61 2b3w n LEU 57 N -1.15 5.82 -4.43 -0.37 -0.00 -1.22 -4.88 117.00 110.77 2b3w n LEU 57 Ca -0.07 -3.08 -0.44 0.00 -0.00 0.00 0.00 56.01 52.43 2b3w n LEU 57 Cb 0.58 -0.75 -0.08 0.00 -0.00 0.00 0.00 43.42 43.17 2b3w n LEU 57 CO 0.42 0.89 0.13 -0.62 -0.00 0.00 0.00 177.39 178.21 2b3w s ASP 58 N -0.79 6.18 0.29 1.45 -1.08 -1.26 -4.94 116.67 116.52 2b3w s ASP 58 Ca 0.45 -1.05 0.01 0.00 -0.52 0.00 0.00 52.55 51.44 2b3w s ASP 58 Cb 0.37 -2.22 0.45 0.00 -1.46 0.00 0.00 42.92 40.07 2b3w s ASP 58 CO 0.09 -0.69 1.81 -0.33 0.52 0.00 0.00 175.17 176.57 2b3w h GLU 59 N 8.81 0.66 -0.18 4.34 3.07 -1.95 -2.43 114.58 126.90 2b3w h GLU 59 Ca -0.28 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 58.41 2b3w h GLU 59 Cb 1.11 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.92 2b3w h GLU 59 CO 0.88 0.69 0.06 -0.22 -1.40 0.00 0.00 179.01 179.01 2b3w h LYS 60 N 0.63 0.28 0.00 2.33 3.64 -2.00 -2.48 116.57 118.97 2b3w h LYS 60 Ca 0.13 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.36 2b3w h LYS 60 Cb 0.40 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2b3w h LYS 60 CO 0.02 0.38 -0.42 1.88 -2.27 0.00 0.00 179.45 179.04 2b3w h TYR 61 N 0.13 0.00 -0.77 1.91 0.05 -1.96 -1.41 116.97 114.92 2b3w h TYR 61 Ca 0.06 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 2b3w h TYR 61 Cb 0.21 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.92 2b3w h TYR 61 CO -0.00 0.42 0.46 -0.09 -1.05 0.00 0.00 178.16 177.89 2b3w h ARG 62 N 0.00 1.05 -0.62 4.88 2.43 -1.15 0.60 114.38 121.57 2b3w h ARG 62 Ca -0.00 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 58.98 2b3w h ARG 62 Cb 0.76 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2b3w h ARG 62 CO 0.05 0.75 0.04 0.93 -1.51 0.00 0.00 179.97 180.23 2b3w h GLU 63 N 1.05 1.05 -0.07 0.20 5.08 -0.97 -2.39 114.58 118.53 2b3w h GLU 63 Ca 0.27 -0.31 -0.21 0.00 -1.00 0.00 0.00 59.36 58.11 2b3w h GLU 63 Cb -0.03 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.12 2b3w h GLU 63 CO -0.05 1.00 -0.82 1.49 -1.00 0.00 0.00 179.01 179.63 2b3w h GLU 64 N 0.97 0.54 -0.27 2.33 4.81 -0.46 -1.58 114.58 120.92 2b3w h GLU 64 Ca 0.18 -0.48 -0.04 0.00 -0.13 0.00 0.00 59.36 58.88 2b3w h GLU 64 Cb 0.51 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 2b3w h GLU 64 CO 0.02 1.11 -0.02 0.82 -0.73 0.00 0.00 179.01 180.22 2b3w h ILE 65 N 0.35 1.18 0.00 2.32 1.08 0.20 -1.52 117.51 121.11 2b3w h ILE 65 Ca -0.06 -0.70 -0.07 0.00 -0.39 0.00 0.00 64.86 63.64 2b3w h ILE 65 Cb 1.43 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 36.17 2b3w h ILE 65 CO 0.15 0.24 -0.35 -0.09 -0.69 0.00 0.00 178.15 177.41 2b3w h ARG 66 N 0.40 0.00 -0.12 2.37 1.12 -1.06 -3.10 114.38 114.00 2b3w h ARG 66 Ca 0.09 0.00 -0.13 0.00 -1.11 0.00 0.00 59.98 58.83 2b3w h ARG 66 Cb 0.30 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.24 2b3w h ARG 66 CO 0.01 0.35 -0.49 0.00 -3.11 0.00 0.00 179.97 176.73 2b3w h ARG 67 N 0.00 0.30 -5.88 0.20 3.08 -0.27 -3.44 114.38 108.36 2b3w h ARG 67 Ca -0.00 -0.17 -0.59 0.00 0.07 0.00 0.00 59.98 59.29 2b3w h ARG 67 Cb 0.93 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.93 2b3w h ARG 67 CO 0.05 0.73 -0.16 0.14 -1.07 0.00 0.00 179.97 179.65 2b3w s VAL 68 N -4.00 5.08 -0.23 2.04 -7.23 -1.10 -4.95 120.40 110.01 2b3w s VAL 68 Ca -0.05 0.92 0.21 0.00 -1.81 0.00 0.00 61.98 61.26 2b3w s VAL 68 Cb 0.13 -3.78 0.01 0.00 0.56 0.00 0.00 36.38 33.29 2b3w s VAL 68 CO 0.79 0.45 1.07 0.77 -0.31 0.00 0.00 175.10 177.87 2b3w h SER 69 N 5.72 0.00 -3.23 4.85 4.64 -1.85 -3.45 113.55 120.23 2b3w h SER 69 Ca -0.46 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.31 2b3w h SER 69 Cb 1.20 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.26 2b3w h SER 69 CO 0.69 0.13 0.58 -0.55 -0.87 0.00 0.00 176.83 176.81 2b3w s SER 70 N -5.56 7.20 0.24 4.97 0.15 -1.26 -4.82 113.70 114.61 2b3w s SER 70 Ca -0.00 1.65 0.05 0.00 0.70 0.00 0.00 55.95 58.35 2b3w s SER 70 Cb 0.09 -2.56 0.25 0.00 -1.71 0.00 0.00 66.02 62.09 2b3w s SER 70 CO 0.78 -0.46 1.55 1.55 1.20 0.00 0.00 173.24 177.86 2b3w h PRO 71 N 7.14 0.19 -0.32 5.44 0.13 -1.97 -2.73 132.00 139.88 2b3w h PRO 71 Ca -0.34 -0.14 -0.15 0.00 -0.87 0.00 0.00 66.00 64.50 2b3w h PRO 71 Cb 1.16 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2b3w h PRO 71 CO 0.85 0.76 -0.41 1.98 -0.23 0.00 0.00 178.00 180.95 2b3w h MET 72 N 0.14 0.79 -0.44 0.86 4.05 -1.98 -0.06 114.93 118.29 2b3w h MET 72 Ca -0.01 -0.42 -0.13 0.00 -0.28 0.00 0.00 59.70 58.86 2b3w h MET 72 Cb 1.14 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.94 2b3w h MET 72 CO 0.09 1.05 -0.25 0.28 0.23 0.00 0.00 176.91 178.32 2b3w h VAL 73 N 0.64 1.27 0.17 -5.77 2.07 -1.97 -0.51 116.25 112.16 2b3w h VAL 73 Ca 0.05 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 2b3w h VAL 73 Cb 0.97 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 2b3w h VAL 73 CO 0.09 0.48 -0.08 0.00 0.02 0.00 0.00 177.57 178.08 2b3w h ALA 74 N 0.93 -0.23 -0.62 1.67 0.00 -1.26 -1.56 119.26 118.20 2b3w h ALA 74 Ca 0.10 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2b3w h ALA 74 Cb 0.81 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2b3w h ALA 74 CO 0.07 -0.50 0.41 0.00 0.00 0.00 0.00 179.25 179.23 2b3w h ALA 75 N 0.30 1.64 -0.86 0.00 0.00 -1.02 -0.08 119.26 119.24 2b3w h ALA 75 Ca -0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2b3w h ALA 75 Cb 0.37 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2b3w h ALA 75 CO 0.04 0.30 0.42 -0.09 0.00 0.00 0.00 179.25 179.92 2b3w h ARG 76 N 0.76 1.24 -0.06 0.00 2.43 -0.85 0.42 114.38 118.32 2b3w h ARG 76 Ca 0.24 -0.18 -0.19 0.00 -0.81 0.00 0.00 59.98 59.04 2b3w h ARG 76 Cb 0.04 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.36 2b3w h ARG 76 CO -0.06 0.94 -0.77 0.52 -1.51 0.00 0.00 179.97 179.09 2b3w h MET 77 N 1.23 0.39 -0.31 0.20 2.86 -0.23 -2.99 114.93 116.07 2b3w h MET 77 Ca 0.30 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2b3w h MET 77 Cb 0.11 0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2b3w h MET 77 CO -0.04 0.99 0.00 0.41 1.06 0.00 0.00 176.91 179.33 2b3w n GLY 78 N 0.64 0.85 0.27 8.32 0.00 -0.15 -4.27 105.19 110.85 2b3w n GLY 78 Ca -0.05 -0.51 -0.07 0.00 0.00 0.00 0.00 46.02 45.40 2b3w n GLY 78 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2b3w h ARG 79 N 2.81 0.93 -7.38 1.61 9.65 -0.00 -3.46 114.38 118.53 2b3w h ARG 79 Ca 0.00 -0.17 -0.46 0.00 -1.10 0.00 0.00 59.98 58.25 2b3w h ARG 79 Cb 0.62 -0.15 0.11 0.00 -1.39 0.00 0.00 29.97 29.17 2b3w h ARG 79 CO 0.00 0.79 0.23 0.34 2.80 0.00 0.00 179.97 184.13 2b3w s ASP 80 N -6.13 3.97 0.00 -3.80 2.15 -1.26 -5.02 116.67 106.58 2b3w s ASP 80 Ca -0.13 -0.05 0.06 0.00 0.43 0.00 0.00 52.55 52.86 2b3w s ASP 80 Cb 0.13 -0.25 0.11 0.00 -0.30 0.00 0.00 42.92 42.61 2b3w s ASP 80 CO 0.80 -2.14 0.93 0.54 -0.17 0.00 0.00 175.17 175.13 2b3w n ARG 81 N -3.17 1.50 0.24 4.34 3.00 -1.26 -4.58 116.66 116.73 2b3w n ARG 81 Ca 0.14 -1.36 0.09 0.00 -0.01 0.00 0.00 57.85 56.71 2b3w n ARG 81 Cb 0.60 -1.13 0.60 0.00 0.00 0.00 0.00 32.46 32.53 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 1.09 0.00 -3.43 0.55 0.02 -1.98 -3.43 113.55 106.37 2b3w h SER 82 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 2b3w h SER 82 Cb 0.45 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 2b3w h SER 82 CO 0.00 0.17 -0.05 -0.54 -1.14 0.00 0.00 176.83 175.27 2b3w s LYS 83 N -4.35 3.95 -0.32 3.45 -0.14 -1.26 -4.96 119.74 116.10 2b3w s LYS 83 Ca -0.03 0.47 -0.36 0.00 -1.36 0.00 0.00 55.97 54.69 2b3w s LYS 83 Cb 0.14 -2.77 -0.12 0.00 -1.68 0.00 0.00 37.83 33.40 2b3w s LYS 83 CO 0.64 0.38 2.09 -2.30 -0.76 0.00 0.00 175.35 175.40 2b3w n PRO 84 N 0.34 1.13 -3.01 -1.68 -0.02 -1.26 -4.96 135.00 125.53 2b3w n PRO 84 Ca -0.02 0.34 -0.29 0.00 -2.02 0.00 0.00 63.50 61.51 2b3w n PRO 84 Cb 0.52 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 2b3w n PRO 84 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2b3w s LEU 85 N 6.34 3.90 0.03 2.45 1.43 -1.26 -3.38 118.68 128.18 2b3w s LEU 85 Ca 1.07 0.96 -0.09 0.00 -1.03 0.00 0.00 54.13 55.04 2b3w s LEU 85 Cb -0.91 -3.83 -0.05 0.00 0.03 0.00 0.00 46.19 41.43 2b3w s LEU 85 CO 0.53 -0.34 0.33 -0.13 0.23 0.00 0.00 176.35 176.97 2b3w s ARG 86 N -3.81 3.69 0.17 1.70 0.52 -1.25 -4.85 118.95 115.12 2b3w s ARG 86 Ca 0.48 0.09 0.09 0.00 -0.52 0.00 0.00 55.73 55.88 2b3w s ARG 86 Cb -0.10 -3.08 -0.09 0.00 0.52 0.00 0.00 34.95 32.20 2b3w s ARG 86 CO 0.32 0.63 1.35 -0.22 0.02 0.00 0.00 175.30 177.40 2b3w h LYS 87 N 4.06 0.00 -0.33 3.54 3.64 -1.98 -3.04 116.57 122.46 2b3w h LYS 87 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2b3w h LYS 87 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2b3w h LYS 87 CO 0.65 0.84 0.00 0.27 -2.27 0.00 0.00 179.45 178.94 2b3w n ASN 88 N -3.34 1.32 0.32 4.20 6.94 -1.26 -3.84 115.26 119.60 2b3w n ASN 88 Ca 0.00 -2.05 0.22 0.00 -0.02 0.00 0.00 54.58 52.73 2b3w n ASN 88 Cb 0.86 -0.22 1.14 0.00 -2.36 0.00 0.00 39.78 39.21 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 1.18 0.00 -0.48 -2.53 2.91 -1.92 -0.28 115.95 114.83 2b3w h TRP 89 Ca 0.00 0.00 -0.13 0.00 1.13 0.00 0.00 58.89 59.89 2b3w h TRP 89 Cb 0.39 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.03 2b3w h TRP 89 CO 0.17 0.00 -0.20 0.93 -1.03 0.00 0.00 178.44 178.31 2b3w h GLU 90 N 0.00 0.97 -0.03 2.65 4.39 -1.85 -3.26 114.58 117.47 2b3w h GLU 90 Ca 0.00 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.29 2b3w h GLU 90 Cb 0.02 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2b3w h GLU 90 CO 0.00 1.08 -0.10 -1.13 -1.16 0.00 0.00 179.01 177.70 2b3w n SER 91 N -4.14 2.80 -0.38 1.42 3.41 -0.18 -4.24 113.62 112.31 2b3w n SER 91 Ca -0.00 -1.90 0.05 0.00 -0.26 0.00 0.00 58.87 56.76 2b3w n SER 91 Cb 0.45 0.10 0.05 0.00 -0.26 0.00 0.00 64.21 64.54 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 1.06 0.08 0.27 -3.33 0.24 -0.84 -4.49 118.33 111.32 2b3w n VAL 92 Ca 0.13 -0.54 -0.16 0.00 -2.04 0.00 0.00 64.34 61.73 2b3w n VAL 92 Cb 0.57 1.14 -0.08 0.00 -1.47 0.00 0.00 33.84 33.99 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 1.79 -0.62 0.00 7.34 1.57 -1.73 0.12 116.57 125.03 2b3w h LYS 93 Ca 0.00 0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2b3w h LYS 93 Cb 0.41 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2b3w h LYS 93 CO 0.00 -0.38 -0.34 1.05 -0.57 0.00 0.00 179.45 179.21 2b3w h GLU 94 N -0.69 0.00 0.21 3.15 9.09 -1.88 -1.76 114.58 122.70 2b3w h GLU 94 Ca -0.07 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.33 2b3w h GLU 94 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.62 2b3w h GLU 94 CO 0.11 0.34 -0.10 0.37 0.05 0.00 0.00 179.01 179.77 2b3w h GLN 95 N 0.00 -0.27 -0.52 1.06 4.15 -1.71 -0.91 115.11 116.91 2b3w h GLN 95 Ca -0.00 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 2b3w h GLN 95 Cb 0.64 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.37 2b3w h GLN 95 CO 0.04 0.11 0.26 0.28 -1.93 0.00 0.00 178.83 177.59 2b3w h VAL 96 N -0.78 1.19 0.02 2.39 2.07 -0.72 -1.16 116.25 119.27 2b3w h VAL 96 Ca -0.03 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2b3w h VAL 96 Cb 0.51 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2b3w h VAL 96 CO 0.05 0.21 -0.01 0.24 0.02 0.00 0.00 177.57 178.08 2b3w h MET 97 N 0.70 -0.02 -0.70 1.57 2.86 -1.39 -0.65 114.93 117.31 2b3w h MET 97 Ca 0.18 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.83 2b3w h MET 97 Cb 0.10 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 2b3w h MET 97 CO -0.02 -0.01 0.46 -0.09 1.06 0.00 0.00 176.91 178.31 2b3w h ARG 98 N -0.03 0.92 -0.12 1.72 2.43 -0.94 0.56 114.38 118.93 2b3w h ARG 98 Ca -0.00 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 2b3w h ARG 98 Cb 0.02 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.36 2b3w h ARG 98 CO 0.00 0.61 -0.01 -0.22 -1.51 0.00 0.00 179.97 178.84 2b3w h LYS 99 N 0.94 0.21 -0.60 0.20 3.64 -1.07 -1.03 116.57 118.87 2b3w h LYS 99 Ca 0.25 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 2b3w h LYS 99 Cb -0.11 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 2b3w h LYS 99 CO -0.05 0.47 0.14 0.00 -2.27 0.00 0.00 179.45 177.74 2b3w h ALA 100 N 0.74 1.12 -0.37 5.00 0.00 -0.87 -1.46 119.26 123.41 2b3w h ALA 100 Ca 0.03 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2b3w h ALA 100 Cb 0.38 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2b3w h ALA 100 CO 0.01 0.59 -0.10 -0.07 0.00 0.00 0.00 179.25 179.68 2b3w h LEU 101 N 0.89 0.73 -0.31 0.00 3.38 -0.81 -1.58 115.31 117.61 2b3w h LEU 101 Ca 0.19 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2b3w h LEU 101 Cb 0.33 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2b3w h LEU 101 CO 0.00 0.93 0.17 -0.09 0.09 0.00 0.00 178.44 179.54 2b3w h ARG 102 N 0.52 0.44 0.00 1.13 2.43 -0.92 -0.96 114.38 117.02 2b3w h ARG 102 Ca 0.09 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2b3w h ARG 102 Cb 0.61 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2b3w h ARG 102 CO 0.04 0.37 -0.09 0.00 -1.51 0.00 0.00 179.97 178.78 2b3w h ALA 103 N 1.04 1.30 0.00 2.80 0.00 -1.20 0.33 119.26 123.54 2b3w h ALA 103 Ca 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2b3w h ALA 103 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2b3w h ALA 103 CO -0.02 0.11 -0.05 -0.22 0.00 0.00 0.00 179.25 179.08 2b3w h LYS 104 N 0.00 0.03 0.00 0.00 3.64 -0.50 -1.19 116.57 118.55 2b3w h LYS 104 Ca -0.00 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 2b3w h LYS 104 Cb 0.26 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2b3w h LYS 104 CO 0.01 0.86 -0.44 0.74 -2.27 0.00 0.00 179.45 178.35 2b3w h PHE 105 N -0.79 0.00 -0.07 1.91 0.04 -0.85 -2.24 116.94 114.94 2b3w h PHE 105 Ca -0.01 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.57 2b3w h PHE 105 Cb 0.88 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.02 2b3w h PHE 105 CO 0.22 0.44 -0.76 0.93 -0.60 0.00 0.00 178.31 178.53 2b3w h GLU 106 N 0.00 0.43 -0.27 1.51 5.08 -0.45 -3.27 114.58 117.62 2b3w h GLU 106 Ca -0.00 -0.36 -0.09 0.00 -1.00 0.00 0.00 59.36 57.90 2b3w h GLU 106 Cb 0.92 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2b3w h GLU 106 CO 0.06 1.01 -0.21 0.37 -1.00 0.00 0.00 179.01 179.23 2b3w h GLN 107 N 0.28 0.50 -4.74 2.33 5.75 -0.80 -3.40 115.11 115.04 2b3w h GLN 107 Ca -0.04 -0.17 -0.66 0.00 -0.15 0.00 0.00 58.65 57.63 2b3w h GLN 107 Cb 1.35 -0.04 -0.37 0.00 1.07 0.00 0.00 27.48 29.49 2b3w h GLN 107 CO 0.13 0.68 -0.79 -1.01 -2.65 0.00 0.00 178.83 175.19 2b3w s HIS 108 N -4.57 3.07 0.40 3.99 3.76 -0.88 -4.99 115.29 116.08 2b3w s HIS 108 Ca -0.07 -2.22 0.08 0.00 -0.15 0.00 0.00 55.06 52.70 2b3w s HIS 108 Cb 0.14 -1.88 0.84 0.00 1.11 0.00 0.00 32.58 32.78 2b3w s HIS 108 CO 0.79 -0.86 2.00 0.00 -0.85 0.00 0.00 174.74 175.82 2b3w h ALA 109 N 7.81 1.63 0.00 -1.40 0.00 -1.78 -0.97 119.26 124.54 2b3w h ALA 109 Ca -0.18 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 2b3w h ALA 109 Cb 1.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2b3w h ALA 109 CO 0.45 0.29 -0.62 1.05 0.00 0.00 0.00 179.25 180.43 2b3w h GLU 110 N 0.41 0.00 -0.07 0.00 9.09 -1.94 -0.19 114.58 121.88 2b3w h GLU 110 Ca 0.10 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.28 2b3w h GLU 110 Cb 0.12 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.23 2b3w h GLU 110 CO -0.01 0.62 -0.88 -0.07 0.05 0.00 0.00 179.01 178.71 2b3w h LEU 111 N 0.00 0.81 -0.53 3.06 3.38 -1.65 -1.21 115.31 119.16 2b3w h LEU 111 Ca -0.01 -0.59 -0.03 0.00 0.09 0.00 0.00 57.88 57.35 2b3w h LEU 111 Cb 1.10 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2b3w h LEU 111 CO 0.08 1.38 0.23 -0.09 0.09 0.00 0.00 178.44 180.13 2b3w h ARG 112 N 0.41 0.79 -0.10 1.13 2.43 -0.96 0.18 114.38 118.27 2b3w h ARG 112 Ca -0.08 -0.13 -0.08 0.00 -0.81 0.00 0.00 59.98 58.88 2b3w h ARG 112 Cb 1.51 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 2b3w h ARG 112 CO 0.17 0.67 -0.30 0.00 -1.51 0.00 0.00 179.97 179.01 2b3w h ALA 113 N 1.07 1.32 -0.11 2.80 0.00 -1.04 -0.87 119.26 122.43 2b3w h ALA 113 Ca 0.18 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2b3w h ALA 113 Cb 0.17 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2b3w h ALA 113 CO -0.02 0.47 -0.00 1.25 0.00 0.00 0.00 179.25 180.95 2b3w h LEU 114 N 0.16 0.20 -0.53 0.00 5.85 -0.49 -1.13 115.31 119.37 2b3w h LEU 114 Ca 0.02 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.44 2b3w h LEU 114 Cb 0.61 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 2b3w h LEU 114 CO 0.04 0.46 0.34 0.25 -0.34 0.00 0.00 178.44 179.19 2b3w h LEU 115 N -0.07 0.57 -0.45 2.25 5.85 -0.42 -2.08 115.31 120.95 2b3w h LEU 115 Ca 0.03 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2b3w h LEU 115 Cb 0.36 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2b3w h LEU 115 CO 0.01 0.41 0.00 -0.07 -0.34 0.00 0.00 178.44 178.44 2b3w h LEU 116 N 0.68 0.00 -0.53 2.25 3.38 -1.14 -2.35 115.31 117.60 2b3w h LEU 116 Ca 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 2b3w h LEU 116 Cb -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2b3w h LEU 116 CO -0.07 0.00 -0.09 0.00 0.09 0.00 0.00 178.44 178.37 2b3w h ALA 117 N 2.30 0.96 -0.00 1.53 0.00 -0.49 -2.83 119.26 120.74 2b3w h ALA 117 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2b3w h ALA 117 Cb 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2b3w h ALA 117 CO 0.00 0.12 -0.18 0.25 0.00 0.00 0.00 179.25 179.44 2b3w n THR 118 N -3.15 0.00 -2.68 0.00 -2.24 -0.88 -3.11 114.28 102.22 2b3w n THR 118 Ca 0.02 -0.06 -0.38 0.00 -2.27 0.00 0.00 64.05 61.36 2b3w n THR 118 Cb 0.48 0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 68.67 2b3w n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b3w s ALA 119 N -2.60 3.24 -0.76 6.98 0.00 -1.07 0.30 121.76 127.86 2b3w s ALA 119 Ca 0.24 0.64 -0.02 0.00 0.00 0.00 0.00 51.96 52.82 2b3w s ALA 119 Cb 0.19 -3.23 0.37 0.00 0.00 0.00 0.00 23.12 20.45 2b3w s ALA 119 CO 0.52 0.05 2.07 -0.35 0.00 0.00 0.00 175.76 178.04 2b3w n PRO 120 N 0.70 2.69 -1.82 0.00 -0.04 -1.26 -4.34 135.00 130.93 2b3w n PRO 120 Ca 0.01 -3.35 -0.30 0.00 -0.04 0.00 0.00 63.50 59.83 2b3w n PRO 120 Cb 0.49 -2.26 0.18 0.00 -0.04 0.00 0.00 33.50 31.87 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 -3.84 2.10 -0.17 0.55 0.00 0.15 -4.46 121.76 116.09 2b3w s ALA 121 Ca 0.56 -1.07 -0.04 0.00 0.00 0.00 0.00 51.96 51.41 2b3w s ALA 121 Cb 0.46 -2.82 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 2b3w s ALA 121 CO -0.27 -2.45 -0.02 0.21 0.00 0.00 0.00 175.76 173.23 2b3w s LYS 122 N -5.77 3.66 -0.26 0.00 2.20 0.96 -4.88 119.74 115.65 2b3w s LYS 122 Ca 0.72 -0.51 -0.17 0.00 -0.36 0.00 0.00 55.97 55.64 2b3w s LYS 122 Cb -0.06 -2.99 -0.03 0.00 -1.51 0.00 0.00 37.83 33.24 2b3w s LYS 122 CO 0.53 0.15 0.48 -0.51 -0.36 0.00 0.00 175.35 175.64 2b3w s LEU 123 N 0.61 4.06 -0.04 5.43 1.43 -1.26 -0.77 118.68 128.13 2b3w s LEU 123 Ca -0.02 0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 53.54 2b3w s LEU 123 Cb -0.14 -2.61 0.03 0.00 0.03 0.00 0.00 46.19 43.50 2b3w s LEU 123 CO 0.02 -0.25 0.05 -0.69 0.23 0.00 0.00 176.35 175.72 2b3w s VAL 124 N 2.18 -0.05 -0.14 -1.59 1.01 -0.59 -4.47 120.40 116.75 2b3w s VAL 124 Ca 0.20 0.38 -0.16 0.00 0.00 0.00 0.00 61.98 62.40 2b3w s VAL 124 Cb -0.16 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 2b3w s VAL 124 CO 0.09 0.19 0.39 -0.70 0.00 0.00 0.00 175.10 175.07 2b3w s GLU 125 N 2.11 4.30 -1.14 2.72 2.12 -1.26 -1.99 118.70 125.56 2b3w s GLU 125 Ca 0.05 0.28 -0.09 0.00 0.36 0.00 0.00 54.97 55.57 2b3w s GLU 125 Cb -0.12 -3.44 0.26 0.00 0.26 0.00 0.00 34.13 31.09 2b3w s GLU 125 CO -0.03 0.19 1.29 1.58 -0.54 0.00 0.00 175.26 177.74 2b3w n HIS 126 N 3.66 4.54 -2.42 5.30 -0.00 -1.09 0.78 115.22 126.00 2b3w n HIS 126 Ca -0.09 -3.51 -0.38 0.00 -0.00 0.00 0.00 57.72 53.74 2b3w n HIS 126 Cb 0.52 -1.72 -0.03 0.00 -0.00 0.00 0.00 29.99 28.75 2b3w n HIS 126 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 2b3w s THR 127 N -1.00 3.75 -0.56 3.57 -4.23 -1.26 -4.74 115.64 111.17 2b3w s THR 127 Ca 0.34 -0.43 0.23 0.00 -1.18 0.00 0.00 61.69 60.64 2b3w s THR 127 Cb -0.05 -4.74 -0.16 0.00 1.34 0.00 0.00 72.50 68.89 2b3w s THR 127 CO -0.03 -1.65 0.93 1.21 -0.54 0.00 0.00 174.62 174.55 2b3w n GLU 128 N 8.98 0.32 0.01 3.99 2.13 -1.26 -2.74 120.64 132.06 2b3w n GLU 128 Ca 0.29 -0.03 -0.14 0.00 0.66 0.00 0.00 57.16 57.94 2b3w n GLU 128 Cb 0.50 -1.58 -0.14 0.00 0.27 0.00 0.00 31.44 30.49 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 0.20 -2.83 4.31 -0.00 -1.90 -3.45 115.58 111.91 2b3w h ASN 129 Ca 0.00 -0.39 -0.40 0.00 -0.00 0.00 0.00 56.30 55.51 2b3w h ASN 129 Cb 0.75 -0.07 -0.39 0.00 -0.00 0.00 0.00 38.32 38.62 2b3w h ASN 129 CO 0.00 1.34 -0.70 -0.62 -0.00 0.00 0.00 177.43 177.46 2b3w s ASP 130 N -6.57 1.90 -1.12 1.15 2.15 -1.26 -5.09 116.67 107.83 2b3w s ASP 130 Ca -0.10 -0.43 -0.21 0.00 0.43 0.00 0.00 52.55 52.24 2b3w s ASP 130 Cb 0.07 0.03 0.05 0.00 -0.30 0.00 0.00 42.92 42.77 2b3w s ASP 130 CO 0.81 -0.34 1.60 0.00 -0.17 0.00 0.00 175.17 177.08 2b3w s ALA 131 N 2.22 2.85 -0.20 3.66 0.00 -1.25 -4.71 121.76 124.32 2b3w s ALA 131 Ca 0.04 -2.46 -0.29 0.00 0.00 0.00 0.00 51.96 49.25 2b3w s ALA 131 Cb -0.16 -4.58 0.13 0.00 0.00 0.00 0.00 23.12 18.51 2b3w s ALA 131 CO -0.10 -3.62 1.04 -0.47 0.00 0.00 0.00 175.76 172.61 2b3w s TYR 132 N 5.19 -0.36 -0.46 0.00 6.14 -1.19 -4.86 117.35 121.81 2b3w s TYR 132 Ca 0.51 0.70 0.00 0.00 0.64 0.00 0.00 57.07 58.92 2b3w s TYR 132 Cb 0.01 0.43 0.00 0.00 0.42 0.00 0.00 41.96 42.82 2b3w s TYR 132 CO -0.02 -0.29 0.00 0.91 0.64 0.00 0.00 175.55 176.79 2b3w n TRP 133 N 1.09 0.00 -1.58 4.97 5.03 -0.87 -4.86 117.44 121.21 2b3w n TRP 133 Ca -0.10 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.43 2b3w n TRP 133 Cb 0.57 -1.53 0.00 0.00 -1.03 0.00 0.00 31.31 29.32 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 -0.99 3.13 0.21 6.99 0.00 -0.59 -4.07 105.19 109.86 2b3w n GLY 134 Ca -0.04 -0.62 0.05 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 0.00 1.61 3.58 0.11 -1.53 116.42 120.19 2b3w h ASP 135 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2b3w h ASP 135 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2b3w h ASP 135 CO 0.00 0.29 0.00 0.61 -2.88 0.00 0.00 179.24 177.26 2b3w n GLY 136 N -0.59 0.88 1.21 -0.78 0.00 -1.19 -0.85 105.19 103.88 2b3w n GLY 136 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.02 0.71 0.51 -0.02 0.00 -1.11 -4.57 105.19 98.70 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 -2.55 0.00 0.00 1.61 -0.00 -1.18 -5.00 115.22 108.10 2b3w n HIS 138 Ca 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 57.72 57.59 2b3w n HIS 138 Cb 0.00 0.29 0.00 0.00 -0.00 0.00 0.00 29.99 30.28 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 0.00 1.95 2.66 -1.39 0.00 -0.03 -4.82 105.19 103.57 2b3w n GLY 139 Ca -0.07 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 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 3.99 -0.06 1.61 5.02 -1.16 -4.21 118.16 123.35 2b3w n LYS 140 Ca 0.00 -3.37 0.04 0.00 -2.02 0.00 0.00 58.31 52.96 2b3w n LYS 140 Cb 0.00 -2.81 0.05 0.00 -0.02 0.00 0.00 35.03 32.25 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 2.47 2.97 2.76 0.72 0.00 -0.66 -4.80 105.19 108.65 2b3w n GLY 141 Ca 0.52 -0.43 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.77 -2.22 0.00 1.61 5.02 -1.07 -2.35 118.16 118.38 2b3w n LYS 142 Ca 0.06 2.01 0.06 0.00 -2.02 0.00 0.00 58.31 58.42 2b3w n LYS 142 Cb 0.45 -5.41 0.34 0.00 -0.02 0.00 0.00 35.03 30.40 2b3w n LYS 142 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2b3w n ASN 143 N -0.33 0.00 -0.27 4.39 5.15 -0.60 -1.54 115.26 122.07 2b3w n ASN 143 Ca 0.11 -1.18 0.24 0.00 -0.60 0.00 0.00 54.58 53.15 2b3w n ASN 143 Cb 0.43 0.00 0.42 0.00 -0.53 0.00 0.00 39.78 40.10 2b3w n ASN 143 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2b3w n ARG 144 N -0.73 -0.03 0.16 1.20 0.63 -1.26 -0.14 116.66 116.48 2b3w n ARG 144 Ca 0.09 0.83 -0.14 0.00 -0.92 0.00 0.00 57.85 57.71 2b3w n ARG 144 Cb 0.04 -1.59 -0.08 0.00 0.45 0.00 0.00 32.46 31.28 2b3w n ARG 144 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2b3w h LEU 145 N 0.00 -0.29 -1.93 6.15 5.85 -1.73 0.22 115.31 123.58 2b3w h LEU 145 Ca 0.56 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.22 2b3w h LEU 145 Cb 1.69 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.79 2b3w h LEU 145 CO -0.37 -0.15 -0.11 1.23 -0.34 0.00 0.00 178.44 178.71 2b3w h GLY 146 N -0.41 0.00 0.91 3.75 0.00 -0.73 0.15 103.07 106.75 2b3w h GLY 146 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.17 2b3w h GLY 146 CO 0.06 0.00 -0.37 -1.82 0.00 0.00 0.00 176.54 174.41 2b3w h TYR 147 N 0.00 0.74 -0.79 5.60 3.20 -0.92 0.68 116.97 125.48 2b3w h TYR 147 Ca -0.00 -0.27 -0.02 0.00 3.14 0.00 0.00 58.73 61.58 2b3w h TYR 147 Cb 0.24 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 2b3w h TYR 147 CO 0.00 1.01 0.43 -0.07 -1.64 0.00 0.00 178.16 177.89 2b3w h LEU 148 N 0.26 1.00 -1.04 2.82 3.38 0.28 0.15 115.31 122.15 2b3w h LEU 148 Ca 0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2b3w h LEU 148 Cb 0.97 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 2b3w h LEU 148 CO 0.08 0.81 0.46 -0.07 0.09 0.00 0.00 178.44 179.82 2b3w h LEU 149 N 1.10 1.01 -0.43 1.67 3.38 -0.63 0.16 115.31 121.57 2b3w h LEU 149 Ca 0.28 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 58.01 2b3w h LEU 149 Cb 0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2b3w h LEU 149 CO -0.04 0.80 -0.43 0.24 0.09 0.00 0.00 178.44 179.10 2b3w h MET 150 N 1.14 0.84 -0.34 1.13 2.86 -0.01 0.50 114.93 121.05 2b3w h MET 150 Ca 0.29 -0.46 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 2b3w h MET 150 Cb 0.01 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 2b3w h MET 150 CO -0.05 1.10 0.18 0.93 1.06 0.00 0.00 176.91 180.12 2b3w h GLU 151 N 0.68 0.48 -0.64 1.72 5.08 -0.39 0.13 114.58 121.64 2b3w h GLU 151 Ca 0.05 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2b3w h GLU 151 Cb 1.01 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 2b3w h GLU 151 CO 0.10 0.42 0.25 1.25 -1.00 0.00 0.00 179.01 180.03 2b3w h LEU 152 N 0.42 0.88 -0.76 1.33 5.85 -0.53 0.16 115.31 122.67 2b3w h LEU 152 Ca 0.12 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.67 2b3w h LEU 152 Cb 0.09 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 2b3w h LEU 152 CO -0.02 0.82 0.50 -0.09 -0.34 0.00 0.00 178.44 179.31 2b3w h ARG 153 N 0.89 1.00 -0.41 1.25 2.43 0.23 0.58 114.38 120.35 2b3w h ARG 153 Ca 0.21 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 2b3w h ARG 153 Cb 0.21 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 2b3w h ARG 153 CO -0.02 0.66 0.15 1.49 -1.51 0.00 0.00 179.97 180.74 2b3w h GLU 154 N 1.03 0.63 -0.59 0.20 4.81 -0.31 -0.29 114.58 120.06 2b3w h GLU 154 Ca 0.28 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 2b3w h GLU 154 Cb -0.12 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 2b3w h GLU 154 CO -0.06 0.61 0.10 0.37 -0.73 0.00 0.00 179.01 179.30 2b3w h GLN 155 N 0.53 0.97 0.00 1.92 4.15 -0.05 -1.60 115.11 121.03 2b3w h GLN 155 Ca 0.14 -0.26 -0.04 0.00 0.77 0.00 0.00 58.65 59.25 2b3w h GLN 155 Cb 0.23 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 2b3w h GLN 155 CO -0.01 0.92 -0.21 -0.07 -1.93 0.00 0.00 178.83 177.53 2b3w h LEU 156 N 0.87 0.00 -0.31 -2.39 3.38 0.24 0.14 115.31 117.24 2b3w h LEU 156 Ca 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 2b3w h LEU 156 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2b3w h LEU 156 CO 0.01 0.21 -0.06 0.00 0.09 0.00 0.00 178.44 178.69 2b3w h ALA 157 N 1.79 0.43 -0.77 1.53 0.00 -0.67 0.21 119.26 121.77 2b3w h ALA 157 Ca -0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 2b3w h ALA 157 Cb 0.97 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2b3w h ALA 157 CO 0.03 0.24 0.28 0.82 0.00 0.00 0.00 179.25 180.62 2b3w h ILE 158 N 0.36 1.26 -0.19 0.00 2.04 -0.91 0.21 117.51 120.29 2b3w h ILE 158 Ca 0.08 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 65.03 2b3w h ILE 158 Cb 0.55 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2b3w h ILE 158 CO 0.03 0.35 -0.06 -0.08 0.00 0.00 0.00 178.15 178.38 2b3w h GLU 159 N 1.13 0.29 -0.05 2.37 4.57 -0.53 0.16 114.58 122.52 2b3w h GLU 159 Ca 0.25 -0.06 -0.15 0.00 -1.18 0.00 0.00 59.36 58.23 2b3w h GLU 159 Cb 0.26 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 28.81 2b3w h GLU 159 CO -0.01 0.37 -0.54 -0.22 -1.18 0.00 0.00 179.01 177.43 2b3w h LYS 160 N 0.28 0.45 0.00 1.92 1.63 0.05 -2.91 116.57 118.00 2b3w h LYS 160 Ca 0.06 -0.42 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 2b3w h LYS 160 Cb 0.30 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 2b3w h LYS 160 CO 0.01 1.06 0.00 -0.07 -3.45 0.00 0.00 179.45 177.01 2b3w h LEU 161 N -0.01 0.00 -0.16 5.20 4.07 -0.12 -0.52 115.31 123.78 2b3w h LEU 161 Ca -0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.91 2b3w h LEU 161 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 2b3w h LEU 161 CO 0.11 0.00 0.00 -0.62 -1.08 0.00 0.00 178.44 176.85 2b3w n GLU 162 N -2.60 0.95 -1.16 1.13 -0.58 -0.00 -4.71 120.64 113.68 2b3w n GLU 162 Ca -0.02 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.55 2b3w n GLU 162 Cb 0.07 -1.08 -0.09 0.00 -0.57 0.00 0.00 31.44 29.78 2b3w n GLU 162 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2b3w n HIS 163 N -0.42 0.44 -4.08 -0.32 1.44 -0.20 -4.75 115.22 107.32 2b3w n HIS 163 Ca 0.00 -0.20 -0.12 0.00 -2.01 0.00 0.00 57.72 55.39 2b3w n HIS 163 Cb 0.04 -1.57 -0.06 0.00 0.12 0.00 0.00 29.99 28.52 2b3w n HIS 163 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2b3w s HIS 164 N 10.43 0.85 -0.99 -1.40 3.76 -1.26 -5.05 115.29 121.63 2b3w s HIS 164 Ca 0.56 -1.12 -0.04 0.00 -0.15 0.00 0.00 55.06 54.32 2b3w s HIS 164 Cb 0.01 -0.09 0.27 0.00 1.11 0.00 0.00 32.58 33.87 2b3w s HIS 164 CO 0.17 -0.98 1.08 -2.39 -0.85 0.00 0.00 174.74 171.77 2b3w n HIS 165 N -0.44 3.92 -0.16 1.40 1.44 -1.26 -4.94 115.22 115.17 2b3w n HIS 165 Ca 0.00 -3.64 -0.02 0.00 -2.01 0.00 0.00 57.72 52.06 2b3w n HIS 165 Cb 0.63 -1.27 0.07 0.00 0.12 0.00 0.00 29.99 29.53 2b3w n HIS 165 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2b3w h HIS 166 N 5.82 0.09 0.00 -1.40 6.17 -1.97 -3.36 115.15 120.50 2b3w h HIS 166 Ca 0.18 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.30 2b3w h HIS 166 Cb 0.75 0.04 0.00 0.00 2.52 0.00 0.00 27.41 30.72 2b3w h HIS 166 CO 0.81 -0.05 -0.11 1.58 0.71 0.00 0.00 177.93 180.87 2b3w n HIS 167 N -5.16 0.00 -1.00 5.26 -0.00 -1.26 -5.29 115.22 107.77 2b3w n HIS 167 Ca 0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.24 2b3w n HIS 167 Cb 0.26 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.13 2b3w n HIS 167 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38