#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b3w h PRO 2 N 0.00 1.10 -5.37 0.03 0.13 -2.07 -3.39 132.00 122.43 2b3w h PRO 2 Ca 0.00 -0.12 -0.60 0.00 -0.87 0.00 0.00 66.00 64.41 2b3w h PRO 2 Cb 0.00 -0.22 -0.11 0.00 0.13 0.00 0.00 31.00 30.79 2b3w h PRO 2 CO 0.00 0.80 -0.34 0.54 -0.23 0.00 0.00 178.00 178.77 2b3w s VAL 3 N -5.75 5.30 -0.00 1.56 0.11 -1.26 -4.85 120.40 115.50 2b3w s VAL 3 Ca -0.12 0.48 0.00 0.00 -2.93 0.00 0.00 61.98 59.42 2b3w s VAL 3 Cb 0.17 -3.62 -0.00 0.00 -1.53 0.00 0.00 36.38 31.40 2b3w s VAL 3 CO 0.81 0.35 -0.00 0.54 -3.33 0.00 0.00 175.10 173.47 2b3w n ARG 4 N 3.96 1.26 -1.20 1.54 1.74 -1.26 -5.00 116.66 117.70 2b3w n ARG 4 Ca -0.12 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.89 2b3w n ARG 4 Cb 0.52 -1.00 -0.03 0.00 -1.02 0.00 0.00 32.46 30.92 2b3w n ARG 4 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2b3w n ALA 5 N -2.35 -0.10 -0.76 7.54 0.00 -1.26 -4.85 120.51 118.73 2b3w n ALA 5 Ca -0.00 0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.63 2b3w n ALA 5 Cb 0.50 -1.32 0.37 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.22 4.20 -0.02 0.00 6.02 -1.26 -3.55 117.38 121.55 2b3w n GLN 6 Ca -0.07 -3.01 -0.03 0.00 -0.01 0.00 0.00 57.00 53.88 2b3w n GLN 6 Cb 0.42 -2.05 0.20 0.00 1.02 0.00 0.00 30.24 29.84 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 3.93 0.59 0.00 -1.09 2.43 -1.97 -3.42 114.38 114.84 2b3w h ARG 7 Ca 0.00 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 2b3w h ARG 7 Cb 1.68 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.17 2b3w h ARG 7 CO 0.34 0.71 0.00 -0.89 -1.51 0.00 0.00 179.97 178.62 2b3w n ILE 8 N -4.18 0.17 0.00 1.20 5.41 -1.26 -5.04 119.36 115.66 2b3w n ILE 8 Ca 0.01 0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.81 2b3w n ILE 8 Cb 0.35 -0.55 0.00 0.00 -0.71 0.00 0.00 39.64 38.73 2b3w n ILE 8 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 2b3w n GLN 9 N -2.93 0.00 -3.61 0.38 -0.06 -1.23 -4.73 117.38 105.20 2b3w n GLN 9 Ca 0.00 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.61 2b3w n GLN 9 Cb 0.00 0.00 -0.11 0.00 -4.06 0.00 0.00 30.24 26.07 2b3w n GLN 9 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 2b3w s HIS 10 N 0.00 3.19 0.44 3.69 2.46 -1.26 -4.64 115.29 119.16 2b3w s HIS 10 Ca 0.00 -0.32 -0.04 0.00 0.47 0.00 0.00 55.06 55.17 2b3w s HIS 10 Cb 0.00 -2.39 0.09 0.00 -0.13 0.00 0.00 32.58 30.16 2b3w s HIS 10 CO 0.00 -0.36 0.60 1.33 -2.47 0.00 0.00 174.74 173.83 2b3w n VAL 11 N 5.03 0.00 0.00 0.89 0.24 -1.26 -5.09 118.33 118.14 2b3w n VAL 11 Ca -0.14 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.46 2b3w n VAL 11 Cb 0.50 -1.37 0.00 0.00 -1.47 0.00 0.00 33.84 31.50 2b3w n VAL 11 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 2b3w n MET 12 N -2.18 0.00 -3.17 7.34 2.81 -1.26 -5.02 117.12 115.64 2b3w n MET 12 Ca 0.09 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 56.02 2b3w n MET 12 Cb 0.31 -0.03 -0.03 0.00 -0.71 0.00 0.00 33.22 32.76 2b3w n MET 12 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 2b3w s GLN 13 N 0.00 0.06 -1.58 0.03 -2.07 -1.26 -4.91 119.66 109.93 2b3w s GLN 13 Ca 0.00 0.12 -0.02 0.00 -1.82 0.00 0.00 55.36 53.65 2b3w s GLN 13 Cb 0.00 0.07 0.01 0.00 -1.09 0.00 0.00 33.01 32.00 2b3w s GLN 13 CO 0.00 -0.04 0.17 -3.47 -1.32 0.00 0.00 175.29 170.63 2b3w n ASP 14 N 5.07 -5.51 -4.79 12.60 2.03 0.21 -4.94 116.55 121.22 2b3w n ASP 14 Ca -0.08 -0.07 -0.36 0.00 0.52 0.00 0.00 54.79 54.81 2b3w n ASP 14 Cb 0.55 -4.56 -0.05 0.00 -0.72 0.00 0.00 41.12 36.34 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 -3.00 3.86 -0.36 5.18 2.01 -1.24 -4.72 115.64 117.37 2b3w s THR 15 Ca 0.09 1.39 -0.07 0.00 0.31 0.00 0.00 61.69 63.42 2b3w s THR 15 Cb -0.04 -3.70 0.05 0.00 0.01 0.00 0.00 72.50 68.81 2b3w s THR 15 CO 0.12 -0.02 0.14 -0.63 -0.69 0.00 0.00 174.62 173.54 2b3w s ILE 16 N -1.72 3.87 -0.61 1.82 1.01 -1.26 0.10 121.20 124.41 2b3w s ILE 16 Ca 0.58 -1.20 -0.22 0.00 0.00 0.00 0.00 60.65 59.81 2b3w s ILE 16 Cb -0.20 -3.24 0.07 0.00 0.01 0.00 0.00 42.46 39.10 2b3w s ILE 16 CO 0.25 -0.26 0.86 -0.63 0.00 0.00 0.00 174.94 175.17 2b3w s ILE 17 N 1.40 4.51 -0.55 2.92 1.01 -0.02 -4.94 121.20 125.53 2b3w s ILE 17 Ca -0.00 -0.39 -0.17 0.00 0.00 0.00 0.00 60.65 60.09 2b3w s ILE 17 Cb -0.20 -4.57 0.11 0.00 0.01 0.00 0.00 42.46 37.81 2b3w s ILE 17 CO 0.03 -1.24 0.58 0.20 0.00 0.00 0.00 174.94 174.50 2b3w s ASN 18 N 3.38 6.19 0.14 3.58 0.01 -1.26 -2.07 114.94 124.90 2b3w s ASN 18 Ca 0.21 -1.52 0.03 0.00 -0.71 0.00 0.00 52.86 50.86 2b3w s ASN 18 Cb -0.18 -2.25 -0.04 0.00 0.41 0.00 0.00 41.25 39.20 2b3w s ASN 18 CO 0.11 -0.94 0.24 0.72 -1.51 0.00 0.00 177.10 175.73 2b3w s PHE 19 N 2.12 3.42 0.16 2.20 -0.71 -1.21 -5.01 117.98 118.95 2b3w s PHE 19 Ca 0.07 0.11 -0.12 0.00 -1.04 0.00 0.00 56.93 55.96 2b3w s PHE 19 Cb -0.26 -1.65 0.00 0.00 -1.21 0.00 0.00 43.02 39.90 2b3w s PHE 19 CO 0.05 0.53 0.35 -0.47 -1.34 0.00 0.00 175.22 174.34 2b3w s TYR 20 N -1.70 0.19 -0.12 3.49 5.04 -1.26 -3.72 117.35 119.27 2b3w s TYR 20 Ca 0.34 -0.56 -0.09 0.00 -2.44 0.00 0.00 57.07 54.33 2b3w s TYR 20 Cb -0.11 0.09 0.03 0.00 0.35 0.00 0.00 41.96 42.32 2b3w s TYR 20 CO 0.27 -0.76 0.17 -1.13 -1.34 0.00 0.00 175.55 172.76 2b3w n SER 21 N -0.24 -2.66 0.00 4.32 3.41 -1.26 -4.79 113.62 112.40 2b3w n SER 21 Ca -0.09 1.27 0.05 0.00 -0.26 0.00 0.00 58.87 59.83 2b3w n SER 21 Cb 0.63 -4.20 0.30 0.00 -0.26 0.00 0.00 64.21 60.68 2b3w n SER 21 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2b3w n THR 22 N 1.97 0.00 -0.22 6.66 -1.04 -1.26 -3.80 114.28 116.58 2b3w n THR 22 Ca -0.29 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 61.80 2b3w n THR 22 Cb 0.45 -0.63 0.35 0.00 -1.82 0.00 0.00 70.33 68.69 2b3w n THR 22 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2b3w h SER 23 N 0.00 0.68 -2.77 8.00 4.64 -1.93 -3.43 113.55 118.74 2b3w h SER 23 Ca 0.00 0.01 -0.46 0.00 -0.47 0.00 0.00 61.79 60.88 2b3w h SER 23 Cb 0.00 -0.13 0.03 0.00 -0.31 0.00 0.00 62.40 62.00 2b3w h SER 23 CO 0.00 0.41 -0.06 1.51 -0.87 0.00 0.00 176.83 177.82 2b3w s ASP 24 N -6.05 5.71 0.00 4.97 -4.77 -1.25 -4.99 116.67 110.29 2b3w s ASP 24 Ca -0.10 0.26 0.25 0.00 -3.30 0.00 0.00 52.55 49.66 2b3w s ASP 24 Cb 0.20 -1.42 1.34 0.00 -1.09 0.00 0.00 42.92 41.95 2b3w s ASP 24 CO 0.78 -0.81 1.88 -0.90 0.70 0.00 0.00 175.17 176.82 2b3w n ASP 25 N -2.17 0.41 -0.51 2.11 5.75 -1.26 -2.26 116.55 118.63 2b3w n ASP 25 Ca 0.03 -1.32 0.10 0.00 -0.01 0.00 0.00 54.79 53.60 2b3w n ASP 25 Cb 0.58 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 2b3w n ASP 25 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2b3w n TYR 26 N -0.59 0.00 1.33 2.11 4.19 -1.26 -4.24 117.16 118.69 2b3w n TYR 26 Ca 0.18 0.00 0.13 0.00 3.31 0.00 0.00 57.90 61.53 2b3w n TYR 26 Cb 0.15 0.00 0.38 0.00 0.49 0.00 0.00 39.34 40.36 2b3w n TYR 26 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2b3w n GLY 27 N 1.36 0.30 0.33 2.98 0.00 -0.96 -4.41 105.19 104.79 2b3w n GLY 27 Ca 0.09 -0.52 0.19 0.00 0.00 0.00 0.00 46.02 45.78 2b3w n GLY 27 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2b3w h ASP 28 N 3.07 0.00 -0.08 1.61 2.03 -1.74 -2.38 116.42 118.93 2b3w h ASP 28 Ca 0.00 0.00 0.02 0.00 -0.73 0.00 0.00 57.03 56.32 2b3w h ASP 28 Cb 0.66 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.16 2b3w h ASP 28 CO 0.00 0.00 0.25 -0.26 -1.03 0.00 0.00 179.24 178.20 2b3w h PHE 29 N 0.00 0.00 -3.96 4.15 0.04 -1.92 -3.43 116.94 111.82 2b3w h PHE 29 Ca 0.02 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.25 2b3w h PHE 29 Cb 0.23 0.00 0.10 0.00 2.20 0.00 0.00 35.95 38.48 2b3w h PHE 29 CO 0.00 0.00 0.70 0.45 -0.60 0.00 0.00 178.31 178.86 2b3w s SER 30 N -4.94 6.20 0.48 2.17 0.15 -0.90 -4.90 113.70 111.97 2b3w s SER 30 Ca -0.04 2.87 0.28 0.00 0.70 0.00 0.00 55.95 59.76 2b3w s SER 30 Cb 0.12 -2.65 0.94 0.00 -1.71 0.00 0.00 66.02 62.71 2b3w s SER 30 CO 0.39 -0.95 1.83 -0.55 1.20 0.00 0.00 173.24 175.15 2b3w h ASN 31 N 2.71 0.00 -0.25 5.45 7.08 -1.92 -2.53 115.58 126.11 2b3w h ASN 31 Ca -0.50 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.72 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 0.63 0.09 0.00 0.33 -2.08 0.00 0.00 177.43 176.40 2b3w n PHE 32 N -3.18 0.33 -1.97 4.14 7.35 -1.26 -3.47 117.46 119.40 2b3w n PHE 32 Ca 0.01 -0.16 -0.41 0.00 -0.76 0.00 0.00 57.45 56.13 2b3w n PHE 32 Cb 0.42 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.23 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 -1.67 3.60 -1.45 3.13 0.00 -0.96 -4.88 121.76 119.53 2b3w s ALA 33 Ca 0.31 1.39 -0.08 0.00 0.00 0.00 0.00 51.96 53.58 2b3w s ALA 33 Cb 0.17 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2b3w s ALA 33 CO 0.24 -0.81 2.72 0.00 0.00 0.00 0.00 175.76 177.91 2b3w n ALA 34 N 1.57 7.21 -3.47 0.00 0.00 -1.26 -4.41 120.51 120.16 2b3w n ALA 34 Ca 0.04 -3.74 -0.36 0.00 0.00 0.00 0.00 53.44 49.38 2b3w n ALA 34 Cb 0.40 -3.07 -0.13 0.00 0.00 0.00 0.00 19.45 16.64 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 0.61 3.16 0.08 0.00 0.52 -1.17 -4.97 118.94 117.17 2b3w s TRP 35 Ca 0.63 -1.42 -0.33 0.00 0.02 0.00 0.00 56.10 55.00 2b3w s TRP 35 Cb 0.19 -2.16 -0.12 0.00 -1.15 0.00 0.00 33.47 30.23 2b3w s TRP 35 CO -0.08 -0.70 1.75 -2.30 0.02 0.00 0.00 176.95 175.64 2b3w n PRO 36 N 4.74 2.35 -4.55 4.98 -0.02 -1.23 -4.42 135.00 136.86 2b3w n PRO 36 Ca -0.15 0.86 -0.30 0.00 -2.02 0.00 0.00 63.50 61.88 2b3w n PRO 36 Cb 0.46 -2.68 -0.12 0.00 -0.02 0.00 0.00 33.50 31.14 2b3w n PRO 36 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2b3w s ILE 37 N 2.39 2.84 -0.41 4.25 -4.36 0.78 -4.96 121.20 121.74 2b3w s ILE 37 Ca 0.84 -1.25 -0.06 0.00 -0.26 0.00 0.00 60.65 59.91 2b3w s ILE 37 Cb -0.62 -2.23 0.09 0.00 1.25 0.00 0.00 42.46 40.95 2b3w s ILE 37 CO 0.42 0.27 0.22 -0.75 0.24 0.00 0.00 174.94 175.34 2b3w s LYS 38 N -1.63 2.38 -0.13 0.37 2.47 -1.26 -0.18 119.74 121.75 2b3w s LYS 38 Ca 0.16 -1.59 0.02 0.00 -1.56 0.00 0.00 55.97 52.99 2b3w s LYS 38 Cb -0.11 -3.66 0.01 0.00 -1.46 0.00 0.00 37.83 32.62 2b3w s LYS 38 CO 0.07 -0.98 -0.18 0.08 0.16 0.00 0.00 175.35 174.50 2b3w s VAL 39 N 1.31 1.76 -1.98 4.02 1.01 0.30 -4.68 120.40 122.13 2b3w s VAL 39 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2b3w s VAL 39 Cb -0.23 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.56 2b3w s VAL 39 CO -0.01 0.49 0.00 0.47 0.00 0.00 0.00 175.10 176.06 2b3w n ASP 40 N 4.27 -5.64 0.00 3.32 8.00 -1.26 -0.45 116.55 124.78 2b3w n ASP 40 Ca -0.19 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.56 2b3w n ASP 40 Cb 0.51 -4.84 0.00 0.00 -0.02 0.00 0.00 41.12 36.77 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 -0.69 1.03 3.73 0.44 0.00 -1.26 -5.04 105.19 103.40 2b3w n GLY 41 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.51 3.26 -0.36 1.61 1.02 0.40 -5.07 119.74 120.08 2b3w s LYS 42 Ca 0.00 -0.32 -0.21 0.00 0.02 0.00 0.00 55.97 55.47 2b3w s LYS 42 Cb 0.00 -2.97 0.00 0.00 -0.52 0.00 0.00 37.83 34.35 2b3w s LYS 42 CO 0.00 0.67 0.64 0.99 -0.92 0.00 0.00 175.35 176.73 2b3w s THR 43 N -0.75 4.88 -0.15 2.17 2.01 -1.26 -0.54 115.64 121.99 2b3w s THR 43 Ca 0.12 0.56 -0.04 0.00 0.31 0.00 0.00 61.69 62.65 2b3w s THR 43 Cb -0.12 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 2b3w s THR 43 CO 0.03 -0.34 -0.03 0.26 -0.69 0.00 0.00 174.62 173.84 2b3w s TRP 44 N 2.74 3.05 0.39 4.92 0.52 0.74 -4.96 118.94 126.34 2b3w s TRP 44 Ca 0.25 -0.24 0.16 0.00 0.02 0.00 0.00 56.10 56.29 2b3w s TRP 44 Cb -0.14 -1.95 0.95 0.00 -1.15 0.00 0.00 33.47 31.17 2b3w s TRP 44 CO 0.15 0.01 1.92 -1.35 0.02 0.00 0.00 176.95 177.71 2b3w h PRO 45 N 6.60 0.00 -3.82 4.98 0.11 -1.88 0.22 132.00 138.21 2b3w h PRO 45 Ca -0.33 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.69 2b3w h PRO 45 Cb 1.19 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.17 2b3w h PRO 45 CO 0.63 0.26 -0.33 0.95 -0.21 0.00 0.00 178.00 179.31 2b3w s THR 46 N -4.31 0.10 0.38 -1.15 -4.23 -1.26 -3.02 115.64 102.14 2b3w s THR 46 Ca -0.03 -1.25 0.12 0.00 -1.18 0.00 0.00 61.69 59.35 2b3w s THR 46 Cb 0.14 -1.59 0.10 0.00 1.34 0.00 0.00 72.50 72.50 2b3w s THR 46 CO 0.69 -0.45 1.85 0.28 -0.54 0.00 0.00 174.62 176.45 2b3w h SER 47 N 2.62 0.03 0.23 3.99 0.02 -1.76 -2.91 113.55 115.75 2b3w h SER 47 Ca -0.33 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.58 2b3w h SER 47 Cb 1.22 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 2b3w h SER 47 CO 0.51 0.36 -0.18 -0.08 -1.14 0.00 0.00 176.83 176.30 2b3w h GLU 48 N 0.02 0.00 -0.47 3.45 4.22 -1.93 -1.76 114.58 118.11 2b3w h GLU 48 Ca 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.35 2b3w h GLU 48 Cb 0.61 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2b3w h GLU 48 CO 0.04 0.18 -0.06 0.45 -2.18 0.00 0.00 179.01 177.45 2b3w h HIS 49 N 0.00 0.96 -0.25 0.92 3.86 -1.87 0.17 115.15 118.94 2b3w h HIS 49 Ca -0.00 -0.19 -0.17 0.00 -1.16 0.00 0.00 60.37 58.85 2b3w h HIS 49 Cb 0.35 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 2b3w h HIS 49 CO 0.00 0.93 -0.51 -0.92 0.86 0.00 0.00 177.93 178.29 2b3w h TYR 50 N 0.72 0.89 -0.91 2.45 3.20 -1.57 0.53 116.97 122.27 2b3w h TYR 50 Ca 0.13 -0.31 -0.01 0.00 3.14 0.00 0.00 58.73 61.68 2b3w h TYR 50 Cb 0.59 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.64 2b3w h TYR 50 CO 0.04 1.08 0.52 0.35 -1.64 0.00 0.00 178.16 178.51 2b3w h PHE 51 N 0.56 1.23 -0.11 -3.82 3.57 -1.12 0.12 116.94 117.38 2b3w h PHE 51 Ca 0.02 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 2b3w h PHE 51 Cb 1.08 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.43 2b3w h PHE 51 CO 0.06 0.84 -0.31 0.37 -2.23 0.00 0.00 178.31 177.04 2b3w h GLN 52 N 1.27 0.40 -0.58 1.11 5.75 -0.43 -1.86 115.11 120.77 2b3w h GLN 52 Ca 0.32 -0.28 -0.09 0.00 -0.15 0.00 0.00 58.65 58.45 2b3w h GLN 52 Cb -0.00 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 2b3w h GLN 52 CO -0.05 0.90 0.02 0.00 -2.65 0.00 0.00 178.83 177.05 2b3w h ALA 53 N 0.50 0.94 0.00 3.38 0.00 -0.71 -2.73 119.26 120.64 2b3w h ALA 53 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2b3w h ALA 53 Cb 0.92 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2b3w h ALA 53 CO 0.07 0.64 -0.29 1.96 0.00 0.00 0.00 179.25 181.63 2b3w h GLN 54 N 0.91 0.00 -0.89 0.00 7.50 -1.04 -3.20 115.11 118.39 2b3w h GLN 54 Ca 0.17 0.00 0.07 0.00 0.50 0.00 0.00 58.65 59.39 2b3w h GLN 54 Cb 0.51 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 27.98 2b3w h GLN 54 CO 0.02 0.00 0.58 -0.22 -1.50 0.00 0.00 178.83 177.71 2b3w h LYS 55 N 0.00 0.96 -5.95 1.46 3.64 -1.00 -3.42 116.57 112.26 2b3w h LYS 55 Ca 0.00 -0.06 -0.62 0.00 -1.27 0.00 0.00 60.65 58.71 2b3w h LYS 55 Cb 0.85 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 32.41 2b3w h LYS 55 CO 0.00 0.64 -0.45 -0.06 -2.27 0.00 0.00 179.45 177.30 2b3w s PHE 56 N -5.88 3.52 -2.63 1.91 0.08 -1.21 -4.32 117.98 109.45 2b3w s PHE 56 Ca -0.11 0.35 0.24 0.00 0.12 0.00 0.00 56.93 57.53 2b3w s PHE 56 Cb 0.20 -1.83 0.55 0.00 -0.57 0.00 0.00 43.02 41.37 2b3w s PHE 56 CO 0.80 0.57 1.46 1.47 -0.10 0.00 0.00 175.22 179.42 2b3w n LEU 57 N 0.40 2.51 -4.55 -0.37 -0.00 -1.26 -4.85 117.00 108.87 2b3w n LEU 57 Ca -0.06 -0.94 -0.43 0.00 -0.00 0.00 0.00 56.01 54.59 2b3w n LEU 57 Cb 0.51 -0.08 -0.05 0.00 -0.00 0.00 0.00 43.42 43.81 2b3w n LEU 57 CO 0.49 0.47 0.59 -0.62 -0.00 0.00 0.00 177.39 178.32 2b3w s ASP 58 N -1.81 6.45 0.42 1.45 2.15 -1.26 -4.92 116.67 119.16 2b3w s ASP 58 Ca 0.34 0.03 0.08 0.00 0.43 0.00 0.00 52.55 53.43 2b3w s ASP 58 Cb 0.20 -2.40 0.89 0.00 -0.30 0.00 0.00 42.92 41.32 2b3w s ASP 58 CO 0.31 -0.89 2.05 -0.08 -0.17 0.00 0.00 175.17 176.39 2b3w h GLU 59 N 8.87 0.46 0.16 4.34 4.57 -1.95 -0.96 114.58 130.07 2b3w h GLU 59 Ca -0.25 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 57.89 2b3w h GLU 59 Cb 1.09 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 2b3w h GLU 59 CO 0.96 0.32 -0.08 -0.22 -1.18 0.00 0.00 179.01 178.81 2b3w h LYS 60 N 0.47 -0.21 0.00 1.92 3.64 -1.99 0.44 116.57 120.84 2b3w h LYS 60 Ca 0.12 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 2b3w h LYS 60 Cb -0.01 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2b3w h LYS 60 CO -0.02 -0.03 -0.34 -0.92 -2.27 0.00 0.00 179.45 175.87 2b3w h TYR 61 N -0.35 0.00 -0.59 1.91 3.20 -1.90 -1.05 116.97 118.19 2b3w h TYR 61 Ca -0.02 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.78 2b3w h TYR 61 Cb 0.28 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 2b3w h TYR 61 CO -0.03 0.34 0.09 -0.09 -1.64 0.00 0.00 178.16 176.83 2b3w h ARG 62 N 0.00 0.98 -0.48 1.82 2.43 -0.87 -0.84 114.38 117.41 2b3w h ARG 62 Ca -0.00 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 58.86 2b3w h ARG 62 Cb 0.61 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 2b3w h ARG 62 CO 0.04 0.93 0.15 1.49 -1.51 0.00 0.00 179.97 181.07 2b3w h GLU 63 N 0.88 0.72 0.53 0.20 4.57 -0.27 -2.09 114.58 119.11 2b3w h GLU 63 Ca 0.18 -0.12 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 2b3w h GLU 63 Cb 0.43 -0.12 0.01 0.00 -0.16 0.00 0.00 28.75 28.91 2b3w h GLU 63 CO 0.01 0.63 -0.25 1.49 -1.18 0.00 0.00 179.01 179.71 2b3w h GLU 64 N 0.70 -0.68 0.00 1.92 4.57 -0.55 -2.58 114.58 117.96 2b3w h GLU 64 Ca 0.16 0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.38 2b3w h GLU 64 Cb 0.22 0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2b3w h GLU 64 CO -0.01 -0.44 -0.06 0.82 -1.18 0.00 0.00 179.01 178.15 2b3w h ILE 65 N -0.76 0.64 -0.15 2.32 5.03 -1.05 -2.10 117.51 121.45 2b3w h ILE 65 Ca -0.07 -0.24 -0.17 0.00 -0.12 0.00 0.00 64.86 64.26 2b3w h ILE 65 Cb 0.57 1.15 -0.01 0.00 -3.03 0.00 0.00 36.82 35.50 2b3w h ILE 65 CO 0.12 0.06 -0.60 -0.09 -0.68 0.00 0.00 178.15 176.95 2b3w h ARG 66 N 0.00 0.50 -0.01 2.37 2.43 -1.08 -3.16 114.38 115.43 2b3w h ARG 66 Ca -0.00 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2b3w h ARG 66 Cb 0.14 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2b3w h ARG 66 CO 0.01 0.96 -0.00 2.89 -1.51 0.00 0.00 179.97 182.31 2b3w n ARG 67 N -3.92 1.42 -3.36 0.20 1.85 -0.80 -4.70 116.66 107.36 2b3w n ARG 67 Ca -0.04 -0.61 -0.40 0.00 -1.00 0.00 0.00 57.85 55.80 2b3w n ARG 67 Cb 0.63 -1.49 -0.09 0.00 -1.05 0.00 0.00 32.46 30.47 2b3w n ARG 67 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2b3w s VAL 68 N -2.00 5.14 -0.16 8.89 0.11 -1.18 -4.93 120.40 126.27 2b3w s VAL 68 Ca 0.42 0.38 0.16 0.00 -2.93 0.00 0.00 61.98 60.00 2b3w s VAL 68 Cb 0.21 -3.80 0.03 0.00 -1.53 0.00 0.00 36.38 31.30 2b3w s VAL 68 CO 0.35 0.00 1.33 0.28 -3.33 0.00 0.00 175.10 173.73 2b3w h SER 69 N 8.31 0.00 -3.16 3.54 0.02 -1.88 -3.44 113.55 116.95 2b3w h SER 69 Ca -0.30 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.08 2b3w h SER 69 Cb 1.15 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.63 2b3w h SER 69 CO 0.69 0.50 0.91 -0.44 -1.14 0.00 0.00 176.83 177.35 2b3w s SER 70 N -6.32 6.81 0.08 3.07 0.01 -1.26 -4.91 113.70 111.19 2b3w s SER 70 Ca 0.03 1.24 -0.30 0.00 1.31 0.00 0.00 55.95 58.22 2b3w s SER 70 Cb 0.08 -2.54 -0.18 0.00 0.21 0.00 0.00 66.02 63.59 2b3w s SER 70 CO 0.76 -0.95 1.65 -0.65 0.41 0.00 0.00 173.24 174.46 2b3w h PRO 71 N 8.66 -0.66 0.00 12.44 0.11 -2.00 -2.99 132.00 147.57 2b3w h PRO 71 Ca -0.24 0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.90 2b3w h PRO 71 Cb 1.09 0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2b3w h PRO 71 CO 1.02 -0.44 -0.08 1.98 -0.21 0.00 0.00 178.00 180.27 2b3w h MET 72 N -0.68 0.00 -0.16 1.05 4.05 -1.99 -1.35 114.93 115.84 2b3w h MET 72 Ca -0.07 0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.16 2b3w h MET 72 Cb 0.53 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.33 2b3w h MET 72 CO 0.11 0.08 -0.68 0.28 0.23 0.00 0.00 176.91 176.93 2b3w h VAL 73 N 0.00 1.31 -0.41 -5.77 2.07 -1.94 0.10 116.25 111.62 2b3w h VAL 73 Ca -0.00 -1.94 -0.00 0.00 0.82 0.00 0.00 66.70 65.58 2b3w h VAL 73 Cb 0.34 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2b3w h VAL 73 CO 0.01 0.61 0.25 0.00 0.02 0.00 0.00 177.57 178.46 2b3w h ALA 74 N 0.77 0.52 -0.65 1.67 0.00 -1.13 -0.02 119.26 120.42 2b3w h ALA 74 Ca -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2b3w h ALA 74 Cb 1.27 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2b3w h ALA 74 CO 0.13 0.00 0.32 0.00 0.00 0.00 0.00 179.25 179.70 2b3w h ALA 75 N 1.12 0.83 0.60 0.00 0.00 -1.43 -0.40 119.26 119.99 2b3w h ALA 75 Ca 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2b3w h ALA 75 Cb -0.01 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.53 2b3w h ALA 75 CO -0.03 0.38 -0.29 -0.09 0.00 0.00 0.00 179.25 179.23 2b3w h ARG 76 N 0.89 -0.78 0.00 0.00 2.43 -0.34 0.23 114.38 116.80 2b3w h ARG 76 Ca 0.22 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 2b3w h ARG 76 Cb 0.10 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2b3w h ARG 76 CO -0.03 -0.52 0.00 0.00 -1.51 0.00 0.00 179.97 177.91 2b3w h MET 77 N -0.81 0.00 -0.03 0.20 -0.00 -1.04 -2.38 114.93 110.87 2b3w h MET 77 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.62 2b3w h MET 77 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.22 2b3w h MET 77 CO 0.14 0.00 0.00 0.41 -0.00 0.00 0.00 176.91 177.46 2b3w n GLY 78 N 0.54 0.40 0.00 -3.00 0.00 -0.16 -3.67 105.19 99.31 2b3w n GLY 78 Ca 0.02 -0.54 0.15 0.00 0.00 0.00 0.00 46.02 45.66 2b3w n GLY 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2b3w n ARG 79 N 0.63 0.91 -2.50 1.61 0.63 0.77 -4.82 116.66 113.90 2b3w n ARG 79 Ca 0.17 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.68 2b3w n ARG 79 Cb 0.45 -1.50 -0.03 0.00 0.45 0.00 0.00 32.46 31.83 2b3w n ARG 79 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2b3w s ASP 80 N -2.06 7.12 0.00 6.15 2.15 -1.24 -4.92 116.67 123.87 2b3w s ASP 80 Ca 0.45 1.85 0.22 0.00 0.43 0.00 0.00 52.55 55.49 2b3w s ASP 80 Cb 0.21 -2.57 0.55 0.00 -0.30 0.00 0.00 42.92 40.81 2b3w s ASP 80 CO 0.37 -0.48 1.47 -1.14 -0.17 0.00 0.00 175.17 175.22 2b3w n ARG 81 N 4.50 2.50 0.10 4.34 0.63 -1.26 -4.00 116.66 123.47 2b3w n ARG 81 Ca 0.09 -2.31 0.13 0.00 -0.92 0.00 0.00 57.85 54.84 2b3w n ARG 81 Cb 0.47 -1.52 0.30 0.00 0.45 0.00 0.00 32.46 32.16 2b3w n ARG 81 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 2b3w h SER 82 N 4.06 0.00 -4.07 6.15 0.02 -1.99 -3.46 113.55 114.27 2b3w h SER 82 Ca 0.00 -0.07 -0.45 0.00 -0.84 0.00 0.00 61.79 60.44 2b3w h SER 82 Cb 0.91 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 2b3w h SER 82 CO 0.00 0.03 0.35 -0.54 -1.14 0.00 0.00 176.83 175.53 2b3w s LYS 83 N -3.14 4.16 -0.24 3.45 -0.14 -1.26 -4.95 119.74 117.62 2b3w s LYS 83 Ca 0.09 1.14 -0.29 0.00 -1.36 0.00 0.00 55.97 55.54 2b3w s LYS 83 Cb 0.12 -2.17 -0.06 0.00 -1.68 0.00 0.00 37.83 34.04 2b3w s LYS 83 CO 0.65 -0.10 2.21 -0.35 -0.76 0.00 0.00 175.35 177.00 2b3w n PRO 84 N -0.74 1.82 -2.94 -1.68 -0.04 -1.26 -4.94 135.00 125.22 2b3w n PRO 84 Ca 0.07 0.50 -0.41 0.00 -0.04 0.00 0.00 63.50 63.62 2b3w n PRO 84 Cb 0.54 -3.09 -0.05 0.00 -0.04 0.00 0.00 33.50 30.86 2b3w n PRO 84 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2b3w s LEU 85 N 8.02 4.10 0.20 1.53 1.43 -1.26 -4.46 118.68 128.23 2b3w s LEU 85 Ca 1.02 0.98 -0.30 0.00 -1.03 0.00 0.00 54.13 54.80 2b3w s LEU 85 Cb -0.44 -3.12 -0.09 0.00 0.03 0.00 0.00 46.19 42.58 2b3w s LEU 85 CO 0.38 -0.46 1.35 0.00 0.23 0.00 0.00 176.35 177.85 2b3w s ARG 86 N 2.62 4.35 0.35 1.70 1.70 -1.26 -4.91 118.95 123.50 2b3w s ARG 86 Ca 0.33 2.11 0.15 0.00 -0.47 0.00 0.00 55.73 57.85 2b3w s ARG 86 Cb -0.16 -3.18 0.62 0.00 -0.57 0.00 0.00 34.95 31.67 2b3w s ARG 86 CO 0.08 -0.31 1.74 0.87 -1.08 0.00 0.00 175.30 176.60 2b3w h LYS 87 N 5.47 0.00 -0.66 3.89 6.56 -1.97 -2.18 116.57 127.69 2b3w h LYS 87 Ca -0.45 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.14 2b3w h LYS 87 Cb 1.21 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.87 2b3w h LYS 87 CO 0.78 0.44 0.00 0.09 -2.06 0.00 0.00 179.45 178.71 2b3w n ASN 88 N -3.79 3.16 0.01 0.86 4.13 -1.26 -4.02 115.26 114.35 2b3w n ASN 88 Ca -0.01 -2.35 0.07 0.00 1.68 0.00 0.00 54.58 53.96 2b3w n ASN 88 Cb 0.50 -0.50 0.48 0.00 -1.54 0.00 0.00 39.78 38.72 2b3w n ASN 88 CO 0.00 0.00 0.00 -0.25 0.28 0.00 0.00 177.26 177.29 2b3w h TRP 89 N 2.25 0.42 -0.83 3.10 -0.00 -1.77 0.10 115.95 119.22 2b3w h TRP 89 Ca 0.00 0.01 0.07 0.00 -0.00 0.00 0.00 58.89 58.97 2b3w h TRP 89 Cb 1.08 -0.14 -0.06 0.00 -0.00 0.00 0.00 29.16 30.03 2b3w h TRP 89 CO 0.50 0.25 0.50 1.49 -0.00 0.00 0.00 178.44 181.18 2b3w h GLU 90 N 0.44 0.87 0.16 2.65 4.57 -1.82 -1.37 114.58 120.07 2b3w h GLU 90 Ca 0.17 -0.05 -0.24 0.00 -1.18 0.00 0.00 59.36 58.06 2b3w h GLU 90 Cb 0.12 -0.20 0.02 0.00 -0.16 0.00 0.00 28.75 28.53 2b3w h GLU 90 CO -0.04 0.58 -1.07 0.77 -1.18 0.00 0.00 179.01 178.07 2b3w h SER 91 N 0.90 0.54 0.21 1.04 0.02 -1.38 -3.35 113.55 111.52 2b3w h SER 91 Ca 0.37 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 2b3w h SER 91 Cb 0.22 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2b3w h SER 91 CO -0.19 1.51 -0.13 1.33 -1.14 0.00 0.00 176.83 178.21 2b3w n VAL 92 N -4.00 0.00 -0.22 2.27 0.24 0.18 -3.96 118.33 112.85 2b3w n VAL 92 Ca -0.16 -0.12 0.06 0.00 -2.04 0.00 0.00 64.34 62.08 2b3w n VAL 92 Cb 0.90 0.18 0.33 0.00 -1.47 0.00 0.00 33.84 33.78 2b3w n VAL 92 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2b3w h LYS 93 N 1.15 0.79 0.06 7.34 2.10 -1.39 -0.59 116.57 126.03 2b3w h LYS 93 Ca 0.00 -0.05 -0.24 0.00 -2.00 0.00 0.00 60.65 58.37 2b3w h LYS 93 Cb 0.42 -0.18 -0.01 0.00 -0.90 0.00 0.00 32.23 31.56 2b3w h LYS 93 CO 0.00 0.53 -1.06 1.05 -2.00 0.00 0.00 179.45 177.97 2b3w h GLU 94 N 0.82 0.22 -0.51 0.07 4.11 -1.85 -2.68 114.58 114.76 2b3w h GLU 94 Ca 0.34 -0.31 -0.03 0.00 0.07 0.00 0.00 59.36 59.43 2b3w h GLU 94 Cb 0.27 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2b3w h GLU 94 CO -0.12 1.09 0.21 0.37 0.07 0.00 0.00 179.01 180.63 2b3w h GLN 95 N 0.09 0.75 -0.06 1.06 4.15 -1.40 0.55 115.11 120.25 2b3w h GLN 95 Ca -0.08 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.20 2b3w h GLN 95 Cb 1.76 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 29.32 2b3w h GLN 95 CO 0.17 0.66 0.02 0.28 -1.93 0.00 0.00 178.83 178.03 2b3w h VAL 96 N 0.68 1.17 0.39 2.39 2.07 -1.23 -1.79 116.25 119.93 2b3w h VAL 96 Ca 0.17 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 2b3w h VAL 96 Cb 0.18 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2b3w h VAL 96 CO -0.02 0.15 -0.19 0.24 0.02 0.00 0.00 177.57 177.77 2b3w h MET 97 N -0.10 -0.51 0.00 1.57 2.86 -1.17 0.58 114.93 118.17 2b3w h MET 97 Ca 0.02 0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2b3w h MET 97 Cb 0.22 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 2b3w h MET 97 CO -0.00 -0.29 -0.15 0.00 1.06 0.00 0.00 176.91 177.52 2b3w h ARG 98 N -0.60 0.00 0.03 1.72 3.08 0.05 0.38 114.38 119.04 2b3w h ARG 98 Ca -0.05 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 2b3w h ARG 98 Cb 0.44 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.51 2b3w h ARG 98 CO 0.09 0.15 -0.44 -0.22 -1.07 0.00 0.00 179.97 178.48 2b3w h LYS 99 N 0.00 0.24 -0.62 0.04 3.64 -1.16 -2.31 116.57 116.40 2b3w h LYS 99 Ca -0.00 -0.30 -0.04 0.00 -1.27 0.00 0.00 60.65 59.04 2b3w h LYS 99 Cb 0.34 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 2b3w h LYS 99 CO 0.02 1.05 0.22 0.00 -2.27 0.00 0.00 179.45 178.47 2b3w h ALA 100 N 0.19 0.81 -0.52 5.00 0.00 -0.29 -0.88 119.26 123.57 2b3w h ALA 100 Ca -0.06 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 2b3w h ALA 100 Cb 1.23 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2b3w h ALA 100 CO 0.08 0.45 0.04 -0.07 0.00 0.00 0.00 179.25 179.76 2b3w h LEU 101 N 0.87 0.81 -0.39 0.00 3.38 -0.37 0.18 115.31 119.79 2b3w h LEU 101 Ca 0.20 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2b3w h LEU 101 Cb 0.25 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2b3w h LEU 101 CO -0.01 0.85 0.15 -0.09 0.09 0.00 0.00 178.44 179.42 2b3w h ARG 102 N 0.80 0.59 -0.66 1.13 2.43 -0.98 -1.29 114.38 116.40 2b3w h ARG 102 Ca 0.16 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 2b3w h ARG 102 Cb 0.42 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 2b3w h ARG 102 CO 0.01 0.57 0.22 0.00 -1.51 0.00 0.00 179.97 179.26 2b3w h ALA 103 N 0.99 1.14 0.16 2.80 0.00 -0.81 0.26 119.26 123.80 2b3w h ALA 103 Ca 0.13 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2b3w h ALA 103 Cb 0.21 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2b3w h ALA 103 CO -0.01 0.60 -0.35 -0.22 0.00 0.00 0.00 179.25 179.27 2b3w h LYS 104 N 0.97 -0.59 0.09 0.00 1.63 -0.21 -2.09 116.57 116.37 2b3w h LYS 104 Ca 0.22 0.04 -0.13 0.00 -0.85 0.00 0.00 60.65 59.93 2b3w h LYS 104 Cb 0.26 0.13 0.01 0.00 -0.60 0.00 0.00 32.23 32.03 2b3w h LYS 104 CO -0.01 -0.39 -0.59 0.74 -3.45 0.00 0.00 179.45 175.75 2b3w h PHE 105 N -0.61 0.34 0.00 1.91 0.04 -1.08 -3.19 116.94 114.35 2b3w h PHE 105 Ca 0.02 -0.25 -0.01 0.00 2.80 0.00 0.00 57.97 60.53 2b3w h PHE 105 Cb 0.62 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.76 2b3w h PHE 105 CO -0.30 1.23 -0.04 0.93 -0.60 0.00 0.00 178.31 179.53 2b3w h GLU 106 N -0.60 0.00 0.12 1.51 4.39 -0.58 -2.53 114.58 116.90 2b3w h GLU 106 Ca -0.11 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.41 2b3w h GLU 106 Cb 1.43 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.10 2b3w h GLU 106 CO 0.09 0.04 -0.78 0.37 -1.16 0.00 0.00 179.01 177.57 2b3w h GLN 107 N 0.00 0.32 -4.64 2.33 5.75 -1.48 -3.43 115.11 113.96 2b3w h GLN 107 Ca -0.00 -0.50 -0.70 0.00 -0.15 0.00 0.00 58.65 57.30 2b3w h GLN 107 Cb 0.31 0.18 -0.20 0.00 1.07 0.00 0.00 27.48 28.85 2b3w h GLN 107 CO 0.01 1.22 -0.42 -1.01 -2.65 0.00 0.00 178.83 175.98 2b3w s HIS 108 N -2.56 3.23 0.46 3.99 3.76 -0.96 -4.94 115.29 118.28 2b3w s HIS 108 Ca -0.13 -0.40 0.12 0.00 -0.15 0.00 0.00 55.06 54.50 2b3w s HIS 108 Cb 0.01 -2.58 1.07 0.00 1.11 0.00 0.00 32.58 32.19 2b3w s HIS 108 CO 0.83 -0.51 2.09 0.00 -0.85 0.00 0.00 174.74 176.30 2b3w h ALA 109 N 8.58 1.90 0.81 -1.40 0.00 -1.85 0.28 119.26 127.57 2b3w h ALA 109 Ca -0.29 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 2b3w h ALA 109 Cb 1.13 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2b3w h ALA 109 CO 0.70 0.08 -0.49 0.93 0.00 0.00 0.00 179.25 180.46 2b3w h GLU 110 N 0.29 -1.18 -0.18 0.00 3.07 -1.92 -1.73 114.58 112.93 2b3w h GLU 110 Ca 0.11 0.08 -0.12 0.00 -0.50 0.00 0.00 59.36 58.92 2b3w h GLU 110 Cb 0.07 0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.24 2b3w h GLU 110 CO -0.02 -0.78 -0.42 -0.07 -1.40 0.00 0.00 179.01 176.32 2b3w h LEU 111 N -1.22 0.46 0.10 1.33 3.38 -1.73 -0.79 115.31 116.83 2b3w h LEU 111 Ca -0.11 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.68 2b3w h LEU 111 Cb 0.98 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 2b3w h LEU 111 CO 0.11 0.82 -0.28 -0.09 0.09 0.00 0.00 178.44 179.10 2b3w h ARG 112 N 0.36 -0.46 -0.33 1.13 2.43 -0.41 0.22 114.38 117.32 2b3w h ARG 112 Ca 0.03 0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.11 2b3w h ARG 112 Cb 0.88 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 2b3w h ARG 112 CO 0.07 -0.31 -0.27 0.00 -1.51 0.00 0.00 179.97 177.96 2b3w h ALA 113 N 0.25 0.90 -0.23 2.80 0.00 -1.20 -2.70 119.26 119.08 2b3w h ALA 113 Ca 0.04 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.59 2b3w h ALA 113 Cb 0.51 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2b3w h ALA 113 CO -0.17 0.62 0.08 1.25 0.00 0.00 0.00 179.25 181.03 2b3w h LEU 114 N 0.59 0.09 -0.18 0.00 5.85 -0.64 -0.10 115.31 120.91 2b3w h LEU 114 Ca 0.08 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.84 2b3w h LEU 114 Cb 0.77 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 2b3w h LEU 114 CO 0.06 0.08 0.07 0.25 -0.34 0.00 0.00 178.44 178.56 2b3w h LEU 115 N 0.19 0.08 -1.24 2.25 5.85 -0.47 -2.41 115.31 119.55 2b3w h LEU 115 Ca 0.10 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2b3w h LEU 115 Cb 0.07 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2b3w h LEU 115 CO -0.11 0.07 0.00 -0.07 -0.34 0.00 0.00 178.44 178.00 2b3w h LEU 116 N 0.16 0.00 0.00 2.25 3.38 -1.16 -2.22 115.31 117.71 2b3w h LEU 116 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2b3w h LEU 116 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2b3w h LEU 116 CO -0.08 0.00 -0.05 0.00 0.09 0.00 0.00 178.44 178.40 2b3w n ALA 117 N -2.00 2.34 0.10 1.53 0.00 -0.08 -3.53 120.51 118.88 2b3w n ALA 117 Ca 0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.36 2b3w n ALA 117 Cb 0.28 -1.44 0.09 0.00 0.00 0.00 0.00 19.45 18.38 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 1.46 -3.20 0.00 1.35 -1.28 -3.38 112.91 107.87 2b3w h THR 118 Ca 0.00 -2.30 -0.55 0.00 -0.55 0.00 0.00 66.41 63.01 2b3w h THR 118 Cb 0.74 2.23 0.09 0.00 -1.73 0.00 0.00 68.15 69.48 2b3w h THR 118 CO 0.00 0.67 0.74 0.00 -0.25 0.00 0.00 175.52 176.67 2b3w n ALA 119 N -2.44 1.94 -3.08 6.62 0.00 -1.23 0.08 120.51 122.40 2b3w n ALA 119 Ca -0.02 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.37 2b3w n ALA 119 Cb 0.69 -2.37 0.01 0.00 0.00 0.00 0.00 19.45 17.77 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 1.66 4.26 -4.23 0.00 -0.04 -1.26 -4.79 135.00 130.59 2b3w n PRO 120 Ca 0.08 -4.54 -0.24 0.00 -0.04 0.00 0.00 63.50 58.75 2b3w n PRO 120 Cb 0.35 -2.51 -0.07 0.00 -0.04 0.00 0.00 33.50 31.23 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 -2.49 3.24 0.19 0.55 0.00 0.11 -0.62 121.76 122.75 2b3w s ALA 121 Ca 0.31 -1.49 -0.25 0.00 0.00 0.00 0.00 51.96 50.53 2b3w s ALA 121 Cb 0.02 -0.95 -0.08 0.00 0.00 0.00 0.00 23.12 22.11 2b3w s ALA 121 CO 0.07 0.36 0.80 0.15 0.00 0.00 0.00 175.76 177.14 2b3w s LYS 122 N -3.37 4.56 -0.29 0.00 3.01 0.28 -4.91 119.74 119.02 2b3w s LYS 122 Ca 0.30 1.17 -0.06 0.00 -1.01 0.00 0.00 55.97 56.36 2b3w s LYS 122 Cb -0.08 -3.17 0.01 0.00 -1.01 0.00 0.00 37.83 33.58 2b3w s LYS 122 CO 0.20 0.52 0.07 -0.51 0.51 0.00 0.00 175.35 176.14 2b3w s LEU 123 N -1.34 3.78 -0.16 3.17 1.43 -1.26 -0.84 118.68 123.47 2b3w s LEU 123 Ca 0.38 -0.73 -0.00 0.00 -1.03 0.00 0.00 54.13 52.75 2b3w s LEU 123 Cb -0.22 -1.86 0.04 0.00 0.03 0.00 0.00 46.19 44.18 2b3w s LEU 123 CO 0.26 -0.19 -0.06 -0.69 0.23 0.00 0.00 176.35 175.91 2b3w s VAL 124 N 1.48 1.10 0.08 -1.59 1.01 -0.88 -4.07 120.40 117.53 2b3w s VAL 124 Ca 0.02 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 2b3w s VAL 124 Cb -0.17 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 2b3w s VAL 124 CO 0.02 0.16 0.93 -0.70 0.00 0.00 0.00 175.10 175.52 2b3w s GLU 125 N 1.64 4.64 -0.17 2.72 2.12 -1.26 -3.33 118.70 125.05 2b3w s GLU 125 Ca 0.01 1.39 0.01 0.00 0.36 0.00 0.00 54.97 56.74 2b3w s GLU 125 Cb -0.15 -3.39 0.02 0.00 0.26 0.00 0.00 34.13 30.87 2b3w s GLU 125 CO -0.08 0.17 -0.17 -1.58 -0.54 0.00 0.00 175.26 173.06 2b3w s HIS 126 N 0.20 2.57 0.34 5.30 5.65 -1.24 -2.96 115.29 125.15 2b3w s HIS 126 Ca 0.47 -1.52 0.08 0.00 0.25 0.00 0.00 55.06 54.34 2b3w s HIS 126 Cb -0.22 -1.80 -0.07 0.00 -1.18 0.00 0.00 32.58 29.31 2b3w s HIS 126 CO 0.28 -0.76 -0.05 -0.08 -0.65 0.00 0.00 174.74 173.48 2b3w s THR 127 N 1.36 1.97 -0.46 0.89 -1.32 -0.89 -4.84 115.64 112.35 2b3w s THR 127 Ca 0.04 -2.13 0.04 0.00 -1.21 0.00 0.00 61.69 58.44 2b3w s THR 127 Cb -0.13 -2.69 0.08 0.00 -1.51 0.00 0.00 72.50 68.24 2b3w s THR 127 CO -0.12 -0.16 0.87 -0.62 -2.21 0.00 0.00 174.62 172.38 2b3w n GLU 128 N -0.78 1.26 -3.97 7.08 4.71 -1.26 -0.19 120.64 127.49 2b3w n GLU 128 Ca -0.05 -1.23 -0.31 0.00 -0.01 0.00 0.00 57.16 55.56 2b3w n GLU 128 Cb 0.64 -1.10 -0.16 0.00 -1.01 0.00 0.00 31.44 29.82 2b3w n GLU 128 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2b3w s ASN 129 N -0.68 3.84 0.02 1.62 3.84 -1.26 -4.48 114.94 117.84 2b3w s ASN 129 Ca 0.07 -1.15 0.00 0.00 0.21 0.00 0.00 52.86 52.00 2b3w s ASN 129 Cb 0.04 -1.24 0.00 0.00 -0.55 0.00 0.00 41.25 39.50 2b3w s ASN 129 CO 0.06 -0.21 0.00 -0.67 -2.79 0.00 0.00 177.10 173.49 2b3w n ASP 130 N 4.64 -4.10 -4.58 -4.21 2.03 -1.26 -4.96 116.55 104.11 2b3w n ASP 130 Ca -0.13 0.49 -0.43 0.00 0.52 0.00 0.00 54.79 55.25 2b3w n ASP 130 Cb 0.44 -2.18 -0.05 0.00 -0.72 0.00 0.00 41.12 38.61 2b3w n ASP 130 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2b3w s ALA 131 N -0.16 3.36 0.07 -1.67 0.00 -1.26 -4.44 121.76 117.65 2b3w s ALA 131 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.27 2b3w s ALA 131 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2b3w s ALA 131 CO 0.00 -1.70 0.00 0.98 0.00 0.00 0.00 175.76 175.04 2b3w n TYR 132 N 6.70 -2.27 -2.69 0.00 9.36 -1.10 -4.90 117.16 122.26 2b3w n TYR 132 Ca 0.04 0.21 -0.34 0.00 3.32 0.00 0.00 57.90 61.14 2b3w n TYR 132 Cb 0.48 0.93 -0.01 0.00 -0.63 0.00 0.00 39.34 40.12 2b3w n TYR 132 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 2b3w n TRP 133 N -2.65 3.40 0.00 2.98 7.02 -1.23 -4.44 117.44 122.52 2b3w n TRP 133 Ca 0.00 -3.20 0.00 0.00 -1.02 0.00 0.00 57.50 53.28 2b3w n TRP 133 Cb 0.00 -0.79 0.00 0.00 -2.42 0.00 0.00 31.31 28.10 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 -0.22 3.98 3.68 6.99 0.00 -0.32 -4.69 105.19 114.60 2b3w n GLY 134 Ca 0.40 -1.62 -0.44 0.00 0.00 0.00 0.00 46.02 44.36 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 2.64 -1.53 1.61 2.03 -1.16 -4.24 116.55 115.90 2b3w n ASP 135 Ca 0.00 1.17 -0.10 0.00 0.52 0.00 0.00 54.79 56.38 2b3w n ASP 135 Cb 0.00 -1.44 0.07 0.00 -0.72 0.00 0.00 41.12 39.03 2b3w n ASP 135 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2b3w n GLY 136 N 1.51 3.10 1.33 0.27 0.00 -1.20 -2.11 105.19 108.09 2b3w n GLY 136 Ca 0.09 -0.49 -0.01 0.00 0.00 0.00 0.00 46.02 45.60 2b3w n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b3w n GLY 137 N -0.08 0.58 0.00 -0.02 0.00 0.74 -4.23 105.19 102.18 2b3w n GLY 137 Ca 0.24 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.35 0.00 0.00 1.61 -0.00 -1.26 -4.94 115.22 109.27 2b3w n HIS 138 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 2b3w n HIS 138 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.50 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 -0.58 0.49 3.08 -1.39 0.00 -1.26 -5.11 105.19 100.43 2b3w n GLY 139 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2b3w n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b3w s LYS 140 N 0.00 0.75 0.00 1.61 1.02 -1.26 -5.00 119.74 116.85 2b3w s LYS 140 Ca 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 55.97 55.64 2b3w s LYS 140 Cb 0.00 -0.12 0.00 0.00 -0.52 0.00 0.00 37.83 37.19 2b3w s LYS 140 CO 0.00 -1.18 0.05 0.41 -0.92 0.00 0.00 175.35 173.71 2b3w n GLY 141 N 4.46 0.58 2.41 -3.33 0.00 -1.26 -3.27 105.19 104.78 2b3w n GLY 141 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 -2.52 0.00 1.61 5.02 -1.26 -1.17 118.16 119.84 2b3w n LYS 142 Ca 0.00 2.15 0.03 0.00 -2.02 0.00 0.00 58.31 58.47 2b3w n LYS 142 Cb 0.28 -4.29 0.17 0.00 -0.02 0.00 0.00 35.03 31.18 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 0.43 0.00 0.16 4.39 4.05 -1.26 -1.35 115.26 121.68 2b3w n ASN 143 Ca 0.01 -0.58 0.19 0.00 0.45 0.00 0.00 54.58 54.65 2b3w n ASN 143 Cb 0.04 0.00 0.79 0.00 1.23 0.00 0.00 39.78 41.83 2b3w n ASN 143 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 177.26 174.24 2b3w h ARG 144 N 0.00 0.00 0.21 1.20 2.47 -1.88 0.23 114.38 116.61 2b3w h ARG 144 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2b3w h ARG 144 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2b3w h ARG 144 CO 0.00 0.00 -0.10 1.25 0.56 0.00 0.00 179.97 181.68 2b3w h LEU 145 N 0.00 -0.24 -1.50 3.04 5.85 -1.84 -0.24 115.31 120.38 2b3w h LEU 145 Ca 0.13 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 2b3w h LEU 145 Cb 0.85 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 2b3w h LEU 145 CO -0.00 0.08 -0.26 1.23 -0.34 0.00 0.00 178.44 179.15 2b3w h GLY 146 N -0.58 0.00 1.28 3.75 0.00 -1.12 -1.20 103.07 105.20 2b3w h GLY 146 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 2b3w h GLY 146 CO 0.05 0.00 0.07 -1.82 0.00 0.00 0.00 176.54 174.84 2b3w h TYR 147 N 0.00 0.93 -0.23 5.60 3.20 -0.47 0.73 116.97 126.73 2b3w h TYR 147 Ca -0.00 -0.12 -0.14 0.00 3.14 0.00 0.00 58.73 61.61 2b3w h TYR 147 Cb 0.51 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 2b3w h TYR 147 CO 0.00 0.81 -0.43 -0.07 -1.64 0.00 0.00 178.16 176.83 2b3w h LEU 148 N 0.84 0.60 -0.48 2.82 3.38 -0.18 0.20 115.31 122.49 2b3w h LEU 148 Ca 0.17 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2b3w h LEU 148 Cb 0.40 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2b3w h LEU 148 CO 0.01 0.95 0.27 -0.07 0.09 0.00 0.00 178.44 179.69 2b3w h LEU 149 N 0.46 0.60 -0.68 1.67 3.38 -0.67 0.19 115.31 120.26 2b3w h LEU 149 Ca 0.03 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 2b3w h LEU 149 Cb 0.94 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2b3w h LEU 149 CO 0.08 0.52 -0.64 0.24 0.09 0.00 0.00 178.44 178.73 2b3w h MET 150 N 0.64 0.08 0.38 1.13 2.86 -0.74 0.11 114.93 119.39 2b3w h MET 150 Ca 0.17 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 2b3w h MET 150 Cb 0.05 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2b3w h MET 150 CO -0.03 0.69 -0.18 1.49 1.06 0.00 0.00 176.91 179.95 2b3w h GLU 151 N 0.06 -0.49 -0.87 1.72 4.22 -0.20 -2.26 114.58 116.76 2b3w h GLU 151 Ca -0.01 0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.45 2b3w h GLU 151 Cb 1.15 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 2b3w h GLU 151 CO 0.09 -0.26 0.49 1.25 -2.18 0.00 0.00 179.01 178.40 2b3w h LEU 152 N -0.62 1.06 0.00 1.64 5.85 -0.56 -1.95 115.31 120.72 2b3w h LEU 152 Ca -0.05 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.62 2b3w h LEU 152 Cb 0.46 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 2b3w h LEU 152 CO 0.09 0.84 -0.32 -0.09 -0.34 0.00 0.00 178.44 178.61 2b3w h ARG 153 N 1.20 -0.46 -0.79 1.25 2.43 -0.64 0.43 114.38 117.81 2b3w h ARG 153 Ca 0.31 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.48 2b3w h ARG 153 Cb -0.01 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 2b3w h ARG 153 CO -0.05 -0.30 0.37 0.93 -1.51 0.00 0.00 179.97 179.40 2b3w h GLU 154 N -0.47 1.14 -0.41 0.20 4.39 -1.24 -0.90 114.58 117.29 2b3w h GLU 154 Ca 0.06 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 2b3w h GLU 154 Cb 0.56 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 2b3w h GLU 154 CO -0.26 0.88 0.24 0.37 -1.16 0.00 0.00 179.01 179.07 2b3w h GLN 155 N 1.13 0.56 -0.38 2.33 5.75 -0.56 -0.53 115.11 123.40 2b3w h GLN 155 Ca 0.27 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.68 2b3w h GLN 155 Cb 0.12 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 2b3w h GLN 155 CO -0.03 0.43 0.09 -0.07 -2.65 0.00 0.00 178.83 176.60 2b3w h LEU 156 N 0.53 0.57 0.14 -2.39 3.38 0.22 -2.07 115.31 115.70 2b3w h LEU 156 Ca 0.14 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2b3w h LEU 156 Cb 0.02 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2b3w h LEU 156 CO -0.03 0.65 -0.07 0.00 0.09 0.00 0.00 178.44 179.09 2b3w h ALA 157 N 0.94 -0.19 -0.93 1.53 0.00 -0.94 -0.40 119.26 119.27 2b3w h ALA 157 Ca 0.12 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.05 2b3w h ALA 157 Cb 0.30 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 2b3w h ALA 157 CO 0.00 -0.58 0.57 0.82 0.00 0.00 0.00 179.25 180.07 2b3w h ILE 158 N -0.25 0.97 -0.20 0.00 2.04 -1.06 0.25 117.51 119.26 2b3w h ILE 158 Ca -0.02 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 2b3w h ILE 158 Cb 0.20 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 2b3w h ILE 158 CO 0.03 0.18 0.11 -0.08 0.00 0.00 0.00 178.15 178.39 2b3w h GLU 159 N 0.97 0.27 -0.29 2.37 4.81 -1.03 -2.89 114.58 118.80 2b3w h GLU 159 Ca 0.44 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.54 2b3w h GLU 159 Cb 0.33 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 2b3w h GLU 159 CO -0.22 0.24 -0.22 0.87 -0.73 0.00 0.00 179.01 178.94 2b3w h LYS 160 N 0.23 0.55 0.00 1.92 1.79 0.02 -2.27 116.57 118.81 2b3w h LYS 160 Ca 0.07 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 2b3w h LYS 160 Cb 0.04 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.66 2b3w h LYS 160 CO -0.01 0.74 -0.02 -0.07 -1.08 0.00 0.00 179.45 179.00 2b3w h LEU 161 N 0.49 0.00 -0.19 2.94 4.07 -0.37 -2.23 115.31 120.03 2b3w h LEU 161 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.03 2b3w h LEU 161 Cb 0.65 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.39 2b3w h LEU 161 CO 0.05 0.02 0.00 -0.62 -1.08 0.00 0.00 178.44 176.81 2b3w n GLU 162 N -3.52 1.12 -2.19 1.13 -0.58 -0.85 -4.69 120.64 111.06 2b3w n GLU 162 Ca -0.03 -0.19 -0.31 0.00 -0.42 0.00 0.00 57.16 56.22 2b3w n GLU 162 Cb 0.12 -1.28 -0.05 0.00 -0.57 0.00 0.00 31.44 29.67 2b3w n GLU 162 CO 0.00 0.00 0.00 -3.38 -0.48 0.00 0.00 177.13 173.27 2b3w s HIS 163 N -1.96 2.04 -0.02 -0.32 -3.43 -0.84 -4.91 115.29 105.85 2b3w s HIS 163 Ca 0.26 0.17 0.06 0.00 -0.80 0.00 0.00 55.06 54.74 2b3w s HIS 163 Cb 0.12 -4.21 -0.01 0.00 -1.43 0.00 0.00 32.58 27.04 2b3w s HIS 163 CO 0.20 -1.70 -0.19 -1.01 -2.00 0.00 0.00 174.74 170.04 2b3w s HIS 164 N 8.84 1.75 -1.12 0.38 3.76 -1.26 -5.07 115.29 122.57 2b3w s HIS 164 Ca 0.64 -0.35 -0.13 0.00 -0.15 0.00 0.00 55.06 55.06 2b3w s HIS 164 Cb -0.04 -1.13 0.20 0.00 1.11 0.00 0.00 32.58 32.72 2b3w s HIS 164 CO 0.00 -0.05 1.26 -1.01 -0.85 0.00 0.00 174.74 174.09 2b3w s HIS 165 N -0.40 3.69 -0.18 1.40 3.76 -1.26 -4.66 115.29 117.64 2b3w s HIS 165 Ca 0.06 -2.19 0.14 0.00 -0.15 0.00 0.00 55.06 52.92 2b3w s HIS 165 Cb -0.08 -4.14 0.37 0.00 1.11 0.00 0.00 32.58 29.84 2b3w s HIS 165 CO -0.00 -1.25 1.20 1.58 -0.85 0.00 0.00 174.74 175.41 2b3w n HIS 166 N 4.81 0.02 -1.90 1.40 -0.00 -1.26 -4.93 115.22 113.37 2b3w n HIS 166 Ca 0.30 -1.31 -0.42 0.00 -0.00 0.00 0.00 57.72 56.29 2b3w n HIS 166 Cb 0.43 -0.22 -0.01 0.00 -0.00 0.00 0.00 29.99 30.19 2b3w n HIS 166 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2b3w n HIS 167 N -1.23 3.58 -1.76 1.57 -0.00 -1.26 -5.34 115.22 110.78 2b3w n HIS 167 Ca 0.18 -2.71 0.00 0.00 0.46 0.00 0.00 57.72 55.65 2b3w n HIS 167 Cb 0.68 -2.47 0.00 0.00 -0.12 0.00 0.00 29.99 28.07 2b3w n HIS 167 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38