#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 1.66 0.00 0.03 0.02 -1.26 -1.50 135.00 133.94 2b3w s PRO 2 Ca 0.00 0.09 0.00 0.00 0.02 0.00 0.00 61.00 61.11 2b3w s PRO 2 Cb 0.00 -4.89 0.00 0.00 0.02 0.00 0.00 34.50 29.63 2b3w s PRO 2 CO 0.00 -4.55 0.00 1.55 -0.33 0.00 0.00 177.00 173.67 2b3w n VAL 3 N 8.69 0.00 -2.65 3.83 3.14 -1.26 -5.06 118.33 125.03 2b3w n VAL 3 Ca 0.45 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.78 2b3w n VAL 3 Cb 0.45 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.23 2b3w n VAL 3 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2b3w n ARG 4 N 0.00 -2.46 -2.67 1.45 1.74 -0.57 -4.68 116.66 109.48 2b3w n ARG 4 Ca 0.00 2.15 -0.43 0.00 -0.77 0.00 0.00 57.85 58.79 2b3w n ARG 4 Cb 0.00 -5.08 0.00 0.00 -1.02 0.00 0.00 32.46 26.36 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 0.01 4.39 -2.56 7.54 0.00 -1.26 -4.97 120.51 123.66 2b3w n ALA 5 Ca 0.07 -4.22 -0.39 0.00 0.00 0.00 0.00 53.44 48.91 2b3w n ALA 5 Cb 0.26 -3.10 -0.06 0.00 0.00 0.00 0.00 19.45 16.55 2b3w n ALA 5 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2b3w s GLN 6 N 1.51 4.31 -0.22 0.00 1.11 -1.26 -5.06 119.66 120.05 2b3w s GLN 6 Ca 0.43 0.68 -0.08 0.00 0.01 0.00 0.00 55.36 56.39 2b3w s GLN 6 Cb 0.02 -3.37 -0.04 0.00 -1.01 0.00 0.00 33.01 28.62 2b3w s GLN 6 CO 0.01 0.31 0.10 1.03 0.01 0.00 0.00 175.29 176.74 2b3w s ARG 7 N 0.04 3.92 -0.10 2.91 0.52 -1.26 -5.06 118.95 119.92 2b3w s ARG 7 Ca 0.30 -0.35 -0.30 0.00 -0.52 0.00 0.00 55.73 54.86 2b3w s ARG 7 Cb -0.17 -3.35 -0.03 0.00 0.52 0.00 0.00 34.95 31.92 2b3w s ARG 7 CO 0.16 0.08 1.28 0.42 0.02 0.00 0.00 175.30 177.26 2b3w s ILE 8 N 0.92 4.17 -0.99 1.52 1.01 -1.26 -4.93 121.20 121.64 2b3w s ILE 8 Ca 0.05 1.46 -0.24 0.00 0.00 0.00 0.00 60.65 61.93 2b3w s ILE 8 Cb -0.14 -3.94 -0.06 0.00 0.01 0.00 0.00 42.46 38.33 2b3w s ILE 8 CO 0.03 -0.07 1.96 -1.58 0.00 0.00 0.00 174.94 175.27 2b3w s GLN 9 N 2.97 2.49 0.31 2.79 2.00 -1.26 -4.58 119.66 124.38 2b3w s GLN 9 Ca 0.57 -0.56 0.00 0.00 -2.00 0.00 0.00 55.36 53.37 2b3w s GLN 9 Cb -0.24 -5.11 0.00 0.00 0.80 0.00 0.00 33.01 28.45 2b3w s GLN 9 CO 0.19 -3.63 0.00 0.72 -0.50 0.00 0.00 175.29 172.07 2b3w n HIS 10 N 14.30 -2.96 0.89 1.67 8.25 -1.26 -4.71 115.22 131.39 2b3w n HIS 10 Ca 0.42 1.56 0.02 0.00 -0.26 0.00 0.00 57.72 59.46 2b3w n HIS 10 Cb 0.47 -2.75 0.09 0.00 1.12 0.00 0.00 29.99 28.91 2b3w n HIS 10 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2b3w n VAL 11 N -0.52 0.50 0.00 1.59 0.24 -1.26 -4.96 118.33 113.91 2b3w n VAL 11 Ca 0.00 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 2b3w n VAL 11 Cb 0.00 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 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 0.10 0.00 0.00 7.34 0.00 -1.26 -4.47 117.12 118.83 2b3w n MET 12 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.76 2b3w n MET 12 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.57 2b3w n MET 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2b3w n GLN 13 N 0.00 0.00 -1.02 0.03 10.64 -1.26 -4.93 117.38 120.84 2b3w n GLN 13 Ca 0.00 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.16 2b3w n GLN 13 Cb 0.00 0.00 -0.00 0.00 -0.86 0.00 0.00 30.24 29.38 2b3w n GLN 13 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2b3w n ASP 14 N 0.00 -5.61 -4.61 2.61 9.92 -1.26 -4.92 116.55 112.69 2b3w n ASP 14 Ca 0.00 0.02 -0.43 0.00 -0.53 0.00 0.00 54.79 53.85 2b3w n ASP 14 Cb 0.00 -3.17 -0.03 0.00 -0.64 0.00 0.00 41.12 37.28 2b3w n ASP 14 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2b3w s THR 15 N -1.18 4.56 -0.36 -3.53 2.01 -1.26 -4.95 115.64 110.92 2b3w s THR 15 Ca 0.00 1.26 -0.16 0.00 0.31 0.00 0.00 61.69 63.10 2b3w s THR 15 Cb 0.00 -4.36 -0.00 0.00 0.01 0.00 0.00 72.50 68.15 2b3w s THR 15 CO 0.00 -0.55 0.40 -0.63 -0.69 0.00 0.00 174.62 173.14 2b3w s ILE 16 N 3.55 5.13 -0.43 1.82 1.01 -1.26 -2.04 121.20 128.98 2b3w s ILE 16 Ca 0.39 -0.01 -0.20 0.00 0.00 0.00 0.00 60.65 60.84 2b3w s ILE 16 Cb -0.12 -3.89 0.02 0.00 0.01 0.00 0.00 42.46 38.49 2b3w s ILE 16 CO 0.19 -0.18 0.59 -0.63 0.00 0.00 0.00 174.94 174.90 2b3w s ILE 17 N 2.08 4.90 -0.52 2.92 1.01 0.56 -4.94 121.20 127.22 2b3w s ILE 17 Ca 0.13 -0.02 -0.18 0.00 0.00 0.00 0.00 60.65 60.57 2b3w s ILE 17 Cb -0.17 -4.16 0.08 0.00 0.01 0.00 0.00 42.46 38.22 2b3w s ILE 17 CO 0.12 -0.55 0.57 0.20 0.00 0.00 0.00 174.94 175.28 2b3w s ASN 18 N 1.95 6.19 -0.18 3.58 0.02 -1.26 -1.31 114.94 123.94 2b3w s ASN 18 Ca 0.20 -1.23 -0.04 0.00 -1.02 0.00 0.00 52.86 50.76 2b3w s ASN 18 Cb -0.15 -2.26 -0.02 0.00 0.02 0.00 0.00 41.25 38.84 2b3w s ASN 18 CO 0.17 -0.88 -0.02 0.72 0.02 0.00 0.00 177.10 177.11 2b3w s PHE 19 N 2.28 3.02 -0.29 2.20 -0.12 0.50 -4.89 117.98 120.69 2b3w s PHE 19 Ca 0.10 -0.41 0.01 0.00 -0.05 0.00 0.00 56.93 56.58 2b3w s PHE 19 Cb -0.23 -2.02 0.15 0.00 -0.63 0.00 0.00 43.02 40.30 2b3w s PHE 19 CO 0.08 -0.16 0.37 -0.47 -0.05 0.00 0.00 175.22 175.00 2b3w s TYR 20 N 0.70 -0.83 0.00 3.49 5.04 -1.26 -3.25 117.35 121.23 2b3w s TYR 20 Ca -0.01 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.81 2b3w s TYR 20 Cb -0.14 -0.24 0.00 0.00 0.35 0.00 0.00 41.96 41.92 2b3w s TYR 20 CO 0.02 -0.95 0.00 0.43 -1.34 0.00 0.00 175.55 173.71 2b3w n SER 21 N 5.34 0.00 -0.05 4.32 7.64 -1.26 -5.00 113.62 124.61 2b3w n SER 21 Ca -0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 2b3w n SER 21 Cb 0.48 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.62 2b3w n SER 21 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2b3w h THR 22 N 0.00 0.82 0.00 0.44 1.35 -1.94 -3.31 112.91 110.26 2b3w h THR 22 Ca 0.00 -1.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.28 2b3w h THR 22 Cb 0.00 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 2b3w h THR 22 CO 0.00 0.27 0.00 -1.20 -0.25 0.00 0.00 175.52 174.34 2b3w n SER 23 N -4.72 0.00 -0.10 5.36 7.64 -1.26 -2.93 113.62 117.61 2b3w n SER 23 Ca -0.05 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.83 2b3w n SER 23 Cb 0.22 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.42 2b3w n SER 23 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2b3w n ASP 24 N 5.07 -0.01 0.00 6.43 2.03 -1.26 -5.00 116.55 123.81 2b3w n ASP 24 Ca 0.00 -0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.21 2b3w n ASP 24 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2b3w n ASP 24 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2b3w n ASP 25 N 0.00 0.00 -0.16 1.67 5.68 -1.22 -4.93 116.55 117.60 2b3w n ASP 25 Ca -0.00 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.42 2b3w n ASP 25 Cb 0.07 0.00 0.53 0.00 -1.14 0.00 0.00 41.12 40.58 2b3w n ASP 25 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2b3w n TYR 26 N 0.00 0.00 1.33 2.11 9.36 -1.26 -3.51 117.16 125.19 2b3w n TYR 26 Ca 0.00 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.33 2b3w n TYR 26 Cb 0.00 -0.17 0.63 0.00 -0.63 0.00 0.00 39.34 39.17 2b3w n TYR 26 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2b3w n GLY 27 N 1.30 -0.67 0.35 2.98 0.00 -1.15 -3.83 105.19 104.18 2b3w n GLY 27 Ca 0.13 -0.13 0.18 0.00 0.00 0.00 0.00 46.02 46.20 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 0.27 1.61 3.58 -1.78 0.75 116.42 120.85 2b3w h ASP 28 Ca 0.00 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 2b3w h ASP 28 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2b3w h ASP 28 CO 0.00 0.00 -0.22 -0.26 -2.88 0.00 0.00 179.24 175.88 2b3w h PHE 29 N 0.00 0.00 -3.88 0.28 0.04 -1.91 -3.42 116.94 108.05 2b3w h PHE 29 Ca 0.09 0.00 -0.48 0.00 2.80 0.00 0.00 57.97 60.38 2b3w h PHE 29 Cb 0.72 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.87 2b3w h PHE 29 CO 0.00 0.22 0.39 0.45 -0.60 0.00 0.00 178.31 178.77 2b3w s SER 30 N -6.84 7.20 0.46 2.17 0.15 0.26 -4.94 113.70 112.15 2b3w s SER 30 Ca -0.03 1.99 0.13 0.00 0.70 0.00 0.00 55.95 58.73 2b3w s SER 30 Cb 0.15 -2.59 1.03 0.00 -1.71 0.00 0.00 66.02 62.90 2b3w s SER 30 CO 0.69 -0.17 2.04 -1.13 1.20 0.00 0.00 173.24 175.86 2b3w h ASN 31 N 3.22 0.10 0.00 5.45 -1.24 -1.85 -2.31 115.58 118.96 2b3w h ASN 31 Ca -0.47 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.53 2b3w h ASN 31 Cb 1.20 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.23 2b3w h ASN 31 CO 0.65 0.18 0.00 0.33 -1.29 0.00 0.00 177.43 177.30 2b3w n PHE 32 N -4.41 0.00 -2.27 0.67 7.35 -1.26 -4.19 117.46 113.35 2b3w n PHE 32 Ca -0.02 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.26 2b3w n PHE 32 Cb 0.17 -0.01 -0.03 0.00 0.35 0.00 0.00 39.48 39.96 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 -1.85 2.77 -1.16 3.13 0.00 -0.87 -4.88 121.76 118.90 2b3w s ALA 33 Ca 0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 51.96 51.46 2b3w s ALA 33 Cb 0.00 -4.09 -0.07 0.00 0.00 0.00 0.00 23.12 18.97 2b3w s ALA 33 CO 0.00 -2.93 2.41 0.00 0.00 0.00 0.00 175.76 175.25 2b3w n ALA 34 N 10.01 5.71 -2.67 0.00 0.00 -1.26 -4.58 120.51 127.71 2b3w n ALA 34 Ca 0.16 -2.52 -0.38 0.00 0.00 0.00 0.00 53.44 50.70 2b3w n ALA 34 Cb 0.49 -3.12 -0.07 0.00 0.00 0.00 0.00 19.45 16.74 2b3w n ALA 34 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2b3w s TRP 35 N 2.96 3.39 0.12 0.00 0.52 -1.26 -4.75 118.94 119.93 2b3w s TRP 35 Ca 0.50 0.67 -0.31 0.00 0.02 0.00 0.00 56.10 56.98 2b3w s TRP 35 Cb 0.13 -2.55 -0.10 0.00 -1.15 0.00 0.00 33.47 29.79 2b3w s TRP 35 CO -0.04 -0.01 1.82 -1.25 0.02 0.00 0.00 176.95 177.49 2b3w s PRO 36 N 1.30 4.14 -0.02 4.98 0.04 -1.26 -3.44 135.00 140.74 2b3w s PRO 36 Ca 0.20 2.59 0.05 0.00 0.04 0.00 0.00 61.00 63.89 2b3w s PRO 36 Cb -0.15 -3.58 -0.03 0.00 0.04 0.00 0.00 34.50 30.79 2b3w s PRO 36 CO 0.08 -0.84 -0.16 0.96 0.04 0.00 0.00 177.00 177.09 2b3w s ILE 37 N 2.69 2.94 -0.54 0.56 -4.36 0.20 -4.92 121.20 117.77 2b3w s ILE 37 Ca 0.81 -0.90 -0.16 0.00 -0.26 0.00 0.00 60.65 60.14 2b3w s ILE 37 Cb -0.46 -2.18 0.13 0.00 1.25 0.00 0.00 42.46 41.20 2b3w s ILE 37 CO 0.36 0.50 0.50 -0.75 0.24 0.00 0.00 174.94 175.79 2b3w s LYS 38 N -0.99 2.99 -0.10 0.37 2.47 -1.26 0.07 119.74 123.29 2b3w s LYS 38 Ca 0.13 -1.70 0.02 0.00 -1.56 0.00 0.00 55.97 52.86 2b3w s LYS 38 Cb -0.11 -4.29 0.01 0.00 -1.46 0.00 0.00 37.83 31.98 2b3w s LYS 38 CO 0.02 -1.32 -0.17 0.08 0.16 0.00 0.00 175.35 174.12 2b3w s VAL 39 N 1.60 1.63 0.00 4.02 1.01 0.50 -4.70 120.40 124.45 2b3w s VAL 39 Ca 0.03 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2b3w s VAL 39 Cb -0.30 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.62 2b3w s VAL 39 CO 0.03 0.47 0.00 0.47 0.00 0.00 0.00 175.10 176.07 2b3w n ASP 40 N 3.98 -3.67 0.00 3.32 8.00 -1.26 -1.43 116.55 125.48 2b3w n ASP 40 Ca -0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.30 2b3w n ASP 40 Cb 0.52 -2.67 0.00 0.00 -0.02 0.00 0.00 41.12 38.94 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 -0.46 0.91 3.37 0.44 0.00 -1.26 -5.11 105.19 103.09 2b3w n GLY 41 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.30 1.38 -0.27 1.61 1.02 -0.52 -5.12 119.74 117.55 2b3w s LYS 42 Ca 0.00 -1.47 -0.16 0.00 0.02 0.00 0.00 55.97 54.36 2b3w s LYS 42 Cb 0.00 -1.52 -0.03 0.00 -0.52 0.00 0.00 37.83 35.76 2b3w s LYS 42 CO 0.00 0.31 0.41 0.99 -0.92 0.00 0.00 175.35 176.15 2b3w s THR 43 N -1.97 5.14 -0.20 2.17 2.01 -1.26 -0.37 115.64 121.16 2b3w s THR 43 Ca 0.18 0.66 -0.05 0.00 0.31 0.00 0.00 61.69 62.79 2b3w s THR 43 Cb -0.06 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 2b3w s THR 43 CO 0.08 0.14 -0.01 0.26 -0.69 0.00 0.00 174.62 174.40 2b3w s TRP 44 N 2.14 3.02 0.00 4.92 0.52 0.11 -4.91 118.94 124.74 2b3w s TRP 44 Ca 0.17 -0.52 -0.04 0.00 0.02 0.00 0.00 56.10 55.72 2b3w s TRP 44 Cb -0.16 -2.08 -0.17 0.00 -1.15 0.00 0.00 33.47 29.91 2b3w s TRP 44 CO 0.10 -0.28 2.74 -2.30 0.02 0.00 0.00 176.95 177.23 2b3w n PRO 45 N 4.30 1.45 0.00 4.98 -0.02 -1.26 -0.63 135.00 143.81 2b3w n PRO 45 Ca -0.17 -0.65 0.00 0.00 -2.02 0.00 0.00 63.50 60.66 2b3w n PRO 45 Cb 0.52 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 2b3w n PRO 45 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2b3w n THR 46 N 2.40 0.00 -0.31 3.45 5.66 -1.22 -4.65 114.28 119.62 2b3w n THR 46 Ca 0.28 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.29 2b3w n THR 46 Cb 0.67 0.00 0.20 0.00 -1.55 0.00 0.00 70.33 69.65 2b3w n THR 46 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2b3w h SER 47 N 0.00 0.97 -0.80 1.09 0.02 -1.81 -2.22 113.55 110.80 2b3w h SER 47 Ca 0.00 -0.01 0.13 0.00 -0.84 0.00 0.00 61.79 61.07 2b3w h SER 47 Cb 0.00 -0.22 -0.09 0.00 0.14 0.00 0.00 62.40 62.23 2b3w h SER 47 CO 0.00 0.67 0.40 -0.33 -1.14 0.00 0.00 176.83 176.43 2b3w h GLU 48 N 1.13 0.60 -0.69 3.45 3.07 -1.91 0.21 114.58 120.44 2b3w h GLU 48 Ca 0.36 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 59.11 2b3w h GLU 48 Cb 0.02 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 27.76 2b3w h GLU 48 CO -0.11 0.40 0.16 0.45 -1.40 0.00 0.00 179.01 178.51 2b3w h HIS 49 N 0.62 1.15 0.00 4.33 3.86 -1.71 0.23 115.15 123.64 2b3w h HIS 49 Ca 0.42 -0.14 -0.10 0.00 -1.16 0.00 0.00 60.37 59.40 2b3w h HIS 49 Cb 0.54 -0.33 0.01 0.00 1.06 0.00 0.00 27.41 28.69 2b3w h HIS 49 CO -0.10 0.94 -0.37 -0.92 0.86 0.00 0.00 177.93 178.33 2b3w h TYR 50 N 1.04 0.37 0.00 2.45 3.20 -1.35 -2.38 116.97 120.30 2b3w h TYR 50 Ca 0.22 -0.20 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 2b3w h TYR 50 Cb 0.37 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.60 2b3w h TYR 50 CO 0.03 1.02 -0.00 0.35 -1.64 0.00 0.00 178.16 177.92 2b3w h PHE 51 N -0.39 -0.00 -0.71 -3.82 3.57 -0.53 -0.07 116.94 115.00 2b3w h PHE 51 Ca -0.05 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.38 2b3w h PHE 51 Cb 1.13 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.84 2b3w h PHE 51 CO 0.17 -0.00 0.17 0.37 -2.23 0.00 0.00 178.31 176.79 2b3w h GLN 52 N -0.01 1.14 -0.25 1.11 5.75 -0.65 -1.19 115.11 121.01 2b3w h GLN 52 Ca -0.00 -0.28 -0.12 0.00 -0.15 0.00 0.00 58.65 58.10 2b3w h GLN 52 Cb 0.00 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.39 2b3w h GLN 52 CO 0.00 1.00 -0.35 0.00 -2.65 0.00 0.00 178.83 176.84 2b3w h ALA 53 N 1.09 0.94 0.00 3.38 0.00 -1.20 -2.66 119.26 120.81 2b3w h ALA 53 Ca 0.22 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2b3w h ALA 53 Cb 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2b3w h ALA 53 CO 0.00 0.62 0.00 0.37 0.00 0.00 0.00 179.25 180.24 2b3w h GLN 54 N 0.46 0.00 0.00 0.00 5.75 -0.72 -3.20 115.11 117.40 2b3w h GLN 54 Ca 0.05 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 2b3w h GLN 54 Cb 0.82 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.37 2b3w h GLN 54 CO 0.07 0.00 -0.07 -0.22 -2.65 0.00 0.00 178.83 175.96 2b3w h LYS 55 N 0.00 0.00 -6.48 1.69 3.64 -0.85 -3.45 116.57 111.12 2b3w h LYS 55 Ca 0.00 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.87 2b3w h LYS 55 Cb 0.83 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.66 2b3w h LYS 55 CO 0.00 0.07 -0.15 -0.06 -2.27 0.00 0.00 179.45 177.04 2b3w s PHE 56 N -3.87 1.47 -0.11 1.91 0.08 -1.21 -3.38 117.98 112.87 2b3w s PHE 56 Ca -0.01 -0.75 0.03 0.00 0.12 0.00 0.00 56.93 56.32 2b3w s PHE 56 Cb 0.11 -2.14 -0.09 0.00 -0.57 0.00 0.00 43.02 40.33 2b3w s PHE 56 CO 0.55 -1.00 -0.06 1.28 -0.10 0.00 0.00 175.22 175.89 2b3w n LEU 57 N -2.13 2.10 -4.61 -0.37 4.32 -1.26 -4.93 117.00 110.12 2b3w n LEU 57 Ca 0.12 -0.04 -0.43 0.00 -0.02 0.00 0.00 56.01 55.63 2b3w n LEU 57 Cb 0.62 -0.22 -0.02 0.00 -1.62 0.00 0.00 43.42 42.18 2b3w n LEU 57 CO 0.40 0.55 1.19 1.51 -1.22 0.00 0.00 177.39 179.82 2b3w s ASP 58 N -4.81 6.46 0.41 -1.43 -4.77 -1.26 -4.89 116.67 106.38 2b3w s ASP 58 Ca -0.12 0.93 0.09 0.00 -3.30 0.00 0.00 52.55 50.15 2b3w s ASP 58 Cb 0.04 -2.54 0.86 0.00 -1.09 0.00 0.00 42.92 40.18 2b3w s ASP 58 CO 0.30 -1.31 2.00 -0.08 0.70 0.00 0.00 175.17 176.77 2b3w h GLU 59 N 10.18 0.36 -0.83 2.11 4.81 -1.95 -1.37 114.58 127.88 2b3w h GLU 59 Ca -0.27 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 58.96 2b3w h GLU 59 Cb 1.10 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.37 2b3w h GLU 59 CO 1.07 0.34 0.54 -0.22 -0.73 0.00 0.00 179.01 180.02 2b3w h LYS 60 N 0.35 0.97 0.03 1.92 3.11 -1.99 -0.05 116.57 120.91 2b3w h LYS 60 Ca 0.09 -0.06 -0.22 0.00 -2.81 0.00 0.00 60.65 57.65 2b3w h LYS 60 Cb 0.15 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.16 2b3w h LYS 60 CO -0.00 0.64 -0.98 -0.92 -2.81 0.00 0.00 179.45 175.38 2b3w h TYR 61 N 1.00 0.40 -0.58 1.91 3.20 -1.67 -1.82 116.97 119.41 2b3w h TYR 61 Ca 0.34 -0.24 0.04 0.00 3.14 0.00 0.00 58.73 62.01 2b3w h TYR 61 Cb 0.09 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 2b3w h TYR 61 CO -0.00 1.09 0.32 -0.09 -1.64 0.00 0.00 178.16 177.84 2b3w h ARG 62 N 0.13 0.61 -0.07 1.82 2.43 -0.79 0.95 114.38 119.45 2b3w h ARG 62 Ca -0.07 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.97 2b3w h ARG 62 Cb 1.64 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 31.04 2b3w h ARG 62 CO 0.16 0.40 -0.39 1.49 -1.51 0.00 0.00 179.97 180.11 2b3w h GLU 63 N 0.63 0.16 -0.12 0.20 4.57 -0.93 -2.05 114.58 117.04 2b3w h GLU 63 Ca 0.25 -0.07 -0.13 0.00 -1.18 0.00 0.00 59.36 58.23 2b3w h GLU 63 Cb 0.10 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 2b3w h GLU 63 CO -0.14 0.53 -0.48 1.49 -1.18 0.00 0.00 179.01 179.23 2b3w h GLU 64 N 0.13 0.30 0.00 1.92 4.81 -0.52 -0.30 114.58 120.92 2b3w h GLU 64 Ca 0.01 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.03 2b3w h GLU 64 Cb 0.76 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 2b3w h GLU 64 CO 0.06 0.72 -0.20 0.82 -0.73 0.00 0.00 179.01 179.68 2b3w h ILE 65 N 0.24 0.46 0.00 2.32 2.04 -0.24 -1.02 117.51 121.32 2b3w h ILE 65 Ca 0.01 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 64.73 2b3w h ILE 65 Cb 0.94 1.80 -0.00 0.00 -0.74 0.00 0.00 36.82 38.82 2b3w h ILE 65 CO 0.08 0.20 -0.49 -0.09 0.00 0.00 0.00 178.15 177.84 2b3w h ARG 66 N 0.00 0.00 0.00 2.37 2.43 -1.03 -3.32 114.38 114.83 2b3w h ARG 66 Ca -0.00 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.99 2b3w h ARG 66 Cb 0.79 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.32 2b3w h ARG 66 CO 0.03 0.05 -0.81 -0.09 -1.51 0.00 0.00 179.97 177.63 2b3w h ARG 67 N 0.00 0.04 -6.41 0.20 2.43 0.16 -3.44 114.38 107.37 2b3w h ARG 67 Ca -0.01 -0.04 -0.54 0.00 -0.81 0.00 0.00 59.98 58.58 2b3w h ARG 67 Cb 1.06 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 2b3w h ARG 67 CO 0.01 0.83 0.45 0.54 -1.51 0.00 0.00 179.97 180.28 2b3w s VAL 68 N -3.19 4.64 0.09 0.20 0.11 -0.55 -4.94 120.40 116.76 2b3w s VAL 68 Ca -0.01 1.90 -0.09 0.00 -2.93 0.00 0.00 61.98 60.85 2b3w s VAL 68 Cb 0.11 -4.22 -0.24 0.00 -1.53 0.00 0.00 36.38 30.50 2b3w s VAL 68 CO 0.80 0.13 1.20 -1.28 -3.33 0.00 0.00 175.10 172.61 2b3w h SER 69 N 6.86 0.68 -3.00 3.54 0.87 -1.89 -3.44 113.55 117.17 2b3w h SER 69 Ca -0.40 -0.60 -0.57 0.00 -1.23 0.00 0.00 61.79 58.99 2b3w h SER 69 Cb 1.21 -0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 62.91 2b3w h SER 69 CO 0.78 1.42 0.87 -0.44 -0.53 0.00 0.00 176.83 178.93 2b3w s SER 70 N -7.24 6.98 0.25 6.23 0.01 -1.26 -4.92 113.70 113.75 2b3w s SER 70 Ca -0.07 1.52 -0.03 0.00 1.31 0.00 0.00 55.95 58.68 2b3w s SER 70 Cb 0.07 -2.54 0.29 0.00 0.21 0.00 0.00 66.02 64.05 2b3w s SER 70 CO 0.90 -0.75 1.75 -0.65 0.41 0.00 0.00 173.24 174.89 2b3w h PRO 71 N 8.00 0.86 -0.59 12.44 0.11 -1.88 -3.15 132.00 147.78 2b3w h PRO 71 Ca -0.23 -0.23 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 2b3w h PRO 71 Cb 1.09 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 2b3w h PRO 71 CO 0.98 0.84 0.08 1.98 -0.21 0.00 0.00 178.00 181.67 2b3w h MET 72 N 0.80 0.99 -0.80 1.05 4.05 -1.99 -2.75 114.93 116.28 2b3w h MET 72 Ca 0.16 -0.27 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 2b3w h MET 72 Cb 0.45 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 31.10 2b3w h MET 72 CO 0.02 0.94 0.52 0.28 0.23 0.00 0.00 176.91 178.90 2b3w h VAL 73 N 0.89 1.21 0.83 -5.77 2.07 -1.96 0.14 116.25 113.66 2b3w h VAL 73 Ca 0.18 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 2b3w h VAL 73 Cb 0.44 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2b3w h VAL 73 CO 0.01 0.21 -0.40 0.00 0.02 0.00 0.00 177.57 177.41 2b3w h ALA 74 N 1.48 -1.12 -0.74 1.67 0.00 -1.49 -0.42 119.26 118.64 2b3w h ALA 74 Ca 0.29 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2b3w h ALA 74 Cb -0.10 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2b3w h ALA 74 CO -0.06 -1.11 0.43 0.00 0.00 0.00 0.00 179.25 178.51 2b3w h ALA 75 N -1.01 1.36 -0.16 0.00 0.00 -1.40 -0.75 119.26 117.29 2b3w h ALA 75 Ca -0.11 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.73 2b3w h ALA 75 Cb 0.86 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2b3w h ALA 75 CO 0.19 0.54 -0.03 -0.09 0.00 0.00 0.00 179.25 179.85 2b3w h ARG 76 N 1.03 0.01 0.00 0.00 1.12 -0.53 0.26 114.38 116.27 2b3w h ARG 76 Ca 0.27 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.14 2b3w h ARG 76 Cb -0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.94 2b3w h ARG 76 CO -0.05 0.01 0.00 0.00 -3.11 0.00 0.00 179.97 176.82 2b3w h MET 77 N 0.01 0.00 -0.02 0.20 -0.00 -0.76 -2.74 114.93 111.62 2b3w h MET 77 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.78 2b3w h MET 77 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.72 2b3w h MET 77 CO -0.16 0.00 0.00 0.41 -0.00 0.00 0.00 176.91 177.16 2b3w n GLY 78 N 0.95 0.39 0.00 -3.00 0.00 -0.32 -3.71 105.19 99.51 2b3w n GLY 78 Ca 0.04 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 0.01 -1.82 1.61 0.63 0.87 -4.93 116.66 113.66 2b3w n ARG 79 Ca 0.17 -0.01 -0.30 0.00 -0.92 0.00 0.00 57.85 56.79 2b3w n ARG 79 Cb 0.45 -1.50 0.05 0.00 0.45 0.00 0.00 32.46 31.91 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 -2.99 5.30 0.00 6.15 -1.08 -1.24 -4.98 116.67 117.82 2b3w s ASP 80 Ca 0.11 1.18 0.25 0.00 -0.52 0.00 0.00 52.55 53.56 2b3w s ASP 80 Cb 0.18 -1.97 0.39 0.00 -1.46 0.00 0.00 42.92 40.06 2b3w s ASP 80 CO 0.70 -1.44 1.34 -1.14 0.52 0.00 0.00 175.17 175.14 2b3w n ARG 81 N -3.08 0.78 0.00 4.34 3.00 -1.26 -3.92 116.66 116.52 2b3w n ARG 81 Ca 0.07 -0.55 0.09 0.00 -0.00 0.00 0.00 57.85 57.46 2b3w n ARG 81 Cb 0.57 -1.49 0.42 0.00 0.00 0.00 0.00 32.46 31.96 2b3w n ARG 81 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2b3w n SER 82 N -0.63 0.00 -4.35 6.15 7.64 -1.26 -4.61 113.62 116.56 2b3w n SER 82 Ca 0.10 0.28 -0.34 0.00 1.01 0.00 0.00 58.87 59.91 2b3w n SER 82 Cb 0.38 -0.40 -0.14 0.00 -1.01 0.00 0.00 64.21 63.04 2b3w n SER 82 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2b3w s LYS 83 N -2.80 3.43 -0.08 1.43 -0.14 -1.25 -5.08 119.74 115.25 2b3w s LYS 83 Ca 0.13 -0.61 -0.30 0.00 -1.36 0.00 0.00 55.97 53.83 2b3w s LYS 83 Cb 0.12 -2.93 -0.05 0.00 -1.68 0.00 0.00 37.83 33.29 2b3w s LYS 83 CO 0.31 -0.05 1.57 -1.25 -0.76 0.00 0.00 175.35 175.16 2b3w s PRO 84 N 1.09 4.18 0.39 -1.68 0.04 -1.26 -5.01 135.00 132.76 2b3w s PRO 84 Ca 0.01 2.06 -0.07 0.00 0.04 0.00 0.00 61.00 63.05 2b3w s PRO 84 Cb -0.15 -3.94 -0.05 0.00 0.04 0.00 0.00 34.50 30.40 2b3w s PRO 84 CO -0.00 -0.82 0.69 -0.51 0.04 0.00 0.00 177.00 176.39 2b3w s LEU 85 N 3.94 3.86 0.12 -3.56 1.43 -1.26 -4.60 118.68 118.61 2b3w s LEU 85 Ca 0.69 0.90 -0.31 0.00 -1.03 0.00 0.00 54.13 54.39 2b3w s LEU 85 Cb -0.31 -3.79 -0.10 0.00 0.03 0.00 0.00 46.19 42.03 2b3w s LEU 85 CO 0.26 -0.38 1.75 -0.13 0.23 0.00 0.00 176.35 178.09 2b3w s ARG 86 N -4.03 4.16 0.23 1.70 0.52 -1.22 -4.88 118.95 115.43 2b3w s ARG 86 Ca 0.47 2.51 -0.07 0.00 -0.52 0.00 0.00 55.73 58.13 2b3w s ARG 86 Cb -0.10 -3.52 0.35 0.00 0.52 0.00 0.00 34.95 32.20 2b3w s ARG 86 CO 0.35 -0.79 1.77 -0.22 0.02 0.00 0.00 175.30 176.43 2b3w h LYS 87 N 8.23 0.55 -0.79 3.54 3.11 -1.95 -0.34 116.57 128.92 2b3w h LYS 87 Ca -0.45 -0.03 -0.34 0.00 -2.81 0.00 0.00 60.65 57.02 2b3w h LYS 87 Cb 1.21 -0.12 -0.20 0.00 -1.00 0.00 0.00 32.23 32.11 2b3w h LYS 87 CO 0.94 0.36 0.39 0.09 -2.81 0.00 0.00 179.45 178.43 2b3w n ASN 88 N -4.89 4.05 -0.22 4.20 3.02 -1.26 -4.58 115.26 115.58 2b3w n ASN 88 Ca 0.11 -3.46 -0.04 0.00 -0.03 0.00 0.00 54.58 51.17 2b3w n ASN 88 Cb 0.30 -0.77 0.07 0.00 -0.61 0.00 0.00 39.78 38.77 2b3w n ASN 88 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 2b3w h TRP 89 N 1.71 0.70 0.00 3.10 2.91 -1.42 -1.00 115.95 121.95 2b3w h TRP 89 Ca 0.42 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.46 2b3w h TRP 89 Cb 2.47 -0.22 -0.00 0.00 -0.51 0.00 0.00 29.16 30.90 2b3w h TRP 89 CO 1.37 0.38 -0.01 0.93 -1.03 0.00 0.00 178.44 180.08 2b3w h GLU 90 N 0.73 0.00 0.20 2.65 4.39 -1.81 0.58 114.58 121.33 2b3w h GLU 90 Ca 0.26 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.65 2b3w h GLU 90 Cb 0.07 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2b3w h GLU 90 CO -0.12 0.01 -1.42 0.77 -1.16 0.00 0.00 179.01 177.09 2b3w h SER 91 N 0.00 0.67 -0.15 1.42 0.02 -1.55 -3.33 113.55 110.65 2b3w h SER 91 Ca -0.00 -0.74 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 2b3w h SER 91 Cb 0.08 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.40 2b3w h SER 91 CO 0.00 1.59 0.00 1.33 -1.14 0.00 0.00 176.83 178.61 2b3w n VAL 92 N -3.63 0.17 0.16 2.27 0.24 -0.46 -4.45 118.33 112.63 2b3w n VAL 92 Ca -0.14 -0.52 -0.14 0.00 -2.04 0.00 0.00 64.34 61.50 2b3w n VAL 92 Cb 1.08 1.08 -0.07 0.00 -1.47 0.00 0.00 33.84 34.46 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 4.02 -0.58 0.00 7.34 3.64 0.00 -0.37 116.57 130.63 2b3w h LYS 93 Ca 0.00 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2b3w h LYS 93 Cb 0.87 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.81 2b3w h LYS 93 CO 0.00 -0.39 -0.13 0.93 -2.27 0.00 0.00 179.45 177.60 2b3w h GLU 94 N -0.60 0.00 0.07 1.90 3.07 -1.81 -1.02 114.58 116.19 2b3w h GLU 94 Ca 0.01 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2b3w h GLU 94 Cb 0.58 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 2b3w h GLU 94 CO -0.12 0.13 -0.03 0.37 -1.40 0.00 0.00 179.01 177.95 2b3w h GLN 95 N 0.00 -0.09 -0.78 2.33 -0.00 -1.58 0.17 115.11 115.15 2b3w h GLN 95 Ca -0.00 0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.62 2b3w h GLN 95 Cb 0.24 0.02 -0.04 0.00 0.00 0.00 0.00 27.48 27.70 2b3w h GLN 95 CO 0.02 0.37 0.34 0.28 0.00 0.00 0.00 178.83 179.84 2b3w h VAL 96 N -0.59 1.25 -0.54 2.39 2.07 -0.92 -1.00 116.25 118.91 2b3w h VAL 96 Ca -0.01 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 2b3w h VAL 96 Cb 0.50 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2b3w h VAL 96 CO 0.02 0.31 0.21 -0.03 0.02 0.00 0.00 177.57 178.09 2b3w h MET 97 N 1.12 0.81 -0.85 1.57 1.85 -1.17 -0.84 114.93 117.42 2b3w h MET 97 Ca 0.26 -0.15 -0.02 0.00 -0.61 0.00 0.00 59.70 59.18 2b3w h MET 97 Cb 0.16 -0.13 -0.04 0.00 0.43 0.00 0.00 31.60 32.03 2b3w h MET 97 CO -0.03 0.72 0.45 -0.09 -0.40 0.00 0.00 176.91 177.56 2b3w h ARG 98 N 0.73 1.20 0.04 0.39 2.43 -0.46 0.59 114.38 119.30 2b3w h ARG 98 Ca 0.18 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2b3w h ARG 98 Cb 0.22 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2b3w h ARG 98 CO -0.01 0.89 -0.02 -0.22 -1.51 0.00 0.00 179.97 179.10 2b3w h LYS 99 N 1.20 -0.05 -0.32 0.20 3.64 -0.90 -2.15 116.57 118.19 2b3w h LYS 99 Ca 0.30 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.66 2b3w h LYS 99 Cb 0.05 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2b3w h LYS 99 CO -0.05 0.22 0.11 0.00 -2.27 0.00 0.00 179.45 177.46 2b3w h ALA 100 N 0.63 0.41 -0.52 5.00 0.00 -0.98 -2.59 119.26 121.21 2b3w h ALA 100 Ca -0.01 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2b3w h ALA 100 Cb 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2b3w h ALA 100 CO 0.01 0.04 0.03 -0.07 0.00 0.00 0.00 179.25 179.25 2b3w h LEU 101 N 0.36 0.83 -0.77 0.00 3.38 -0.92 -1.75 115.31 116.44 2b3w h LEU 101 Ca 0.10 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 2b3w h LEU 101 Cb 0.23 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2b3w h LEU 101 CO -0.00 0.88 -0.24 -0.09 0.09 0.00 0.00 178.44 179.08 2b3w h ARG 102 N 0.81 0.68 -0.11 1.13 2.43 -1.29 -2.09 114.38 115.94 2b3w h ARG 102 Ca 0.16 -0.27 -0.07 0.00 -0.81 0.00 0.00 59.98 58.99 2b3w h ARG 102 Cb 0.45 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2b3w h ARG 102 CO 0.02 0.85 -0.25 0.00 -1.51 0.00 0.00 179.97 179.08 2b3w h ALA 103 N 1.15 1.37 -0.05 2.80 0.00 -1.08 0.12 119.26 123.57 2b3w h ALA 103 Ca 0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2b3w h ALA 103 Cb 0.72 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2b3w h ALA 103 CO 0.06 0.44 0.02 -0.22 0.00 0.00 0.00 179.25 179.55 2b3w h LYS 104 N 0.18 0.08 0.08 0.00 3.64 -0.67 -1.87 116.57 118.00 2b3w h LYS 104 Ca 0.03 -0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 59.13 2b3w h LYS 104 Cb 0.55 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 2b3w h LYS 104 CO 0.04 0.19 -1.31 0.74 -2.27 0.00 0.00 179.45 176.84 2b3w h PHE 105 N -0.05 0.29 0.00 1.91 0.04 -1.24 -2.79 116.94 115.10 2b3w h PHE 105 Ca 0.02 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.57 2b3w h PHE 105 Cb 0.14 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.28 2b3w h PHE 105 CO -0.03 1.21 0.00 0.93 -0.60 0.00 0.00 178.31 179.82 2b3w h GLU 106 N 0.04 0.00 0.06 1.51 5.08 -0.81 -3.22 114.58 117.25 2b3w h GLU 106 Ca -0.15 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.99 2b3w h GLU 106 Cb 1.93 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.17 2b3w h GLU 106 CO 0.16 0.00 -1.17 1.96 -1.00 0.00 0.00 179.01 178.95 2b3w h GLN 107 N 0.00 0.14 -4.17 2.33 7.50 -1.40 -3.42 115.11 116.09 2b3w h GLN 107 Ca 0.00 -0.23 -0.75 0.00 0.50 0.00 0.00 58.65 58.17 2b3w h GLN 107 Cb 0.73 0.09 -0.23 0.00 0.05 0.00 0.00 27.48 28.12 2b3w h GLN 107 CO 0.00 1.11 -0.19 -1.01 -1.50 0.00 0.00 178.83 177.24 2b3w s HIS 108 N -2.41 3.22 0.43 2.96 3.76 -1.05 -4.93 115.29 117.27 2b3w s HIS 108 Ca -0.22 -1.24 0.11 0.00 -0.15 0.00 0.00 55.06 53.56 2b3w s HIS 108 Cb 0.04 -3.80 0.93 0.00 1.11 0.00 0.00 32.58 30.86 2b3w s HIS 108 CO 0.70 -1.04 2.01 0.00 -0.85 0.00 0.00 174.74 175.56 2b3w h ALA 109 N 8.92 1.68 -0.17 -1.40 0.00 -1.83 -1.55 119.26 124.91 2b3w h ALA 109 Ca -0.30 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 2b3w h ALA 109 Cb 1.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2b3w h ALA 109 CO 1.04 0.24 -0.38 1.05 0.00 0.00 0.00 179.25 181.20 2b3w h GLU 110 N 0.22 0.38 -0.10 0.00 9.09 -1.92 -0.74 114.58 121.51 2b3w h GLU 110 Ca 0.05 -0.18 -0.19 0.00 0.05 0.00 0.00 59.36 59.10 2b3w h GLU 110 Cb 0.19 -0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.28 2b3w h GLU 110 CO 0.01 0.71 -0.72 -0.07 0.05 0.00 0.00 179.01 178.99 2b3w h LEU 111 N 0.32 0.58 -0.21 3.06 3.38 -1.63 -1.79 115.31 119.02 2b3w h LEU 111 Ca 0.03 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.65 2b3w h LEU 111 Cb 0.82 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2b3w h LEU 111 CO 0.07 1.12 0.07 -0.09 0.09 0.00 0.00 178.44 179.69 2b3w h ARG 112 N 0.34 0.16 -0.91 1.13 2.43 -0.93 0.42 114.38 117.03 2b3w h ARG 112 Ca -0.03 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2b3w h ARG 112 Cb 1.30 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.77 2b3w h ARG 112 CO 0.13 0.11 0.50 0.00 -1.51 0.00 0.00 179.97 179.19 2b3w h ALA 113 N 1.14 1.16 -0.60 2.80 0.00 -1.07 -1.69 119.26 120.99 2b3w h ALA 113 Ca 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2b3w h ALA 113 Cb 0.07 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 2b3w h ALA 113 CO -0.10 0.67 0.33 1.25 0.00 0.00 0.00 179.25 181.40 2b3w h LEU 114 N 1.27 0.75 0.59 0.00 5.85 -0.87 -1.49 115.31 121.41 2b3w h LEU 114 Ca 0.32 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 2b3w h LEU 114 Cb 0.03 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 40.87 2b3w h LEU 114 CO -0.05 0.62 -0.28 0.25 -0.34 0.00 0.00 178.44 178.64 2b3w h LEU 115 N 0.81 -0.67 -1.29 2.25 5.85 -0.45 -2.90 115.31 118.91 2b3w h LEU 115 Ca 0.21 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2b3w h LEU 115 Cb 0.04 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2b3w h LEU 115 CO -0.03 -0.41 0.00 -0.07 -0.34 0.00 0.00 178.44 177.59 2b3w h LEU 116 N -0.89 0.00 -0.19 2.25 4.07 -1.29 -1.89 115.31 117.37 2b3w h LEU 116 Ca -0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.88 2b3w h LEU 116 Cb 0.64 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.38 2b3w h LEU 116 CO 0.13 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.49 2b3w n ALA 117 N -1.88 2.04 0.43 1.53 0.00 -0.56 -2.90 120.51 119.16 2b3w n ALA 117 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.55 2b3w n ALA 117 Cb 0.19 -1.42 0.11 0.00 0.00 0.00 0.00 19.45 18.33 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 0.00 -3.26 0.00 1.35 -1.36 -3.42 112.91 106.22 2b3w h THR 118 Ca 0.00 -0.64 -0.57 0.00 -0.55 0.00 0.00 66.41 64.65 2b3w h THR 118 Cb 0.53 1.18 0.11 0.00 -1.73 0.00 0.00 68.15 68.24 2b3w h THR 118 CO 0.00 0.00 0.52 0.00 -0.25 0.00 0.00 175.52 175.79 2b3w n ALA 119 N -1.93 1.31 -1.36 6.62 0.00 -1.14 0.34 120.51 124.33 2b3w n ALA 119 Ca 0.02 0.37 -0.33 0.00 0.00 0.00 0.00 53.44 53.50 2b3w n ALA 119 Cb 0.47 -2.26 0.09 0.00 0.00 0.00 0.00 19.45 17.75 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 0.73 2.70 -1.98 0.00 -0.04 -1.26 -4.66 135.00 130.49 2b3w n PRO 120 Ca 0.05 -3.32 -0.33 0.00 -0.04 0.00 0.00 63.50 59.86 2b3w n PRO 120 Cb 0.36 -2.28 0.02 0.00 -0.04 0.00 0.00 33.50 31.56 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 -3.77 2.60 -0.19 0.55 0.00 0.15 -4.79 121.76 116.31 2b3w s ALA 121 Ca 0.63 0.58 -0.23 0.00 0.00 0.00 0.00 51.96 52.94 2b3w s ALA 121 Cb 0.50 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 20.30 2b3w s ALA 121 CO 0.00 -1.00 0.73 0.21 0.00 0.00 0.00 175.76 175.69 2b3w s LYS 122 N -3.86 4.23 -0.18 0.00 2.20 -0.86 -4.92 119.74 116.34 2b3w s LYS 122 Ca 0.67 0.80 -0.19 0.00 -0.36 0.00 0.00 55.97 56.89 2b3w s LYS 122 Cb -0.20 -3.59 -0.03 0.00 -1.51 0.00 0.00 37.83 32.50 2b3w s LYS 122 CO 0.36 -0.31 0.53 -0.51 -0.36 0.00 0.00 175.35 175.06 2b3w s LEU 123 N 2.13 4.17 -0.01 5.43 1.43 -1.26 -0.32 118.68 130.25 2b3w s LEU 123 Ca 0.33 0.73 0.01 0.00 -1.03 0.00 0.00 54.13 54.17 2b3w s LEU 123 Cb -0.16 -2.74 0.00 0.00 0.03 0.00 0.00 46.19 43.32 2b3w s LEU 123 CO 0.11 -0.16 -0.01 -0.69 0.23 0.00 0.00 176.35 175.82 2b3w s VAL 124 N 1.50 0.14 -0.05 -1.59 1.01 -0.42 -4.16 120.40 116.83 2b3w s VAL 124 Ca 0.25 -0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.19 2b3w s VAL 124 Cb -0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 2b3w s VAL 124 CO 0.10 0.06 0.00 -0.70 0.00 0.00 0.00 175.10 174.56 2b3w s GLU 125 N 0.16 2.91 -1.00 2.72 2.12 -1.26 -0.37 118.70 123.98 2b3w s GLU 125 Ca -0.01 -0.49 -0.04 0.00 0.36 0.00 0.00 54.97 54.78 2b3w s GLU 125 Cb -0.03 -2.74 0.26 0.00 0.26 0.00 0.00 34.13 31.88 2b3w s GLU 125 CO -0.00 0.67 1.04 1.58 -0.54 0.00 0.00 175.26 178.01 2b3w n HIS 126 N 1.82 4.24 -2.55 5.30 -0.00 -1.20 -2.92 115.22 119.92 2b3w n HIS 126 Ca -0.17 -3.77 -0.41 0.00 -0.00 0.00 0.00 57.72 53.37 2b3w n HIS 126 Cb 0.53 -1.34 -0.02 0.00 -0.00 0.00 0.00 29.99 29.16 2b3w n HIS 126 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2b3w s THR 127 N -1.69 3.98 -0.15 3.57 2.01 -1.26 -4.77 115.64 117.33 2b3w s THR 127 Ca 0.30 -1.16 0.19 0.00 0.31 0.00 0.00 61.69 61.33 2b3w s THR 127 Cb -0.05 -5.08 0.16 0.00 0.01 0.00 0.00 72.50 67.54 2b3w s THR 127 CO -0.06 -1.94 1.57 -0.08 -0.69 0.00 0.00 174.62 173.41 2b3w h GLU 128 N 9.04 0.00 0.00 4.92 4.22 -1.94 -2.45 114.58 128.38 2b3w h GLU 128 Ca 0.29 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.67 2b3w h GLU 128 Cb 0.96 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 2b3w h GLU 128 CO 1.43 0.34 -0.58 -2.95 -2.18 0.00 0.00 179.01 175.07 2b3w h ASN 129 N 0.00 0.00 -4.82 1.04 -1.07 -1.86 -3.40 115.58 105.47 2b3w h ASN 129 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.28 2b3w h ASN 129 Cb 1.16 0.00 -0.20 0.00 -2.07 0.00 0.00 38.32 37.21 2b3w h ASN 129 CO 0.04 0.24 -0.05 -0.62 0.07 0.00 0.00 177.43 177.10 2b3w s ASP 130 N -6.04 -0.44 -0.79 6.14 2.15 -1.23 -5.10 116.67 111.36 2b3w s ASP 130 Ca 0.03 0.51 -0.07 0.00 0.43 0.00 0.00 52.55 53.45 2b3w s ASP 130 Cb 0.07 0.53 0.20 0.00 -0.30 0.00 0.00 42.92 43.43 2b3w s ASP 130 CO 0.74 -0.47 0.68 0.00 -0.17 0.00 0.00 175.17 175.95 2b3w s ALA 131 N -1.01 3.99 0.00 3.66 0.00 -1.26 -4.03 121.76 123.12 2b3w s ALA 131 Ca -0.10 -3.45 0.00 0.00 0.00 0.00 0.00 51.96 48.40 2b3w s ALA 131 Cb -0.03 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.01 2b3w s ALA 131 CO 0.06 -2.19 0.00 0.98 0.00 0.00 0.00 175.76 174.61 2b3w n TYR 132 N 3.36 0.00 -2.34 0.00 4.19 -0.88 -4.78 117.16 116.70 2b3w n TYR 132 Ca 0.14 0.00 0.02 0.00 3.31 0.00 0.00 57.90 61.37 2b3w n TYR 132 Cb 0.41 0.00 0.06 0.00 0.49 0.00 0.00 39.34 40.30 2b3w n TYR 132 CO 0.00 0.00 0.00 0.91 0.91 0.00 0.00 176.86 178.68 2b3w n TRP 133 N -1.27 0.43 0.00 2.98 5.03 -1.00 -4.59 117.44 119.01 2b3w n TRP 133 Ca 0.00 -1.13 0.00 0.00 3.03 0.00 0.00 57.50 59.40 2b3w n TRP 133 Cb 0.00 -0.20 0.00 0.00 -1.03 0.00 0.00 31.31 30.08 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 -0.12 2.59 0.12 6.99 0.00 -0.06 -4.46 105.19 110.25 2b3w n GLY 134 Ca 0.12 0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.32 2b3w n GLY 134 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2b3w n ASP 135 N 0.00 0.97 0.00 1.61 5.75 -1.15 -1.27 116.55 122.46 2b3w n ASP 135 Ca 0.00 -0.98 0.00 0.00 -0.01 0.00 0.00 54.79 53.80 2b3w n ASP 135 Cb 0.00 0.80 0.00 0.00 -1.03 0.00 0.00 41.12 40.89 2b3w n ASP 135 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2b3w n GLY 136 N 1.22 0.37 1.64 6.12 0.00 -1.04 0.06 105.19 113.57 2b3w n GLY 136 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.48 0.58 0.81 -0.02 0.00 -0.95 -4.49 105.19 99.64 2b3w n GLY 137 Ca 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.82 0.00 0.00 1.61 1.44 -0.71 -5.01 115.22 109.73 2b3w n HIS 138 Ca 0.00 -0.33 0.00 0.00 -2.01 0.00 0.00 57.72 55.38 2b3w n HIS 138 Cb 0.00 0.41 0.00 0.00 0.12 0.00 0.00 29.99 30.52 2b3w n HIS 138 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2b3w n GLY 139 N 0.00 1.58 2.27 -1.39 0.00 0.11 -4.78 105.19 102.99 2b3w n GLY 139 Ca -0.18 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 3.48 -0.07 1.61 4.76 -1.07 -4.22 118.16 122.65 2b3w n LYS 140 Ca 0.00 -2.09 0.04 0.00 -2.87 0.00 0.00 58.31 53.40 2b3w n LYS 140 Cb 0.00 -2.66 0.06 0.00 -1.84 0.00 0.00 35.03 30.59 2b3w n LYS 140 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2b3w n GLY 141 N 3.27 3.14 2.25 0.72 0.00 -0.81 -4.69 105.19 109.08 2b3w n GLY 141 Ca 0.72 -0.50 -0.04 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.83 -1.21 0.00 1.61 5.02 -1.05 -0.89 118.16 120.81 2b3w n LYS 142 Ca 0.07 1.33 0.04 0.00 -2.02 0.00 0.00 58.31 57.73 2b3w n LYS 142 Cb 0.48 -3.79 0.22 0.00 -0.02 0.00 0.00 35.03 31.93 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 -0.55 0.00 0.29 4.39 4.05 -0.39 -1.57 115.26 121.48 2b3w n ASN 143 Ca 0.06 -0.77 0.19 0.00 0.45 0.00 0.00 54.58 54.50 2b3w n ASN 143 Cb 0.29 0.00 1.02 0.00 1.23 0.00 0.00 39.78 42.31 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 0.22 1.20 -0.00 -1.89 -1.30 114.38 112.60 2b3w h ARG 144 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.47 2b3w h ARG 144 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 2b3w h ARG 144 CO 0.00 0.00 -0.10 1.25 0.00 0.00 0.00 179.97 181.12 2b3w h LEU 145 N 0.00 -0.25 -1.05 3.04 5.85 -1.78 0.40 115.31 121.52 2b3w h LEU 145 Ca 0.00 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.56 2b3w h LEU 145 Cb 0.08 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 2b3w h LEU 145 CO 0.00 0.07 0.64 1.23 -0.34 0.00 0.00 178.44 180.04 2b3w h GLY 146 N -0.58 1.40 0.92 3.75 0.00 -1.42 0.14 103.07 107.28 2b3w h GLY 146 Ca -0.03 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 2b3w h GLY 146 CO 0.05 0.43 0.08 -1.82 0.00 0.00 0.00 176.54 175.28 2b3w h TYR 147 N 1.24 0.62 -0.40 5.60 3.20 -1.33 -1.77 116.97 124.13 2b3w h TYR 147 Ca 0.38 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 62.18 2b3w h TYR 147 Cb -0.02 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 2b3w h TYR 147 CO -0.00 0.62 0.25 1.25 -1.64 0.00 0.00 178.16 178.64 2b3w h LEU 148 N 0.44 0.47 -0.72 2.82 7.12 0.56 0.37 115.31 126.36 2b3w h LEU 148 Ca 0.11 -0.03 0.07 0.00 0.13 0.00 0.00 57.88 58.16 2b3w h LEU 148 Cb 0.31 -0.12 -0.06 0.00 -0.53 0.00 0.00 40.66 40.27 2b3w h LEU 148 CO 0.00 0.36 0.41 -0.07 -0.13 0.00 0.00 178.44 179.01 2b3w h LEU 149 N 0.53 0.60 -0.14 2.25 3.38 -0.62 0.53 115.31 121.84 2b3w h LEU 149 Ca 0.14 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 58.01 2b3w h LEU 149 Cb -0.03 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2b3w h LEU 149 CO -0.03 0.38 -0.44 0.24 0.09 0.00 0.00 178.44 178.68 2b3w h MET 150 N 0.73 0.55 -0.55 1.13 2.86 -0.78 -0.57 114.93 118.30 2b3w h MET 150 Ca 0.33 -0.40 -0.11 0.00 -2.06 0.00 0.00 59.70 57.46 2b3w h MET 150 Cb 0.23 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 2b3w h MET 150 CO -0.20 1.02 -0.07 1.49 1.06 0.00 0.00 176.91 180.21 2b3w h GLU 151 N 0.18 1.01 -0.46 1.72 4.81 0.03 -0.81 114.58 121.07 2b3w h GLU 151 Ca -0.01 -0.35 -0.09 0.00 -0.13 0.00 0.00 59.36 58.77 2b3w h GLU 151 Cb 1.06 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 2b3w h GLU 151 CO 0.09 1.04 -0.10 1.25 -0.73 0.00 0.00 179.01 180.56 2b3w h LEU 152 N 0.91 0.81 -1.30 1.64 5.85 0.04 -2.35 115.31 120.91 2b3w h LEU 152 Ca 0.15 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2b3w h LEU 152 Cb 0.63 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2b3w h LEU 152 CO 0.04 0.94 0.30 -0.09 -0.34 0.00 0.00 178.44 179.29 2b3w h ARG 153 N 0.75 0.78 -0.14 1.25 2.43 -0.58 0.19 114.38 119.06 2b3w h ARG 153 Ca 0.13 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2b3w h ARG 153 Cb 0.59 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 2b3w h ARG 153 CO 0.04 0.58 0.04 0.93 -1.51 0.00 0.00 179.97 180.05 2b3w h GLU 154 N 0.79 0.10 -0.34 0.20 4.39 -0.65 0.24 114.58 119.32 2b3w h GLU 154 Ca 0.20 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 2b3w h GLU 154 Cb 0.03 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2b3w h GLU 154 CO -0.03 0.07 0.15 0.37 -1.16 0.00 0.00 179.01 178.41 2b3w h GLN 155 N 0.10 0.49 -0.22 2.33 4.15 -0.97 0.15 115.11 121.14 2b3w h GLN 155 Ca 0.06 -0.08 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 2b3w h GLN 155 Cb 0.05 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 2b3w h GLN 155 CO -0.07 0.46 -0.09 -0.07 -1.93 0.00 0.00 178.83 177.13 2b3w h LEU 156 N 0.40 0.32 0.34 -2.39 3.38 -0.46 -2.82 115.31 114.08 2b3w h LEU 156 Ca 0.11 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2b3w h LEU 156 Cb 0.14 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2b3w h LEU 156 CO -0.01 0.45 -0.16 0.00 0.09 0.00 0.00 178.44 178.81 2b3w h ALA 157 N 1.59 -0.51 -0.89 1.53 0.00 -0.14 -3.28 119.26 117.57 2b3w h ALA 157 Ca 0.07 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2b3w h ALA 157 Cb 0.36 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2b3w h ALA 157 CO 0.02 -0.47 0.58 0.82 0.00 0.00 0.00 179.25 180.19 2b3w h ILE 158 N -0.99 1.10 -0.25 0.00 2.04 -0.97 1.03 117.51 119.47 2b3w h ILE 158 Ca -0.05 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 2b3w h ILE 158 Cb 0.35 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 2b3w h ILE 158 CO 0.08 0.19 -0.07 -0.33 0.00 0.00 0.00 178.15 178.02 2b3w h GLU 159 N 1.04 0.39 0.00 2.37 4.39 -1.66 0.22 114.58 121.33 2b3w h GLU 159 Ca 0.37 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.98 2b3w h GLU 159 Cb 0.13 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2b3w h GLU 159 CO -0.13 0.48 -1.41 1.63 -1.16 0.00 0.00 179.01 178.42 2b3w n LYS 160 N -4.27 0.63 0.08 2.33 5.02 -0.23 -3.83 118.16 117.88 2b3w n LYS 160 Ca 0.00 -0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 2b3w n LYS 160 Cb 0.26 -1.70 0.09 0.00 -0.02 0.00 0.00 35.03 33.66 2b3w n LYS 160 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2b3w h LEU 161 N 0.00 0.29 -0.42 -0.35 5.85 0.15 -3.00 115.31 117.83 2b3w h LEU 161 Ca -0.01 -0.17 0.09 0.00 0.84 0.00 0.00 57.88 58.63 2b3w h LEU 161 Cb 1.02 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.87 2b3w h LEU 161 CO 0.00 0.86 -0.25 -0.08 -0.34 0.00 0.00 178.44 178.63 2b3w h GLU 162 N 0.18 -0.16 0.00 1.25 4.22 -0.69 -3.44 114.58 115.93 2b3w h GLU 162 Ca -0.01 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2b3w h GLU 162 Cb 1.18 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2b3w h GLU 162 CO 0.10 -0.11 0.00 1.58 -2.18 0.00 0.00 179.01 178.40 2b3w n HIS 163 N -5.40 0.00 0.24 0.92 -0.00 -1.13 -4.65 115.22 105.19 2b3w n HIS 163 Ca 0.02 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.88 2b3w n HIS 163 Cb 0.31 -0.31 0.47 0.00 -0.00 0.00 0.00 29.99 30.45 2b3w n HIS 163 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2b3w h HIS 164 N 0.00 0.00 -1.53 1.57 3.86 -1.89 -3.41 115.15 113.74 2b3w h HIS 164 Ca 0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 2b3w h HIS 164 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 2b3w h HIS 164 CO 0.00 0.08 1.59 0.72 0.86 0.00 0.00 177.93 181.19 2b3w n HIS 165 N -3.17 1.51 -4.16 2.45 8.25 -1.26 -4.93 115.22 113.92 2b3w n HIS 165 Ca 0.01 0.09 -0.34 0.00 -0.26 0.00 0.00 57.72 57.23 2b3w n HIS 165 Cb 0.42 -2.63 -0.15 0.00 1.12 0.00 0.00 29.99 28.74 2b3w n HIS 165 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2b3w s HIS 166 N 10.57 2.82 0.00 4.41 3.76 -1.26 -4.93 115.29 130.66 2b3w s HIS 166 Ca 1.03 -1.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.60 2b3w s HIS 166 Cb -0.36 -1.96 0.00 0.00 1.11 0.00 0.00 32.58 31.37 2b3w s HIS 166 CO 0.32 -0.67 0.93 1.58 -0.85 0.00 0.00 174.74 176.05 2b3w n HIS 167 N 4.55 0.00 -0.94 1.40 -0.00 -1.26 -5.27 115.22 113.69 2b3w n HIS 167 Ca -0.20 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.98 2b3w n HIS 167 Cb 0.51 -0.03 0.00 0.00 -0.12 0.00 0.00 29.99 30.35 2b3w n HIS 167 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52