#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bxt s SER 2 N 0.00 0.50 -0.02 6.43 1.04 -1.26 -4.71 113.70 115.67 1bxt s SER 2 Ca 0.00 -1.09 -0.23 0.00 0.48 0.00 0.00 55.95 55.11 1bxt s SER 2 Cb 0.00 0.23 -0.05 0.00 0.10 0.00 0.00 66.02 66.30 1bxt s SER 2 CO 0.00 -0.64 0.68 -1.58 0.98 0.00 0.00 173.24 172.68 1bxt s GLN 3 N -3.97 4.42 0.34 4.02 0.74 0.57 -4.92 119.66 120.86 1bxt s GLN 3 Ca 0.15 0.88 -0.29 0.00 0.05 0.00 0.00 55.36 56.15 1bxt s GLN 3 Cb 0.07 -3.40 -0.11 0.00 1.10 0.00 0.00 33.01 30.68 1bxt s GLN 3 CO -0.04 0.20 1.46 -2.14 -0.55 0.00 0.00 175.29 174.23 1bxt s PRO 4 N 0.31 4.17 0.92 1.67 0.02 -1.26 -4.63 135.00 136.21 1bxt s PRO 4 Ca 0.36 2.48 -0.11 0.00 0.02 0.00 0.00 61.00 63.75 1bxt s PRO 4 Cb -0.18 -3.01 0.12 0.00 0.02 0.00 0.00 34.50 31.44 1bxt s PRO 4 CO 0.19 -0.47 0.95 -0.25 -0.33 0.00 0.00 177.00 177.09 1bxt n ASP 5 N 1.00 -0.28 -4.78 2.53 8.00 -1.26 -4.94 116.55 116.81 1bxt n ASP 5 Ca 0.03 0.40 -0.37 0.00 0.71 0.00 0.00 54.79 55.56 1bxt n ASP 5 Cb 0.39 -1.41 -0.05 0.00 -0.02 0.00 0.00 41.12 40.04 1bxt n ASP 5 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1bxt s PRO 6 N -4.36 4.27 0.29 -0.24 0.04 -1.26 -5.05 135.00 128.70 1bxt s PRO 6 Ca 0.64 1.47 -0.03 0.00 0.04 0.00 0.00 61.00 63.13 1bxt s PRO 6 Cb -0.23 -2.61 -0.05 0.00 0.04 0.00 0.00 34.50 31.66 1bxt s PRO 6 CO 0.60 -0.04 0.54 -0.08 0.04 0.00 0.00 177.00 178.06 1bxt s THR 7 N -1.65 5.06 0.31 1.26 -1.32 -1.26 -4.96 115.64 113.08 1bxt s THR 7 Ca 0.56 -0.10 0.07 0.00 -1.21 0.00 0.00 61.69 61.00 1bxt s THR 7 Cb -0.21 -3.76 0.30 0.00 -1.51 0.00 0.00 72.50 67.32 1bxt s THR 7 CO 0.27 -0.36 1.75 -0.65 -2.21 0.00 0.00 174.62 173.41 1bxt h PRO 8 N 1.50 0.63 0.00 7.08 0.11 -1.97 0.93 132.00 140.28 1bxt h PRO 8 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1bxt h PRO 8 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1bxt h PRO 8 CO 0.65 0.42 0.00 0.39 -0.21 0.00 0.00 178.00 179.25 1bxt n GLU 9 N -4.85 0.09 -0.02 1.05 4.71 -1.26 -2.67 120.64 117.70 1bxt n GLU 9 Ca 0.24 0.28 0.13 0.00 -0.01 0.00 0.00 57.16 57.80 1bxt n GLU 9 Cb 0.64 -1.66 0.42 0.00 -1.01 0.00 0.00 31.44 29.83 1bxt n GLU 9 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1bxt n GLN 10 N -1.83 1.82 -4.56 3.49 6.02 0.32 -4.90 117.38 117.73 1bxt n GLN 10 Ca 0.04 -1.20 -0.34 0.00 -0.01 0.00 0.00 57.00 55.49 1bxt n GLN 10 Cb 0.24 -1.47 -0.11 0.00 1.02 0.00 0.00 30.24 29.92 1bxt n GLN 10 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1bxt s LEU 11 N -1.92 3.23 0.34 1.08 1.43 -1.09 -4.90 118.68 116.85 1bxt s LEU 11 Ca 0.35 -0.02 -0.28 0.00 -1.03 0.00 0.00 54.13 53.15 1bxt s LEU 11 Cb 0.20 -1.73 -0.10 0.00 0.03 0.00 0.00 46.19 44.59 1bxt s LEU 11 CO 0.32 0.35 1.30 0.20 0.23 0.00 0.00 176.35 178.75 1bxt s ASN 12 N -0.92 6.73 -0.28 2.29 0.01 -1.26 -5.01 114.94 116.50 1bxt s ASN 12 Ca 0.13 2.67 -0.11 0.00 -0.71 0.00 0.00 52.86 54.84 1bxt s ASN 12 Cb -0.11 -2.65 -0.05 0.00 0.41 0.00 0.00 41.25 38.85 1bxt s ASN 12 CO 0.03 -0.56 0.19 -0.54 -1.51 0.00 0.00 177.10 174.71 1bxt s LYS 13 N -1.84 3.96 0.42 -0.60 3.01 -1.26 -4.43 119.74 118.99 1bxt s LYS 13 Ca 0.50 -0.31 0.09 0.00 -1.01 0.00 0.00 55.97 55.24 1bxt s LYS 13 Cb -0.39 -3.65 0.89 0.00 -1.01 0.00 0.00 37.83 33.67 1bxt s LYS 13 CO 0.52 -0.17 2.04 0.66 0.51 0.00 0.00 175.35 178.91 1bxt h SER 14 N 8.32 0.37 0.18 2.83 4.64 -1.15 -0.88 113.55 127.85 1bxt h SER 14 Ca -0.35 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1bxt h SER 14 Cb 1.19 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1bxt h SER 14 CO 0.56 0.31 0.00 0.77 -0.87 0.00 0.00 176.83 177.60 1bxt h SER 15 N 0.42 0.00 -0.12 4.97 4.64 -1.87 -0.11 113.55 121.48 1bxt h SER 15 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1bxt h SER 15 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1bxt h SER 15 CO -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.94 1bxt n GLN 16 N -2.67 2.14 -3.81 4.77 6.02 -0.34 -4.79 117.38 118.70 1bxt n GLN 16 Ca -0.02 -1.67 -0.36 0.00 -0.01 0.00 0.00 57.00 54.94 1bxt n GLN 16 Cb 0.10 -1.47 -0.11 0.00 1.02 0.00 0.00 30.24 29.78 1bxt n GLN 16 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1bxt s PHE 17 N -1.86 3.20 -1.70 1.08 5.36 -0.05 -1.59 117.98 122.41 1bxt s PHE 17 Ca 0.33 -0.06 0.15 0.00 -0.96 0.00 0.00 56.93 56.39 1bxt s PHE 17 Cb 0.21 -2.21 0.19 0.00 -0.34 0.00 0.00 43.02 40.86 1bxt s PHE 17 CO 0.31 -0.08 1.06 0.25 -1.46 0.00 0.00 175.22 175.29 1bxt n THR 18 N 4.36 0.24 -0.53 0.12 -2.24 0.14 -4.91 114.28 111.46 1bxt n THR 18 Ca -0.16 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1bxt n THR 18 Cb 0.52 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 1bxt n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bxt n GLY 19 N 0.84 -0.38 3.47 3.38 0.00 -1.22 -4.84 105.19 106.45 1bxt n GLY 19 Ca 0.10 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 1bxt n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bxt s VAL 20 N 0.12 4.86 0.22 1.61 1.01 -1.26 -4.77 120.40 122.19 1bxt s VAL 20 Ca 0.00 -0.27 0.30 0.00 0.00 0.00 0.00 61.98 62.00 1bxt s VAL 20 Cb 0.00 -4.26 0.30 0.00 0.00 0.00 0.00 36.38 32.42 1bxt s VAL 20 CO 0.00 -0.72 1.90 -0.03 0.00 0.00 0.00 175.10 176.25 1bxt h MET 21 N 8.95 0.00 0.00 2.72 4.05 -0.30 -1.12 114.93 129.23 1bxt h MET 21 Ca -0.27 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.15 1bxt h MET 21 Cb 1.10 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.90 1bxt h MET 21 CO 0.93 0.00 -0.01 0.78 0.23 0.00 0.00 176.91 178.84 1bxt h GLY 22 N 0.00 0.00 2.00 1.39 0.00 -0.97 -0.35 103.07 105.14 1bxt h GLY 22 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1bxt h GLY 22 CO 0.00 0.00 -0.24 3.43 0.00 0.00 0.00 176.54 179.73 1bxt h ASN 23 N 0.00 0.00 0.15 0.19 2.35 -1.49 -1.67 115.58 115.11 1bxt h ASN 23 Ca -0.00 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.39 1bxt h ASN 23 Cb 0.14 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1bxt h ASN 23 CO 0.00 0.24 -2.07 -0.11 -1.65 0.00 0.00 177.43 173.84 1bxt n LEU 24 N -3.33 2.37 -0.29 1.61 7.94 -0.38 -4.26 117.00 120.66 1bxt n LEU 24 Ca 0.01 0.16 -0.01 0.00 -1.11 0.00 0.00 56.01 55.06 1bxt n LEU 24 Cb 0.48 -0.85 0.11 0.00 0.53 0.00 0.00 43.42 43.69 1bxt n LEU 24 CO 0.34 0.80 1.18 -0.09 -1.11 0.00 0.00 177.39 178.51 1bxt h ARG 25 N 0.05 0.92 0.00 1.96 2.43 -1.02 -2.04 114.38 116.69 1bxt h ARG 25 Ca -0.44 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1bxt h ARG 25 Cb 2.02 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 31.36 1bxt h ARG 25 CO 0.05 0.61 0.00 0.00 -1.51 0.00 0.00 179.97 179.12 1bxt n LEU 27 N -1.72 0.63 0.00 0.00 4.77 -0.76 -4.27 117.00 115.64 1bxt n LEU 27 Ca 0.01 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1bxt n LEU 27 Cb 0.08 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1bxt n LEU 27 CO 0.08 -0.07 0.13 -1.22 -1.33 0.00 0.00 177.39 174.98 1bxt n TYR 28 N -2.01 0.00 -0.06 -1.77 4.01 -0.53 -4.78 117.16 112.02 1bxt n TYR 28 Ca 0.05 -0.03 -0.01 0.00 -0.16 0.00 0.00 57.90 57.74 1bxt n TYR 28 Cb 0.41 -0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.28 1bxt n TYR 28 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1bxt n ASP 29 N -0.03 0.06 0.00 7.72 5.75 -0.63 -3.31 116.55 126.11 1bxt n ASP 29 Ca 0.00 0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.81 1bxt n ASP 29 Cb 0.23 1.32 0.00 0.00 -1.03 0.00 0.00 41.12 41.65 1bxt n ASP 29 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1bxt n ASN 30 N -2.57 0.00 -4.89 -1.12 6.94 -1.26 -5.02 115.26 107.34 1bxt n ASN 30 Ca -0.20 0.00 -0.29 0.00 -0.02 0.00 0.00 54.58 54.07 1bxt n ASN 30 Cb 0.91 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 38.33 1bxt n ASN 30 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1bxt s HIS 31 N 4.24 3.57 0.13 -2.53 3.76 -1.26 -5.08 115.29 118.12 1bxt s HIS 31 Ca 0.00 0.97 0.10 0.00 -0.15 0.00 0.00 55.06 55.98 1bxt s HIS 31 Cb 0.00 -2.48 -0.04 0.00 1.11 0.00 0.00 32.58 31.17 1bxt s HIS 31 CO 0.00 -0.46 -0.23 -0.06 -0.85 0.00 0.00 174.74 173.14 1bxt s PHE 32 N -2.91 2.05 0.25 1.40 0.08 -1.26 -4.91 117.98 112.67 1bxt s PHE 32 Ca 0.50 -0.40 -0.31 0.00 0.12 0.00 0.00 56.93 56.85 1bxt s PHE 32 Cb -0.11 -1.09 -0.11 0.00 -0.57 0.00 0.00 43.02 41.15 1bxt s PHE 32 CO 0.48 0.31 1.58 0.08 -0.10 0.00 0.00 175.22 177.57 1bxt s VAL 33 N -1.30 2.27 -0.03 -0.44 1.01 -0.61 -4.86 120.40 116.45 1bxt s VAL 33 Ca 0.12 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.31 1bxt s VAL 33 Cb -0.09 -3.14 0.03 0.00 0.00 0.00 0.00 36.38 33.17 1bxt s VAL 33 CO 0.06 0.03 0.06 -1.61 0.00 0.00 0.00 175.10 173.64 1bxt s GLU 34 N 0.04 0.01 0.00 2.72 2.02 -1.26 -2.33 118.70 119.90 1bxt s GLU 34 Ca 0.65 0.20 0.01 0.00 0.02 0.00 0.00 54.97 55.85 1bxt s GLU 34 Cb -0.46 -0.17 -0.00 0.00 0.10 0.00 0.00 34.13 33.59 1bxt s GLU 34 CO 0.42 -0.13 -0.04 0.20 0.02 0.00 0.00 175.26 175.73 1bxt s GLY 35 N 0.86 0.19 -0.14 -1.39 0.00 -0.57 -4.96 107.32 101.31 1bxt s GLY 35 Ca -0.07 -0.21 0.01 0.00 0.00 0.00 0.00 44.72 44.45 1bxt s GLY 35 CO -0.03 -0.19 -0.18 -1.59 0.00 0.00 0.00 173.10 171.11 1bxt s THR 36 N -0.23 1.79 -1.02 0.90 2.01 -1.26 -1.31 115.64 116.52 1bxt s THR 36 Ca -0.00 -0.80 -0.14 0.00 0.31 0.00 0.00 61.69 61.07 1bxt s THR 36 Cb -0.02 -1.63 -0.01 0.00 0.01 0.00 0.00 72.50 70.85 1bxt s THR 36 CO -0.00 0.50 0.76 -3.20 -0.69 0.00 0.00 174.62 171.99 1bxt n ASN 37 N 4.43 -5.77 -4.68 3.53 5.15 -0.76 -4.98 115.26 112.18 1bxt n ASN 37 Ca -0.19 -0.83 -0.24 0.00 -0.60 0.00 0.00 54.58 52.71 1bxt n ASN 37 Cb 0.51 -3.55 -0.08 0.00 -0.53 0.00 0.00 39.78 36.13 1bxt n ASN 37 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1bxt s VAL 38 N -3.31 2.64 -0.04 3.44 -7.23 -0.16 -4.79 120.40 110.96 1bxt s VAL 38 Ca 0.33 -1.85 0.03 0.00 -1.81 0.00 0.00 61.98 58.68 1bxt s VAL 38 Cb -0.11 -2.89 0.00 0.00 0.56 0.00 0.00 36.38 33.94 1bxt s VAL 38 CO 0.84 -0.15 -0.13 -0.60 -0.31 0.00 0.00 175.10 174.76 1bxt s ARG 39 N -3.79 1.35 0.31 4.82 3.00 -1.26 -1.02 118.95 122.37 1bxt s ARG 39 Ca 0.37 -0.43 -0.29 0.00 -1.00 0.00 0.00 55.73 54.38 1bxt s ARG 39 Cb 0.00 -1.20 -0.13 0.00 0.00 0.00 0.00 34.95 33.62 1bxt s ARG 39 CO 0.21 0.16 1.31 0.45 0.00 0.00 0.00 175.30 177.42 1bxt n SER 40 N 3.28 2.70 -0.57 -2.12 2.88 -1.26 -4.42 113.62 114.11 1bxt n SER 40 Ca -0.19 1.19 0.09 0.00 -1.33 0.00 0.00 58.87 58.63 1bxt n SER 40 Cb 0.53 -1.46 0.04 0.00 -0.75 0.00 0.00 64.21 62.57 1bxt n SER 40 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1bxt n THR 41 N 0.73 0.00 -3.71 2.46 -2.24 0.51 -4.98 114.28 107.04 1bxt n THR 41 Ca 0.07 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1bxt n THR 41 Cb 0.35 1.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 1bxt n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bxt n GLY 42 N 1.09 -1.08 3.60 3.38 0.00 -1.22 -5.01 105.19 105.96 1bxt n GLY 42 Ca 0.09 -1.06 -0.07 0.00 0.00 0.00 0.00 46.02 44.98 1bxt n GLY 42 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bxt s GLN 43 N -1.43 0.38 -0.17 1.61 -2.07 -1.26 -0.34 119.66 116.38 1bxt s GLN 43 Ca 0.00 0.09 -0.21 0.00 -1.82 0.00 0.00 55.36 53.42 1bxt s GLN 43 Cb 0.00 0.18 -0.18 0.00 -1.09 0.00 0.00 33.01 31.92 1bxt s GLN 43 CO 0.00 -0.12 0.32 1.25 -1.32 0.00 0.00 175.29 175.42 1bxt h LEU 44 N 2.35 0.00 0.00 2.60 5.85 -1.95 -3.49 115.31 120.67 1bxt h LEU 44 Ca -0.14 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.02 1bxt h LEU 44 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1bxt h LEU 44 CO 0.27 1.16 0.00 0.18 -0.34 0.00 0.00 178.44 179.71 1bxt n LEU 45 N -4.54 0.00 -0.31 2.25 4.32 -1.26 -5.04 117.00 112.42 1bxt n LEU 45 Ca -0.19 0.00 0.14 0.00 -0.02 0.00 0.00 56.01 55.94 1bxt n LEU 45 Cb 0.51 0.00 0.64 0.00 -1.62 0.00 0.00 43.42 42.94 1bxt n LEU 45 CO 0.21 0.00 0.93 0.00 -1.22 0.00 0.00 177.39 177.31 1bxt n GLN 46 N 0.00 1.43 -0.96 3.23 6.02 -1.26 -3.97 117.38 121.86 1bxt n GLN 46 Ca 0.00 -0.62 0.05 0.00 -0.01 0.00 0.00 57.00 56.41 1bxt n GLN 46 Cb 0.00 -1.46 0.09 0.00 1.02 0.00 0.00 30.24 29.89 1bxt n GLN 46 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1bxt n HIS 47 N -0.23 0.00 -4.20 1.08 1.44 -1.26 -4.18 115.22 107.87 1bxt n HIS 47 Ca 0.20 -0.81 -0.12 0.00 -2.01 0.00 0.00 57.72 54.98 1bxt n HIS 47 Cb 0.26 -0.17 -0.10 0.00 0.12 0.00 0.00 29.99 30.10 1bxt n HIS 47 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 1bxt s ASP 48 N -2.37 0.36 -0.09 4.39 1.47 -1.25 -0.70 116.67 118.49 1bxt s ASP 48 Ca 0.31 -1.32 -0.09 0.00 1.18 0.00 0.00 52.55 52.64 1bxt s ASP 48 Cb 0.33 0.32 0.02 0.00 -0.34 0.00 0.00 42.92 43.25 1bxt s ASP 48 CO -0.10 -0.78 0.25 -0.76 0.68 0.00 0.00 175.17 174.46 1bxt s LEU 49 N -3.14 1.06 -0.12 2.11 1.43 -0.70 -4.67 118.68 114.66 1bxt s LEU 49 Ca 0.33 0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 53.87 1bxt s LEU 49 Cb 0.07 0.86 -0.03 0.00 0.03 0.00 0.00 46.19 47.12 1bxt s LEU 49 CO 0.08 -0.11 -0.04 -0.63 0.23 0.00 0.00 176.35 175.88 1bxt s ILE 50 N 0.02 3.92 -0.00 -0.59 1.01 0.53 -1.29 121.20 124.80 1bxt s ILE 50 Ca -0.01 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.35 1bxt s ILE 50 Cb -0.02 -2.68 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 1bxt s ILE 50 CO 0.01 0.54 -0.25 -0.36 0.00 0.00 0.00 174.94 174.87 1bxt s PHE 51 N -0.12 2.21 -0.83 3.97 0.08 0.16 -0.36 117.98 123.09 1bxt s PHE 51 Ca 0.03 -0.41 -0.08 0.00 0.12 0.00 0.00 56.93 56.59 1bxt s PHE 51 Cb -0.13 -1.40 -0.16 0.00 -0.57 0.00 0.00 43.02 40.77 1bxt s PHE 51 CO 0.02 0.00 3.06 -0.35 -0.10 0.00 0.00 175.22 177.86 1bxt n PRO 52 N 2.29 2.70 -3.19 0.24 -0.04 -1.26 -1.30 135.00 134.43 1bxt n PRO 52 Ca -0.16 -1.55 -0.42 0.00 -0.04 0.00 0.00 63.50 61.33 1bxt n PRO 52 Cb 0.52 -2.39 -0.07 0.00 -0.04 0.00 0.00 33.50 31.52 1bxt n PRO 52 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1bxt s ILE 53 N 1.85 4.97 0.07 0.52 1.01 -1.26 -4.88 121.20 123.49 1bxt s ILE 53 Ca 0.63 0.38 -0.09 0.00 0.00 0.00 0.00 60.65 61.57 1bxt s ILE 53 Cb 0.22 -4.02 -0.06 0.00 0.01 0.00 0.00 42.46 38.62 1bxt s ILE 53 CO -0.03 -0.28 0.38 -0.54 0.00 0.00 0.00 174.94 174.47 1bxt s LYS 54 N 2.51 3.72 -0.88 2.79 3.01 -1.26 -2.56 119.74 127.08 1bxt s LYS 54 Ca 0.21 0.11 -0.22 0.00 -1.01 0.00 0.00 55.97 55.06 1bxt s LYS 54 Cb -0.15 -2.99 0.08 0.00 -1.01 0.00 0.00 37.83 33.76 1bxt s LYS 54 CO 0.14 0.56 1.21 0.34 0.51 0.00 0.00 175.35 178.11 1bxt s ASP 55 N -1.82 6.44 0.22 2.83 2.15 0.63 -4.82 116.67 122.31 1bxt s ASP 55 Ca 0.33 -1.47 0.05 0.00 0.43 0.00 0.00 52.55 51.89 1bxt s ASP 55 Cb -0.14 -2.47 0.19 0.00 -0.30 0.00 0.00 42.92 40.20 1bxt s ASP 55 CO 0.18 -1.36 1.51 -0.07 -0.17 0.00 0.00 175.17 175.27 1bxt h LEU 56 N 11.61 0.20 0.39 -1.34 -0.00 -1.96 -1.20 115.31 123.01 1bxt h LEU 56 Ca 0.03 -0.13 -0.02 0.00 -0.00 0.00 0.00 57.88 57.76 1bxt h LEU 56 Cb 1.03 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.64 1bxt h LEU 56 CO 1.24 0.83 -0.19 0.11 -0.00 0.00 0.00 178.44 180.43 1bxt h LYS 57 N 0.12 -0.50 -0.05 1.13 6.56 -2.00 -3.39 116.57 118.44 1bxt h LYS 57 Ca -0.02 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1bxt h LYS 57 Cb 1.23 0.11 0.00 0.00 -0.57 0.00 0.00 32.23 33.00 1bxt h LYS 57 CO 0.10 -0.33 0.00 1.28 -2.06 0.00 0.00 179.45 178.44 1bxt n LEU 58 N -3.75 1.87 -3.73 2.94 4.77 -1.26 -5.01 117.00 112.84 1bxt n LEU 58 Ca -0.06 -1.17 -0.24 0.00 -0.03 0.00 0.00 56.01 54.51 1bxt n LEU 58 Cb 0.20 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1bxt n LEU 58 CO 0.16 0.39 0.06 0.29 -1.33 0.00 0.00 177.39 176.96 1bxt n LYS 59 N 0.44 -5.80 0.01 3.23 4.01 -0.45 -4.90 118.16 114.69 1bxt n LYS 59 Ca 0.06 0.67 0.11 0.00 -0.51 0.00 0.00 58.31 58.64 1bxt n LYS 59 Cb 0.24 -5.48 0.06 0.00 -0.51 0.00 0.00 35.03 29.34 1bxt n LYS 59 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1bxt n ASN 60 N -2.98 0.70 -3.56 4.39 5.03 -1.26 -4.96 115.26 112.61 1bxt n ASN 60 Ca -0.14 -0.50 -0.15 0.00 0.87 0.00 0.00 54.58 54.66 1bxt n ASN 60 Cb 0.61 0.67 -0.06 0.00 -1.02 0.00 0.00 39.78 39.98 1bxt n ASN 60 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 1bxt s TYR 61 N -3.05 -0.60 -1.17 3.10 -0.85 -1.26 -4.29 117.35 109.23 1bxt s TYR 61 Ca 0.08 1.13 0.18 0.00 -0.52 0.00 0.00 57.07 57.94 1bxt s TYR 61 Cb 0.16 0.40 -0.12 0.00 0.38 0.00 0.00 41.96 42.78 1bxt s TYR 61 CO 0.79 -0.48 0.83 -0.25 -1.52 0.00 0.00 175.55 174.91 1bxt n ASP 62 N 1.22 1.20 -3.77 -0.18 8.00 -1.26 -0.27 116.55 121.50 1bxt n ASP 62 Ca -0.16 -1.10 -0.06 0.00 0.71 0.00 0.00 54.79 54.18 1bxt n ASP 62 Cb 0.57 0.80 -0.02 0.00 -0.02 0.00 0.00 41.12 42.45 1bxt n ASP 62 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1bxt s SER 63 N -2.46 -0.25 0.00 -2.24 1.04 -1.06 -3.98 113.70 104.75 1bxt s SER 63 Ca 0.10 -0.45 0.01 0.00 0.48 0.00 0.00 55.95 56.09 1bxt s SER 63 Cb 0.14 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.86 1bxt s SER 63 CO 0.63 -1.10 -0.04 -0.69 0.98 0.00 0.00 173.24 173.01 1bxt s VAL 64 N -3.61 0.33 -0.16 5.02 1.01 -0.42 -3.63 120.40 118.94 1bxt s VAL 64 Ca 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 1bxt s VAL 64 Cb -0.04 -0.30 -0.00 0.00 0.00 0.00 0.00 36.38 36.04 1bxt s VAL 64 CO 0.03 0.04 -0.13 -0.75 0.00 0.00 0.00 175.10 174.29 1bxt s LYS 65 N -0.26 3.28 -0.00 2.72 2.20 0.25 -0.66 119.74 127.27 1bxt s LYS 65 Ca 0.00 -0.71 0.05 0.00 -0.36 0.00 0.00 55.97 54.94 1bxt s LYS 65 Cb -0.02 -2.70 -0.03 0.00 -1.51 0.00 0.00 37.83 33.56 1bxt s LYS 65 CO -0.00 0.01 -0.13 -0.08 -0.36 0.00 0.00 175.35 174.79 1bxt s THR 66 N 0.87 3.18 0.06 3.43 -1.32 -0.41 -0.24 115.64 121.21 1bxt s THR 66 Ca -0.04 -0.89 0.06 0.00 -1.21 0.00 0.00 61.69 59.62 1bxt s THR 66 Cb -0.15 -2.32 -0.04 0.00 -1.51 0.00 0.00 72.50 68.48 1bxt s THR 66 CO -0.00 0.44 -0.12 -1.61 -2.21 0.00 0.00 174.62 171.12 1bxt s GLU 67 N -1.19 2.20 0.34 7.08 2.02 0.18 -1.72 118.70 127.62 1bxt s GLU 67 Ca 0.14 -0.95 0.08 0.00 0.02 0.00 0.00 54.97 54.27 1bxt s GLU 67 Cb -0.11 -2.31 -0.07 0.00 0.10 0.00 0.00 34.13 31.74 1bxt s GLU 67 CO 0.04 0.54 -0.06 -0.06 0.02 0.00 0.00 175.26 175.74 1bxt s PHE 68 N -1.08 2.33 -2.14 1.61 0.08 0.12 -1.24 117.98 117.66 1bxt s PHE 68 Ca 0.18 -0.58 0.18 0.00 0.12 0.00 0.00 56.93 56.83 1bxt s PHE 68 Cb -0.11 -1.40 0.76 0.00 -0.57 0.00 0.00 43.02 41.69 1bxt s PHE 68 CO 0.10 0.49 1.53 0.27 -0.10 0.00 0.00 175.22 177.50 1bxt n ASN 69 N -0.79 1.07 -3.46 1.36 0.23 0.03 -4.84 115.26 108.87 1bxt n ASN 69 Ca -0.05 -1.67 -0.14 0.00 -0.53 0.00 0.00 54.58 52.19 1bxt n ASN 69 Cb 0.64 -0.08 -0.03 0.00 -2.08 0.00 0.00 39.78 38.23 1bxt n ASN 69 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1bxt s SER 70 N -1.47 -0.59 0.21 0.53 0.15 -1.26 -5.03 113.70 106.23 1bxt s SER 70 Ca 0.28 0.23 -0.01 0.00 0.70 0.00 0.00 55.95 57.15 1bxt s SER 70 Cb 0.14 0.58 0.18 0.00 -1.71 0.00 0.00 66.02 65.21 1bxt s SER 70 CO 0.22 -0.85 1.54 0.11 1.20 0.00 0.00 173.24 175.46 1bxt h LYS 71 N 2.33 0.46 -0.52 5.44 1.57 -1.89 -3.17 116.57 120.80 1bxt h LYS 71 Ca -0.32 -0.29 0.04 0.00 -1.87 0.00 0.00 60.65 58.21 1bxt h LYS 71 Cb 1.25 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.55 1bxt h LYS 71 CO 0.38 0.88 0.28 -0.44 -0.57 0.00 0.00 179.45 179.99 1bxt h ASP 72 N 0.36 0.43 -0.69 0.86 3.32 -1.96 0.79 116.42 119.52 1bxt h ASP 72 Ca 0.01 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1bxt h ASP 72 Cb 1.06 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 1bxt h ASP 72 CO 0.10 0.30 0.38 -0.07 -1.72 0.00 0.00 179.24 178.22 1bxt h LEU 73 N 0.55 0.87 -0.64 1.55 3.38 -1.93 0.87 115.31 119.96 1bxt h LEU 73 Ca 0.22 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1bxt h LEU 73 Cb 0.10 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1bxt h LEU 73 CO -0.13 0.71 -0.07 0.00 0.09 0.00 0.00 178.44 179.04 1bxt h ALA 74 N 1.19 0.85 -0.37 1.53 0.00 -1.47 -2.80 119.26 118.18 1bxt h ALA 74 Ca 0.24 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1bxt h ALA 74 Cb 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1bxt h ALA 74 CO -0.04 0.66 -0.21 0.00 0.00 0.00 0.00 179.25 179.66 1bxt h THR 75 N 0.90 1.27 -0.47 0.00 1.03 -0.42 -0.96 112.91 114.25 1bxt h THR 75 Ca 0.15 -1.29 0.00 0.00 -0.01 0.00 0.00 66.41 65.27 1bxt h THR 75 Cb 0.61 1.21 -0.02 0.00 -1.07 0.00 0.00 68.15 68.88 1bxt h THR 75 CO 0.04 0.43 0.31 0.50 -0.01 0.00 0.00 175.52 176.79 1bxt h LYS 76 N 0.62 0.62 -0.03 0.00 3.64 -0.58 -3.11 116.57 117.73 1bxt h LYS 76 Ca 0.09 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1bxt h LYS 76 Cb 0.69 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1bxt h LYS 76 CO 0.05 0.41 -0.01 0.66 -2.27 0.00 0.00 179.45 178.29 1bxt n TYR 77 N -4.76 0.00 -0.18 1.91 4.01 -1.11 -4.62 117.16 112.42 1bxt n TYR 77 Ca 0.02 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.72 1bxt n TYR 77 Cb 0.02 -0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.07 1bxt n TYR 77 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1bxt h LYS 78 N 4.27 -0.12 -0.33 -0.72 3.64 -1.09 -2.88 116.57 119.33 1bxt h LYS 78 Ca 0.00 0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.22 1bxt h LYS 78 Cb 0.92 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.66 1bxt h LYS 78 CO 0.00 -0.08 -0.10 0.09 -2.27 0.00 0.00 179.45 177.08 1bxt n ASN 79 N -5.43 2.44 -4.69 4.20 4.13 -1.26 -4.21 115.26 110.45 1bxt n ASN 79 Ca 0.04 -3.78 -0.25 0.00 1.68 0.00 0.00 54.58 52.27 1bxt n ASN 79 Cb 0.34 -0.63 -0.07 0.00 -1.54 0.00 0.00 39.78 37.88 1bxt n ASN 79 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1bxt s LYS 80 N -3.24 2.47 -0.14 3.52 1.02 -1.09 -5.05 119.74 117.23 1bxt s LYS 80 Ca 0.44 -1.14 -0.27 0.00 0.02 0.00 0.00 55.97 55.03 1bxt s LYS 80 Cb 0.40 -2.37 -0.02 0.00 -0.52 0.00 0.00 37.83 35.33 1bxt s LYS 80 CO -0.01 0.44 0.88 -0.51 -0.92 0.00 0.00 175.35 175.23 1bxt s ASP 81 N -3.17 7.06 0.27 2.83 1.01 -1.26 -4.56 116.67 118.85 1bxt s ASP 81 Ca 0.29 1.30 0.02 0.00 0.71 0.00 0.00 52.55 54.87 1bxt s ASP 81 Cb -0.09 -2.49 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 1bxt s ASP 81 CO 0.20 -0.39 0.08 0.68 0.21 0.00 0.00 175.17 175.95 1bxt s VAL 82 N 1.95 0.74 0.06 -1.27 -7.23 -0.19 -1.60 120.40 112.86 1bxt s VAL 82 Ca 0.42 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.65 1bxt s VAL 82 Cb -0.17 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.08 1bxt s VAL 82 CO 0.15 -0.03 -0.11 -1.81 -0.31 0.00 0.00 175.10 172.99 1bxt s ASP 83 N -3.35 4.33 -0.02 4.85 1.01 0.47 -0.99 116.67 122.97 1bxt s ASP 83 Ca 0.37 -0.32 0.03 0.00 0.71 0.00 0.00 52.55 53.34 1bxt s ASP 83 Cb 0.08 -0.86 -0.00 0.00 1.01 0.00 0.00 42.92 43.15 1bxt s ASP 83 CO 0.14 0.23 -0.12 -0.63 0.21 0.00 0.00 175.17 175.00 1bxt s ILE 84 N -1.08 0.96 -0.19 0.77 1.01 -0.43 -1.86 121.20 120.37 1bxt s ILE 84 Ca 0.19 -0.48 -0.09 0.00 0.00 0.00 0.00 60.65 60.27 1bxt s ILE 84 Cb -0.11 -0.83 0.08 0.00 0.01 0.00 0.00 42.46 41.61 1bxt s ILE 84 CO 0.10 0.28 0.44 0.12 0.00 0.00 0.00 174.94 175.88 1bxt s PHE 85 N 0.00 -0.75 -0.29 3.97 2.19 -0.43 -1.51 117.98 121.16 1bxt s PHE 85 Ca -0.01 1.49 0.00 0.00 0.33 0.00 0.00 56.93 58.74 1bxt s PHE 85 Cb -0.08 0.33 0.00 0.00 -1.31 0.00 0.00 43.02 41.96 1bxt s PHE 85 CO 0.00 -0.43 0.00 0.41 1.83 0.00 0.00 175.22 177.03 1bxt n GLY 86 N 4.82 -1.19 3.63 13.12 0.00 -0.99 -4.40 105.19 120.19 1bxt n GLY 86 Ca -0.16 -1.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.46 1bxt n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bxt s SER 87 N -0.23 6.21 0.32 1.61 0.15 -1.26 -1.57 113.70 118.92 1bxt s SER 87 Ca 0.00 0.23 0.07 0.00 0.70 0.00 0.00 55.95 56.95 1bxt s SER 87 Cb 0.00 -2.17 -0.02 0.00 -1.71 0.00 0.00 66.02 62.12 1bxt s SER 87 CO 0.00 -0.07 0.32 0.54 1.20 0.00 0.00 173.24 175.24 1bxt s ASN 88 N 1.38 5.53 0.06 5.45 4.22 -1.26 -4.64 114.94 125.68 1bxt s ASN 88 Ca 0.12 -0.36 -0.03 0.00 -2.14 0.00 0.00 52.86 50.46 1bxt s ASN 88 Cb -0.15 -1.15 -0.03 0.00 1.28 0.00 0.00 41.25 41.20 1bxt s ASN 88 CO 0.08 -0.31 0.02 -0.72 -2.04 0.00 0.00 177.10 174.14 1bxt s TYR 89 N -2.23 0.43 0.00 1.54 -0.85 -0.42 -4.95 117.35 110.87 1bxt s TYR 89 Ca 0.40 -0.94 0.00 0.00 -0.52 0.00 0.00 57.07 56.01 1bxt s TYR 89 Cb -0.07 -0.31 0.00 0.00 0.38 0.00 0.00 41.96 41.96 1bxt s TYR 89 CO 0.27 -0.41 0.98 0.66 -1.52 0.00 0.00 175.55 175.53 1bxt n TYR 90 N 0.11 0.00 -3.63 -3.49 4.02 -1.26 -1.80 117.16 111.11 1bxt n TYR 90 Ca -0.14 -0.48 -0.39 0.00 -0.01 0.00 0.00 57.90 56.88 1bxt n TYR 90 Cb 0.61 -0.05 -0.08 0.00 -0.02 0.00 0.00 39.34 39.80 1bxt n TYR 90 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1bxt s TYR 91 N -0.96 3.49 0.00 -0.72 1.51 -1.26 -4.44 117.35 114.98 1bxt s TYR 91 Ca 0.00 -2.49 0.00 0.00 -1.01 0.00 0.00 57.07 53.57 1bxt s TYR 91 Cb 0.00 -3.35 0.00 0.00 -0.11 0.00 0.00 41.96 38.50 1bxt s TYR 91 CO 0.00 -0.89 0.00 0.09 -1.11 0.00 0.00 175.55 173.64 1bxt n ASN 92 N 3.74 -0.12 -3.86 2.29 4.13 -1.26 -4.61 115.26 115.57 1bxt n ASN 92 Ca 0.07 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 56.03 1bxt n ASN 92 Cb 0.40 -0.03 -0.15 0.00 -1.54 0.00 0.00 39.78 38.46 1bxt n ASN 92 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bxt s TYR 94 N 1.08 1.91 0.10 0.00 6.14 -1.26 -4.82 117.35 120.49 1bxt s TYR 94 Ca 0.12 -0.64 0.00 0.00 0.64 0.00 0.00 57.07 57.19 1bxt s TYR 94 Cb -0.19 -1.30 0.00 0.00 0.42 0.00 0.00 41.96 40.89 1bxt s TYR 94 CO -0.14 -0.24 0.00 2.48 0.64 0.00 0.00 175.55 178.29 1bxt n TYR 95 N 3.33 -2.90 0.00 4.97 0.18 -1.26 -5.05 117.16 116.43 1bxt n TYR 95 Ca -0.19 0.34 0.00 0.00 1.88 0.00 0.00 57.90 59.92 1bxt n TYR 95 Cb 0.53 1.22 0.00 0.00 -0.38 0.00 0.00 39.34 40.71 1bxt n TYR 95 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1bxt n LYS 106 N -3.07 0.00 -3.62 -3.48 5.02 -1.26 -5.08 118.16 106.67 1bxt n LYS 106 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 1bxt n LYS 106 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 1bxt n LYS 106 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1bxt s THR 107 N -2.00 0.00 0.37 -0.18 -1.32 -1.24 -4.78 115.64 106.49 1bxt s THR 107 Ca 0.00 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.56 1bxt s THR 107 Cb 0.00 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.92 1bxt s THR 107 CO 0.00 0.00 -0.02 0.00 -2.21 0.00 0.00 174.62 172.39 1bxt s MET 109 N -3.69 1.38 -0.03 0.00 0.23 0.67 -1.30 119.30 116.56 1bxt s MET 109 Ca 0.34 -0.85 0.05 0.00 -1.03 0.00 0.00 55.69 54.21 1bxt s MET 109 Cb 0.05 0.41 -0.01 0.00 -1.53 0.00 0.00 34.83 33.75 1bxt s MET 109 CO 0.18 -0.64 -0.19 0.71 -2.03 0.00 0.00 175.02 173.05 1bxt s TYR 110 N -2.62 1.78 0.00 3.16 2.02 -1.26 0.49 117.35 120.92 1bxt s TYR 110 Ca 0.17 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.45 1bxt s TYR 110 Cb -0.02 -1.17 0.00 0.00 -0.40 0.00 0.00 41.96 40.37 1bxt s TYR 110 CO 0.05 -0.10 0.00 0.41 -1.57 0.00 0.00 175.55 174.34 1bxt n GLY 111 N 2.84 2.81 2.26 0.71 0.00 -0.37 -4.60 105.19 108.83 1bxt n GLY 111 Ca -0.16 -0.14 -0.03 0.00 0.00 0.00 0.00 46.02 45.69 1bxt n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bxt n GLY 112 N 0.00 0.56 3.54 -0.02 0.00 -1.26 -4.83 105.19 103.18 1bxt n GLY 112 Ca 0.00 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 1bxt n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bxt s VAL 113 N -1.91 3.99 0.02 1.61 1.01 -1.26 -1.32 120.40 122.53 1bxt s VAL 113 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1bxt s VAL 113 Cb 0.00 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1bxt s VAL 113 CO 0.00 0.52 -0.05 0.42 0.00 0.00 0.00 175.10 175.99 1bxt s THR 114 N 0.07 0.34 0.34 3.92 -4.23 -0.78 -4.95 115.64 110.35 1bxt s THR 114 Ca 0.00 -0.75 -0.29 0.00 -1.18 0.00 0.00 61.69 59.47 1bxt s THR 114 Cb -0.13 -0.40 -0.11 0.00 1.34 0.00 0.00 72.50 73.20 1bxt s THR 114 CO 0.03 -0.28 1.43 -1.61 -0.54 0.00 0.00 174.62 173.64 1bxt s GLU 115 N -1.10 4.21 -0.10 3.99 2.02 -1.26 -0.39 118.70 126.06 1bxt s GLU 115 Ca -0.08 2.42 -0.27 0.00 0.02 0.00 0.00 54.97 57.05 1bxt s GLU 115 Cb -0.07 -3.02 -0.24 0.00 0.10 0.00 0.00 34.13 30.90 1bxt s GLU 115 CO -0.00 -0.41 0.91 1.25 0.02 0.00 0.00 175.26 177.03 1bxt h HIS 116 N 3.45 -0.01 -3.36 1.61 -0.00 -1.57 -3.42 115.15 111.86 1bxt h HIS 116 Ca -0.49 -0.00 -0.53 0.00 -0.00 0.00 0.00 60.37 59.35 1bxt h HIS 116 Cb 1.23 0.00 0.06 0.00 -0.00 0.00 0.00 27.41 28.70 1bxt h HIS 116 CO 0.55 0.81 0.76 -1.01 -0.00 0.00 0.00 177.93 179.04 1bxt s HIS 117 N -2.86 3.03 0.00 5.26 3.76 -1.26 -2.85 115.29 120.36 1bxt s HIS 117 Ca -0.18 1.02 0.00 0.00 -0.15 0.00 0.00 55.06 55.75 1bxt s HIS 117 Cb -0.01 -3.82 0.00 0.00 1.11 0.00 0.00 32.58 29.86 1bxt s HIS 117 CO 0.67 -2.67 0.00 0.54 -0.85 0.00 0.00 174.74 172.43 1bxt n ARG 118 N 2.42 0.00 0.00 1.40 1.74 -1.26 -4.81 116.66 116.15 1bxt n ARG 118 Ca 0.07 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.22 1bxt n ARG 118 Cb 0.40 -2.91 -0.01 0.00 -1.02 0.00 0.00 32.46 28.93 1bxt n ARG 118 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1bxt n ASN 119 N 0.00 1.45 -4.71 0.55 5.15 -1.13 -4.94 115.26 111.64 1bxt n ASN 119 Ca 0.00 -1.23 -0.42 0.00 -0.60 0.00 0.00 54.58 52.33 1bxt n ASN 119 Cb 0.00 0.50 -0.03 0.00 -0.53 0.00 0.00 39.78 39.72 1bxt n ASN 119 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1bxt s GLN 120 N -1.78 4.51 0.02 1.20 -1.52 -1.25 -1.42 119.66 119.41 1bxt s GLN 120 Ca 0.11 1.49 -0.26 0.00 -1.95 0.00 0.00 55.36 54.75 1bxt s GLN 120 Cb 0.11 -3.46 -0.05 0.00 -0.22 0.00 0.00 33.01 29.40 1bxt s GLN 120 CO 0.37 -0.14 0.82 0.42 -0.25 0.00 0.00 175.29 176.51 1bxt s ILE 121 N 1.22 4.81 -0.11 1.08 1.01 -0.37 -4.88 121.20 123.96 1bxt s ILE 121 Ca 0.53 1.73 -0.02 0.00 0.00 0.00 0.00 60.65 62.88 1bxt s ILE 121 Cb -0.22 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.05 1bxt s ILE 121 CO 0.26 0.29 -0.04 -1.61 0.00 0.00 0.00 174.94 173.85 1bxt s GLU 122 N 0.37 3.25 1.91 2.79 2.02 -1.26 -4.98 118.70 122.79 1bxt s GLU 122 Ca 0.42 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.91 1bxt s GLU 122 Cb -0.20 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.23 1bxt s GLU 122 CO 0.24 0.47 0.00 0.41 0.02 0.00 0.00 175.26 176.40 1bxt n GLY 123 N 2.83 -0.11 3.71 -1.39 0.00 -1.26 -4.90 105.19 104.08 1bxt n GLY 123 Ca -0.18 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 1bxt n GLY 123 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bxt s LYS 124 N 0.00 4.21 0.45 1.61 2.20 -1.26 -4.99 119.74 121.96 1bxt s LYS 124 Ca 0.00 2.35 -0.21 0.00 -0.36 0.00 0.00 55.97 57.74 1bxt s LYS 124 Cb 0.00 -3.27 -0.09 0.00 -1.51 0.00 0.00 37.83 32.96 1bxt s LYS 124 CO 0.00 -0.63 1.01 -0.06 -0.36 0.00 0.00 175.35 175.31 1bxt s PHE 125 N 1.51 3.16 0.48 4.03 0.08 -1.26 -5.00 117.98 120.98 1bxt s PHE 125 Ca 0.71 1.61 -0.22 0.00 0.12 0.00 0.00 56.93 59.14 1bxt s PHE 125 Cb -0.43 -3.02 -0.07 0.00 -0.57 0.00 0.00 43.02 38.94 1bxt s PHE 125 CO 0.31 -0.56 1.21 -1.25 -0.10 0.00 0.00 175.22 174.84 1bxt s PRO 126 N -3.03 3.59 -0.37 0.24 0.04 -1.26 -4.97 135.00 129.23 1bxt s PRO 126 Ca 0.63 1.89 -0.13 0.00 0.04 0.00 0.00 61.00 63.43 1bxt s PRO 126 Cb -0.16 -2.36 0.01 0.00 0.04 0.00 0.00 34.50 32.03 1bxt s PRO 126 CO 0.20 -0.73 0.26 -0.80 0.04 0.00 0.00 177.00 175.97 1bxt s ASN 127 N -1.27 6.02 -0.32 6.66 0.02 -1.26 -4.25 114.94 120.55 1bxt s ASN 127 Ca 0.66 -0.71 -0.12 0.00 -1.02 0.00 0.00 52.86 51.67 1bxt s ASN 127 Cb -0.32 -2.13 -0.02 0.00 0.02 0.00 0.00 41.25 38.80 1bxt s ASN 127 CO 0.38 -0.35 0.21 -0.63 0.02 0.00 0.00 177.10 176.73 1bxt s ILE 128 N 1.68 5.18 0.01 0.60 1.01 -0.23 -4.94 121.20 124.51 1bxt s ILE 128 Ca 0.05 -0.15 -0.25 0.00 0.00 0.00 0.00 60.65 60.30 1bxt s ILE 128 Cb -0.18 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 1bxt s ILE 128 CO 0.10 0.07 0.77 -0.89 0.00 0.00 0.00 174.94 174.98 1bxt s THR 129 N 1.72 4.82 -0.23 2.92 2.01 -1.26 -0.90 115.64 124.71 1bxt s THR 129 Ca 0.06 1.62 -0.03 0.00 0.31 0.00 0.00 61.69 63.65 1bxt s THR 129 Cb -0.17 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.23 1bxt s THR 129 CO 0.10 0.32 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.61 1bxt s VAL 130 N 0.24 3.16 -0.24 3.82 1.01 0.12 -2.68 120.40 125.82 1bxt s VAL 130 Ca 0.39 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.56 1bxt s VAL 130 Cb -0.20 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 1bxt s VAL 130 CO 0.22 0.35 0.23 -0.54 0.00 0.00 0.00 175.10 175.36 1bxt s LYS 131 N 1.42 4.06 -0.20 2.72 1.02 -0.53 -1.59 119.74 126.65 1bxt s LYS 131 Ca 0.04 -0.16 -0.07 0.00 0.02 0.00 0.00 55.97 55.80 1bxt s LYS 131 Cb -0.15 -3.57 -0.04 0.00 -0.52 0.00 0.00 37.83 33.55 1bxt s LYS 131 CO -0.04 -0.04 0.07 0.08 -0.92 0.00 0.00 175.35 174.49 1bxt s VAL 132 N 1.35 4.70 -0.06 3.17 1.01 0.16 -0.41 120.40 130.32 1bxt s VAL 132 Ca 0.10 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.06 1bxt s VAL 132 Cb -0.14 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 1bxt s VAL 132 CO 0.07 0.43 -0.16 -0.31 0.00 0.00 0.00 175.10 175.13 1bxt s TYR 133 N 0.62 2.66 -0.21 5.22 1.51 0.21 -2.24 117.35 125.12 1bxt s TYR 133 Ca 0.03 -0.32 0.01 0.00 -1.01 0.00 0.00 57.07 55.78 1bxt s TYR 133 Cb -0.13 -1.65 0.05 0.00 -0.11 0.00 0.00 41.96 40.12 1bxt s TYR 133 CO 0.01 0.06 -0.09 -1.21 -1.11 0.00 0.00 175.55 173.22 1bxt s GLU 134 N -0.49 1.91 -1.36 -0.62 2.02 -0.11 -1.04 118.70 119.02 1bxt s GLU 134 Ca 0.06 -0.93 -0.05 0.00 0.02 0.00 0.00 54.97 54.08 1bxt s GLU 134 Cb -0.12 -2.50 0.02 0.00 0.10 0.00 0.00 34.13 31.63 1bxt s GLU 134 CO 0.01 -0.49 0.89 -0.25 0.02 0.00 0.00 175.26 175.44 1bxt n ASP 135 N 4.66 -2.97 -0.84 -0.19 8.00 0.50 -1.83 116.55 123.87 1bxt n ASP 135 Ca -0.14 -0.74 -0.11 0.00 0.71 0.00 0.00 54.79 54.51 1bxt n ASP 135 Cb 0.45 -4.31 -0.05 0.00 -0.02 0.00 0.00 41.12 37.20 1bxt n ASP 135 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1bxt n ASN 136 N -3.00 -4.47 -4.16 -2.24 5.15 -1.26 -5.01 115.26 100.27 1bxt n ASN 136 Ca -0.17 0.27 -0.33 0.00 -0.60 0.00 0.00 54.58 53.75 1bxt n ASN 136 Cb 0.62 -2.94 -0.15 0.00 -0.53 0.00 0.00 39.78 36.77 1bxt n ASN 136 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1bxt s GLU 137 N -2.86 3.00 -0.77 1.20 0.41 -0.76 -5.05 118.70 113.87 1bxt s GLU 137 Ca 0.00 -0.84 -0.26 0.00 -0.41 0.00 0.00 54.97 53.46 1bxt s GLU 137 Cb 0.00 -2.71 -0.02 0.00 -1.78 0.00 0.00 34.13 29.62 1bxt s GLU 137 CO 0.00 -0.25 1.79 1.21 -0.49 0.00 0.00 175.26 177.52 1bxt s ASN 138 N 1.32 5.44 -0.00 -0.19 2.47 -1.26 -0.93 114.94 121.79 1bxt s ASN 138 Ca 0.04 -0.28 0.16 0.00 0.42 0.00 0.00 52.86 53.20 1bxt s ASN 138 Cb -0.14 -2.55 -0.18 0.00 -1.45 0.00 0.00 41.25 36.93 1bxt s ASN 138 CO -0.10 -2.36 0.67 2.30 -3.72 0.00 0.00 177.10 173.89 1bxt n ILE 139 N 7.32 0.00 -3.68 -5.21 -0.00 -0.95 -4.99 119.36 111.85 1bxt n ILE 139 Ca 0.27 -0.13 -0.15 0.00 -0.00 0.00 0.00 62.75 62.74 1bxt n ILE 139 Cb 0.50 0.97 -0.08 0.00 -0.00 0.00 0.00 39.64 41.02 1bxt n ILE 139 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.55 176.33 1bxt s LEU 140 N -2.81 0.23 -0.05 7.28 2.96 -1.21 -5.05 118.68 120.03 1bxt s LEU 140 Ca 0.06 0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 54.46 1bxt s LEU 140 Cb 0.12 1.73 0.02 0.00 0.50 0.00 0.00 46.19 48.55 1bxt s LEU 140 CO 0.66 -0.40 0.14 -0.44 -1.32 0.00 0.00 176.35 174.99 1bxt s SER 141 N -0.79 -0.14 0.10 3.68 0.01 -1.26 0.40 113.70 115.70 1bxt s SER 141 Ca -0.09 0.27 -0.15 0.00 1.31 0.00 0.00 55.95 57.30 1bxt s SER 141 Cb -0.03 0.27 0.03 0.00 0.21 0.00 0.00 66.02 66.49 1bxt s SER 141 CO 0.05 -0.06 0.36 0.72 0.41 0.00 0.00 173.24 174.72 1bxt s PHE 142 N 0.16 -0.14 0.07 2.43 -0.12 -0.62 -4.98 117.98 114.77 1bxt s PHE 142 Ca -0.01 -0.13 0.04 0.00 -0.05 0.00 0.00 56.93 56.78 1bxt s PHE 142 Cb -0.02 0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.51 1bxt s PHE 142 CO -0.00 -0.63 0.01 -0.51 -0.05 0.00 0.00 175.22 174.04 1bxt s ASP 143 N -2.60 5.12 0.31 1.98 1.01 -1.26 0.12 116.67 121.35 1bxt s ASP 143 Ca 0.01 -0.11 0.05 0.00 0.71 0.00 0.00 52.55 53.21 1bxt s ASP 143 Cb 0.02 -1.27 -0.06 0.00 1.01 0.00 0.00 42.92 42.61 1bxt s ASP 143 CO -0.09 0.20 0.00 0.27 0.21 0.00 0.00 175.17 175.76 1bxt s ILE 144 N -1.27 1.43 0.28 0.77 -4.36 -0.08 -4.93 121.20 113.03 1bxt s ILE 144 Ca 0.25 -2.05 -0.00 0.00 -0.26 0.00 0.00 60.65 58.59 1bxt s ILE 144 Cb -0.12 -2.64 -0.02 0.00 1.25 0.00 0.00 42.46 40.93 1bxt s ILE 144 CO 0.17 -0.15 0.29 0.42 0.24 0.00 0.00 174.94 175.91 1bxt s THR 145 N -3.14 0.00 0.18 8.37 -4.23 -1.26 -1.07 115.64 114.49 1bxt s THR 145 Ca 0.33 -1.85 -0.16 0.00 -1.18 0.00 0.00 61.69 58.84 1bxt s THR 145 Cb 0.07 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.43 1bxt s THR 145 CO 0.14 0.00 0.46 0.28 -0.54 0.00 0.00 174.62 174.96 1bxt s THR 146 N -3.69 0.04 -2.05 3.99 -1.32 -1.26 -5.03 115.64 106.31 1bxt s THR 146 Ca 0.36 -0.90 0.19 0.00 -1.21 0.00 0.00 61.69 60.13 1bxt s THR 146 Cb 0.03 -1.60 0.30 0.00 -1.51 0.00 0.00 72.50 69.72 1bxt s THR 146 CO 0.18 -0.17 1.23 -0.46 -2.21 0.00 0.00 174.62 173.19 1bxt n ASN 147 N -0.30 2.97 -4.65 8.08 6.94 -1.26 -4.30 115.26 122.73 1bxt n ASN 147 Ca -0.10 -1.87 -0.35 0.00 -0.02 0.00 0.00 54.58 52.24 1bxt n ASN 147 Cb 0.63 -0.16 -0.10 0.00 -2.36 0.00 0.00 39.78 37.79 1bxt n ASN 147 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1bxt s LYS 148 N -1.34 3.06 0.04 -3.83 1.02 -1.26 -1.24 119.74 116.19 1bxt s LYS 148 Ca 0.29 -0.43 -0.21 0.00 0.02 0.00 0.00 55.97 55.64 1bxt s LYS 148 Cb 0.18 -2.80 -0.14 0.00 -0.52 0.00 0.00 37.83 34.55 1bxt s LYS 148 CO 0.25 0.64 1.41 0.87 -0.92 0.00 0.00 175.35 177.59 1bxt h LYS 149 N 5.37 0.27 -4.85 1.68 1.57 -1.58 -3.39 116.57 115.65 1bxt h LYS 149 Ca -0.48 -0.11 -0.68 0.00 -1.87 0.00 0.00 60.65 57.51 1bxt h LYS 149 Cb 1.19 -0.01 -0.29 0.00 0.08 0.00 0.00 32.23 33.20 1bxt h LYS 149 CO 0.55 0.59 -0.69 -0.65 -0.57 0.00 0.00 179.45 178.69 1bxt s GLN 150 N -4.63 2.92 0.09 3.15 -1.52 -1.26 -1.01 119.66 117.40 1bxt s GLN 150 Ca -0.14 -0.95 0.10 0.00 -1.95 0.00 0.00 55.36 52.42 1bxt s GLN 150 Cb 0.05 -3.18 -0.04 0.00 -0.22 0.00 0.00 33.01 29.63 1bxt s GLN 150 CO 0.73 -0.44 -0.24 0.54 -0.25 0.00 0.00 175.29 175.63 1bxt s VAL 151 N 1.40 2.38 0.43 1.09 0.11 -0.17 -4.89 120.40 120.75 1bxt s VAL 151 Ca 0.01 -1.52 -0.24 0.00 -2.93 0.00 0.00 61.98 57.29 1bxt s VAL 151 Cb -0.17 -2.01 -0.08 0.00 -1.53 0.00 0.00 36.38 32.58 1bxt s VAL 151 CO -0.01 0.22 1.15 0.42 -3.33 0.00 0.00 175.10 173.54 1bxt s THR 152 N -0.97 3.23 -1.25 5.04 -4.23 -1.26 -0.66 115.64 115.53 1bxt s THR 152 Ca 0.14 0.97 0.19 0.00 -1.18 0.00 0.00 61.69 61.81 1bxt s THR 152 Cb -0.10 -3.51 0.26 0.00 1.34 0.00 0.00 72.50 70.49 1bxt s THR 152 CO 0.05 0.03 1.60 1.33 -0.54 0.00 0.00 174.62 177.09 1bxt n VAL 153 N -0.19 0.54 0.00 2.29 0.24 -0.38 -2.10 118.33 118.73 1bxt n VAL 153 Ca 0.06 0.13 -0.18 0.00 -2.04 0.00 0.00 64.34 62.31 1bxt n VAL 153 Cb 0.48 -0.81 -0.10 0.00 -1.47 0.00 0.00 33.84 31.93 1bxt n VAL 153 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1bxt h GLN 154 N 0.00 0.58 -0.90 7.34 4.15 -1.90 -2.18 115.11 122.19 1bxt h GLN 154 Ca 0.00 -0.56 -0.02 0.00 0.77 0.00 0.00 58.65 58.84 1bxt h GLN 154 Cb 0.24 0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.03 1bxt h GLN 154 CO 0.00 1.18 0.50 1.49 -1.93 0.00 0.00 178.83 180.08 1bxt h GLU 155 N 0.19 1.26 -0.38 1.69 4.81 -1.65 0.14 114.58 120.63 1bxt h GLU 155 Ca -0.08 -0.14 -0.15 0.00 -0.13 0.00 0.00 59.36 58.85 1bxt h GLU 155 Cb 1.41 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1bxt h GLU 155 CO 0.15 0.91 -0.35 -0.07 -0.73 0.00 0.00 179.01 178.92 1bxt h LEU 156 N 1.26 0.97 0.17 1.64 3.38 -1.58 -2.21 115.31 118.94 1bxt h LEU 156 Ca 0.32 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1bxt h LEU 156 Cb 0.02 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1bxt h LEU 156 CO -0.05 1.23 -0.08 -0.78 0.09 0.00 0.00 178.44 178.85 1bxt h ASP 157 N 0.73 -0.19 -0.32 -0.43 3.58 -0.96 -1.56 116.42 117.26 1bxt h ASP 157 Ca 0.06 -0.10 0.07 0.00 0.42 0.00 0.00 57.03 57.48 1bxt h ASP 157 Cb 0.95 0.05 -0.07 0.00 1.72 0.00 0.00 39.33 41.98 1bxt h ASP 157 CO 0.09 -0.02 -0.12 0.00 -2.88 0.00 0.00 179.24 176.31 1bxt h LYS 159 N -0.06 0.47 -0.11 0.00 1.57 -1.33 -1.69 116.57 115.42 1bxt h LYS 159 Ca 0.16 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1bxt h LYS 159 Cb 0.31 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1bxt h LYS 159 CO -0.37 0.51 -0.20 1.15 -0.57 0.00 0.00 179.45 179.97 1bxt h THR 160 N 0.45 1.39 -0.33 -0.16 2.02 -0.39 -3.08 112.91 112.81 1bxt h THR 160 Ca 0.10 -1.48 -0.06 0.00 0.77 0.00 0.00 66.41 65.74 1bxt h THR 160 Cb 0.32 2.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.80 1bxt h THR 160 CO 0.01 0.43 -0.07 0.03 0.37 0.00 0.00 175.52 176.29 1bxt h ARG 161 N -0.11 0.54 -0.57 6.66 3.08 -0.89 -1.40 114.38 121.69 1bxt h ARG 161 Ca 0.00 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 59.92 1bxt h ARG 161 Cb 0.79 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.74 1bxt h ARG 161 CO 0.05 0.62 0.37 -0.22 -1.07 0.00 0.00 179.97 179.71 1bxt h LYS 162 N 0.50 0.74 -0.37 0.04 3.64 -1.30 0.26 116.57 120.08 1bxt h LYS 162 Ca 0.10 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 1bxt h LYS 162 Cb 0.44 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1bxt h LYS 162 CO 0.02 0.49 -0.27 0.82 -2.27 0.00 0.00 179.45 178.24 1bxt h ILE 163 N 0.76 1.27 -0.07 2.00 1.08 -1.38 -1.83 117.51 119.34 1bxt h ILE 163 Ca 0.21 -1.40 -0.06 0.00 -0.39 0.00 0.00 64.86 63.22 1bxt h ILE 163 Cb -0.07 1.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.94 1bxt h ILE 163 CO -0.05 0.46 -0.24 -0.07 -0.69 0.00 0.00 178.15 177.56 1bxt h LEU 164 N 0.67 0.12 -0.01 1.44 3.38 -0.61 0.28 115.31 120.58 1bxt h LEU 164 Ca 0.08 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1bxt h LEU 164 Cb 0.79 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.51 1bxt h LEU 164 CO 0.07 0.37 -0.34 0.58 0.09 0.00 0.00 178.44 179.20 1bxt h VAL 165 N 0.12 1.51 -0.15 1.22 2.07 -0.77 0.43 116.25 120.68 1bxt h VAL 165 Ca 0.02 -1.96 -0.09 0.00 0.82 0.00 0.00 66.70 65.49 1bxt h VAL 165 Cb 0.49 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 1bxt h VAL 165 CO 0.03 0.55 -0.31 0.28 0.02 0.00 0.00 177.57 178.14 1bxt h SER 166 N -0.37 0.29 0.00 0.57 0.02 -1.10 -2.68 113.55 110.29 1bxt h SER 166 Ca -0.04 -0.10 -0.28 0.00 -0.84 0.00 0.00 61.79 60.53 1bxt h SER 166 Cb 1.08 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.49 1bxt h SER 166 CO 0.07 0.60 -2.04 0.54 -1.14 0.00 0.00 176.83 174.86 1bxt n ARG 167 N -4.10 1.24 -0.03 3.45 1.74 0.96 -4.73 116.66 115.19 1bxt n ARG 167 Ca -0.01 0.03 0.04 0.00 -0.77 0.00 0.00 57.85 57.14 1bxt n ARG 167 Cb 0.42 -1.38 0.06 0.00 -1.02 0.00 0.00 32.46 30.53 1bxt n ARG 167 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1bxt n LYS 168 N -2.70 2.38 -3.46 5.56 4.76 0.07 -4.99 118.16 119.77 1bxt n LYS 168 Ca -0.27 -1.91 -0.25 0.00 -2.87 0.00 0.00 58.31 53.01 1bxt n LYS 168 Cb 0.95 -1.19 -0.00 0.00 -1.84 0.00 0.00 35.03 32.94 1bxt n LYS 168 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1bxt n ASN 169 N -0.82 -3.89 -0.29 4.39 4.13 -0.89 -4.80 115.26 113.08 1bxt n ASN 169 Ca 0.06 -0.47 0.06 0.00 1.68 0.00 0.00 54.58 55.92 1bxt n ASN 169 Cb 0.40 -3.20 0.17 0.00 -1.54 0.00 0.00 39.78 35.61 1bxt n ASN 169 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1bxt h LEU 170 N -1.12 -0.53 -8.27 3.41 5.85 -1.52 -3.38 115.31 109.75 1bxt h LEU 170 Ca -0.46 0.23 -0.61 0.00 0.84 0.00 0.00 57.88 57.88 1bxt h LEU 170 Cb 1.31 0.44 -0.32 0.00 0.37 0.00 0.00 40.66 42.45 1bxt h LEU 170 CO 0.57 -0.25 -0.85 -0.31 -0.34 0.00 0.00 178.44 177.25 1bxt s TYR 171 N -6.14 2.03 0.50 1.25 2.02 -1.26 -4.45 117.35 111.30 1bxt s TYR 171 Ca -0.14 -0.68 0.04 0.00 -0.37 0.00 0.00 57.07 55.93 1bxt s TYR 171 Cb 0.24 -1.37 -0.00 0.00 -0.40 0.00 0.00 41.96 40.43 1bxt s TYR 171 CO 0.76 -0.25 0.22 -1.21 -1.57 0.00 0.00 175.55 173.50 1bxt s GLU 172 N 0.16 2.23 0.20 -0.62 2.02 -0.27 -4.95 118.70 117.47 1bxt s GLU 172 Ca -0.09 -2.10 -0.09 0.00 0.02 0.00 0.00 54.97 52.71 1bxt s GLU 172 Cb -0.14 -1.88 0.14 0.00 0.10 0.00 0.00 34.13 32.34 1bxt s GLU 172 CO 0.04 -0.41 1.76 0.35 0.02 0.00 0.00 175.26 177.02 1bxt h PHE 173 N 1.11 1.16 0.00 1.61 3.57 -1.95 -3.15 116.94 119.29 1bxt h PHE 173 Ca -0.41 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.00 1bxt h PHE 173 Cb 1.29 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1bxt h PHE 173 CO 1.07 0.90 0.00 0.09 -2.23 0.00 0.00 178.31 178.14 1bxt n ASN 174 N -4.30 0.00 0.00 0.41 3.02 -1.26 -0.90 115.26 112.23 1bxt n ASN 174 Ca 0.06 0.41 0.00 0.00 -0.03 0.00 0.00 54.58 55.02 1bxt n ASN 174 Cb 0.20 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 1bxt n ASN 174 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1bxt n ASN 175 N -2.03 0.00 -3.84 6.41 2.85 -1.26 -0.59 115.26 116.80 1bxt n ASN 175 Ca 0.00 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.35 1bxt n ASN 175 Cb 0.00 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 40.90 1bxt n ASN 175 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1bxt s SER 176 N 1.00 -0.09 0.45 1.20 0.15 -1.26 -1.11 113.70 114.03 1bxt s SER 176 Ca 0.00 0.14 0.30 0.00 0.70 0.00 0.00 55.95 57.09 1bxt s SER 176 Cb 0.00 0.26 1.63 0.00 -1.71 0.00 0.00 66.02 66.20 1bxt s SER 176 CO 0.00 -0.13 1.92 -0.65 1.20 0.00 0.00 173.24 175.58 1bxt h PRO 177 N 5.50 0.00 -5.91 5.44 0.11 -1.78 -3.42 132.00 131.93 1bxt h PRO 177 Ca -0.27 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.17 1bxt h PRO 177 Cb 1.20 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.13 1bxt h PRO 177 CO 0.42 0.00 -0.66 0.71 -0.21 0.00 0.00 178.00 178.26 1bxt s TYR 178 N -3.77 3.05 -0.08 0.65 2.02 -1.26 -2.30 117.35 115.66 1bxt s TYR 178 Ca -0.03 0.04 -0.25 0.00 -0.37 0.00 0.00 57.07 56.46 1bxt s TYR 178 Cb 0.09 -1.79 -0.21 0.00 -0.40 0.00 0.00 41.96 39.65 1bxt s TYR 178 CO 0.27 0.32 0.92 1.49 -1.57 0.00 0.00 175.55 176.98 1bxt h GLU 179 N 5.48 -0.04 -5.57 -0.62 4.57 -1.01 -3.41 114.58 113.97 1bxt h GLU 179 Ca -0.46 0.00 -0.46 0.00 -1.18 0.00 0.00 59.36 57.25 1bxt h GLU 179 Cb 1.18 0.01 -0.14 0.00 -0.16 0.00 0.00 28.75 29.64 1bxt h GLU 179 CO 0.55 0.63 -0.72 0.95 -1.18 0.00 0.00 179.01 179.24 1bxt s THR 180 N -3.09 1.73 -0.29 0.32 -4.23 -1.25 -0.70 115.64 108.14 1bxt s THR 180 Ca -0.16 -2.20 -0.17 0.00 -1.18 0.00 0.00 61.69 57.98 1bxt s THR 180 Cb -0.01 -2.15 0.15 0.00 1.34 0.00 0.00 72.50 71.83 1bxt s THR 180 CO 0.61 -0.51 1.03 -0.83 -0.54 0.00 0.00 174.62 174.37 1bxt s GLY 181 N -3.35 0.06 0.03 3.99 0.00 -1.26 -1.88 107.32 104.91 1bxt s GLY 181 Ca 0.25 3.17 -0.01 0.00 0.00 0.00 0.00 44.72 48.13 1bxt s GLY 181 CO 0.08 2.51 -0.01 -2.52 0.00 0.00 0.00 173.10 173.16 1bxt s TYR 182 N 1.15 0.29 -0.16 1.90 1.13 -0.06 -0.32 117.35 121.28 1bxt s TYR 182 Ca -0.07 -0.61 -0.01 0.00 -1.41 0.00 0.00 57.07 54.96 1bxt s TYR 182 Cb -0.04 -0.22 -0.01 0.00 -1.10 0.00 0.00 41.96 40.59 1bxt s TYR 182 CO -0.13 -0.25 -0.11 -1.50 -2.51 0.00 0.00 175.55 171.05 1bxt s ILE 183 N -2.05 3.09 -0.10 -3.49 2.07 -0.80 -1.15 121.20 118.77 1bxt s ILE 183 Ca -0.10 -0.63 0.01 0.00 -1.41 0.00 0.00 60.65 58.52 1bxt s ILE 183 Cb -0.05 -2.33 -0.02 0.00 0.13 0.00 0.00 42.46 40.18 1bxt s ILE 183 CO -0.03 0.50 -0.11 -0.75 -1.91 0.00 0.00 174.94 172.64 1bxt s LYS 184 N 0.71 3.05 -0.10 3.50 2.20 0.15 -1.30 119.74 127.94 1bxt s LYS 184 Ca -0.05 -0.63 0.01 0.00 -0.36 0.00 0.00 55.97 54.93 1bxt s LYS 184 Cb -0.15 -2.59 -0.02 0.00 -1.51 0.00 0.00 37.83 33.55 1bxt s LYS 184 CO 0.02 0.43 -0.13 -0.06 -0.36 0.00 0.00 175.35 175.25 1bxt s PHE 185 N -0.19 2.79 -0.11 4.03 0.40 -0.05 -0.95 117.98 123.90 1bxt s PHE 185 Ca 0.01 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 55.93 1bxt s PHE 185 Cb -0.13 -1.77 0.02 0.00 0.51 0.00 0.00 43.02 41.65 1bxt s PHE 185 CO 0.03 -0.04 -0.13 0.42 0.70 0.00 0.00 175.22 176.20 1bxt s ILE 186 N -0.09 1.37 0.53 0.64 1.09 -0.48 -2.02 121.20 122.24 1bxt s ILE 186 Ca -0.02 -0.55 -0.02 0.00 -1.10 0.00 0.00 60.65 58.96 1bxt s ILE 186 Cb -0.14 -1.28 0.01 0.00 -1.06 0.00 0.00 42.46 39.99 1bxt s ILE 186 CO 0.04 0.42 0.79 -1.61 -0.10 0.00 0.00 174.94 174.48 1bxt s GLU 187 N 1.16 2.88 0.46 2.79 2.02 0.08 -1.37 118.70 126.72 1bxt s GLU 187 Ca -0.04 -0.34 0.26 0.00 0.02 0.00 0.00 54.97 54.87 1bxt s GLU 187 Cb -0.14 -2.42 1.29 0.00 0.10 0.00 0.00 34.13 32.96 1bxt s GLU 187 CO -0.04 -0.55 1.79 0.66 0.02 0.00 0.00 175.26 177.14 1bxt h SER 188 N 0.08 0.26 0.63 -0.19 4.64 -1.86 0.34 113.55 117.44 1bxt h SER 188 Ca -0.45 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1bxt h SER 188 Cb 1.26 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1bxt h SER 188 CO 0.58 0.05 0.00 -1.54 -0.87 0.00 0.00 176.83 175.05 1bxt n SER 189 N -4.45 0.00 0.00 4.97 3.41 -1.26 -4.85 113.62 111.44 1bxt n SER 189 Ca 0.25 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.34 1bxt n SER 189 Cb 1.01 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1bxt n SER 189 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bxt n GLY 190 N 0.42 1.93 3.75 5.00 0.00 0.12 -5.04 105.19 111.37 1bxt n GLY 190 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1bxt n GLY 190 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bxt s ASP 191 N -1.50 6.43 0.15 1.61 1.01 -1.25 -4.69 116.67 118.42 1bxt s ASP 191 Ca 0.00 2.90 -0.01 0.00 0.71 0.00 0.00 52.55 56.16 1bxt s ASP 191 Cb 0.00 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1bxt s ASP 191 CO 0.00 -0.86 0.06 -0.94 0.21 0.00 0.00 175.17 173.64 1bxt s SER 192 N 0.38 0.44 0.16 0.27 1.04 -1.26 -0.74 113.70 114.00 1bxt s SER 192 Ca 0.61 -1.23 -0.19 0.00 0.48 0.00 0.00 55.95 55.62 1bxt s SER 192 Cb -0.46 0.28 0.05 0.00 0.10 0.00 0.00 66.02 65.98 1bxt s SER 192 CO 0.49 -0.72 0.52 0.72 0.98 0.00 0.00 173.24 175.23 1bxt s PHE 193 N -4.00 -0.30 0.07 5.02 -0.71 -0.86 -0.32 117.98 116.89 1bxt s PHE 193 Ca 0.26 0.01 -0.05 0.00 -1.04 0.00 0.00 56.93 56.12 1bxt s PHE 193 Cb 0.07 0.43 -0.02 0.00 -1.21 0.00 0.00 43.02 42.29 1bxt s PHE 193 CO 0.04 -0.84 0.08 1.67 -1.34 0.00 0.00 175.22 174.83 1bxt s TRP 194 N -3.81 0.37 -0.01 3.49 1.48 -1.26 -0.87 118.94 118.33 1bxt s TRP 194 Ca 0.04 -0.86 0.07 0.00 -1.06 0.00 0.00 56.10 54.30 1bxt s TRP 194 Cb -0.00 -0.24 -0.02 0.00 -1.16 0.00 0.00 33.47 32.05 1bxt s TRP 194 CO -0.09 -0.47 -0.23 0.71 -4.06 0.00 0.00 176.95 172.82 1bxt s TYR 195 N -3.90 2.01 -0.14 1.66 2.02 -0.42 -4.96 117.35 113.63 1bxt s TYR 195 Ca 0.07 -0.38 -0.29 0.00 -0.37 0.00 0.00 57.07 56.10 1bxt s TYR 195 Cb 0.06 -1.29 -0.01 0.00 -0.40 0.00 0.00 41.96 40.33 1bxt s TYR 195 CO -0.10 -0.02 1.06 0.34 -1.57 0.00 0.00 175.55 175.26 1bxt s ASP 196 N -0.59 7.16 0.00 2.29 -1.08 -1.26 -1.91 116.67 121.28 1bxt s ASP 196 Ca 0.09 1.53 0.26 0.00 -0.52 0.00 0.00 52.55 53.91 1bxt s ASP 196 Cb -0.09 -2.55 0.78 0.00 -1.46 0.00 0.00 42.92 39.60 1bxt s ASP 196 CO -0.01 -0.55 1.59 0.23 0.52 0.00 0.00 175.17 176.95 1bxt n MET 197 N 5.51 0.47 -3.85 4.34 2.81 0.56 -4.89 117.12 122.06 1bxt n MET 197 Ca 0.10 -0.25 -0.32 0.00 -1.81 0.00 0.00 57.70 55.43 1bxt n MET 197 Cb 0.47 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.44 1bxt n MET 197 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1bxt s MET 198 N -2.70 3.49 0.65 0.03 -1.94 -1.25 -4.98 119.30 112.59 1bxt s MET 198 Ca 0.20 -0.30 -0.14 0.00 -1.71 0.00 0.00 55.69 53.74 1bxt s MET 198 Cb 0.19 -3.02 -0.01 0.00 2.01 0.00 0.00 34.83 33.99 1bxt s MET 198 CO 0.58 0.60 1.06 -1.25 -0.01 0.00 0.00 175.02 176.01 1bxt s PRO 199 N -2.31 3.06 0.67 2.03 0.04 -1.26 -4.78 135.00 132.45 1bxt s PRO 199 Ca 0.33 1.13 -0.16 0.00 0.04 0.00 0.00 61.00 62.35 1bxt s PRO 199 Cb -0.13 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.42 1bxt s PRO 199 CO 0.24 -1.02 1.17 0.00 0.04 0.00 0.00 177.00 177.43 1bxt s ALA 200 N -2.68 2.34 0.81 8.56 0.00 -1.26 -4.61 121.76 124.91 1bxt s ALA 200 Ca 0.62 0.79 -0.12 0.00 0.00 0.00 0.00 51.96 53.24 1bxt s ALA 200 Cb -0.16 -3.41 0.09 0.00 0.00 0.00 0.00 23.12 19.64 1bxt s ALA 200 CO 0.45 -1.49 1.17 -1.25 0.00 0.00 0.00 175.76 174.64 1bxt s PRO 201 N -3.84 1.66 0.00 0.00 0.04 -1.26 -4.69 135.00 126.90 1bxt s PRO 201 Ca 0.72 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.39 1bxt s PRO 201 Cb -0.26 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1bxt s PRO 201 CO 0.41 -2.17 0.00 0.41 0.04 0.00 0.00 177.00 175.69 1bxt n GLY 202 N 0.19 0.12 0.54 0.56 0.00 -0.62 -4.81 105.19 101.17 1bxt n GLY 202 Ca 0.12 -2.29 0.11 0.00 0.00 0.00 0.00 46.02 43.96 1bxt n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxt n ALA 203 N -0.82 3.42 -2.80 4.61 0.00 -1.26 0.25 120.51 123.92 1bxt n ALA 203 Ca 0.00 -0.64 -0.33 0.00 0.00 0.00 0.00 53.44 52.47 1bxt n ALA 203 Cb 0.00 -0.78 -0.14 0.00 0.00 0.00 0.00 19.45 18.54 1bxt n ALA 203 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1bxt s ILE 204 N -2.39 3.03 -0.25 0.00 2.07 -1.26 -3.38 121.20 119.02 1bxt s ILE 204 Ca 0.19 -0.70 -0.01 0.00 -1.41 0.00 0.00 60.65 58.72 1bxt s ILE 204 Cb 0.18 -2.23 0.03 0.00 0.13 0.00 0.00 42.46 40.57 1bxt s ILE 204 CO 0.53 0.56 -0.06 0.12 -1.91 0.00 0.00 174.94 174.17 1bxt s PHE 205 N -0.16 3.09 -0.53 3.50 5.36 -1.26 -4.90 117.98 123.08 1bxt s PHE 205 Ca -0.01 -1.66 -0.19 0.00 -0.96 0.00 0.00 56.93 54.11 1bxt s PHE 205 Cb -0.13 -2.05 0.07 0.00 -0.34 0.00 0.00 43.02 40.56 1bxt s PHE 205 CO 0.03 -0.75 0.67 0.34 -1.46 0.00 0.00 175.22 174.05 1bxt s ASP 206 N 1.30 6.22 0.08 6.13 -1.08 -1.26 -4.94 116.67 123.11 1bxt s ASP 206 Ca -0.01 -0.99 -0.22 0.00 -0.52 0.00 0.00 52.55 50.81 1bxt s ASP 206 Cb -0.17 -2.30 -0.13 0.00 -1.46 0.00 0.00 42.92 38.85 1bxt s ASP 206 CO -0.04 -0.97 1.66 1.56 0.52 0.00 0.00 175.17 177.89 1bxt h GLN 207 N 9.07 0.09 -0.07 4.34 4.20 -1.92 -0.10 115.11 130.72 1bxt h GLN 207 Ca -0.28 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.44 1bxt h GLN 207 Cb 1.09 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.85 1bxt h GLN 207 CO 1.00 0.16 0.06 0.66 -0.67 0.00 0.00 178.83 180.04 1bxt h SER 208 N 0.00 0.00 0.23 1.46 4.64 -1.92 -1.09 113.55 116.87 1bxt h SER 208 Ca 0.02 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.01 1bxt h SER 208 Cb 0.10 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.22 1bxt h SER 208 CO -0.00 0.00 -1.52 0.50 -0.87 0.00 0.00 176.83 174.94 1bxt h LYS 209 N 0.00 0.49 -0.15 4.77 3.64 -1.85 -3.32 116.57 120.15 1bxt h LYS 209 Ca 0.03 -0.83 -0.02 0.00 -1.27 0.00 0.00 60.65 58.56 1bxt h LYS 209 Cb 0.15 0.31 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1bxt h LYS 209 CO -0.00 1.40 0.02 -0.92 -2.27 0.00 0.00 179.45 177.68 1bxt h TYR 210 N 0.09 0.27 0.00 1.91 3.20 -0.31 -2.99 116.97 119.15 1bxt h TYR 210 Ca -0.28 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.55 1bxt h TYR 210 Cb 2.11 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 40.31 1bxt h TYR 210 CO 0.13 0.43 0.00 1.28 -1.64 0.00 0.00 178.16 178.36 1bxt n LEU 211 N -4.79 0.00 0.32 2.82 4.77 -0.48 -2.76 117.00 116.89 1bxt n LEU 211 Ca -0.05 0.40 0.21 0.00 -0.03 0.00 0.00 56.01 56.54 1bxt n LEU 211 Cb 0.18 -0.40 1.10 0.00 -2.33 0.00 0.00 43.42 41.98 1bxt n LEU 211 CO 0.36 -0.29 1.15 0.24 -1.33 0.00 0.00 177.39 177.52 1bxt h MET 212 N 0.00 0.00 -0.00 3.23 2.86 -1.62 -1.76 114.93 117.64 1bxt h MET 212 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1bxt h MET 212 Cb 0.11 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 1bxt h MET 212 CO 0.00 0.01 0.03 1.37 1.06 0.00 0.00 176.91 179.38 1bxt h LEU 213 N 0.00 0.00 -0.71 1.22 -0.00 -1.75 -1.01 115.31 113.06 1bxt h LEU 213 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1bxt h LEU 213 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 1bxt h LEU 213 CO 0.00 0.00 -0.13 -1.22 -0.00 0.00 0.00 178.44 177.09 1bxt n TYR 214 N -3.16 0.00 0.84 0.17 4.01 -0.66 -4.38 117.16 113.97 1bxt n TYR 214 Ca -0.03 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.78 1bxt n TYR 214 Cb 0.10 -0.06 0.41 0.00 -0.31 0.00 0.00 39.34 39.48 1bxt n TYR 214 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1bxt n ASN 215 N -0.26 0.00 -0.15 7.72 6.94 -0.39 -2.03 115.26 127.10 1bxt n ASN 215 Ca 0.16 -0.31 0.13 0.00 -0.02 0.00 0.00 54.58 54.53 1bxt n ASN 215 Cb 0.35 -0.07 0.39 0.00 -2.36 0.00 0.00 39.78 38.09 1bxt n ASN 215 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1bxt n ASP 216 N -1.07 0.74 -2.97 0.53 5.75 -1.26 -0.79 116.55 117.48 1bxt n ASP 216 Ca 0.10 -0.60 -0.20 0.00 -0.01 0.00 0.00 54.79 54.07 1bxt n ASP 216 Cb 0.07 0.11 0.01 0.00 -1.03 0.00 0.00 41.12 40.27 1bxt n ASP 216 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1bxt n ASN 217 N -0.97 -4.70 -4.72 -1.12 5.15 -0.86 -4.87 115.26 103.17 1bxt n ASN 217 Ca 0.10 -0.19 -0.42 0.00 -0.60 0.00 0.00 54.58 53.47 1bxt n ASN 217 Cb 0.33 -3.88 -0.03 0.00 -0.53 0.00 0.00 39.78 35.68 1bxt n ASN 217 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1bxt n LYS 218 N -3.56 2.67 -4.26 1.20 3.00 -1.26 -4.90 118.16 111.04 1bxt n LYS 218 Ca -0.09 0.96 -0.17 0.00 -0.00 0.00 0.00 58.31 59.00 1bxt n LYS 218 Cb 0.59 -2.76 -0.11 0.00 0.00 0.00 0.00 35.03 32.75 1bxt n LYS 218 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1bxt s THR 219 N 0.64 1.37 0.22 3.15 -4.23 -1.26 -1.25 115.64 114.28 1bxt s THR 219 Ca 0.71 -1.90 -0.02 0.00 -1.18 0.00 0.00 61.69 59.29 1bxt s THR 219 Cb -0.52 -1.71 -0.03 0.00 1.34 0.00 0.00 72.50 71.57 1bxt s THR 219 CO 0.40 -0.54 0.20 0.68 -0.54 0.00 0.00 174.62 174.82 1bxt s VAL 220 N -2.61 0.00 -0.05 2.29 -7.23 0.16 -4.89 120.40 108.07 1bxt s VAL 220 Ca 0.14 -1.90 -0.30 0.00 -1.81 0.00 0.00 61.98 58.10 1bxt s VAL 220 Cb -0.02 -2.46 -0.02 0.00 0.56 0.00 0.00 36.38 34.43 1bxt s VAL 220 CO 0.03 0.00 1.05 -0.55 -0.31 0.00 0.00 175.10 175.32 1bxt s SER 221 N -3.15 7.24 0.32 4.85 0.15 -1.26 -0.99 113.70 120.85 1bxt s SER 221 Ca 0.36 1.66 0.26 0.00 0.70 0.00 0.00 55.95 58.93 1bxt s SER 221 Cb 0.05 -2.56 1.10 0.00 -1.71 0.00 0.00 66.02 62.90 1bxt s SER 221 CO 0.13 -0.41 1.77 0.77 1.20 0.00 0.00 173.24 176.69 1bxt h SER 222 N 7.04 0.00 -0.42 5.45 4.64 -1.28 -2.38 113.55 126.59 1bxt h SER 222 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1bxt h SER 222 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1bxt h SER 222 CO 0.82 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.24 1bxt n SER 223 N -2.40 3.26 -2.68 4.97 3.41 -1.26 -4.50 113.62 114.43 1bxt n SER 223 Ca 0.01 -1.93 -0.08 0.00 -0.26 0.00 0.00 58.87 56.61 1bxt n SER 223 Cb 0.22 -0.27 0.04 0.00 -0.26 0.00 0.00 64.21 63.94 1bxt n SER 223 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bxt n ALA 224 N 1.17 3.16 -2.86 7.33 0.00 -0.90 -5.10 120.51 123.31 1bxt n ALA 224 Ca 0.17 -2.92 -0.12 0.00 0.00 0.00 0.00 53.44 50.57 1bxt n ALA 224 Cb 0.53 -0.94 -0.14 0.00 0.00 0.00 0.00 19.45 18.89 1bxt n ALA 224 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1bxt s ILE 225 N -2.83 0.03 0.07 0.00 1.10 -1.21 -3.05 121.20 115.31 1bxt s ILE 225 Ca 0.26 -0.04 0.09 0.00 -0.51 0.00 0.00 60.65 60.46 1bxt s ILE 225 Cb 0.45 -0.04 -0.03 0.00 0.15 0.00 0.00 42.46 42.98 1bxt s ILE 225 CO 0.02 -0.00 -0.25 0.00 -2.11 0.00 0.00 174.94 172.60 1bxt s ALA 226 N -0.04 2.12 -0.02 1.50 0.00 -0.47 -4.64 121.76 120.21 1bxt s ALA 226 Ca -0.00 -1.26 0.05 0.00 0.00 0.00 0.00 51.96 50.74 1bxt s ALA 226 Cb -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 1bxt s ALA 226 CO -0.00 0.49 -0.16 0.42 0.00 0.00 0.00 175.76 176.50 1bxt s ILE 227 N -0.90 1.32 -0.05 0.00 1.01 -1.09 -1.39 121.20 120.10 1bxt s ILE 227 Ca 0.11 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 60.08 1bxt s ILE 227 Cb -0.10 -1.11 0.02 0.00 0.01 0.00 0.00 42.46 41.28 1bxt s ILE 227 CO 0.03 0.38 -0.06 -1.61 0.00 0.00 0.00 174.94 173.68 1bxt s GLU 228 N -0.21 0.97 -0.23 2.79 2.02 -0.12 -1.45 118.70 122.47 1bxt s GLU 228 Ca 0.02 -0.16 -0.05 0.00 0.02 0.00 0.00 54.97 54.81 1bxt s GLU 228 Cb -0.08 -0.92 -0.01 0.00 0.10 0.00 0.00 34.13 33.21 1bxt s GLU 228 CO 0.00 -0.06 -0.01 0.08 0.02 0.00 0.00 175.26 175.30 1bxt s VAL 229 N 0.86 3.65 -0.21 2.63 1.01 0.45 0.29 120.40 129.08 1bxt s VAL 229 Ca -0.12 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 1bxt s VAL 229 Cb -0.15 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.55 1bxt s VAL 229 CO 0.01 0.38 -0.10 -1.00 0.00 0.00 0.00 175.10 174.39 1bxt s HIS 230 N 1.52 2.90 0.14 5.22 3.76 -0.30 0.66 115.29 129.19 1bxt s HIS 230 Ca 0.06 -1.27 0.09 0.00 -0.15 0.00 0.00 55.06 53.79 1bxt s HIS 230 Cb -0.15 -2.03 -0.04 0.00 1.11 0.00 0.00 32.58 31.47 1bxt s HIS 230 CO -0.01 -0.66 -0.20 -0.51 -0.85 0.00 0.00 174.74 172.51 1bxt s LEU 231 N 1.39 2.38 -0.09 0.89 1.43 -0.20 -0.88 118.68 123.60 1bxt s LEU 231 Ca 0.05 -0.79 0.05 0.00 -1.03 0.00 0.00 54.13 52.40 1bxt s LEU 231 Cb -0.14 -0.88 -0.00 0.00 0.03 0.00 0.00 46.19 45.20 1bxt s LEU 231 CO -0.07 0.01 -0.24 0.42 0.23 0.00 0.00 176.35 176.70 1bxt s THR 232 N -1.67 2.05 0.49 5.49 -4.23 -0.79 -0.37 115.64 116.61 1bxt s THR 232 Ca 0.12 -1.03 -0.19 0.00 -1.18 0.00 0.00 61.69 59.41 1bxt s THR 232 Cb -0.08 -1.76 -0.08 0.00 1.34 0.00 0.00 72.50 71.92 1bxt s THR 232 CO 0.06 0.56 1.01 -0.54 -0.54 0.00 0.00 174.62 175.17 1bxt s LYS 233 N 0.19 3.85 0.00 3.99 1.02 -1.26 -0.47 119.74 127.07 1bxt s LYS 233 Ca -0.14 1.20 0.28 0.00 0.02 0.00 0.00 55.97 57.33 1bxt s LYS 233 Cb -0.17 -2.11 1.03 0.00 -0.52 0.00 0.00 37.83 36.06 1bxt s LYS 233 CO 0.07 -0.36 1.73 1.63 -0.92 0.00 0.00 175.35 177.50