#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxt s PHE 5 N 0.00 2.66 0.03 3.69 5.36 -1.26 -5.04 117.98 123.42 3cxt s PHE 5 Ca 0.00 1.23 0.03 0.00 -0.96 0.00 0.00 56.93 57.23 3cxt s PHE 5 Cb 0.00 -3.94 -0.02 0.00 -0.34 0.00 0.00 43.02 38.73 3cxt s PHE 5 CO 0.00 -2.75 -0.09 0.45 -1.46 0.00 0.00 175.22 171.37 3cxt s SER 6 N -0.28 1.05 0.65 6.13 0.15 -1.26 -5.02 113.70 115.13 3cxt s SER 6 Ca 0.53 -0.38 0.39 0.00 0.70 0.00 0.00 55.95 57.19 3cxt s SER 6 Cb -0.45 -0.04 2.12 0.00 -1.71 0.00 0.00 66.02 65.94 3cxt s SER 6 CO 0.60 -0.04 2.23 -0.07 1.20 0.00 0.00 173.24 177.16 3cxt h LEU 7 N 5.11 0.00 -1.97 3.45 3.38 -2.04 -1.76 115.31 121.48 3cxt h LEU 7 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3cxt h LEU 7 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3cxt h LEU 7 CO 0.45 0.00 0.22 0.44 0.09 0.00 0.00 178.44 179.64 3cxt h ASP 8 N 0.00 0.00 0.14 -0.43 3.32 -1.98 -1.58 116.42 115.89 3cxt h ASP 8 Ca 0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3cxt h ASP 8 Cb 0.21 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 3cxt h ASP 8 CO -0.00 0.00 -0.06 1.56 -1.72 0.00 0.00 179.24 179.02 3cxt h GLN 9 N 0.00 0.00 0.00 3.56 4.20 -1.72 -1.72 115.11 119.43 3cxt h GLN 9 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3cxt h GLN 9 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 3cxt h GLN 9 CO 0.00 0.06 -0.07 1.19 -0.67 0.00 0.00 178.83 179.34 3cxt n PHE 10 N -3.94 0.92 -2.34 2.96 3.72 -0.59 -1.64 117.46 116.55 3cxt n PHE 10 Ca -0.03 0.27 -0.41 0.00 -0.05 0.00 0.00 57.45 57.23 3cxt n PHE 10 Cb 0.15 -0.93 -0.03 0.00 -0.94 0.00 0.00 39.48 37.73 3cxt n PHE 10 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3cxt s SER 11 N -4.55 7.05 -0.19 4.37 0.15 -0.65 -4.83 113.70 115.06 3cxt s SER 11 Ca 0.10 2.31 0.16 0.00 0.70 0.00 0.00 55.95 59.22 3cxt s SER 11 Cb 0.12 -2.61 0.75 0.00 -1.71 0.00 0.00 66.02 62.57 3cxt s SER 11 CO 0.61 -0.38 1.67 0.18 1.20 0.00 0.00 173.24 176.52 3cxt n LEU 12 N 2.16 5.18 -4.63 3.45 4.77 0.60 -4.73 117.00 123.81 3cxt n LEU 12 Ca 0.03 -2.79 -0.47 0.00 -0.03 0.00 0.00 56.01 52.75 3cxt n LEU 12 Cb 0.44 -0.63 -0.04 0.00 -2.33 0.00 0.00 43.42 40.86 3cxt n LEU 12 CO 0.56 0.69 0.96 1.17 -1.33 0.00 0.00 177.39 179.44 3cxt n LYS 13 N 0.62 1.70 -0.70 3.23 4.81 -1.18 -1.81 118.16 124.83 3cxt n LYS 13 Ca 0.26 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 3cxt n LYS 13 Cb 1.06 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 33.86 3cxt n LYS 13 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cxt n GLY 14 N 2.46 0.84 3.75 3.14 0.00 -1.25 -4.96 105.19 109.16 3cxt n GLY 14 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3cxt n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cxt s LYS 15 N -0.30 2.77 -0.14 1.61 1.02 -0.75 -5.00 119.74 118.96 3cxt s LYS 15 Ca 0.00 -0.76 -0.03 0.00 0.02 0.00 0.00 55.97 55.20 3cxt s LYS 15 Cb 0.00 -2.65 -0.03 0.00 -0.52 0.00 0.00 37.83 34.63 3cxt s LYS 15 CO 0.00 0.55 -0.04 0.42 -0.92 0.00 0.00 175.35 175.36 3cxt s ILE 16 N -1.41 3.92 -0.08 2.17 1.01 -1.26 -0.68 121.20 124.86 3cxt s ILE 16 Ca 0.28 -0.36 0.04 0.00 0.00 0.00 0.00 60.65 60.62 3cxt s ILE 16 Cb -0.12 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.65 3cxt s ILE 16 CO 0.21 0.52 -0.23 0.00 0.00 0.00 0.00 174.94 175.44 3cxt s ALA 17 N 0.07 2.24 -0.30 9.38 0.00 -0.07 -0.63 121.76 132.45 3cxt s ALA 17 Ca -0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 50.85 3cxt s ALA 17 Cb -0.13 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 3cxt s ALA 17 CO 0.03 0.35 0.20 -1.17 0.00 0.00 0.00 175.76 175.17 3cxt s LEU 18 N 0.08 4.16 -0.24 0.00 2.96 0.39 -1.09 118.68 124.96 3cxt s LEU 18 Ca -0.10 -0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 53.59 3cxt s LEU 18 Cb -0.16 -2.11 0.01 0.00 0.50 0.00 0.00 46.19 44.43 3cxt s LEU 18 CO 0.06 -0.12 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.24 3cxt s VAL 19 N 1.73 3.23 0.33 1.68 1.01 -0.65 0.15 120.40 127.89 3cxt s VAL 19 Ca 0.07 -0.70 -0.26 0.00 0.00 0.00 0.00 61.98 61.09 3cxt s VAL 19 Cb -0.16 -2.54 -0.10 0.00 0.00 0.00 0.00 36.38 33.58 3cxt s VAL 19 CO 0.10 0.32 0.96 0.42 0.00 0.00 0.00 175.10 176.90 3cxt s THR 20 N 1.43 4.14 -1.46 3.92 -4.23 -0.57 -3.65 115.64 115.22 3cxt s THR 20 Ca 0.04 1.75 -0.08 0.00 -1.18 0.00 0.00 61.69 62.22 3cxt s THR 20 Cb -0.15 -3.96 0.03 0.00 1.34 0.00 0.00 72.50 69.76 3cxt s THR 20 CO -0.03 0.12 0.71 0.61 -0.54 0.00 0.00 174.62 175.48 3cxt n GLY 21 N 0.51 -0.51 2.15 3.99 0.00 -0.08 -2.40 105.19 108.85 3cxt n GLY 21 Ca 0.02 0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 3cxt n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cxt n ALA 22 N -3.91 5.69 0.17 4.61 0.00 -1.23 -4.50 120.51 121.34 3cxt n ALA 22 Ca -0.05 -2.79 0.06 0.00 0.00 0.00 0.00 53.44 50.66 3cxt n ALA 22 Cb 0.58 -1.56 0.14 0.00 0.00 0.00 0.00 19.45 18.60 3cxt n ALA 22 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3cxt h SER 23 N 1.48 0.00 -1.40 0.00 4.64 -1.86 -3.33 113.55 113.08 3cxt h SER 23 Ca 0.53 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.85 3cxt h SER 23 Cb 1.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 3cxt h SER 23 CO 1.21 0.33 0.06 0.00 -0.87 0.00 0.00 176.83 177.56 3cxt n TYR 24 N -3.22 -1.28 -4.90 4.77 4.11 -1.26 -3.69 117.16 111.70 3cxt n TYR 24 Ca 0.02 -0.38 0.00 0.00 -0.00 0.00 0.00 57.90 57.54 3cxt n TYR 24 Cb 0.63 0.19 0.00 0.00 -0.00 0.00 0.00 39.34 40.16 3cxt n TYR 24 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3cxt n GLY 25 N -0.11 1.70 0.27 -7.48 0.00 -1.26 -2.19 105.19 96.12 3cxt n GLY 25 Ca -0.02 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 3cxt n GLY 25 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3cxt h ILE 26 N 0.00 1.26 -0.52 -0.61 2.04 -1.97 -2.28 117.51 115.44 3cxt h ILE 26 Ca 0.00 -0.98 0.04 0.00 1.00 0.00 0.00 64.86 64.92 3cxt h ILE 26 Cb 0.00 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 3cxt h ILE 26 CO 0.00 0.36 0.28 1.23 0.00 0.00 0.00 178.15 180.01 3cxt h GLY 27 N 0.83 0.73 1.02 5.37 0.00 -1.83 -1.48 103.07 107.70 3cxt h GLY 27 Ca 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3cxt h GLY 27 CO 0.01 0.14 0.49 -2.75 0.00 0.00 0.00 176.54 174.42 3cxt h PHE 28 N 0.54 1.13 -0.52 5.60 3.57 -1.29 -0.86 116.94 125.11 3cxt h PHE 28 Ca 0.22 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.61 3cxt h PHE 28 Cb 0.11 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.46 3cxt h PHE 28 CO -0.09 0.76 -0.07 0.00 -2.23 0.00 0.00 178.31 176.68 3cxt h ALA 29 N 1.26 0.70 -0.10 2.41 0.00 -1.02 0.87 119.26 123.39 3cxt h ALA 29 Ca 0.30 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3cxt h ALA 29 Cb -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3cxt h ALA 29 CO -0.05 0.58 -0.01 0.82 0.00 0.00 0.00 179.25 180.58 3cxt h ILE 30 N 0.82 1.27 -0.78 0.00 2.04 -1.11 -1.79 117.51 117.97 3cxt h ILE 30 Ca 0.14 -0.88 0.03 0.00 1.00 0.00 0.00 64.86 65.15 3cxt h ILE 30 Cb 0.62 1.66 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 3cxt h ILE 30 CO 0.04 0.25 0.50 0.00 0.00 0.00 0.00 178.15 178.94 3cxt h ALA 31 N 0.71 1.03 -0.35 1.87 0.00 -1.02 -0.46 119.26 121.03 3cxt h ALA 31 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3cxt h ALA 31 Cb 0.40 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3cxt h ALA 31 CO 0.01 0.30 0.23 0.77 0.00 0.00 0.00 179.25 180.56 3cxt h SER 32 N 0.96 0.41 -0.63 0.00 0.02 -0.76 -1.02 113.55 112.53 3cxt h SER 32 Ca 0.31 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 3cxt h SER 32 Cb 0.02 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 3cxt h SER 32 CO -0.11 0.30 0.37 0.00 -1.14 0.00 0.00 176.83 176.24 3cxt h ALA 33 N 1.13 0.80 -0.23 3.77 0.00 -0.93 -1.15 119.26 122.64 3cxt h ALA 33 Ca 0.13 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3cxt h ALA 33 Cb -0.05 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 3cxt h ALA 33 CO -0.03 0.29 -0.04 1.88 0.00 0.00 0.00 179.25 181.35 3cxt h TYR 34 N 0.85 -0.09 -0.38 0.00 -1.99 -0.81 0.13 116.97 114.67 3cxt h TYR 34 Ca 0.23 0.02 0.05 0.00 2.00 0.00 0.00 58.73 61.02 3cxt h TYR 34 Cb -0.01 0.08 -0.04 0.00 2.00 0.00 0.00 36.73 38.75 3cxt h TYR 34 CO -0.02 -0.08 0.13 0.00 -0.00 0.00 0.00 178.16 178.19 3cxt h ALA 35 N 1.22 0.45 -0.16 3.88 0.00 -1.06 -0.27 119.26 123.32 3cxt h ALA 35 Ca 0.11 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3cxt h ALA 35 Cb 0.16 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3cxt h ALA 35 CO -0.23 -0.27 0.08 0.87 0.00 0.00 0.00 179.25 179.71 3cxt h LYS 36 N 0.28 0.22 0.00 0.00 1.79 -0.77 -0.69 116.57 117.39 3cxt h LYS 36 Ca 0.18 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 3cxt h LYS 36 Cb 0.17 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 3cxt h LYS 36 CO -0.19 0.17 0.00 0.00 -1.08 0.00 0.00 179.45 178.35 3cxt n ALA 37 N -2.51 2.55 0.00 3.86 0.00 0.41 -4.89 120.51 119.94 3cxt n ALA 37 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3cxt n ALA 37 Cb 0.10 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.05 3cxt n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cxt n GLY 38 N 1.14 1.31 3.85 0.00 0.00 -0.27 -0.29 105.19 110.92 3cxt n GLY 38 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3cxt n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cxt s ALA 39 N -2.00 3.07 -0.05 4.61 0.00 -0.19 -3.80 121.76 123.41 3cxt s ALA 39 Ca 0.00 0.15 -0.22 0.00 0.00 0.00 0.00 51.96 51.90 3cxt s ALA 39 Cb 0.00 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 3cxt s ALA 39 CO 0.00 -0.27 0.64 0.99 0.00 0.00 0.00 175.76 177.12 3cxt s THR 40 N -2.66 5.00 -0.22 0.00 2.01 0.14 -4.09 115.64 115.82 3cxt s THR 40 Ca 0.58 1.32 -0.09 0.00 0.31 0.00 0.00 61.69 63.82 3cxt s THR 40 Cb -0.10 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 3cxt s THR 40 CO 0.33 0.32 0.10 -0.63 -0.69 0.00 0.00 174.62 174.06 3cxt s ILE 41 N 0.40 4.91 0.10 1.82 -1.09 -1.26 -0.89 121.20 125.18 3cxt s ILE 41 Ca 0.34 0.02 0.09 0.00 -2.23 0.00 0.00 60.65 58.87 3cxt s ILE 41 Cb -0.18 -3.26 -0.03 0.00 -1.58 0.00 0.00 42.46 37.41 3cxt s ILE 41 CO 0.17 0.39 -0.23 0.68 -1.23 0.00 0.00 174.94 174.72 3cxt s VAL 42 N 0.88 1.93 0.12 2.92 -7.23 -0.25 -1.12 120.40 117.66 3cxt s VAL 42 Ca 0.05 -1.55 -0.20 0.00 -1.81 0.00 0.00 61.98 58.47 3cxt s VAL 42 Cb -0.13 -1.72 0.05 0.00 0.56 0.00 0.00 36.38 35.14 3cxt s VAL 42 CO 0.03 0.07 0.51 0.72 -0.31 0.00 0.00 175.10 176.12 3cxt s PHE 43 N -1.04 -0.40 0.12 2.82 -0.12 0.01 -1.63 117.98 117.75 3cxt s PHE 43 Ca 0.10 0.22 0.05 0.00 -0.05 0.00 0.00 56.93 57.24 3cxt s PHE 43 Cb -0.10 0.40 -0.04 0.00 -0.63 0.00 0.00 43.02 42.65 3cxt s PHE 43 CO 0.04 -0.75 -0.11 0.54 -0.05 0.00 0.00 175.22 174.89 3cxt s ASN 44 N -2.57 1.74 0.28 1.98 4.22 -1.24 -1.09 114.94 118.26 3cxt s ASN 44 Ca 0.00 -0.88 -0.10 0.00 -2.14 0.00 0.00 52.86 49.74 3cxt s ASN 44 Cb 0.00 -0.02 -0.00 0.00 1.28 0.00 0.00 41.25 42.51 3cxt s ASN 44 CO -0.10 -0.25 0.48 -0.62 -2.04 0.00 0.00 177.10 174.57 3cxt s ASP 45 N -2.71 0.19 0.37 3.54 -1.08 -0.67 -0.90 116.67 115.41 3cxt s ASP 45 Ca 0.11 -1.11 0.19 0.00 -0.52 0.00 0.00 52.55 51.21 3cxt s ASP 45 Cb -0.02 0.61 0.66 0.00 -1.46 0.00 0.00 42.92 42.71 3cxt s ASP 45 CO 0.01 -1.20 1.72 0.16 0.52 0.00 0.00 175.17 176.38 3cxt h ILE 46 N 2.22 0.88 -4.11 4.11 3.07 -1.89 -1.45 117.51 120.34 3cxt h ILE 46 Ca -0.28 -1.54 -0.20 0.00 1.55 0.00 0.00 64.86 64.39 3cxt h ILE 46 Cb 1.25 1.94 -0.15 0.00 -0.27 0.00 0.00 36.82 39.59 3cxt h ILE 46 CO 0.38 0.37 -0.67 0.54 -1.05 0.00 0.00 178.15 177.72 3cxt s ASN 47 N -6.44 0.73 0.29 2.16 2.20 -1.26 -4.65 114.94 107.97 3cxt s ASN 47 Ca 0.00 -1.12 -0.03 0.00 -0.94 0.00 0.00 52.86 50.78 3cxt s ASN 47 Cb 0.11 0.19 0.40 0.00 -2.00 0.00 0.00 41.25 39.96 3cxt s ASN 47 CO 0.69 -0.61 1.96 -0.61 -2.94 0.00 0.00 177.10 175.59 3cxt h GLN 48 N 2.90 1.14 0.04 3.55 5.75 -1.97 -2.69 115.11 123.83 3cxt h GLN 48 Ca -0.35 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.08 3cxt h GLN 48 Cb 1.18 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 29.47 3cxt h GLN 48 CO 0.63 0.75 -0.05 0.93 -2.65 0.00 0.00 178.83 178.44 3cxt h GLU 49 N 1.17 -0.11 -0.73 1.69 3.07 -1.99 0.21 114.58 117.90 3cxt h GLU 49 Ca 0.32 0.01 0.04 0.00 -0.50 0.00 0.00 59.36 59.22 3cxt h GLU 49 Cb -0.14 0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 27.75 3cxt h GLU 49 CO -0.07 -0.07 0.45 -0.07 -1.40 0.00 0.00 179.01 177.85 3cxt h LEU 50 N -0.11 0.72 -0.40 1.33 3.38 -1.97 -0.59 115.31 117.67 3cxt h LEU 50 Ca 0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3cxt h LEU 50 Cb 0.12 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3cxt h LEU 50 CO -0.03 0.49 0.20 0.58 0.09 0.00 0.00 178.44 179.78 3cxt h VAL 51 N 0.86 1.17 -0.77 1.22 2.07 -1.08 -1.14 116.25 118.57 3cxt h VAL 51 Ca 0.30 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.36 3cxt h VAL 51 Cb 0.06 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 3cxt h VAL 51 CO -0.13 0.18 0.51 0.44 0.02 0.00 0.00 177.57 178.59 3cxt h ASP 52 N 0.51 0.89 -0.06 0.57 3.32 -0.27 0.16 116.42 121.56 3cxt h ASP 52 Ca 0.14 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.19 3cxt h ASP 52 Cb 0.10 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 3cxt h ASP 52 CO -0.02 0.65 -0.13 -0.09 -1.72 0.00 0.00 179.24 177.94 3cxt h ARG 53 N 1.05 -0.18 -0.33 3.56 2.43 -0.87 -1.55 114.38 118.49 3cxt h ARG 53 Ca 0.28 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 3cxt h ARG 53 Cb -0.11 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3cxt h ARG 53 CO -0.06 -0.12 0.18 0.78 -1.51 0.00 0.00 179.97 179.24 3cxt h GLY 54 N -0.18 0.49 0.42 2.80 0.00 -0.71 -1.96 103.07 103.93 3cxt h GLY 54 Ca 0.06 -0.22 0.08 0.00 0.00 0.00 0.00 47.33 47.26 3cxt h GLY 54 CO -0.17 0.21 0.18 -0.33 0.00 0.00 0.00 176.54 176.43 3cxt h MET 55 N 0.40 0.33 -0.54 4.80 2.86 -0.48 0.85 114.93 123.16 3cxt h MET 55 Ca 0.11 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 3cxt h MET 55 Cb 0.06 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 3cxt h MET 55 CO -0.02 0.22 0.23 0.00 1.06 0.00 0.00 176.91 178.40 3cxt h ALA 56 N 1.38 0.70 -0.58 6.32 0.00 -1.17 -1.49 119.26 124.42 3cxt h ALA 56 Ca 0.27 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3cxt h ALA 56 Cb 0.33 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3cxt h ALA 56 CO -0.29 0.29 0.20 0.00 0.00 0.00 0.00 179.25 179.45 3cxt h ALA 57 N 1.07 0.76 -0.15 0.00 0.00 -0.78 0.65 119.26 120.81 3cxt h ALA 57 Ca 0.18 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3cxt h ALA 57 Cb 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3cxt h ALA 57 CO -0.02 0.41 0.07 1.88 0.00 0.00 0.00 179.25 181.59 3cxt h TYR 58 N 0.81 0.12 -0.37 0.00 -1.99 -0.77 -1.38 116.97 113.41 3cxt h TYR 58 Ca 0.19 0.01 0.06 0.00 2.00 0.00 0.00 58.73 60.98 3cxt h TYR 58 Cb 0.26 -0.03 -0.05 0.00 2.00 0.00 0.00 36.73 38.91 3cxt h TYR 58 CO 0.02 0.07 0.07 -0.22 -0.00 0.00 0.00 178.16 178.10 3cxt h LYS 59 N 0.15 0.19 -0.28 4.88 3.64 -1.07 0.65 116.57 124.73 3cxt h LYS 59 Ca 0.06 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 3cxt h LYS 59 Cb 0.02 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3cxt h LYS 59 CO -0.05 0.12 0.19 0.00 -2.27 0.00 0.00 179.45 177.44 3cxt h ALA 60 N 1.28 1.95 -0.01 5.00 0.00 -0.67 -0.91 119.26 125.89 3cxt h ALA 60 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3cxt h ALA 60 Cb 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3cxt h ALA 60 CO -0.23 0.01 -0.04 0.00 0.00 0.00 0.00 179.25 178.99 3cxt n ALA 61 N -2.52 2.68 -1.01 0.00 0.00 -0.13 -4.91 120.51 114.61 3cxt n ALA 61 Ca 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3cxt n ALA 61 Cb 0.17 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3cxt n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cxt n GLY 62 N 1.15 0.85 3.21 0.00 0.00 -0.35 -5.06 105.19 104.99 3cxt n GLY 62 Ca 0.19 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 3cxt n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cxt s ILE 63 N -2.00 2.18 -1.14 -0.61 1.01 0.04 -4.99 121.20 115.68 3cxt s ILE 63 Ca 0.00 -0.96 -0.13 0.00 0.00 0.00 0.00 60.65 59.56 3cxt s ILE 63 Cb 0.00 -1.86 0.20 0.00 0.01 0.00 0.00 42.46 40.82 3cxt s ILE 63 CO 0.00 0.55 1.28 0.21 0.00 0.00 0.00 174.94 176.98 3cxt s ASN 64 N 0.57 7.10 0.64 3.58 2.47 -1.26 -3.06 114.94 124.97 3cxt s ASN 64 Ca -0.13 -3.09 -0.11 0.00 0.42 0.00 0.00 52.86 49.96 3cxt s ASN 64 Cb -0.17 -2.33 -0.02 0.00 -1.45 0.00 0.00 41.25 37.28 3cxt s ASN 64 CO 0.04 -0.62 1.04 0.00 -3.72 0.00 0.00 177.10 173.83 3cxt s ALA 65 N 0.73 3.05 -0.23 1.71 0.00 -1.26 -4.63 121.76 121.13 3cxt s ALA 65 Ca 0.37 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.15 3cxt s ALA 65 Cb -0.06 -3.03 0.05 0.00 0.00 0.00 0.00 23.12 20.08 3cxt s ALA 65 CO -0.04 -0.82 -0.11 -1.01 0.00 0.00 0.00 175.76 173.78 3cxt s HIS 66 N -3.21 2.85 -0.07 0.00 0.09 -0.27 -5.01 115.29 109.66 3cxt s HIS 66 Ca 0.56 -1.95 0.01 0.00 -0.00 0.00 0.00 55.06 53.67 3cxt s HIS 66 Cb -0.11 -1.80 -0.03 0.00 -0.00 0.00 0.00 32.58 30.64 3cxt s HIS 66 CO 0.53 -0.82 -0.08 0.20 -0.00 0.00 0.00 174.74 174.57 3cxt s GLY 67 N 1.25 1.67 -0.01 -2.22 0.00 -1.26 -0.81 107.32 105.93 3cxt s GLY 67 Ca -0.04 -0.90 0.03 0.00 0.00 0.00 0.00 44.72 43.81 3cxt s GLY 67 CO -0.07 -0.64 -0.11 -0.19 0.00 0.00 0.00 173.10 172.08 3cxt s TYR 68 N -0.73 1.04 -0.20 1.90 1.51 -0.25 -4.98 117.35 115.64 3cxt s TYR 68 Ca 0.11 -0.22 -0.27 0.00 -1.01 0.00 0.00 57.07 55.68 3cxt s TYR 68 Cb -0.11 -0.69 -0.00 0.00 -0.11 0.00 0.00 41.96 41.04 3cxt s TYR 68 CO 0.01 -0.05 0.93 0.08 -1.11 0.00 0.00 175.55 175.42 3cxt s VAL 69 N -0.14 4.78 -0.28 0.71 1.01 -1.26 -1.66 120.40 123.56 3cxt s VAL 69 Ca 0.02 1.82 -0.21 0.00 0.00 0.00 0.00 61.98 63.62 3cxt s VAL 69 Cb -0.06 -4.22 0.12 0.00 0.00 0.00 0.00 36.38 32.22 3cxt s VAL 69 CO -0.00 -0.08 0.95 0.00 0.00 0.00 0.00 175.10 175.97 3cxt s ASP 71 N 0.83 7.27 0.44 0.00 -1.08 -1.26 -4.18 116.67 118.68 3cxt s ASP 71 Ca -0.03 1.54 0.30 0.00 -0.52 0.00 0.00 52.55 53.84 3cxt s ASP 71 Cb -0.04 -2.54 1.23 0.00 -1.46 0.00 0.00 42.92 40.11 3cxt s ASP 71 CO -0.11 -0.30 1.89 -0.37 0.52 0.00 0.00 175.17 176.80 3cxt h VAL 72 N 4.89 0.00 -0.00 1.11 -1.51 -1.96 -2.29 116.25 116.49 3cxt h VAL 72 Ca -0.38 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 3cxt h VAL 72 Cb 1.19 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 3cxt h VAL 72 CO 0.78 0.00 -0.16 0.35 -1.23 0.00 0.00 177.57 177.31 3cxt n THR 73 N -2.77 0.00 -3.18 7.19 -2.24 -1.26 -4.64 114.28 107.38 3cxt n THR 73 Ca 0.01 -0.06 -0.46 0.00 -2.27 0.00 0.00 64.05 61.27 3cxt n THR 73 Cb 0.27 -0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.47 3cxt n THR 73 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3cxt s ASP 74 N -2.56 6.51 0.11 3.42 2.15 -0.86 -4.95 116.67 120.48 3cxt s ASP 74 Ca 0.25 -2.11 -0.24 0.00 0.43 0.00 0.00 52.55 50.89 3cxt s ASP 74 Cb 0.20 -2.27 -0.10 0.00 -0.30 0.00 0.00 42.92 40.44 3cxt s ASP 74 CO 0.51 -0.86 1.70 -0.08 -0.17 0.00 0.00 175.17 176.27 3cxt h GLU 75 N 8.52 -0.17 -0.70 4.34 4.81 -1.85 0.17 114.58 129.70 3cxt h GLU 75 Ca -0.04 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.31 3cxt h GLU 75 Cb 1.06 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.40 3cxt h GLU 75 CO 0.96 -0.11 0.30 -0.44 -0.73 0.00 0.00 179.01 178.98 3cxt h ASP 76 N -0.18 0.32 -0.50 1.04 3.32 -1.97 0.13 116.42 118.58 3cxt h ASP 76 Ca 0.03 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3cxt h ASP 76 Cb 0.21 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3cxt h ASP 76 CO -0.08 0.16 0.33 1.23 -1.72 0.00 0.00 179.24 179.16 3cxt h GLY 77 N 0.48 0.71 0.93 2.75 0.00 -1.71 -2.13 103.07 104.10 3cxt h GLY 77 Ca 0.36 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.37 3cxt h GLY 77 CO -0.33 0.26 0.03 -2.22 0.00 0.00 0.00 176.54 174.29 3cxt h ILE 78 N 0.68 1.25 -0.24 2.60 1.08 0.03 -0.89 117.51 122.02 3cxt h ILE 78 Ca 0.18 -0.91 0.01 0.00 -0.39 0.00 0.00 64.86 63.75 3cxt h ILE 78 Cb -0.07 1.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.78 3cxt h ILE 78 CO -0.04 0.31 0.15 1.56 -0.69 0.00 0.00 178.15 179.43 3cxt h GLN 79 N 0.47 0.29 -0.66 2.37 1.08 -0.70 0.25 115.11 118.21 3cxt h GLN 79 Ca 0.11 -0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.36 3cxt h GLN 79 Cb 0.41 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.71 3cxt h GLN 79 CO 0.01 0.19 0.35 0.00 -0.95 0.00 0.00 178.83 178.44 3cxt h ALA 80 N 1.10 0.88 -0.47 3.87 0.00 -1.33 -0.40 119.26 122.91 3cxt h ALA 80 Ca 0.09 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3cxt h ALA 80 Cb -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3cxt h ALA 80 CO -0.03 0.01 0.29 1.98 0.00 0.00 0.00 179.25 181.50 3cxt h MET 81 N 0.64 0.63 -0.60 0.00 1.85 -0.73 -0.11 114.93 116.60 3cxt h MET 81 Ca 0.30 -0.05 -0.04 0.00 -0.61 0.00 0.00 59.70 59.31 3cxt h MET 81 Cb 0.22 -0.14 -0.03 0.00 0.43 0.00 0.00 31.60 32.09 3cxt h MET 81 CO -0.20 0.44 0.24 0.28 -0.40 0.00 0.00 176.91 177.27 3cxt h VAL 82 N 0.63 1.23 -0.64 -5.77 2.07 -0.55 0.05 116.25 113.26 3cxt h VAL 82 Ca 0.17 -0.72 0.08 0.00 0.82 0.00 0.00 66.70 67.05 3cxt h VAL 82 Cb -0.03 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.25 3cxt h VAL 82 CO -0.03 0.28 0.31 0.00 0.02 0.00 0.00 177.57 178.15 3cxt h ALA 83 N 1.09 0.86 -0.38 1.67 0.00 -0.73 -0.18 119.26 121.59 3cxt h ALA 83 Ca 0.20 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3cxt h ALA 83 Cb 0.21 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3cxt h ALA 83 CO -0.02 -0.07 0.11 0.37 0.00 0.00 0.00 179.25 179.64 3cxt h GLN 84 N 0.55 0.59 -0.51 0.00 4.15 -0.43 -2.18 115.11 117.29 3cxt h GLN 84 Ca 0.31 -0.13 0.02 0.00 0.77 0.00 0.00 58.65 59.62 3cxt h GLN 84 Cb 0.30 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 3cxt h GLN 84 CO -0.24 0.61 0.31 0.82 -1.93 0.00 0.00 178.83 178.40 3cxt h ILE 85 N 0.46 1.06 -0.79 2.39 2.04 -0.72 0.27 117.51 122.22 3cxt h ILE 85 Ca 0.12 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 3cxt h ILE 85 Cb 0.28 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 3cxt h ILE 85 CO -0.00 0.11 0.48 -0.33 0.00 0.00 0.00 178.15 178.41 3cxt h GLU 86 N 0.62 1.07 0.08 2.37 5.08 -0.88 0.29 114.58 123.21 3cxt h GLU 86 Ca 0.20 -0.09 -0.25 0.00 -1.00 0.00 0.00 59.36 58.22 3cxt h GLU 86 Cb 0.01 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 3cxt h GLU 86 CO -0.08 0.75 -1.15 0.66 -1.00 0.00 0.00 179.01 178.18 3cxt h SER 87 N 1.09 0.30 0.39 1.42 4.64 -1.04 -3.24 113.55 117.11 3cxt h SER 87 Ca 0.29 -0.32 -0.23 0.00 -0.47 0.00 0.00 61.79 61.06 3cxt h SER 87 Cb -0.05 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 61.90 3cxt h SER 87 CO -0.05 1.24 -1.80 -0.62 -0.87 0.00 0.00 176.83 174.72 3cxt n GLU 88 N -3.49 0.65 0.04 4.77 1.02 0.05 -4.80 120.64 118.87 3cxt n GLU 88 Ca -0.06 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 3cxt n GLU 88 Cb 0.99 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 3cxt n GLU 88 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3cxt n VAL 89 N -2.81 0.37 -1.00 2.62 0.31 0.82 -5.06 118.33 113.57 3cxt n VAL 89 Ca -0.17 0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 3cxt n VAL 89 Cb 0.94 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 3cxt n VAL 89 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3cxt n GLY 90 N 2.65 -0.19 3.72 2.92 0.00 -0.08 -5.00 105.19 109.21 3cxt n GLY 90 Ca 0.00 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 3cxt n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cxt s ILE 91 N -2.03 3.62 -0.27 -0.61 -1.09 -1.26 -3.48 121.20 116.08 3cxt s ILE 91 Ca 0.00 1.23 -0.29 0.00 -2.23 0.00 0.00 60.65 59.36 3cxt s ILE 91 Cb 0.00 -3.79 -0.02 0.00 -1.58 0.00 0.00 42.46 37.07 3cxt s ILE 91 CO 0.00 0.13 1.65 -0.63 -1.23 0.00 0.00 174.94 174.86 3cxt s ILE 92 N 0.65 3.65 -0.12 2.92 1.01 -1.26 -4.35 121.20 123.70 3cxt s ILE 92 Ca 0.58 0.71 0.15 0.00 0.00 0.00 0.00 60.65 62.10 3cxt s ILE 92 Cb -0.33 -3.74 -0.06 0.00 0.01 0.00 0.00 42.46 38.34 3cxt s ILE 92 CO 0.33 -0.37 1.10 0.44 0.00 0.00 0.00 174.94 176.43 3cxt h ASP 93 N 11.33 0.00 -3.37 3.58 3.32 -1.22 -3.42 116.42 126.65 3cxt h ASP 93 Ca -0.33 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.41 3cxt h ASP 93 Cb 1.15 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.35 3cxt h ASP 93 CO 1.02 0.58 -0.69 -0.63 -1.72 0.00 0.00 179.24 177.79 3cxt s ILE 94 N -2.92 -0.11 -0.14 0.35 1.01 -0.77 -1.27 121.20 117.35 3cxt s ILE 94 Ca 0.00 0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.93 3cxt s ILE 94 Cb 0.08 -0.17 -0.02 0.00 0.01 0.00 0.00 42.46 42.37 3cxt s ILE 94 CO 0.79 0.12 -0.09 -0.22 0.00 0.00 0.00 174.94 175.54 3cxt s LEU 95 N 1.63 2.94 -0.32 2.97 2.96 0.25 -0.46 118.68 128.66 3cxt s LEU 95 Ca -0.03 -0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 53.59 3cxt s LEU 95 Cb -0.12 -1.68 0.04 0.00 0.50 0.00 0.00 46.19 44.93 3cxt s LEU 95 CO -0.04 0.16 0.05 -0.69 -1.32 0.00 0.00 176.35 174.52 3cxt s VAL 96 N 0.37 3.39 -1.05 1.68 1.01 0.12 -0.03 120.40 125.90 3cxt s VAL 96 Ca -0.08 -1.26 -0.22 0.00 0.00 0.00 0.00 61.98 60.42 3cxt s VAL 96 Cb -0.15 -2.94 0.05 0.00 0.00 0.00 0.00 36.38 33.34 3cxt s VAL 96 CO 0.04 -0.15 1.49 0.20 0.00 0.00 0.00 175.10 176.68 3cxt s ASN 97 N 1.33 6.52 -0.13 3.32 0.01 0.00 -1.51 114.94 124.49 3cxt s ASN 97 Ca -0.03 -1.55 0.13 0.00 -0.71 0.00 0.00 52.86 50.70 3cxt s ASN 97 Cb -0.20 -2.57 -0.18 0.00 0.41 0.00 0.00 41.25 38.71 3cxt s ASN 97 CO 0.01 -1.49 0.08 -3.20 -1.51 0.00 0.00 177.10 170.99 3cxt n ASN 98 N 8.90 1.54 -4.69 -1.22 5.15 -1.25 -1.46 115.26 122.24 3cxt n ASN 98 Ca 0.35 0.00 -0.44 0.00 -0.60 0.00 0.00 54.58 53.89 3cxt n ASN 98 Cb 0.50 0.94 -0.03 0.00 -0.53 0.00 0.00 39.78 40.66 3cxt n ASN 98 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3cxt n ALA 99 N -2.47 1.44 -3.76 5.20 0.00 -1.01 -4.90 120.51 115.01 3cxt n ALA 99 Ca -0.21 0.41 -0.03 0.00 0.00 0.00 0.00 53.44 53.61 3cxt n ALA 99 Cb 0.90 -2.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.01 3cxt n ALA 99 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3cxt s GLY 100 N 0.41 -0.21 0.15 0.00 0.00 -1.26 -4.77 107.32 101.63 3cxt s GLY 100 Ca 0.69 0.09 0.05 0.00 0.00 0.00 0.00 44.72 45.54 3cxt s GLY 100 CO 0.48 0.08 -0.11 -0.26 0.00 0.00 0.00 173.10 173.29 3cxt s ILE 101 N -3.24 1.23 0.03 0.90 -4.36 -1.26 -5.06 121.20 109.44 3cxt s ILE 101 Ca 0.13 -2.03 0.04 0.00 -0.26 0.00 0.00 60.65 58.53 3cxt s ILE 101 Cb -0.01 -1.81 -0.02 0.00 1.25 0.00 0.00 42.46 41.86 3cxt s ILE 101 CO 0.03 -0.69 -0.11 -0.51 0.24 0.00 0.00 174.94 173.89 3cxt s ILE 102 N -3.14 0.89 0.02 8.37 2.07 -1.26 -4.91 121.20 123.24 3cxt s ILE 102 Ca 0.16 -0.88 0.05 0.00 -1.41 0.00 0.00 60.65 58.57 3cxt s ILE 102 Cb 0.01 -0.82 -0.02 0.00 0.13 0.00 0.00 42.46 41.76 3cxt s ILE 102 CO 0.01 -0.04 -0.14 -0.13 -1.91 0.00 0.00 174.94 172.73 3cxt s ARG 103 N -1.03 1.01 -0.27 3.50 1.81 -1.26 -5.13 118.95 117.58 3cxt s ARG 103 Ca -0.00 -0.69 0.01 0.00 -1.72 0.00 0.00 55.73 53.33 3cxt s ARG 103 Cb -0.07 -1.01 0.06 0.00 -0.45 0.00 0.00 34.95 33.47 3cxt s ARG 103 CO 0.01 0.26 -0.08 1.03 -0.68 0.00 0.00 175.30 175.84 3cxt s ARG 104 N -0.90 2.30 -0.26 3.54 0.52 -1.26 -4.54 118.95 118.36 3cxt s ARG 104 Ca 0.03 -1.32 -0.12 0.00 -0.52 0.00 0.00 55.73 53.79 3cxt s ARG 104 Cb -0.07 -2.98 0.09 0.00 0.52 0.00 0.00 34.95 32.51 3cxt s ARG 104 CO 0.01 -0.59 0.60 0.08 0.02 0.00 0.00 175.30 175.42 3cxt s VAL 105 N 1.15 -0.30 0.19 3.52 1.01 0.72 -5.01 120.40 121.68 3cxt s VAL 105 Ca -0.08 0.03 -0.32 0.00 0.00 0.00 0.00 61.98 61.61 3cxt s VAL 105 Cb -0.20 -0.89 -0.15 0.00 0.00 0.00 0.00 36.38 35.14 3cxt s VAL 105 CO -0.04 0.01 1.28 -2.65 0.00 0.00 0.00 175.10 173.70 3cxt n PRO 106 N 4.67 1.52 -0.16 2.72 -0.02 -1.26 -4.29 135.00 138.18 3cxt n PRO 106 Ca -0.18 0.54 -0.02 0.00 -2.02 0.00 0.00 63.50 61.82 3cxt n PRO 106 Cb 0.55 -2.12 0.07 0.00 -0.02 0.00 0.00 33.50 31.98 3cxt n PRO 106 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 3cxt h MET 107 N 3.84 0.25 0.00 -0.52 4.05 -1.96 0.90 114.93 121.49 3cxt h MET 107 Ca -0.44 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.96 3cxt h MET 107 Cb 1.31 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.06 3cxt h MET 107 CO 0.73 0.16 0.00 -0.84 0.23 0.00 0.00 176.91 177.20 3cxt h ILE 108 N 0.25 0.00 0.00 1.77 3.07 -2.03 -0.72 117.51 119.86 3cxt h ILE 108 Ca 0.26 -0.35 0.00 0.00 1.55 0.00 0.00 64.86 66.31 3cxt h ILE 108 Cb 0.34 1.32 0.00 0.00 -0.27 0.00 0.00 36.82 38.21 3cxt h ILE 108 CO -0.32 0.00 -0.50 -0.33 -1.05 0.00 0.00 178.15 175.95 3cxt h GLU 109 N 0.00 0.00 -6.58 0.16 5.08 -1.20 -3.47 114.58 108.58 3cxt h GLU 109 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3cxt h GLU 109 Cb 0.36 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.62 3cxt h GLU 109 CO 0.00 0.00 0.56 1.41 -1.00 0.00 0.00 179.01 179.98 3cxt s MET 110 N -3.18 4.46 0.55 2.33 1.75 -0.28 -4.96 119.30 119.98 3cxt s MET 110 Ca 0.06 1.83 -0.18 0.00 -1.25 0.00 0.00 55.69 56.16 3cxt s MET 110 Cb 0.12 -3.29 -0.05 0.00 2.84 0.00 0.00 34.83 34.45 3cxt s MET 110 CO 0.70 -0.17 1.06 0.95 -0.65 0.00 0.00 175.02 176.90 3cxt s THR 111 N 0.50 3.74 0.32 10.11 -4.23 -1.26 -4.90 115.64 119.93 3cxt s THR 111 Ca 0.56 0.93 0.01 0.00 -1.18 0.00 0.00 61.69 62.02 3cxt s THR 111 Cb -0.31 -3.39 0.21 0.00 1.34 0.00 0.00 72.50 70.34 3cxt s THR 111 CO 0.33 -0.38 1.92 0.00 -0.54 0.00 0.00 174.62 175.95 3cxt h ALA 112 N 0.89 1.40 -0.64 3.99 0.00 -1.97 -1.57 119.26 121.36 3cxt h ALA 112 Ca -0.48 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3cxt h ALA 112 Cb 1.22 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3cxt h ALA 112 CO 0.58 0.46 0.40 0.00 0.00 0.00 0.00 179.25 180.70 3cxt h ALA 113 N 1.50 0.81 -0.24 0.00 0.00 -1.99 -1.43 119.26 117.91 3cxt h ALA 113 Ca 0.19 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 3cxt h ALA 113 Cb 0.11 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3cxt h ALA 113 CO -0.02 0.27 -0.38 1.96 0.00 0.00 0.00 179.25 181.07 3cxt h GLN 114 N 0.86 0.68 0.11 0.00 1.08 -1.83 -0.30 115.11 115.71 3cxt h GLN 114 Ca 0.23 -0.41 0.02 0.00 -1.45 0.00 0.00 58.65 57.04 3cxt h GLN 114 Cb -0.06 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.37 3cxt h GLN 114 CO -0.05 1.03 -0.34 0.35 -0.95 0.00 0.00 178.83 178.87 3cxt h PHE 115 N 0.39 -0.95 -1.00 2.96 3.04 -1.24 -2.36 116.94 117.79 3cxt h PHE 115 Ca 0.02 0.02 0.11 0.00 3.98 0.00 0.00 57.97 62.11 3cxt h PHE 115 Cb 0.97 0.40 -0.08 0.00 2.56 0.00 0.00 35.95 39.81 3cxt h PHE 115 CO 0.08 -0.45 0.63 0.00 -2.02 0.00 0.00 178.31 176.56 3cxt h ARG 116 N -0.57 0.98 -0.66 1.11 3.08 -1.22 -1.73 114.38 115.37 3cxt h ARG 116 Ca 0.03 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 3cxt h ARG 116 Cb 0.60 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 3cxt h ARG 116 CO -0.21 0.65 0.17 0.37 -1.07 0.00 0.00 179.97 179.88 3cxt h GLN 117 N 1.01 1.05 -0.02 0.04 4.15 -0.67 0.19 115.11 120.87 3cxt h GLN 117 Ca 0.49 -0.25 -0.00 0.00 0.77 0.00 0.00 58.65 59.66 3cxt h GLN 117 Cb 0.45 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.00 3cxt h GLN 117 CO -0.25 0.94 0.01 0.28 -1.93 0.00 0.00 178.83 177.88 3cxt h VAL 118 N 0.98 1.15 -0.55 2.39 2.07 -0.99 -2.39 116.25 118.92 3cxt h VAL 118 Ca 0.21 -0.44 0.11 0.00 0.82 0.00 0.00 66.70 67.40 3cxt h VAL 118 Cb 0.35 1.42 -0.09 0.00 -1.52 0.00 0.00 31.29 31.44 3cxt h VAL 118 CO 0.00 0.12 -0.03 0.40 0.02 0.00 0.00 177.57 178.07 3cxt h ILE 119 N -0.15 0.53 -0.16 4.57 1.08 -1.23 -0.19 117.51 121.96 3cxt h ILE 119 Ca 0.01 -0.03 0.03 0.00 -0.39 0.00 0.00 64.86 64.47 3cxt h ILE 119 Cb 0.18 0.44 -0.03 0.00 -3.07 0.00 0.00 36.82 34.35 3cxt h ILE 119 CO -0.00 0.02 -0.01 -0.78 -0.69 0.00 0.00 178.15 176.69 3cxt h ASP 120 N 0.09 -0.07 -0.05 1.72 3.58 -0.38 -0.47 116.42 120.83 3cxt h ASP 120 Ca 0.28 0.04 -0.23 0.00 0.42 0.00 0.00 57.03 57.53 3cxt h ASP 120 Cb 0.43 0.07 0.02 0.00 1.72 0.00 0.00 39.33 41.56 3cxt h ASP 120 CO -0.49 -0.01 -0.88 0.40 -2.88 0.00 0.00 179.24 175.38 3cxt h ILE 121 N 0.05 1.30 0.00 2.25 2.04 -1.37 0.82 117.51 122.60 3cxt h ILE 121 Ca 0.07 -2.11 0.00 0.00 1.00 0.00 0.00 64.86 63.82 3cxt h ILE 121 Cb 0.09 2.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 3cxt h ILE 121 CO -0.13 0.65 -0.89 0.47 0.00 0.00 0.00 178.15 178.26 3cxt n ASP 122 N -3.95 0.76 0.05 1.72 9.92 -0.09 -4.18 116.55 120.79 3cxt n ASP 122 Ca -0.10 0.18 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 3cxt n ASP 122 Cb 0.80 0.41 0.00 0.00 -0.64 0.00 0.00 41.12 41.69 3cxt n ASP 122 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 3cxt n LEU 123 N -2.38 0.52 -0.32 0.64 7.94 -0.25 -4.72 117.00 118.43 3cxt n LEU 123 Ca 0.01 0.16 -0.04 0.00 -1.11 0.00 0.00 56.01 55.03 3cxt n LEU 123 Cb 0.50 -0.09 0.08 0.00 0.53 0.00 0.00 43.42 44.44 3cxt n LEU 123 CO 0.39 -0.57 1.16 0.78 -1.11 0.00 0.00 177.39 178.04 3cxt h ASN 124 N 0.00 1.08 -0.30 1.96 2.35 -1.22 -3.04 115.58 116.41 3cxt h ASN 124 Ca 0.00 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 3cxt h ASN 124 Cb 0.23 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3cxt h ASN 124 CO 0.00 0.87 0.01 0.00 -1.65 0.00 0.00 177.43 176.65 3cxt h ALA 125 N 1.25 0.40 -0.12 -0.83 0.00 -1.00 -1.45 119.26 117.52 3cxt h ALA 125 Ca 0.30 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3cxt h ALA 125 Cb 0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3cxt h ALA 125 CO -0.05 0.14 0.09 -1.35 0.00 0.00 0.00 179.25 178.08 3cxt h PRO 126 N 0.32 0.00 -0.31 0.00 0.11 -1.75 -0.75 132.00 129.62 3cxt h PRO 126 Ca 0.09 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.14 3cxt h PRO 126 Cb 0.42 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 3cxt h PRO 126 CO 0.01 0.00 -0.01 0.35 -0.21 0.00 0.00 178.00 178.15 3cxt h PHE 127 N 0.00 0.61 -0.17 0.65 3.57 -1.25 -1.80 116.94 118.55 3cxt h PHE 127 Ca 0.06 -0.11 0.03 0.00 3.53 0.00 0.00 57.97 61.48 3cxt h PHE 127 Cb 0.24 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 3cxt h PHE 127 CO 0.00 0.69 -0.02 0.82 -2.23 0.00 0.00 178.31 177.57 3cxt h ILE 128 N 0.35 0.86 -0.41 1.41 2.04 -0.32 0.25 117.51 121.68 3cxt h ILE 128 Ca 0.09 -0.01 -0.10 0.00 1.00 0.00 0.00 64.86 65.84 3cxt h ILE 128 Cb 0.45 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3cxt h ILE 128 CO 0.02 0.01 -0.14 0.58 0.00 0.00 0.00 178.15 178.61 3cxt h VAL 129 N 0.03 1.28 -0.05 1.67 2.07 -1.20 -0.85 116.25 119.20 3cxt h VAL 129 Ca 0.08 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.34 3cxt h VAL 129 Cb 0.11 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3cxt h VAL 129 CO -0.15 0.42 0.03 0.28 0.02 0.00 0.00 177.57 178.17 3cxt h SER 130 N 0.64 0.05 -0.68 0.57 0.02 -1.17 -1.93 113.55 111.06 3cxt h SER 130 Ca 0.10 -0.02 0.14 0.00 -0.84 0.00 0.00 61.79 61.16 3cxt h SER 130 Cb 0.68 -0.01 -0.10 0.00 0.14 0.00 0.00 62.40 63.11 3cxt h SER 130 CO 0.05 0.06 0.17 0.50 -1.14 0.00 0.00 176.83 176.47 3cxt h LYS 131 N 0.05 0.28 -0.15 3.45 3.64 -0.80 -0.77 116.57 122.26 3cxt h LYS 131 Ca 0.02 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 3cxt h LYS 131 Cb 0.01 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3cxt h LYS 131 CO -0.00 0.18 -0.28 0.00 -2.27 0.00 0.00 179.45 177.08 3cxt h ALA 132 N 1.54 1.25 0.00 5.00 0.00 -0.67 -3.25 119.26 123.13 3cxt h ALA 132 Ca 0.37 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3cxt h ALA 132 Cb 0.58 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3cxt h ALA 132 CO -0.45 0.50 -1.40 1.33 0.00 0.00 0.00 179.25 179.23 3cxt n VAL 133 N -4.13 0.71 -0.15 0.00 0.24 -0.77 -4.59 118.33 109.63 3cxt n VAL 133 Ca -0.01 -0.60 -0.08 0.00 -2.04 0.00 0.00 64.34 61.61 3cxt n VAL 133 Cb 0.39 -0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3cxt n VAL 133 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 3cxt h ILE 134 N 0.00 1.18 -0.49 1.34 2.04 -1.18 -2.56 117.51 117.84 3cxt h ILE 134 Ca -0.08 -0.51 0.08 0.00 1.00 0.00 0.00 64.86 65.35 3cxt h ILE 134 Cb 1.24 0.69 -0.07 0.00 -0.74 0.00 0.00 36.82 37.95 3cxt h ILE 134 CO 0.02 0.20 0.10 -0.65 0.00 0.00 0.00 178.15 177.81 3cxt h PRO 135 N 0.58 0.23 -0.19 2.37 0.11 -1.81 -1.11 132.00 132.19 3cxt h PRO 135 Ca 0.15 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.18 3cxt h PRO 135 Cb 0.11 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 3cxt h PRO 135 CO -0.02 0.15 -0.19 0.77 -0.21 0.00 0.00 178.00 178.50 3cxt h SER 136 N 0.24 0.32 -0.32 -2.05 0.02 -1.84 -2.24 113.55 107.68 3cxt h SER 136 Ca 0.24 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3cxt h SER 136 Cb 0.32 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3cxt h SER 136 CO -0.31 0.53 0.15 0.24 -1.14 0.00 0.00 176.83 176.30 3cxt h MET 137 N 0.30 0.46 -0.30 3.45 2.86 -0.85 -0.75 114.93 120.10 3cxt h MET 137 Ca 0.05 -0.07 0.05 0.00 -2.06 0.00 0.00 59.70 57.68 3cxt h MET 137 Cb 0.52 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.05 3cxt h MET 137 CO 0.03 0.42 0.01 0.82 1.06 0.00 0.00 176.91 179.26 3cxt h ILE 138 N 0.38 0.79 -0.46 -1.22 2.04 -1.07 -1.43 117.51 116.54 3cxt h ILE 138 Ca 0.11 -0.03 -0.06 0.00 1.00 0.00 0.00 64.86 65.88 3cxt h ILE 138 Cb 0.12 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 3cxt h ILE 138 CO -0.01 0.02 0.05 0.11 0.00 0.00 0.00 178.15 178.31 3cxt h LYS 139 N 0.10 0.72 0.00 2.37 1.57 -1.29 -1.89 116.57 118.15 3cxt h LYS 139 Ca 0.15 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3cxt h LYS 139 Cb 0.19 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 3cxt h LYS 139 CO -0.24 0.70 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.09 3cxt h LYS 140 N 0.68 0.00 0.00 3.15 1.63 -0.79 -3.47 116.57 117.77 3cxt h LYS 140 Ca 0.14 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 3cxt h LYS 140 Cb 0.36 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 3cxt h LYS 140 CO 0.01 0.04 0.00 0.41 -3.45 0.00 0.00 179.45 176.46 3cxt n GLY 141 N -0.29 0.75 3.64 5.01 0.00 -0.58 -5.04 105.19 108.67 3cxt n GLY 141 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 3cxt n GLY 141 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3cxt s HIS 142 N -2.19 -0.53 0.04 1.61 5.04 -0.94 -4.82 115.29 113.49 3cxt s HIS 142 Ca 0.00 1.20 -0.04 0.00 -1.54 0.00 0.00 55.06 54.68 3cxt s HIS 142 Cb 0.00 0.37 -0.02 0.00 0.04 0.00 0.00 32.58 32.97 3cxt s HIS 142 CO 0.00 -0.26 0.07 0.20 -2.34 0.00 0.00 174.74 172.41 3cxt s GLY 143 N 0.65 0.23 -0.04 1.59 0.00 -0.61 -4.67 107.32 104.47 3cxt s GLY 143 Ca -0.01 -0.69 0.04 0.00 0.00 0.00 0.00 44.72 44.05 3cxt s GLY 143 CO -0.10 -0.82 -0.15 0.54 0.00 0.00 0.00 173.10 172.57 3cxt s LYS 144 N -2.88 1.54 -0.14 2.90 -0.14 -0.39 -1.62 119.74 119.00 3cxt s LYS 144 Ca -0.03 -0.53 -0.00 0.00 -1.36 0.00 0.00 55.97 54.05 3cxt s LYS 144 Cb 0.00 -1.37 0.03 0.00 -1.68 0.00 0.00 37.83 34.82 3cxt s LYS 144 CO -0.06 0.22 -0.07 0.42 -0.76 0.00 0.00 175.35 175.10 3cxt s ILE 145 N 0.04 1.13 -0.27 2.17 1.01 -0.65 -0.58 121.20 124.05 3cxt s ILE 145 Ca -0.03 -0.49 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 3cxt s ILE 145 Cb -0.10 -1.21 -0.01 0.00 0.01 0.00 0.00 42.46 41.15 3cxt s ILE 145 CO 0.01 0.27 0.08 -0.63 0.00 0.00 0.00 174.94 174.67 3cxt s ILE 146 N 1.65 4.15 -0.24 2.92 1.09 0.96 -1.24 121.20 130.48 3cxt s ILE 146 Ca 0.03 -0.42 -0.13 0.00 -1.10 0.00 0.00 60.65 59.03 3cxt s ILE 146 Cb -0.14 -3.04 -0.05 0.00 -1.06 0.00 0.00 42.46 38.18 3cxt s ILE 146 CO -0.08 0.21 0.25 0.20 -0.10 0.00 0.00 174.94 175.42 3cxt s ASN 147 N 1.56 6.21 -0.52 3.58 0.01 0.22 -0.82 114.94 125.19 3cxt s ASN 147 Ca 0.05 0.23 -0.28 0.00 -0.71 0.00 0.00 52.86 52.15 3cxt s ASN 147 Cb -0.16 -2.15 0.01 0.00 0.41 0.00 0.00 41.25 39.36 3cxt s ASN 147 CO 0.03 -0.01 1.42 -0.63 -1.51 0.00 0.00 177.10 176.40 3cxt s ILE 148 N 1.30 3.82 0.00 0.60 -1.09 -0.53 -1.84 121.20 123.45 3cxt s ILE 148 Ca 0.11 0.74 0.00 0.00 -2.23 0.00 0.00 60.65 59.28 3cxt s ILE 148 Cb -0.14 -4.36 0.00 0.00 -1.58 0.00 0.00 42.46 36.38 3cxt s ILE 148 CO 0.07 -1.04 0.00 0.00 -1.23 0.00 0.00 174.94 172.74 3cxt s SER 150 N -1.00 -0.19 0.58 0.00 0.15 -1.26 -4.56 113.70 107.42 3cxt s SER 150 Ca 0.00 -0.15 0.27 0.00 0.70 0.00 0.00 55.95 56.78 3cxt s SER 150 Cb 0.00 0.31 1.73 0.00 -1.71 0.00 0.00 66.02 66.35 3cxt s SER 150 CO 0.00 -0.54 2.24 0.24 1.20 0.00 0.00 173.24 176.38 3cxt h MET 151 N 2.00 0.00 0.00 5.44 2.86 -1.84 -2.02 114.93 121.37 3cxt h MET 151 Ca -0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 3cxt h MET 151 Cb 1.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.87 3cxt h MET 151 CO 0.27 0.00 0.00 -1.33 1.06 0.00 0.00 176.91 176.91 3cxt n MET 152 N -3.96 0.15 0.11 1.72 2.81 -1.26 -1.29 117.12 115.40 3cxt n MET 152 Ca -0.03 0.18 0.11 0.00 -1.81 0.00 0.00 57.70 56.15 3cxt n MET 152 Cb 0.08 -1.50 0.47 0.00 -0.71 0.00 0.00 33.22 31.56 3cxt n MET 152 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3cxt n SER 153 N -1.35 0.57 0.00 7.83 7.64 -0.76 -4.13 113.62 123.41 3cxt n SER 153 Ca 0.06 0.65 0.00 0.00 1.01 0.00 0.00 58.87 60.59 3cxt n SER 153 Cb 0.13 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 3cxt n SER 153 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3cxt n GLU 154 N -2.14 1.57 -4.27 1.43 -0.58 -0.42 -4.51 120.64 111.73 3cxt n GLU 154 Ca 0.02 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.58 3cxt n GLU 154 Cb 0.20 -0.88 -0.14 0.00 -0.57 0.00 0.00 31.44 30.06 3cxt n GLU 154 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3cxt s LEU 155 N -3.88 2.11 0.57 -4.62 1.43 -0.46 -5.17 118.68 108.67 3cxt s LEU 155 Ca 0.00 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 3cxt s LEU 155 Cb 0.00 -0.42 0.05 0.00 0.03 0.00 0.00 46.19 45.85 3cxt s LEU 155 CO 0.00 0.02 0.80 -0.83 0.23 0.00 0.00 176.35 176.57 3cxt s GLY 156 N -0.77 1.82 -0.12 -3.19 0.00 -1.26 -4.06 107.32 99.75 3cxt s GLY 156 Ca -0.00 -1.47 -0.30 0.00 0.00 0.00 0.00 44.72 42.96 3cxt s GLY 156 CO 0.00 -1.13 0.77 -1.60 0.00 0.00 0.00 173.10 171.14 3cxt s ARG 157 N -4.80 0.90 0.34 2.90 3.52 -1.26 -5.07 118.95 115.48 3cxt s ARG 157 Ca 0.59 0.37 -0.25 0.00 -0.13 0.00 0.00 55.73 56.30 3cxt s ARG 157 Cb -0.09 0.43 -0.14 0.00 -1.56 0.00 0.00 34.95 33.59 3cxt s ARG 157 CO 0.39 -0.25 0.74 0.39 -0.81 0.00 0.00 175.30 175.76 3cxt n GLU 158 N 1.21 0.80 0.00 5.12 4.71 -1.26 -2.83 120.64 128.39 3cxt n GLU 158 Ca -0.16 0.29 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 3cxt n GLU 158 Cb 0.57 -1.58 0.00 0.00 -1.01 0.00 0.00 31.44 29.42 3cxt n GLU 158 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3cxt n THR 159 N -0.31 0.00 -1.52 2.62 -2.24 -1.26 -4.83 114.28 106.73 3cxt n THR 159 Ca 0.12 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.82 3cxt n THR 159 Cb 0.34 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.75 3cxt n THR 159 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3cxt n VAL 160 N -2.00 2.59 -0.09 2.28 0.24 -1.13 -0.20 118.33 120.02 3cxt n VAL 160 Ca 0.00 -2.95 -0.09 0.00 -2.04 0.00 0.00 64.34 59.25 3cxt n VAL 160 Cb 0.00 -0.44 -0.03 0.00 -1.47 0.00 0.00 33.84 31.90 3cxt n VAL 160 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3cxt h SER 161 N 1.16 -1.18 -0.34 -1.34 4.64 -1.84 0.61 113.55 115.27 3cxt h SER 161 Ca 0.25 0.19 0.02 0.00 -0.47 0.00 0.00 61.79 61.78 3cxt h SER 161 Cb 1.58 0.53 -0.03 0.00 -0.31 0.00 0.00 62.40 64.16 3cxt h SER 161 CO 0.47 -0.35 0.17 0.00 -0.87 0.00 0.00 176.83 176.24 3cxt h ALA 162 N 0.54 0.41 0.02 5.18 0.00 -1.91 -1.33 119.26 122.16 3cxt h ALA 162 Ca 0.14 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3cxt h ALA 162 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3cxt h ALA 162 CO -0.50 -0.21 -0.01 -0.92 0.00 0.00 0.00 179.25 177.61 3cxt h TYR 163 N 0.34 -0.02 -0.70 0.00 3.20 -1.78 -1.09 116.97 116.93 3cxt h TYR 163 Ca 0.14 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.03 3cxt h TYR 163 Cb 0.06 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 3cxt h TYR 163 CO -0.10 0.03 0.45 0.00 -1.64 0.00 0.00 178.16 176.90 3cxt h ALA 164 N 0.91 0.90 -0.08 1.82 0.00 -0.84 -0.47 119.26 121.50 3cxt h ALA 164 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3cxt h ALA 164 Cb 0.06 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3cxt h ALA 164 CO 0.00 0.26 0.05 0.00 0.00 0.00 0.00 179.25 179.56 3cxt h ALA 165 N 1.28 0.10 -0.63 0.00 0.00 -1.13 0.15 119.26 119.03 3cxt h ALA 165 Ca 0.27 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.21 3cxt h ALA 165 Cb -0.05 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 3cxt h ALA 165 CO -0.08 -0.37 0.31 0.00 0.00 0.00 0.00 179.25 179.11 3cxt h ALA 166 N 0.97 0.84 -0.04 0.00 0.00 -0.95 -0.82 119.26 119.25 3cxt h ALA 166 Ca 0.03 0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 3cxt h ALA 166 Cb 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3cxt h ALA 166 CO -0.00 -0.06 -0.78 0.87 0.00 0.00 0.00 179.25 179.27 3cxt h LYS 167 N 0.56 0.30 -0.27 0.00 1.79 -0.88 0.16 116.57 118.23 3cxt h LYS 167 Ca 0.30 -0.28 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3cxt h LYS 167 Cb 0.27 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 3cxt h LYS 167 CO -0.23 0.95 0.15 0.78 -1.08 0.00 0.00 179.45 180.02 3cxt h GLY 168 N 1.50 0.41 0.83 3.86 0.00 -0.63 -0.95 103.07 108.09 3cxt h GLY 168 Ca -0.04 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.15 3cxt h GLY 168 CO 0.13 0.18 0.59 -1.33 0.00 0.00 0.00 176.54 176.10 3cxt h GLY 169 N 0.33 1.35 1.35 4.60 0.00 -0.93 -2.63 103.07 107.14 3cxt h GLY 169 Ca 0.10 -0.44 -0.12 0.00 0.00 0.00 0.00 47.33 46.86 3cxt h GLY 169 CO -0.02 0.36 -0.29 -2.00 0.00 0.00 0.00 176.54 174.60 3cxt h LEU 170 N 1.12 0.76 -0.26 3.11 5.85 -0.49 0.25 115.31 125.64 3cxt h LEU 170 Ca 0.37 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.85 3cxt h LEU 170 Cb 0.05 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 3cxt h LEU 170 CO -0.13 1.00 -0.07 0.50 -0.34 0.00 0.00 178.44 179.39 3cxt h LYS 171 N 0.63 -0.01 -0.04 1.25 3.64 -1.02 -0.63 116.57 120.38 3cxt h LYS 171 Ca 0.08 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.31 3cxt h LYS 171 Cb 0.80 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 3cxt h LYS 171 CO 0.07 -0.01 -0.62 0.52 -2.27 0.00 0.00 179.45 177.13 3cxt h MET 172 N -0.01 0.17 -0.82 1.90 2.86 -1.01 -2.50 114.93 115.51 3cxt h MET 172 Ca 0.13 -0.12 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 3cxt h MET 172 Cb 0.21 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.84 3cxt h MET 172 CO -0.28 0.74 0.52 1.25 1.06 0.00 0.00 176.91 180.20 3cxt h LEU 173 N 0.12 0.86 -0.01 1.22 5.85 -0.24 0.18 115.31 123.30 3cxt h LEU 173 Ca -0.01 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3cxt h LEU 173 Cb 1.13 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 3cxt h LEU 173 CO 0.09 0.59 -0.13 0.74 -0.34 0.00 0.00 178.44 179.39 3cxt h THR 174 N 1.01 0.68 -0.63 1.05 2.02 -0.88 0.13 112.91 116.29 3cxt h THR 174 Ca 0.33 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.46 3cxt h THR 174 Cb 0.02 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 3cxt h THR 174 CO -0.12 0.00 0.20 0.11 0.37 0.00 0.00 175.52 176.08 3cxt h LYS 175 N -0.21 0.95 -0.12 6.66 1.57 -1.01 -1.86 116.57 122.56 3cxt h LYS 175 Ca 0.05 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3cxt h LYS 175 Cb 0.28 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3cxt h LYS 175 CO -0.13 0.81 0.05 -0.97 -0.57 0.00 0.00 179.45 178.64 3cxt h ASN 176 N 0.92 0.16 -0.59 0.86 -1.24 -0.40 -1.81 115.58 113.49 3cxt h ASN 176 Ca 0.21 -0.15 0.04 0.00 0.71 0.00 0.00 56.30 57.11 3cxt h ASN 176 Cb 0.25 -0.04 -0.04 0.00 0.73 0.00 0.00 38.32 39.22 3cxt h ASN 176 CO -0.01 0.27 0.33 0.40 -1.29 0.00 0.00 177.43 177.13 3cxt h ILE 177 N 0.04 1.00 -0.37 2.57 2.04 -0.82 0.77 117.51 122.75 3cxt h ILE 177 Ca 0.04 -0.22 0.08 0.00 1.00 0.00 0.00 64.86 65.76 3cxt h ILE 177 Cb 0.16 0.31 -0.07 0.00 -0.74 0.00 0.00 36.82 36.48 3cxt h ILE 177 CO -0.00 0.12 -0.11 0.00 0.00 0.00 0.00 178.15 178.15 3cxt h ALA 178 N 1.29 0.21 -0.53 1.87 0.00 -1.35 0.27 119.26 121.02 3cxt h ALA 178 Ca 0.25 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 3cxt h ALA 178 Cb 0.11 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3cxt h ALA 178 CO -0.14 -0.48 0.16 0.77 0.00 0.00 0.00 179.25 179.56 3cxt h SER 179 N -0.03 0.78 0.66 0.00 0.02 -0.73 0.74 113.55 114.99 3cxt h SER 179 Ca 0.18 -0.21 -0.27 0.00 -0.84 0.00 0.00 61.79 60.65 3cxt h SER 179 Cb 0.31 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 3cxt h SER 179 CO -0.40 0.78 -1.39 -0.08 -1.14 0.00 0.00 176.83 174.61 3cxt h GLU 180 N 0.74 0.09 -0.00 3.45 4.81 -0.60 -3.39 114.58 119.67 3cxt h GLU 180 Ca 0.17 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3cxt h GLU 180 Cb 0.28 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.72 3cxt h GLU 180 CO -0.00 0.90 -0.01 0.66 -0.73 0.00 0.00 179.01 179.83 3cxt n TYR 181 N -3.30 0.00 -0.15 0.92 4.02 0.94 -4.66 117.16 114.93 3cxt n TYR 181 Ca -0.11 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.89 3cxt n TYR 181 Cb 1.01 0.00 0.44 0.00 -0.02 0.00 0.00 39.34 40.77 3cxt n TYR 181 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3cxt h GLY 182 N 0.76 0.80 2.00 2.72 0.00 -0.92 -1.01 103.07 107.42 3cxt h GLY 182 Ca 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 3cxt h GLY 182 CO 0.00 0.13 -0.29 -2.09 0.00 0.00 0.00 176.54 174.29 3cxt h GLU 183 N 0.55 0.00 -0.51 4.80 4.81 -1.83 -2.24 114.58 120.17 3cxt h GLU 183 Ca 0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3cxt h GLU 183 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 3cxt h GLU 183 CO -0.11 0.29 0.00 0.00 -0.73 0.00 0.00 179.01 178.46 3cxt n ALA 184 N -2.33 2.65 -3.12 2.92 0.00 -0.40 -4.88 120.51 115.34 3cxt n ALA 184 Ca -0.01 -0.43 -0.18 0.00 0.00 0.00 0.00 53.44 52.82 3cxt n ALA 184 Cb 0.40 -1.01 0.05 0.00 0.00 0.00 0.00 19.45 18.89 3cxt n ALA 184 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3cxt n ASN 185 N 0.12 -5.32 -4.63 0.00 5.15 -0.84 -4.56 115.26 105.18 3cxt n ASN 185 Ca 0.07 -0.33 -0.36 0.00 -0.60 0.00 0.00 54.58 53.36 3cxt n ASN 185 Cb 0.32 -4.04 -0.10 0.00 -0.53 0.00 0.00 39.78 35.44 3cxt n ASN 185 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3cxt s ILE 186 N -3.15 5.16 -0.34 -1.44 1.01 -1.07 -1.57 121.20 119.79 3cxt s ILE 186 Ca 0.36 0.11 -0.12 0.00 0.00 0.00 0.00 60.65 61.00 3cxt s ILE 186 Cb -0.16 -3.39 -0.00 0.00 0.01 0.00 0.00 42.46 38.92 3cxt s ILE 186 CO 0.44 0.36 0.21 -1.10 0.00 0.00 0.00 174.94 174.86 3cxt s GLN 187 N 1.01 3.28 -0.22 2.79 1.11 -0.64 -3.69 119.66 123.31 3cxt s GLN 187 Ca 0.07 -0.78 -0.05 0.00 0.01 0.00 0.00 55.36 54.61 3cxt s GLN 187 Cb -0.14 -3.74 -0.01 0.00 -1.01 0.00 0.00 33.01 28.11 3cxt s GLN 187 CO 0.04 -0.51 -0.02 0.00 0.01 0.00 0.00 175.29 174.81 3cxt s ASN 189 N 1.39 1.14 0.10 0.00 0.01 -0.38 -1.20 114.94 116.00 3cxt s ASN 189 Ca 0.05 -1.44 0.08 0.00 -0.71 0.00 0.00 52.86 50.84 3cxt s ASN 189 Cb -0.14 0.27 -0.04 0.00 0.41 0.00 0.00 41.25 41.74 3cxt s ASN 189 CO -0.01 -0.80 -0.18 -0.83 -1.51 0.00 0.00 177.10 173.78 3cxt s GLY 190 N -3.31 1.67 -0.22 0.66 0.00 0.78 -0.61 107.32 106.29 3cxt s GLY 190 Ca 0.37 -1.31 -0.06 0.00 0.00 0.00 0.00 44.72 43.73 3cxt s GLY 190 CO 0.15 -1.26 0.01 -0.42 0.00 0.00 0.00 173.10 171.58 3cxt s ILE 191 N -1.09 3.96 -0.55 0.90 -1.09 -0.77 -0.23 121.20 122.32 3cxt s ILE 191 Ca 0.17 -0.30 -0.03 0.00 -2.23 0.00 0.00 60.65 58.26 3cxt s ILE 191 Cb -0.11 -2.81 0.14 0.00 -1.58 0.00 0.00 42.46 38.10 3cxt s ILE 191 CO 0.09 0.40 0.36 -0.83 -1.23 0.00 0.00 174.94 173.73 3cxt s GLY 192 N 1.29 2.33 0.41 6.18 0.00 0.32 -0.37 107.32 117.47 3cxt s GLY 192 Ca 0.04 -3.01 -0.26 0.00 0.00 0.00 0.00 44.72 41.49 3cxt s GLY 192 CO 0.01 1.08 1.33 -4.14 0.00 0.00 0.00 173.10 171.38 3cxt s PRO 193 N 0.37 3.92 0.00 2.90 0.02 -1.26 -1.11 135.00 139.84 3cxt s PRO 193 Ca 0.14 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.38 3cxt s PRO 193 Cb -0.21 -2.74 0.00 0.00 0.02 0.00 0.00 34.50 31.56 3cxt s PRO 193 CO -0.04 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.49 3cxt n GLY 194 N 0.64 0.57 3.57 0.52 0.00 -0.12 -3.27 105.19 107.10 3cxt n GLY 194 Ca 0.04 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 3cxt n GLY 194 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cxt s TYR 195 N 0.00 3.01 -0.20 1.61 2.02 -1.26 -4.81 117.35 117.72 3cxt s TYR 195 Ca 0.00 0.44 -0.04 0.00 -0.37 0.00 0.00 57.07 57.10 3cxt s TYR 195 Cb 0.00 -3.70 -0.02 0.00 -0.40 0.00 0.00 41.96 37.85 3cxt s TYR 195 CO 0.00 -0.93 -0.03 0.42 -1.57 0.00 0.00 175.55 173.43 3cxt s ILE 196 N 3.43 3.64 -0.43 2.71 -1.09 -1.26 -0.07 121.20 128.12 3cxt s ILE 196 Ca 0.34 -0.42 -0.28 0.00 -2.23 0.00 0.00 60.65 58.07 3cxt s ILE 196 Cb -0.12 -2.64 -0.03 0.00 -1.58 0.00 0.00 42.46 38.10 3cxt s ILE 196 CO 0.22 0.44 1.89 0.00 -1.23 0.00 0.00 174.94 176.26 3cxt s ALA 197 N 1.07 2.52 0.18 9.38 0.00 0.13 -4.95 121.76 130.09 3cxt s ALA 197 Ca 0.01 -0.04 0.04 0.00 0.00 0.00 0.00 51.96 51.97 3cxt s ALA 197 Cb -0.15 -4.14 -0.03 0.00 0.00 0.00 0.00 23.12 18.80 3cxt s ALA 197 CO 0.01 -3.22 0.28 0.95 0.00 0.00 0.00 175.76 173.78 3cxt s THR 198 N 8.15 5.16 0.21 0.00 -4.23 -1.26 -4.66 115.64 119.00 3cxt s THR 198 Ca 0.78 -0.86 -0.16 0.00 -1.18 0.00 0.00 61.69 60.28 3cxt s THR 198 Cb -0.19 -3.70 0.22 0.00 1.34 0.00 0.00 72.50 70.17 3cxt s THR 198 CO 0.29 -0.17 1.60 -0.65 -0.54 0.00 0.00 174.62 175.15 3cxt h PRO 199 N 1.87 -0.06 -2.02 3.99 0.11 -2.04 -2.98 132.00 130.87 3cxt h PRO 199 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3cxt h PRO 199 Cb 1.21 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3cxt h PRO 199 CO 0.65 -0.04 -0.00 1.04 -0.21 0.00 0.00 178.00 179.44 3cxt n GLN 200 N -5.46 0.67 -1.37 1.05 3.00 -1.26 -5.30 117.38 108.72 3cxt n GLN 200 Ca 0.07 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 3cxt n GLN 200 Cb 0.36 -1.21 0.00 0.00 0.00 0.00 0.00 30.24 29.39 3cxt n GLN 200 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 3cxt n THR 201 N 1.73 0.00 0.00 5.09 -1.04 -1.13 -5.22 114.28 113.71 3cxt n THR 201 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 3cxt n THR 201 Cb 0.33 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.84 3cxt n THR 201 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 3cxt n HIS 214 N 0.00 0.00 -0.02 -1.42 -0.00 -1.26 -4.86 115.22 107.66 3cxt n HIS 214 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.81 3cxt n HIS 214 Cb 0.00 0.00 0.50 0.00 -0.00 0.00 0.00 29.99 30.49 3cxt n HIS 214 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3cxt h PRO 215 N 0.00 0.39 -0.44 1.57 0.11 -2.05 -0.91 132.00 130.67 3cxt h PRO 215 Ca 0.00 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.96 3cxt h PRO 215 Cb 0.00 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 3cxt h PRO 215 CO 0.00 0.26 -0.23 0.35 -0.21 0.00 0.00 178.00 178.17 3cxt h PHE 216 N 0.40 1.03 -0.15 0.65 3.57 -2.05 -0.45 116.94 119.95 3cxt h PHE 216 Ca 0.21 -0.25 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 3cxt h PHE 216 Cb 0.30 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 3cxt h PHE 216 CO -0.00 1.04 0.08 0.22 -2.23 0.00 0.00 178.31 177.42 3cxt h ASP 217 N 0.78 0.18 -0.82 0.41 3.58 -1.88 -2.01 116.42 116.66 3cxt h ASP 217 Ca 0.10 -0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.50 3cxt h ASP 217 Cb 0.79 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.75 3cxt h ASP 217 CO 0.07 0.20 0.54 1.56 -2.88 0.00 0.00 179.24 178.72 3cxt h GLN 218 N 0.15 1.05 -0.28 0.28 4.20 -1.08 -1.54 115.11 117.88 3cxt h GLN 218 Ca 0.05 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.74 3cxt h GLN 218 Cb 0.05 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 27.56 3cxt h GLN 218 CO -0.01 0.69 0.05 0.35 -0.67 0.00 0.00 178.83 179.24 3cxt h PHE 219 N 1.08 0.08 -0.09 2.96 3.57 -0.92 -0.28 116.94 123.33 3cxt h PHE 219 Ca 0.31 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.78 3cxt h PHE 219 Cb -0.08 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 3cxt h PHE 219 CO -0.02 0.01 -0.11 0.82 -2.23 0.00 0.00 178.31 176.78 3cxt h ILE 220 N 0.15 1.37 -0.62 1.41 1.08 -1.19 -2.24 117.51 117.46 3cxt h ILE 220 Ca 0.13 -1.29 0.06 0.00 -0.39 0.00 0.00 64.86 63.37 3cxt h ILE 220 Cb 0.14 2.01 -0.05 0.00 -3.07 0.00 0.00 36.82 35.85 3cxt h ILE 220 CO -0.18 0.36 0.32 0.40 -0.69 0.00 0.00 178.15 178.36 3cxt h ILE 221 N -0.18 0.94 -0.29 -0.67 2.04 -1.23 -2.50 117.51 115.61 3cxt h ILE 221 Ca 0.01 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 3cxt h ILE 221 Cb 0.63 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3cxt h ILE 221 CO 0.03 0.11 0.18 0.00 0.00 0.00 0.00 178.15 178.46 3cxt h ALA 222 N 1.34 0.38 0.00 1.87 0.00 -0.99 -3.02 119.26 118.83 3cxt h ALA 222 Ca 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3cxt h ALA 222 Cb 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3cxt h ALA 222 CO -0.19 -0.12 0.00 0.87 0.00 0.00 0.00 179.25 179.80 3cxt h LYS 223 N 0.38 0.00 -4.75 0.00 1.57 -1.15 -3.12 116.57 109.49 3cxt h LYS 223 Ca 0.11 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.20 3cxt h LYS 223 Cb 0.01 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 32.04 3cxt h LYS 223 CO -0.02 0.00 -0.63 0.99 -0.57 0.00 0.00 179.45 179.22 3cxt s THR 224 N -4.00 3.69 0.28 -0.16 2.01 -0.96 -4.41 115.64 112.09 3cxt s THR 224 Ca -0.04 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.01 3cxt s THR 224 Cb 0.12 -3.00 0.28 0.00 0.01 0.00 0.00 72.50 69.90 3cxt s THR 224 CO 0.40 -0.04 1.71 -0.65 -0.69 0.00 0.00 174.62 175.35 3cxt h PRO 225 N 8.19 0.42 0.00 4.92 0.11 -1.81 0.34 132.00 144.17 3cxt h PRO 225 Ca -0.27 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 3cxt h PRO 225 Cb 1.10 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 3cxt h PRO 225 CO 0.59 0.28 -0.00 0.00 -0.21 0.00 0.00 178.00 178.66 3cxt h ALA 226 N 1.68 1.11 -5.25 -0.75 0.00 -1.70 -3.46 119.26 110.89 3cxt h ALA 226 Ca 0.53 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 55.09 3cxt h ALA 226 Cb 0.97 -0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.88 3cxt h ALA 226 CO -0.50 0.00 -0.60 0.00 0.00 0.00 0.00 179.25 178.16 3cxt n ALA 227 N -2.13 -1.15 -3.28 0.00 0.00 0.12 -5.01 120.51 109.06 3cxt n ALA 227 Ca -0.03 0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.64 3cxt n ALA 227 Cb 0.08 -4.90 -0.04 0.00 0.00 0.00 0.00 19.45 14.59 3cxt n ALA 227 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3cxt s ARG 228 N -6.15 1.13 0.55 0.00 1.70 -1.26 -4.95 118.95 109.98 3cxt s ARG 228 Ca 0.51 -0.41 -0.21 0.00 -0.47 0.00 0.00 55.73 55.15 3cxt s ARG 228 Cb -0.23 0.52 -0.05 0.00 -0.57 0.00 0.00 34.95 34.62 3cxt s ARG 228 CO 0.64 -0.45 1.29 -1.58 -1.08 0.00 0.00 175.30 174.12 3cxt s TRP 229 N -3.18 2.39 0.80 5.89 0.52 -1.26 -4.86 118.94 119.23 3cxt s TRP 229 Ca -0.01 1.44 -0.11 0.00 0.02 0.00 0.00 56.10 57.44 3cxt s TRP 229 Cb -0.00 -3.65 0.07 0.00 -1.15 0.00 0.00 33.47 28.74 3cxt s TRP 229 CO -0.08 -2.52 1.09 0.20 0.02 0.00 0.00 176.95 175.67 3cxt s GLY 230 N -1.20 1.63 0.19 0.98 0.00 0.89 -4.87 107.32 104.93 3cxt s GLY 230 Ca 0.73 -0.17 0.05 0.00 0.00 0.00 0.00 44.72 45.33 3cxt s GLY 230 CO 0.41 0.26 -0.09 -1.83 0.00 0.00 0.00 173.10 171.85 3cxt s GLU 231 N -5.12 1.22 0.53 2.90 -1.05 -1.26 -0.69 118.70 115.22 3cxt s GLU 231 Ca 0.61 -1.55 0.20 0.00 -0.15 0.00 0.00 54.97 54.08 3cxt s GLU 231 Cb -0.15 -0.79 1.38 0.00 -0.44 0.00 0.00 34.13 34.13 3cxt s GLU 231 CO 0.55 0.07 2.12 0.00 0.95 0.00 0.00 175.26 178.95 3cxt h ALA 232 N 2.63 2.07 -0.25 -0.84 0.00 -1.95 -0.71 119.26 120.20 3cxt h ALA 232 Ca -0.37 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.54 3cxt h ALA 232 Cb 1.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3cxt h ALA 232 CO 0.64 -0.18 0.17 0.93 0.00 0.00 0.00 179.25 180.80 3cxt h GLU 233 N 0.00 0.29 0.00 0.00 3.07 -1.96 -1.40 114.58 114.58 3cxt h GLU 233 Ca 0.07 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3cxt h GLU 233 Cb 0.29 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 3cxt h GLU 233 CO -0.00 0.19 -0.01 -0.44 -1.40 0.00 0.00 179.01 177.35 3cxt h ASP 234 N 0.29 0.00 1.02 1.42 3.32 -1.53 -2.75 116.42 118.20 3cxt h ASP 234 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3cxt h ASP 234 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3cxt h ASP 234 CO -0.02 0.01 -0.62 -0.07 -1.72 0.00 0.00 179.24 176.82 3cxt h LEU 235 N 0.00 0.00 0.54 1.55 3.38 -1.35 -3.41 115.31 116.02 3cxt h LEU 235 Ca -0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3cxt h LEU 235 Cb 0.20 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.95 3cxt h LEU 235 CO 0.00 0.07 -0.26 0.24 0.09 0.00 0.00 178.44 178.58 3cxt h MET 236 N 0.00 -0.69 -0.13 1.13 2.86 -1.54 -0.73 114.93 115.83 3cxt h MET 236 Ca 0.00 0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.73 3cxt h MET 236 Cb 0.82 0.16 -0.06 0.00 0.06 0.00 0.00 31.60 32.58 3cxt h MET 236 CO 0.00 -0.39 -0.34 0.78 1.06 0.00 0.00 176.91 178.02 3cxt h GLY 237 N -0.96 -0.49 0.61 8.32 0.00 -1.78 -0.34 103.07 108.43 3cxt h GLY 237 Ca -0.07 0.42 0.07 0.00 0.00 0.00 0.00 47.33 47.75 3cxt h GLY 237 CO 0.12 -0.22 0.38 -2.55 0.00 0.00 0.00 176.54 174.27 3cxt h PRO 238 N -0.41 0.66 -0.68 4.80 0.11 -1.77 -0.38 132.00 134.32 3cxt h PRO 238 Ca 0.09 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.09 3cxt h PRO 238 Cb 0.56 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.50 3cxt h PRO 238 CO -0.36 0.43 0.13 0.00 -0.21 0.00 0.00 178.00 177.99 3cxt h ALA 239 N 1.38 0.95 -0.15 -0.75 0.00 -0.77 -1.99 119.26 117.93 3cxt h ALA 239 Ca 0.32 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3cxt h ALA 239 Cb 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3cxt h ALA 239 CO -0.21 0.66 -0.01 0.28 0.00 0.00 0.00 179.25 179.97 3cxt h VAL 240 N 1.03 1.26 -0.45 0.00 2.07 -0.87 -2.05 116.25 117.25 3cxt h VAL 240 Ca 0.21 -0.87 0.09 0.00 0.82 0.00 0.00 66.70 66.95 3cxt h VAL 240 Cb 0.41 1.54 -0.10 0.00 -1.52 0.00 0.00 31.29 31.63 3cxt h VAL 240 CO 0.01 0.26 -0.24 0.15 0.02 0.00 0.00 177.57 177.77 3cxt h PHE 241 N 0.00 -0.62 0.00 1.57 3.57 -0.93 -1.98 116.94 118.56 3cxt h PHE 241 Ca 0.04 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 3cxt h PHE 241 Cb 0.39 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 3cxt h PHE 241 CO 0.04 -0.32 -0.23 -0.07 -2.23 0.00 0.00 178.31 175.50 3cxt h LEU 242 N -0.15 0.00 -0.08 0.59 3.38 -1.25 -2.44 115.31 115.36 3cxt h LEU 242 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3cxt h LEU 242 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3cxt h LEU 242 CO -0.54 0.23 -0.08 0.00 0.09 0.00 0.00 178.44 178.14 3cxt n ALA 243 N -2.36 2.64 -2.27 1.53 0.00 -0.78 -4.89 120.51 114.37 3cxt n ALA 243 Ca -0.02 -0.19 -0.22 0.00 0.00 0.00 0.00 53.44 53.01 3cxt n ALA 243 Cb 0.32 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 3cxt n ALA 243 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3cxt s SER 244 N -2.65 4.89 0.60 0.00 1.04 -0.88 -4.93 113.70 111.77 3cxt s SER 244 Ca 0.25 -0.86 0.37 0.00 0.48 0.00 0.00 55.95 56.19 3cxt s SER 244 Cb 0.20 -0.44 1.87 0.00 0.10 0.00 0.00 66.02 67.75 3cxt s SER 244 CO 0.50 -0.69 2.18 0.44 0.98 0.00 0.00 173.24 176.65 3cxt h ASP 245 N 1.06 0.00 0.32 7.02 3.32 -1.70 -2.75 116.42 123.69 3cxt h ASP 245 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 3cxt h ASP 245 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3cxt h ASP 245 CO 0.59 0.02 0.00 0.00 -1.72 0.00 0.00 179.24 178.14 3cxt n ALA 246 N -2.13 1.32 -1.32 3.45 0.00 -0.65 -2.38 120.51 118.80 3cxt n ALA 246 Ca -0.02 0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.64 3cxt n ALA 246 Cb 0.18 -1.33 0.17 0.00 0.00 0.00 0.00 19.45 18.48 3cxt n ALA 246 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3cxt n SER 247 N -2.18 2.06 0.29 0.00 3.41 -1.04 -4.85 113.62 111.30 3cxt n SER 247 Ca 0.00 -3.48 0.14 0.00 -0.26 0.00 0.00 58.87 55.27 3cxt n SER 247 Cb 0.12 -0.48 0.89 0.00 -0.26 0.00 0.00 64.21 64.47 3cxt n SER 247 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3cxt h ASN 248 N 0.49 0.00 -0.66 4.04 2.35 -1.61 0.46 115.58 120.64 3cxt h ASN 248 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3cxt h ASN 248 Cb 1.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.38 3cxt h ASN 248 CO 0.00 0.00 0.00 0.33 -1.65 0.00 0.00 177.43 176.11 3cxt n PHE 249 N -3.92 1.34 -3.59 1.19 7.35 -1.26 -4.83 117.46 113.74 3cxt n PHE 249 Ca -0.03 -0.59 -0.38 0.00 -0.76 0.00 0.00 57.45 55.70 3cxt n PHE 249 Cb 0.09 -0.18 -0.11 0.00 0.35 0.00 0.00 39.48 39.63 3cxt n PHE 249 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3cxt s VAL 250 N -1.63 5.31 -0.20 -2.13 1.01 0.15 -5.06 120.40 117.84 3cxt s VAL 250 Ca 0.50 0.18 -0.15 0.00 0.00 0.00 0.00 61.98 62.51 3cxt s VAL 250 Cb 0.31 -3.53 0.06 0.00 0.00 0.00 0.00 36.38 33.21 3cxt s VAL 250 CO 0.27 0.25 0.52 0.21 0.00 0.00 0.00 175.10 176.35 3cxt s ASN 251 N 1.70 -0.60 -1.08 3.32 3.84 -1.26 -4.72 114.94 116.14 3cxt s ASN 251 Ca 0.07 1.08 0.00 0.00 0.21 0.00 0.00 52.86 54.22 3cxt s ASN 251 Cb -0.16 1.03 0.00 0.00 -0.55 0.00 0.00 41.25 41.58 3cxt s ASN 251 CO 0.10 -0.19 0.00 0.61 -2.79 0.00 0.00 177.10 174.83 3cxt n GLY 252 N 3.47 0.25 3.51 1.21 0.00 -0.34 -5.00 105.19 108.29 3cxt n GLY 252 Ca -0.17 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 3cxt n GLY 252 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3cxt s HIS 253 N -2.55 2.86 -0.42 1.61 5.04 -1.26 -4.61 115.29 115.96 3cxt s HIS 253 Ca 0.00 -0.17 -0.13 0.00 -1.54 0.00 0.00 55.06 53.22 3cxt s HIS 253 Cb 0.00 -1.73 0.05 0.00 0.04 0.00 0.00 32.58 30.94 3cxt s HIS 253 CO 0.00 0.17 0.30 0.42 -2.34 0.00 0.00 174.74 173.29 3cxt s ILE 254 N -0.48 4.86 -0.62 0.89 -1.09 -1.26 -0.15 121.20 123.34 3cxt s ILE 254 Ca 0.07 -1.00 -0.26 0.00 -2.23 0.00 0.00 60.65 57.23 3cxt s ILE 254 Cb -0.12 -3.83 0.04 0.00 -1.58 0.00 0.00 42.46 36.97 3cxt s ILE 254 CO 0.02 -0.42 1.12 -0.22 -1.23 0.00 0.00 174.94 174.20 3cxt s LEU 255 N 1.58 3.67 0.07 2.97 2.96 0.68 -4.90 118.68 125.71 3cxt s LEU 255 Ca 0.03 -0.31 -0.29 0.00 -0.22 0.00 0.00 54.13 53.35 3cxt s LEU 255 Cb -0.22 -2.82 -0.05 0.00 0.50 0.00 0.00 46.19 43.60 3cxt s LEU 255 CO 0.06 -1.50 0.92 -0.31 -1.32 0.00 0.00 176.35 174.20 3cxt s TYR 256 N 4.78 3.76 -0.56 5.38 1.51 -1.26 -0.52 117.35 130.44 3cxt s TYR 256 Ca 0.35 1.71 0.04 0.00 -1.01 0.00 0.00 57.07 58.15 3cxt s TYR 256 Cb -0.10 -3.02 0.16 0.00 -0.11 0.00 0.00 41.96 38.89 3cxt s TYR 256 CO 0.19 0.18 0.38 0.08 -1.11 0.00 0.00 175.55 175.27 3cxt s VAL 257 N 0.19 1.90 -0.00 0.71 1.01 -0.27 -4.90 120.40 119.05 3cxt s VAL 257 Ca 0.46 -3.42 0.00 0.00 0.00 0.00 0.00 61.98 59.02 3cxt s VAL 257 Cb -0.22 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.88 3cxt s VAL 257 CO 0.28 -1.02 0.59 -0.90 0.00 0.00 0.00 175.10 174.05 3cxt n ASP 258 N 2.62 0.15 -1.22 3.32 5.68 -1.26 -0.95 116.55 124.90 3cxt n ASP 258 Ca 0.19 -1.19 -0.16 0.00 -0.50 0.00 0.00 54.79 53.12 3cxt n ASP 258 Cb 0.38 -0.03 -0.07 0.00 -1.14 0.00 0.00 41.12 40.26 3cxt n ASP 258 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3cxt n GLY 259 N -0.04 1.52 0.00 6.12 0.00 -1.26 -2.55 105.19 108.98 3cxt n GLY 259 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3cxt n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cxt n GLY 260 N -0.20 0.67 0.37 -0.02 0.00 -1.26 -1.75 105.19 103.00 3cxt n GLY 260 Ca -0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 3cxt n GLY 260 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3cxt h ILE 261 N 0.00 0.21 0.00 -0.61 2.04 -1.70 -2.21 117.51 115.24 3cxt h ILE 261 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3cxt h ILE 261 Cb 0.00 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 3cxt h ILE 261 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 178.15 178.08 3cxt h LEU 262 N -0.47 0.00 -0.14 1.44 3.38 -1.90 -1.56 115.31 116.06 3cxt h LEU 262 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3cxt h LEU 262 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3cxt h LEU 262 CO -0.35 0.00 -0.54 0.00 0.09 0.00 0.00 178.44 177.64 3cxt n ALA 263 N -1.99 3.68 -3.08 1.53 0.00 -0.85 -4.95 120.51 114.83 3cxt n ALA 263 Ca -0.02 -0.42 -0.33 0.00 0.00 0.00 0.00 53.44 52.68 3cxt n ALA 263 Cb 0.12 -1.05 -0.15 0.00 0.00 0.00 0.00 19.45 18.38 3cxt n ALA 263 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3cxt s TYR 264 N -2.88 2.71 0.25 0.00 5.04 -0.59 -5.01 117.35 116.88 3cxt s TYR 264 Ca 0.13 -0.75 0.24 0.00 -2.44 0.00 0.00 57.07 54.25 3cxt s TYR 264 Cb 0.18 -1.78 1.05 0.00 0.35 0.00 0.00 41.96 41.75 3cxt s TYR 264 CO 0.69 -0.26 1.89 0.97 -1.34 0.00 0.00 175.55 177.50 3cxt h ILE 265 N 5.44 0.65 0.00 3.14 2.10 -1.93 -3.48 117.51 123.44 3cxt h ILE 265 Ca -0.25 -1.00 0.00 0.00 1.08 0.00 0.00 64.86 64.70 3cxt h ILE 265 Cb 1.22 1.65 0.00 0.00 -1.09 0.00 0.00 36.82 38.59 3cxt h ILE 265 CO 0.52 0.22 0.00 0.61 -1.08 0.00 0.00 178.15 178.42 3cxt n GLY 266 N -0.16 3.51 3.56 8.18 0.00 -1.26 -5.00 105.19 114.03 3cxt n GLY 266 Ca -0.01 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 3cxt n GLY 266 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cxt s LYS 267 N -3.24 3.45 0.41 1.61 2.20 -1.18 -5.02 119.74 117.98 3cxt s LYS 267 Ca 0.00 0.07 -0.06 0.00 -0.36 0.00 0.00 55.97 55.62 3cxt s LYS 267 Cb 0.00 -4.02 -0.05 0.00 -1.51 0.00 0.00 37.83 32.25 3cxt s LYS 267 CO 0.00 -1.60 0.72 1.14 -0.36 0.00 0.00 175.35 175.25 3cxt s GLN 268 N 4.58 3.63 0.00 4.03 -2.07 -1.26 -4.92 119.66 123.65 3cxt s GLN 268 Ca 0.39 0.20 0.31 0.00 -1.82 0.00 0.00 55.36 54.44 3cxt s GLN 268 Cb -0.09 -2.45 1.80 0.00 -1.09 0.00 0.00 33.01 31.17 3cxt s GLN 268 CO 0.23 -0.05 2.17 -2.30 -1.32 0.00 0.00 175.29 174.02