#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3epe s VAL 2 N 0.00 4.36 -0.23 12.58 1.01 -0.17 -4.82 120.40 133.13 3epe s VAL 2 Ca 0.00 1.69 -0.26 0.00 0.00 0.00 0.00 61.98 63.41 3epe s VAL 2 Cb 0.00 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.30 3epe s VAL 2 CO 0.00 0.12 0.91 -0.69 0.00 0.00 0.00 175.10 175.44 3epe s VAL 3 N 1.18 4.78 -0.35 2.92 1.01 -1.26 -0.57 120.40 128.10 3epe s VAL 3 Ca 0.56 1.76 -0.12 0.00 0.00 0.00 0.00 61.98 64.18 3epe s VAL 3 Cb -0.26 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 31.93 3epe s VAL 3 CO 0.28 -0.11 0.21 -0.69 0.00 0.00 0.00 175.10 174.79 3epe s VAL 4 N 2.92 4.85 0.17 2.92 1.01 -0.07 -0.55 120.40 131.65 3epe s VAL 4 Ca 0.39 -0.55 -0.27 0.00 0.00 0.00 0.00 61.98 61.55 3epe s VAL 4 Cb -0.15 -3.59 -0.08 0.00 0.00 0.00 0.00 36.38 32.56 3epe s VAL 4 CO 0.07 -0.10 0.82 0.28 0.00 0.00 0.00 175.10 176.17 3epe s THR 5 N 1.63 4.34 0.29 3.92 -1.32 0.57 -0.41 115.64 124.66 3epe s THR 5 Ca 0.04 1.81 -0.07 0.00 -1.21 0.00 0.00 61.69 62.27 3epe s THR 5 Cb -0.18 -4.19 0.03 0.00 -1.51 0.00 0.00 72.50 66.64 3epe s THR 5 CO 0.08 0.49 0.50 1.07 -2.21 0.00 0.00 174.62 174.55 3epe n THR 6 N 1.75 0.00 -4.03 5.08 5.66 -1.10 -2.04 114.28 119.60 3epe n THR 6 Ca -0.04 -1.07 -0.13 0.00 -3.05 0.00 0.00 64.05 59.76 3epe n THR 6 Cb 0.48 0.81 -0.13 0.00 -1.55 0.00 0.00 70.33 69.95 3epe n THR 6 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3epe s ILE 7 N -2.51 0.29 -0.51 1.09 2.07 -1.26 -0.69 121.20 119.67 3epe s ILE 7 Ca 0.17 -0.50 -0.28 0.00 -1.41 0.00 0.00 60.65 58.64 3epe s ILE 7 Cb -0.02 -0.31 0.00 0.00 0.13 0.00 0.00 42.46 42.26 3epe s ILE 7 CO 0.13 -0.14 1.54 -0.04 -1.91 0.00 0.00 174.94 174.52 3epe s MET 8 N -0.68 3.24 -0.24 3.50 -1.94 -1.26 -4.35 119.30 117.57 3epe s MET 8 Ca -0.05 0.70 -0.07 0.00 -1.71 0.00 0.00 55.69 54.56 3epe s MET 8 Cb -0.05 -4.16 0.11 0.00 2.01 0.00 0.00 34.83 32.74 3epe s MET 8 CO -0.00 -1.99 0.50 -2.00 -0.01 0.00 0.00 175.02 171.51 3epe s GLU 9 N 5.69 0.42 0.26 2.03 2.56 -0.73 -4.99 118.70 123.93 3epe s GLU 9 Ca 0.60 1.15 -0.30 0.00 0.00 0.00 0.00 54.97 56.43 3epe s GLU 9 Cb -0.13 0.48 -0.09 0.00 2.00 0.00 0.00 34.13 36.39 3epe s GLU 9 CO 0.27 -0.27 1.00 -1.12 -0.56 0.00 0.00 175.26 174.58 3epe s SER 10 N 2.71 7.49 -0.33 -1.70 0.01 -1.26 -0.32 113.70 120.30 3epe s SER 10 Ca -0.02 2.06 0.08 0.00 1.31 0.00 0.00 55.95 59.39 3epe s SER 10 Cb -0.12 -2.61 0.70 0.00 0.21 0.00 0.00 66.02 64.20 3epe s SER 10 CO -0.15 0.03 1.78 -0.81 0.41 0.00 0.00 173.24 174.50 3epe n PRO 11 N 1.32 3.39 -0.04 12.44 -0.04 -1.26 -4.92 135.00 145.88 3epe n PRO 11 Ca -0.01 -2.92 -0.14 0.00 -0.04 0.00 0.00 63.50 60.39 3epe n PRO 11 Cb 0.46 -2.17 -0.12 0.00 -0.04 0.00 0.00 33.50 31.64 3epe n PRO 11 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3epe h TYR 12 N 2.30 0.02 -3.21 0.54 0.05 -0.99 -1.12 116.97 114.55 3epe h TYR 12 Ca 0.32 -0.01 -0.33 0.00 0.05 0.00 0.00 58.73 58.76 3epe h TYR 12 Cb 2.37 -0.00 -0.37 0.00 1.01 0.00 0.00 36.73 39.73 3epe h TYR 12 CO 1.29 0.77 -0.68 0.08 -1.05 0.00 0.00 178.16 178.56 3epe s VAL 13 N -3.19 -0.18 0.04 -2.88 1.01 -0.20 -0.91 120.40 114.09 3epe s VAL 13 Ca -0.17 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.19 3epe s VAL 13 Cb -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 3epe s VAL 13 CO 0.69 0.16 -0.04 -0.04 0.00 0.00 0.00 175.10 175.86 3epe s MET 14 N 2.15 0.47 0.18 2.72 -1.94 0.22 -1.77 119.30 121.34 3epe s MET 14 Ca 0.03 -0.85 -0.31 0.00 -1.71 0.00 0.00 55.69 52.85 3epe s MET 14 Cb -0.12 0.02 -0.09 0.00 2.01 0.00 0.00 34.83 36.65 3epe s MET 14 CO -0.04 -0.04 1.43 0.71 -0.01 0.00 0.00 175.02 177.06 3epe s TYR 15 N -2.22 3.14 0.65 -0.03 2.02 -1.26 -0.82 117.35 118.83 3epe s TYR 15 Ca -0.07 0.96 -0.17 0.00 -0.37 0.00 0.00 57.07 57.42 3epe s TYR 15 Cb -0.04 -3.76 -0.03 0.00 -0.40 0.00 0.00 41.96 37.72 3epe s TYR 15 CO -0.03 -2.59 0.89 1.63 -1.57 0.00 0.00 175.55 173.88 3epe n LYS 16 N 3.22 0.69 -1.59 -0.62 5.02 -0.39 -4.80 118.16 119.69 3epe n LYS 16 Ca 0.10 0.28 -0.49 0.00 -2.02 0.00 0.00 58.31 56.18 3epe n LYS 16 Cb 0.41 -2.12 -0.04 0.00 -0.02 0.00 0.00 35.03 33.26 3epe n LYS 16 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3epe n LYS 17 N -1.17 1.24 -3.97 1.97 3.00 -1.26 -1.89 118.16 116.09 3epe n LYS 17 Ca 0.13 0.44 -0.31 0.00 -0.00 0.00 0.00 58.31 58.58 3epe n LYS 17 Cb 0.48 -1.98 0.01 0.00 0.00 0.00 0.00 35.03 33.55 3epe n LYS 17 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3epe n ASN 18 N 2.11 -4.03 -0.03 3.14 3.02 -1.26 -4.85 115.26 113.35 3epe n ASN 18 Ca 0.15 -0.84 0.21 0.00 -0.03 0.00 0.00 54.58 54.07 3epe n ASN 18 Cb 0.24 -3.63 0.68 0.00 -0.61 0.00 0.00 39.78 36.46 3epe n ASN 18 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 3epe h HIS 19 N -1.94 0.05 0.00 3.10 2.07 -1.67 -1.99 115.15 114.77 3epe h HIS 19 Ca -0.59 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 56.93 3epe h HIS 19 Cb 1.38 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 31.34 3epe h HIS 19 CO 0.57 0.02 0.00 0.93 -3.07 0.00 0.00 177.93 176.38 3epe h GLU 20 N 0.04 0.00 -0.01 5.12 4.39 -1.88 -0.82 114.58 121.41 3epe h GLU 20 Ca 0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.98 3epe h GLU 20 Cb 1.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3epe h GLU 20 CO -0.01 0.00 -0.28 0.00 -1.16 0.00 0.00 179.01 177.56 3epe n MET 21 N -3.02 0.90 -4.04 2.33 0.00 -0.75 -4.89 117.12 107.65 3epe n MET 21 Ca -0.02 -0.56 -0.22 0.00 0.00 0.00 0.00 57.70 56.89 3epe n MET 21 Cb 0.10 -1.49 -0.03 0.00 0.00 0.00 0.00 33.22 31.80 3epe n MET 21 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3epe s PHE 22 N -2.49 3.28 0.05 3.17 0.40 -0.32 -5.11 117.98 116.96 3epe s PHE 22 Ca 0.24 -0.05 0.07 0.00 -0.60 0.00 0.00 56.93 56.59 3epe s PHE 22 Cb 0.19 -1.50 -0.03 0.00 0.51 0.00 0.00 43.02 42.19 3epe s PHE 22 CO 0.52 0.49 -0.17 -1.21 0.70 0.00 0.00 175.22 175.55 3epe s GLU 23 N -3.79 2.04 4.53 0.44 2.02 -1.26 -4.68 118.70 118.00 3epe s GLU 23 Ca 0.33 -1.01 0.00 0.00 0.02 0.00 0.00 54.97 54.32 3epe s GLU 23 Cb -0.09 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 31.95 3epe s GLU 23 CO 0.27 0.53 0.00 0.41 0.02 0.00 0.00 175.26 176.49 3epe n GLY 24 N 1.39 2.77 0.44 -1.39 0.00 -1.26 -2.03 105.19 105.11 3epe n GLY 24 Ca -0.16 -0.22 0.26 0.00 0.00 0.00 0.00 46.02 45.90 3epe n GLY 24 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3epe h ASN 25 N 3.85 0.00 0.41 1.61 2.35 -1.93 -1.63 115.58 120.23 3epe h ASN 25 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3epe h ASN 25 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3epe h ASN 25 CO 0.00 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.25 3epe n ASP 26 N -4.16 0.00 0.24 5.81 10.43 -0.86 -2.45 116.55 125.57 3epe n ASP 26 Ca 0.16 0.22 0.13 0.00 2.57 0.00 0.00 54.79 57.86 3epe n ASP 26 Cb 0.87 -0.37 0.52 0.00 1.84 0.00 0.00 41.12 43.98 3epe n ASP 26 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 3epe h LYS 27 N 0.00 0.00 -6.59 -1.24 1.57 -1.41 -3.44 116.57 105.45 3epe h LYS 27 Ca 0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 3epe h LYS 27 Cb 0.20 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.34 3epe h LYS 27 CO 0.00 0.12 -0.78 0.71 -0.57 0.00 0.00 179.45 178.93 3epe s TYR 28 N -3.61 2.48 0.08 -1.35 2.02 -1.02 -1.26 117.35 114.68 3epe s TYR 28 Ca 0.01 -0.29 -0.07 0.00 -0.37 0.00 0.00 57.07 56.36 3epe s TYR 28 Cb 0.09 -1.25 -0.01 0.00 -0.40 0.00 0.00 41.96 40.39 3epe s TYR 28 CO 0.60 0.47 0.14 -1.83 -1.57 0.00 0.00 175.55 173.36 3epe s GLU 29 N -2.58 0.81 0.00 -0.62 -1.05 0.00 -4.78 118.70 110.48 3epe s GLU 29 Ca 0.21 -1.04 0.00 0.00 -0.15 0.00 0.00 54.97 53.99 3epe s GLU 29 Cb -0.09 0.31 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 3epe s GLU 29 CO 0.12 -0.24 0.00 0.41 0.95 0.00 0.00 175.26 176.50 3epe n GLY 30 N -0.03 1.32 0.20 -3.83 0.00 -1.26 -0.61 105.19 100.98 3epe n GLY 30 Ca -0.14 -1.89 -0.02 0.00 0.00 0.00 0.00 46.02 43.97 3epe n GLY 30 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3epe h TYR 31 N 0.00 0.20 0.00 1.61 5.03 -0.84 -0.17 116.97 122.80 3epe h TYR 31 Ca 0.00 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.20 3epe h TYR 31 Cb 0.00 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.25 3epe h TYR 31 CO 0.00 0.02 -0.64 0.00 -1.32 0.00 0.00 178.16 176.22 3epe h VAL 33 N 0.00 1.11 -0.50 0.00 2.07 -1.35 0.82 116.25 118.39 3epe h VAL 33 Ca -0.01 -0.26 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 3epe h VAL 33 Cb 1.36 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 3epe h VAL 33 CO 0.08 0.11 -0.18 0.44 0.02 0.00 0.00 177.57 178.04 3epe h ASP 34 N 0.37 1.02 -0.77 0.57 3.45 -0.81 -2.31 116.42 117.94 3epe h ASP 34 Ca 0.10 -0.38 -0.04 0.00 0.43 0.00 0.00 57.03 57.14 3epe h ASP 34 Cb 0.02 -0.28 -0.04 0.00 -0.56 0.00 0.00 39.33 38.47 3epe h ASP 34 CO -0.02 1.17 0.33 0.25 -1.57 0.00 0.00 179.24 179.40 3epe h LEU 35 N 0.87 1.04 -0.21 1.55 5.85 -0.66 -0.44 115.31 123.31 3epe h LEU 35 Ca 0.12 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3epe h LEU 35 Cb 0.76 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3epe h LEU 35 CO 0.06 0.91 0.14 0.00 -0.34 0.00 0.00 178.44 179.21 3epe h ALA 36 N 1.24 0.27 -0.77 1.25 0.00 -0.67 -0.16 119.26 120.42 3epe h ALA 36 Ca 0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3epe h ALA 36 Cb 0.18 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3epe h ALA 36 CO -0.03 -0.25 0.47 1.03 0.00 0.00 0.00 179.25 180.47 3epe h SER 37 N 0.29 0.93 -0.20 0.00 0.87 -1.11 -0.58 113.55 113.75 3epe h SER 37 Ca 0.08 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 3epe h SER 37 Cb -0.03 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 3epe h SER 37 CO -0.02 0.72 0.08 -0.33 -0.53 0.00 0.00 176.83 176.75 3epe h GLU 38 N 1.06 0.31 -0.15 2.24 4.39 -0.77 -1.85 114.58 119.81 3epe h GLU 38 Ca 0.28 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.90 3epe h GLU 38 Cb -0.03 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 3epe h GLU 38 CO -0.05 0.38 0.03 0.82 -1.16 0.00 0.00 179.01 179.03 3epe h ILE 39 N 0.17 1.21 -0.85 3.13 2.04 -0.93 -2.20 117.51 120.08 3epe h ILE 39 Ca 0.07 -0.65 0.08 0.00 1.00 0.00 0.00 64.86 65.35 3epe h ILE 39 Cb 0.19 1.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.57 3epe h ILE 39 CO -0.00 0.20 0.55 0.00 0.00 0.00 0.00 178.15 178.89 3epe h ALA 40 N 0.83 1.62 -0.38 1.87 0.00 -1.06 0.31 119.26 122.44 3epe h ALA 40 Ca 0.05 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3epe h ALA 40 Cb 0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3epe h ALA 40 CO 0.00 0.23 -0.18 -0.22 0.00 0.00 0.00 179.25 179.08 3epe h LYS 41 N 0.89 0.79 -0.28 0.00 3.64 -1.24 0.38 116.57 120.75 3epe h LYS 41 Ca 0.38 -0.35 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 3epe h LYS 41 Cb 0.31 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3epe h LYS 41 CO -0.15 0.97 -0.31 0.45 -2.27 0.00 0.00 179.45 178.14 3epe h HIS 42 N 0.59 0.69 -0.01 1.91 3.86 -0.63 -3.26 115.15 118.30 3epe h HIS 42 Ca 0.08 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 3epe h HIS 42 Cb 0.73 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.04 3epe h HIS 42 CO 0.06 0.84 -0.59 0.44 0.86 0.00 0.00 177.93 179.53 3epe n ILE 43 N -4.08 0.00 -2.34 2.45 -5.35 -0.01 -5.01 119.36 105.02 3epe n ILE 43 Ca -0.01 -0.20 -0.04 0.00 -0.27 0.00 0.00 62.75 62.23 3epe n ILE 43 Cb 0.46 1.17 0.02 0.00 -1.74 0.00 0.00 39.64 39.55 3epe n ILE 43 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3epe n GLY 44 N 1.39 0.25 3.32 3.28 0.00 0.02 -5.06 105.19 108.38 3epe n GLY 44 Ca 0.07 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 3epe n GLY 44 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3epe s ILE 45 N -3.09 1.91 0.28 -0.61 -4.36 -0.60 -5.05 121.20 109.68 3epe s ILE 45 Ca 0.00 -1.56 -0.16 0.00 -0.26 0.00 0.00 60.65 58.67 3epe s ILE 45 Cb -0.00 -1.70 -0.09 0.00 1.25 0.00 0.00 42.46 41.92 3epe s ILE 45 CO 0.18 0.05 0.71 -0.54 0.24 0.00 0.00 174.94 175.59 3epe s LYS 46 N -1.81 4.07 0.04 0.37 1.02 -1.26 -4.68 119.74 117.48 3epe s LYS 46 Ca 0.09 0.70 -0.13 0.00 0.02 0.00 0.00 55.97 56.66 3epe s LYS 46 Cb -0.10 -2.61 0.02 0.00 -0.52 0.00 0.00 37.83 34.62 3epe s LYS 46 CO 0.04 0.25 0.28 1.52 -0.92 0.00 0.00 175.35 176.53 3epe s TYR 47 N -1.81 -0.08 -0.10 3.18 1.13 -1.26 -1.00 117.35 117.41 3epe s TYR 47 Ca 0.50 -0.06 0.01 0.00 -1.41 0.00 0.00 57.07 56.10 3epe s TYR 47 Cb -0.12 0.07 0.02 0.00 -1.10 0.00 0.00 41.96 40.83 3epe s TYR 47 CO 0.19 -0.48 -0.12 0.21 -2.51 0.00 0.00 175.55 172.84 3epe s LYS 48 N -2.48 1.85 -0.01 -3.49 2.20 0.27 -4.87 119.74 113.20 3epe s LYS 48 Ca -0.05 -0.42 -0.30 0.00 -0.36 0.00 0.00 55.97 54.84 3epe s LYS 48 Cb -0.01 -1.67 -0.04 0.00 -1.51 0.00 0.00 37.83 34.59 3epe s LYS 48 CO -0.03 -0.12 1.24 0.42 -0.36 0.00 0.00 175.35 176.50 3epe s ILE 49 N 1.18 4.07 -0.22 5.43 1.01 -1.26 -0.90 121.20 130.51 3epe s ILE 49 Ca -0.04 1.43 0.01 0.00 0.00 0.00 0.00 60.65 62.05 3epe s ILE 49 Cb -0.14 -3.92 0.05 0.00 0.01 0.00 0.00 42.46 38.46 3epe s ILE 49 CO -0.03 0.03 -0.07 0.00 0.00 0.00 0.00 174.94 174.87 3epe s ALA 50 N 1.92 1.93 0.09 9.38 0.00 0.46 -4.84 121.76 130.69 3epe s ALA 50 Ca 0.58 -1.26 -0.31 0.00 0.00 0.00 0.00 51.96 50.98 3epe s ALA 50 Cb -0.28 -1.36 -0.07 0.00 0.00 0.00 0.00 23.12 21.42 3epe s ALA 50 CO 0.25 -1.04 1.39 0.42 0.00 0.00 0.00 175.76 176.78 3epe s ILE 51 N 1.42 3.41 -0.16 0.00 -1.09 -1.26 -2.70 121.20 120.82 3epe s ILE 51 Ca -0.04 0.98 -0.37 0.00 -2.23 0.00 0.00 60.65 58.99 3epe s ILE 51 Cb -0.18 -3.63 -0.13 0.00 -1.58 0.00 0.00 42.46 36.94 3epe s ILE 51 CO -0.07 0.06 1.81 0.55 -1.23 0.00 0.00 174.94 176.06 3epe n VAL 52 N 4.12 0.45 -0.34 2.92 3.14 0.13 -4.86 118.33 123.89 3epe n VAL 52 Ca 0.12 -0.08 0.06 0.00 -2.96 0.00 0.00 64.34 61.48 3epe n VAL 52 Cb 0.43 -1.59 0.22 0.00 -1.06 0.00 0.00 33.84 31.85 3epe n VAL 52 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 3epe h PRO 53 N 8.26 0.87 -0.01 1.45 0.11 -1.91 -2.46 132.00 138.31 3epe h PRO 53 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3epe h PRO 53 Cb 1.29 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3epe h PRO 53 CO 0.95 0.57 -0.19 -0.40 -0.21 0.00 0.00 178.00 178.72 3epe n ASP 54 N -4.68 0.76 -0.72 -2.05 3.85 -1.26 -4.94 116.55 107.50 3epe n ASP 54 Ca 0.18 -0.73 -0.09 0.00 -0.71 0.00 0.00 54.79 53.44 3epe n ASP 54 Cb 0.36 0.04 -0.03 0.00 -1.35 0.00 0.00 41.12 40.13 3epe n ASP 54 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3epe n GLY 55 N 1.32 0.81 3.52 6.12 0.00 -0.93 -4.99 105.19 111.04 3epe n GLY 55 Ca 0.13 -0.63 -0.26 0.00 0.00 0.00 0.00 46.02 45.26 3epe n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3epe s LYS 56 N -3.10 1.87 -0.06 1.61 1.02 -1.26 -4.96 119.74 114.86 3epe s LYS 56 Ca 0.00 -1.39 -0.21 0.00 0.02 0.00 0.00 55.97 54.39 3epe s LYS 56 Cb 0.00 -2.03 -0.15 0.00 -0.52 0.00 0.00 37.83 35.12 3epe s LYS 56 CO 0.00 0.41 0.84 1.88 -0.92 0.00 0.00 175.35 177.56 3epe h TYR 57 N 2.91 -0.19 0.00 3.18 -1.99 -1.90 -1.92 116.97 117.06 3epe h TYR 57 Ca -0.46 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.27 3epe h TYR 57 Cb 1.21 0.06 0.00 0.00 2.00 0.00 0.00 36.73 40.01 3epe h TYR 57 CO 0.67 0.24 0.00 0.41 -0.00 0.00 0.00 178.16 179.49 3epe n GLY 58 N 0.67 2.97 3.06 3.88 0.00 -1.18 -1.66 105.19 112.93 3epe n GLY 58 Ca -0.07 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 3epe n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3epe s ALA 59 N 0.00 0.41 -0.20 4.61 0.00 -1.25 -4.75 121.76 120.57 3epe s ALA 59 Ca 0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 51.96 50.83 3epe s ALA 59 Cb 0.00 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 3epe s ALA 59 CO 0.00 -0.31 0.13 0.50 0.00 0.00 0.00 175.76 176.08 3epe s ARG 60 N -3.21 4.18 0.15 0.00 3.52 -1.26 -1.32 118.95 121.01 3epe s ARG 60 Ca 0.00 -0.22 -0.30 0.00 -0.13 0.00 0.00 55.73 55.08 3epe s ARG 60 Cb 0.03 -3.42 -0.07 0.00 -1.56 0.00 0.00 34.95 29.93 3epe s ARG 60 CO -0.07 0.31 1.22 0.34 -0.81 0.00 0.00 175.30 176.28 3epe s ASP 61 N 0.34 7.06 0.46 -2.12 -1.08 -0.55 -4.94 116.67 115.84 3epe s ASP 61 Ca 0.08 2.19 0.23 0.00 -0.52 0.00 0.00 52.55 54.53 3epe s ASP 61 Cb -0.11 -2.60 1.14 0.00 -1.46 0.00 0.00 42.92 39.89 3epe s ASP 61 CO -0.02 -0.42 1.95 0.00 0.52 0.00 0.00 175.17 177.20 3epe h ALA 62 N 5.78 1.24 0.00 3.66 0.00 -1.96 -0.80 119.26 127.18 3epe h ALA 62 Ca -0.44 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.12 3epe h ALA 62 Cb 1.21 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3epe h ALA 62 CO 0.77 0.26 -1.21 -0.25 0.00 0.00 0.00 179.25 178.82 3epe n ASP 63 N -3.69 1.87 0.16 0.00 8.00 -1.26 -4.52 116.55 117.11 3epe n ASP 63 Ca -0.01 0.46 0.07 0.00 0.71 0.00 0.00 54.79 56.02 3epe n ASP 63 Cb 0.33 -0.88 0.08 0.00 -0.02 0.00 0.00 41.12 40.63 3epe n ASP 63 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3epe h THR 64 N -1.00 0.38 -0.38 -3.53 1.35 -1.99 -3.47 112.91 104.27 3epe h THR 64 Ca -0.25 -1.55 -0.16 0.00 -0.55 0.00 0.00 66.41 63.89 3epe h THR 64 Cb 1.06 2.12 -0.06 0.00 -1.73 0.00 0.00 68.15 69.54 3epe h THR 64 CO -0.15 0.22 -0.15 0.29 -0.25 0.00 0.00 175.52 175.48 3epe n LYS 65 N -3.09 -0.93 -3.11 4.72 4.76 -0.31 -4.99 118.16 115.20 3epe n LYS 65 Ca 0.02 0.71 -0.39 0.00 -2.87 0.00 0.00 58.31 55.77 3epe n LYS 65 Cb 0.64 -4.66 -0.05 0.00 -1.84 0.00 0.00 35.03 29.11 3epe n LYS 65 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3epe s ILE 66 N -2.11 4.96 0.00 -0.18 1.01 -1.25 -4.72 121.20 118.91 3epe s ILE 66 Ca 0.00 1.36 -0.25 0.00 0.00 0.00 0.00 60.65 61.77 3epe s ILE 66 Cb 0.00 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 3epe s ILE 66 CO 0.00 0.34 0.76 0.26 0.00 0.00 0.00 174.94 176.29 3epe s TRP 67 N 0.29 3.68 0.23 3.97 0.52 -1.26 -1.48 118.94 124.89 3epe s TRP 67 Ca 0.34 1.41 0.03 0.00 0.02 0.00 0.00 56.10 57.90 3epe s TRP 67 Cb -0.18 -2.83 0.03 0.00 -1.15 0.00 0.00 33.47 29.34 3epe s TRP 67 CO 0.18 0.19 0.25 0.27 0.02 0.00 0.00 176.95 177.86 3epe n ASN 68 N 3.21 1.32 -0.05 2.95 0.23 -0.43 -4.27 115.26 118.21 3epe n ASN 68 Ca -0.01 -1.71 0.00 0.00 -0.53 0.00 0.00 54.58 52.32 3epe n ASN 68 Cb 0.51 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 38.11 3epe n ASN 68 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3epe n GLY 69 N 2.17 0.55 0.36 4.83 0.00 -1.26 -1.11 105.19 110.74 3epe n GLY 69 Ca 0.03 -0.90 -0.02 0.00 0.00 0.00 0.00 46.02 45.13 3epe n GLY 69 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3epe h MET 70 N 0.00 1.21 -0.44 1.61 2.86 -0.47 -1.72 114.93 117.98 3epe h MET 70 Ca 0.00 -0.10 0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3epe h MET 70 Cb 0.00 -0.26 -0.05 0.00 0.06 0.00 0.00 31.60 31.36 3epe h MET 70 CO 0.00 0.84 0.17 0.28 1.06 0.00 0.00 176.91 179.26 3epe h VAL 71 N 1.23 0.88 -0.56 -2.22 2.07 -1.55 -2.25 116.25 113.87 3epe h VAL 71 Ca 0.32 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.79 3epe h VAL 71 Cb -0.06 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.15 3epe h VAL 71 CO -0.06 0.06 0.24 1.23 0.02 0.00 0.00 177.57 179.07 3epe h GLY 72 N 0.35 0.78 0.57 2.17 0.00 -0.26 -0.32 103.07 106.36 3epe h GLY 72 Ca 0.20 -0.15 0.11 0.00 0.00 0.00 0.00 47.33 47.49 3epe h GLY 72 CO -0.19 0.05 0.62 0.83 0.00 0.00 0.00 176.54 177.85 3epe h GLU 73 N 0.46 0.97 -0.01 4.80 4.39 -0.80 -0.15 114.58 124.24 3epe h GLU 73 Ca 0.26 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 3epe h GLU 73 Cb 0.25 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3epe h GLU 73 CO -0.23 0.64 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.18 3epe h LEU 74 N 1.00 0.02 -0.98 1.33 3.38 -0.99 0.33 115.31 119.39 3epe h LEU 74 Ca 0.47 -0.59 0.06 0.00 0.09 0.00 0.00 57.88 57.90 3epe h LEU 74 Cb 0.43 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 3epe h LEU 74 CO -0.23 0.61 0.63 0.58 0.09 0.00 0.00 178.44 180.12 3epe h VAL 75 N -0.57 1.11 -0.39 1.22 2.07 -0.45 -2.39 116.25 116.84 3epe h VAL 75 Ca -0.00 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3epe h VAL 75 Cb 0.61 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3epe h VAL 75 CO 0.00 0.21 0.00 -1.22 0.02 0.00 0.00 177.57 176.59 3epe n TYR 76 N -4.50 0.52 -1.44 1.57 4.01 -0.12 -4.95 117.16 112.23 3epe n TYR 76 Ca 0.14 -0.26 -0.01 0.00 -0.16 0.00 0.00 57.90 57.62 3epe n TYR 76 Cb 0.16 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.18 3epe n TYR 76 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3epe n GLY 77 N 1.38 0.41 0.05 2.72 0.00 -0.90 -4.94 105.19 103.90 3epe n GLY 77 Ca 0.18 -0.96 0.12 0.00 0.00 0.00 0.00 46.02 45.36 3epe n GLY 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3epe n LYS 78 N -2.19 0.28 -3.94 1.61 4.76 0.11 -4.90 118.16 113.88 3epe n LYS 78 Ca -0.01 0.04 -0.09 0.00 -2.87 0.00 0.00 58.31 55.37 3epe n LYS 78 Cb 0.23 -1.63 -0.09 0.00 -1.84 0.00 0.00 35.03 31.70 3epe n LYS 78 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3epe s ALA 79 N -3.18 -0.04 -0.05 7.82 0.00 -0.66 -4.95 121.76 120.71 3epe s ALA 79 Ca 0.05 -0.58 0.18 0.00 0.00 0.00 0.00 51.96 51.60 3epe s ALA 79 Cb 0.14 0.25 -0.27 0.00 0.00 0.00 0.00 23.12 23.24 3epe s ALA 79 CO 0.76 -0.32 0.34 0.39 0.00 0.00 0.00 175.76 176.93 3epe n GLU 80 N 0.75 0.67 -3.78 0.00 4.71 0.28 -4.39 120.64 118.89 3epe n GLU 80 Ca -0.19 -0.14 -0.13 0.00 -0.01 0.00 0.00 57.16 56.69 3epe n GLU 80 Cb 0.59 -1.43 -0.09 0.00 -1.01 0.00 0.00 31.44 29.49 3epe n GLU 80 CO 0.00 0.00 0.00 -1.50 0.09 0.00 0.00 177.13 175.72 3epe s ILE 81 N -3.12 0.04 -0.23 -3.67 2.07 -1.02 -4.28 121.20 111.00 3epe s ILE 81 Ca -0.07 -0.36 -0.05 0.00 -1.41 0.00 0.00 60.65 58.76 3epe s ILE 81 Cb 0.11 -0.54 -0.01 0.00 0.13 0.00 0.00 42.46 42.14 3epe s ILE 81 CO 0.75 -0.20 -0.01 0.00 -1.91 0.00 0.00 174.94 173.56 3epe s ALA 82 N -0.90 2.92 -0.38 1.50 0.00 0.49 -0.32 121.76 125.07 3epe s ALA 82 Ca -0.10 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 50.75 3epe s ALA 82 Cb -0.05 -1.81 0.11 0.00 0.00 0.00 0.00 23.12 21.38 3epe s ALA 82 CO 0.03 -0.42 0.11 0.42 0.00 0.00 0.00 175.76 175.89 3epe s ILE 83 N 1.48 2.11 0.11 0.00 1.01 -0.87 -1.45 121.20 123.59 3epe s ILE 83 Ca 0.06 -2.43 -0.26 0.00 0.00 0.00 0.00 60.65 58.02 3epe s ILE 83 Cb -0.14 -2.54 0.07 0.00 0.01 0.00 0.00 42.46 39.86 3epe s ILE 83 CO -0.01 -0.67 0.90 0.00 0.00 0.00 0.00 174.94 175.16 3epe s ALA 84 N 0.73 -1.69 -0.86 9.38 0.00 -1.26 -4.62 121.76 123.44 3epe s ALA 84 Ca 0.12 0.43 -0.17 0.00 0.00 0.00 0.00 51.96 52.35 3epe s ALA 84 Cb -0.20 0.59 -0.11 0.00 0.00 0.00 0.00 23.12 23.39 3epe s ALA 84 CO -0.08 -0.90 2.01 -0.35 0.00 0.00 0.00 175.76 176.43 3epe n PRO 85 N -0.39 1.77 -3.48 0.00 -0.04 -1.26 -4.72 135.00 126.88 3epe n PRO 85 Ca -0.08 -1.78 -0.40 0.00 -0.04 0.00 0.00 63.50 61.20 3epe n PRO 85 Cb 0.61 -2.81 -0.10 0.00 -0.04 0.00 0.00 33.50 31.17 3epe n PRO 85 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3epe s LEU 86 N 0.91 4.36 0.14 1.53 2.96 -1.26 -5.02 118.68 122.31 3epe s LEU 86 Ca 0.52 -0.21 -0.30 0.00 -0.22 0.00 0.00 54.13 53.91 3epe s LEU 86 Cb 0.13 -2.24 -0.08 0.00 0.50 0.00 0.00 46.19 44.51 3epe s LEU 86 CO 0.06 -0.24 1.27 -0.89 -1.32 0.00 0.00 176.35 175.23 3epe s THR 87 N 1.87 3.52 -0.28 3.68 2.01 -1.26 -1.72 115.64 123.46 3epe s THR 87 Ca 0.09 1.18 -0.29 0.00 0.31 0.00 0.00 61.69 62.98 3epe s THR 87 Cb -0.17 -3.75 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 3epe s THR 87 CO 0.11 0.14 1.42 -0.63 -0.69 0.00 0.00 174.62 174.97 3epe s ILE 88 N 0.50 3.97 0.12 1.82 1.01 -0.26 -4.87 121.20 123.50 3epe s ILE 88 Ca 0.58 1.09 0.04 0.00 0.00 0.00 0.00 60.65 62.36 3epe s ILE 88 Cb -0.34 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 3epe s ILE 88 CO 0.34 -0.43 -0.09 0.42 0.00 0.00 0.00 174.94 175.18 3epe s THR 89 N 4.72 1.00 0.09 2.92 -4.23 -1.26 -4.74 115.64 114.14 3epe s THR 89 Ca 0.62 -1.93 -0.23 0.00 -1.18 0.00 0.00 61.69 58.97 3epe s THR 89 Cb -0.19 -1.69 -0.14 0.00 1.34 0.00 0.00 72.50 71.82 3epe s THR 89 CO 0.26 -0.73 1.73 0.25 -0.54 0.00 0.00 174.62 175.59 3epe h LEU 90 N 3.02 -0.03 -1.26 4.79 6.46 -1.98 -0.35 115.31 125.96 3epe h LEU 90 Ca -0.36 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.36 3epe h LEU 90 Cb 1.18 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 41.11 3epe h LEU 90 CO 0.61 -0.02 0.02 -0.37 -0.62 0.00 0.00 178.44 178.06 3epe h VAL 91 N -0.02 1.19 -0.22 1.05 -1.51 -2.00 -2.14 116.25 112.59 3epe h VAL 91 Ca 0.00 -0.74 -0.17 0.00 -1.23 0.00 0.00 66.70 64.57 3epe h VAL 91 Cb 0.03 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.10 3epe h VAL 91 CO -0.01 0.26 -0.52 0.03 -1.23 0.00 0.00 177.57 176.09 3epe h ARG 92 N 0.51 0.75 -0.03 5.19 3.08 -1.91 -3.17 114.38 118.79 3epe h ARG 92 Ca 0.11 -0.51 0.01 0.00 0.07 0.00 0.00 59.98 59.66 3epe h ARG 92 Cb 0.30 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 3epe h ARG 92 CO 0.01 1.13 0.05 1.49 -1.07 0.00 0.00 179.97 181.57 3epe h GLU 93 N 0.48 0.00 0.00 0.04 4.57 -0.56 0.50 114.58 119.61 3epe h GLU 93 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3epe h GLU 93 Cb 1.13 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 3epe h GLU 93 CO 0.11 0.00 0.00 0.93 -1.18 0.00 0.00 179.01 178.87 3epe h GLU 94 N 0.00 0.00 0.00 1.92 5.08 -1.37 -3.37 114.58 116.84 3epe h GLU 94 Ca 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3epe h GLU 94 Cb 0.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3epe h GLU 94 CO -0.00 0.00 -1.06 1.33 -1.00 0.00 0.00 179.01 178.28 3epe n VAL 95 N -3.05 0.02 -4.35 3.13 0.24 -0.22 -5.08 118.33 109.03 3epe n VAL 95 Ca 0.02 -0.03 -0.19 0.00 -2.04 0.00 0.00 64.34 62.10 3epe n VAL 95 Cb 0.36 0.07 -0.09 0.00 -1.47 0.00 0.00 33.84 32.70 3epe n VAL 95 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3epe s ILE 96 N -2.07 0.46 0.13 1.34 -4.36 -0.00 -4.29 121.20 112.42 3epe s ILE 96 Ca -0.00 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.44 3epe s ILE 96 Cb 0.01 -2.55 -0.04 0.00 1.25 0.00 0.00 42.46 41.12 3epe s ILE 96 CO 0.05 0.00 0.06 -1.81 0.24 0.00 0.00 174.94 173.48 3epe s ASP 97 N -3.38 5.25 0.01 4.36 1.01 -0.27 -4.23 116.67 119.43 3epe s ASP 97 Ca 0.35 -0.17 0.05 0.00 0.71 0.00 0.00 52.55 53.49 3epe s ASP 97 Cb 0.06 -1.31 -0.01 0.00 1.01 0.00 0.00 42.92 42.67 3epe s ASP 97 CO 0.16 0.12 -0.15 -0.36 0.21 0.00 0.00 175.17 175.15 3epe s PHE 98 N -1.57 1.31 1.00 4.23 0.08 -1.26 -1.51 117.98 120.26 3epe s PHE 98 Ca 0.29 -0.28 -0.11 0.00 0.12 0.00 0.00 56.93 56.94 3epe s PHE 98 Cb -0.11 -0.82 0.19 0.00 -0.57 0.00 0.00 43.02 41.71 3epe s PHE 98 CO 0.21 0.00 1.09 -1.54 -0.10 0.00 0.00 175.22 174.88 3epe s SER 99 N -0.60 2.39 0.77 1.36 1.04 -0.23 -4.94 113.70 113.49 3epe s SER 99 Ca 0.05 1.76 -0.15 0.00 0.48 0.00 0.00 55.95 58.09 3epe s SER 99 Cb -0.06 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.68 3epe s SER 99 CO 0.00 -3.36 0.70 0.29 0.98 0.00 0.00 173.24 171.85 3epe n LYS 100 N -4.38 0.22 -1.73 4.02 4.76 -1.26 -4.53 118.16 115.26 3epe n LYS 100 Ca 0.07 0.13 -0.42 0.00 -2.87 0.00 0.00 58.31 55.22 3epe n LYS 100 Cb 0.54 -2.00 -0.02 0.00 -1.84 0.00 0.00 35.03 31.70 3epe n LYS 100 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3epe n PRO 101 N -1.51 2.61 0.01 1.97 -0.02 -1.26 -4.62 135.00 132.19 3epe n PRO 101 Ca 0.11 0.93 0.12 0.00 -2.02 0.00 0.00 63.50 62.63 3epe n PRO 101 Cb 0.50 -2.70 0.19 0.00 -0.02 0.00 0.00 33.50 31.47 3epe n PRO 101 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3epe n PHE 102 N 2.28 0.08 -3.70 6.00 1.16 -0.11 -4.93 117.46 118.24 3epe n PHE 102 Ca 0.10 0.02 -0.14 0.00 -1.87 0.00 0.00 57.45 55.56 3epe n PHE 102 Cb 0.36 -0.29 -0.09 0.00 -1.61 0.00 0.00 39.48 37.85 3epe n PHE 102 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 3epe s MET 103 N -3.04 0.60 -0.04 3.97 0.00 -1.25 -5.00 119.30 114.55 3epe s MET 103 Ca 0.10 0.57 0.00 0.00 0.00 0.00 0.00 55.69 56.36 3epe s MET 103 Cb 0.17 0.29 -0.03 0.00 0.00 0.00 0.00 34.83 35.25 3epe s MET 103 CO 0.72 -0.09 -0.02 -1.12 0.00 0.00 0.00 175.02 174.51 3epe s SER 104 N 0.03 4.99 0.28 1.11 0.01 -1.26 -1.68 113.70 117.18 3epe s SER 104 Ca -0.02 0.02 -0.20 0.00 1.31 0.00 0.00 55.95 57.07 3epe s SER 104 Cb -0.03 -1.31 0.06 0.00 0.21 0.00 0.00 66.02 64.94 3epe s SER 104 CO 0.02 0.33 0.87 -1.48 0.41 0.00 0.00 173.24 173.39 3epe s LEU 105 N -1.15 -0.06 0.09 2.44 -0.00 -0.35 -4.92 118.68 114.73 3epe s LEU 105 Ca 0.16 -0.83 -0.18 0.00 -0.00 0.00 0.00 54.13 53.28 3epe s LEU 105 Cb -0.11 2.53 0.04 0.00 -0.00 0.00 0.00 46.19 48.64 3epe s LEU 105 CO 0.05 -1.34 0.43 -0.83 -0.00 0.00 0.00 176.35 174.67 3epe s GLY 106 N -3.12 -0.32 0.41 -3.48 0.00 -1.26 -0.56 107.32 99.00 3epe s GLY 106 Ca 0.16 0.19 -0.26 0.00 0.00 0.00 0.00 44.72 44.80 3epe s GLY 106 CO 0.08 -0.08 1.41 -0.42 0.00 0.00 0.00 173.10 174.09 3epe s ILE 107 N -3.20 2.20 0.23 0.90 1.01 -1.26 -0.54 121.20 120.55 3epe s ILE 107 Ca -0.01 0.19 -0.03 0.00 0.00 0.00 0.00 60.65 60.80 3epe s ILE 107 Cb 0.01 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 3epe s ILE 107 CO -0.08 0.03 0.24 -0.94 0.00 0.00 0.00 174.94 174.20 3epe s SER 108 N -0.45 0.32 -0.19 3.58 1.04 0.14 -0.44 113.70 117.70 3epe s SER 108 Ca 0.57 -1.34 -0.06 0.00 0.48 0.00 0.00 55.95 55.60 3epe s SER 108 Cb -0.43 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 66.12 3epe s SER 108 CO 0.57 -0.96 0.02 -0.63 0.98 0.00 0.00 173.24 173.22 3epe s ILE 109 N -3.98 4.27 -0.18 -1.02 1.01 -1.26 -1.52 121.20 118.52 3epe s ILE 109 Ca 0.35 -0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.72 3epe s ILE 109 Cb 0.04 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 3epe s ILE 109 CO 0.14 0.44 0.04 -0.32 0.00 0.00 0.00 174.94 175.24 3epe s MET 110 N 0.70 3.88 0.23 2.79 -2.45 0.05 -1.99 119.30 122.52 3epe s MET 110 Ca 0.01 -0.39 0.10 0.00 -1.25 0.00 0.00 55.69 54.16 3epe s MET 110 Cb -0.14 -3.17 -0.05 0.00 1.25 0.00 0.00 34.83 32.73 3epe s MET 110 CO 0.02 0.22 -0.19 0.96 1.05 0.00 0.00 175.02 177.09 3epe s ILE 111 N 0.49 2.14 0.13 10.11 -4.36 -0.38 -1.54 121.20 127.80 3epe s ILE 111 Ca 0.02 -2.23 -0.30 0.00 -0.26 0.00 0.00 60.65 57.87 3epe s ILE 111 Cb -0.13 -2.13 -0.07 0.00 1.25 0.00 0.00 42.46 41.38 3epe s ILE 111 CO 0.01 -0.41 1.21 -0.75 0.24 0.00 0.00 174.94 175.24 3epe s LYS 112 N -3.34 4.46 0.16 0.37 2.47 -1.26 -1.56 119.74 121.03 3epe s LYS 112 Ca 0.24 1.85 -0.34 0.00 -1.56 0.00 0.00 55.97 56.17 3epe s LYS 112 Cb -0.04 -3.28 -0.16 0.00 -1.46 0.00 0.00 37.83 32.89 3epe s LYS 112 CO 0.11 -0.18 1.23 1.63 0.16 0.00 0.00 175.35 178.30 3epe n LYS 113 N 3.16 1.25 0.00 4.03 5.02 0.27 -1.78 118.16 130.11 3epe n LYS 113 Ca 0.07 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 3epe n LYS 113 Cb 0.45 -1.99 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 3epe n LYS 113 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3epe n GLY 114 N 2.17 0.54 3.70 0.72 0.00 -1.26 -4.96 105.19 106.09 3epe n GLY 114 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3epe n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3epe s THR 115 N -2.15 2.76 -1.31 2.61 2.01 -0.74 -4.89 115.64 113.93 3epe s THR 115 Ca 0.00 0.39 -0.13 0.00 0.31 0.00 0.00 61.69 62.26 3epe s THR 115 Cb 0.00 -3.25 -0.05 0.00 0.01 0.00 0.00 72.50 69.21 3epe s THR 115 CO 0.00 0.01 2.39 -0.81 -0.69 0.00 0.00 174.62 175.53 3epe n PRO 116 N 4.91 2.77 -3.79 4.92 -0.04 -1.26 -4.80 135.00 137.71 3epe n PRO 116 Ca 0.15 -2.15 -0.14 0.00 -0.04 0.00 0.00 63.50 61.32 3epe n PRO 116 Cb 0.39 -2.93 -0.14 0.00 -0.04 0.00 0.00 33.50 30.78 3epe n PRO 116 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3epe s ILE 117 N 3.20 -0.04 0.00 0.52 -1.09 -1.26 -5.01 121.20 117.53 3epe s ILE 117 Ca 0.55 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 59.10 3epe s ILE 117 Cb 0.15 -0.15 0.00 0.00 -1.58 0.00 0.00 42.46 40.87 3epe s ILE 117 CO -0.04 0.05 0.37 -1.84 -1.23 0.00 0.00 174.94 172.25 3epe n GLU 118 N 3.82 0.15 -3.51 2.79 0.28 -1.26 -4.93 120.64 117.98 3epe n GLU 118 Ca -0.22 -0.43 -0.10 0.00 -0.16 0.00 0.00 57.16 56.24 3epe n GLU 118 Cb 0.54 -0.69 -0.02 0.00 1.43 0.00 0.00 31.44 32.70 3epe n GLU 118 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3epe s SER 119 N -0.13 -0.45 0.23 -1.84 1.04 -1.26 -3.04 113.70 108.25 3epe s SER 119 Ca 0.00 -0.09 -0.06 0.00 0.48 0.00 0.00 55.95 56.28 3epe s SER 119 Cb 0.00 0.54 0.32 0.00 0.10 0.00 0.00 66.02 66.98 3epe s SER 119 CO 0.00 -0.90 1.82 0.00 0.98 0.00 0.00 173.24 175.14 3epe h ALA 120 N 2.00 1.09 -0.77 5.32 0.00 -1.94 -1.83 119.26 123.12 3epe h ALA 120 Ca -0.28 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.69 3epe h ALA 120 Cb 1.28 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 3epe h ALA 120 CO 0.33 0.15 0.51 0.93 0.00 0.00 0.00 179.25 181.17 3epe h GLU 121 N 0.83 0.87 -0.45 0.00 3.07 -1.96 -0.83 114.58 116.11 3epe h GLU 121 Ca 0.36 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.15 3epe h GLU 121 Cb 0.23 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 3epe h GLU 121 CO -0.20 0.57 0.21 -0.44 -1.40 0.00 0.00 179.01 177.76 3epe h ASP 122 N 0.89 0.59 -0.39 1.42 3.45 -1.74 -2.62 116.42 118.01 3epe h ASP 122 Ca 0.32 -0.13 -0.02 0.00 0.43 0.00 0.00 57.03 57.63 3epe h ASP 122 Cb 0.14 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.74 3epe h ASP 122 CO -0.10 0.55 0.18 -0.07 -1.57 0.00 0.00 179.24 178.23 3epe h LEU 123 N 0.58 0.53 -1.25 1.55 3.38 -0.94 -3.26 115.31 115.89 3epe h LEU 123 Ca 0.15 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3epe h LEU 123 Cb 0.12 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3epe h LEU 123 CO -0.02 0.52 -0.28 0.00 0.09 0.00 0.00 178.44 178.75 3epe h ALA 124 N 1.02 1.12 -0.18 1.53 0.00 -1.06 -2.98 119.26 118.70 3epe h ALA 124 Ca 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3epe h ALA 124 Cb 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3epe h ALA 124 CO -0.01 0.35 0.00 0.36 0.00 0.00 0.00 179.25 179.95 3epe n LYS 125 N -3.60 1.76 -4.19 0.00 2.85 -1.00 -4.92 118.16 109.06 3epe n LYS 125 Ca -0.01 -1.14 -0.12 0.00 -1.05 0.00 0.00 58.31 55.99 3epe n LYS 125 Cb 0.41 -1.39 -0.10 0.00 -0.65 0.00 0.00 35.03 33.30 3epe n LYS 125 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 3epe s GLN 126 N -1.76 1.08 0.00 -1.58 1.03 -1.13 -5.06 119.66 112.23 3epe s GLN 126 Ca 0.32 -1.54 0.00 0.00 0.04 0.00 0.00 55.36 54.18 3epe s GLN 126 Cb 0.17 0.12 0.00 0.00 0.03 0.00 0.00 33.01 33.33 3epe s GLN 126 CO 0.26 -0.28 0.18 0.25 -2.54 0.00 0.00 175.29 173.16 3epe n THR 127 N -0.20 0.00 0.17 3.63 -2.24 -1.26 -4.80 114.28 109.57 3epe n THR 127 Ca -0.03 -0.21 0.01 0.00 -2.27 0.00 0.00 64.05 61.55 3epe n THR 127 Cb 0.65 1.49 0.28 0.00 -2.10 0.00 0.00 70.33 70.65 3epe n THR 127 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3epe h GLU 128 N 0.00 0.00 -5.00 -0.78 4.39 -1.97 -3.41 114.58 107.82 3epe h GLU 128 Ca 0.00 0.00 -0.66 0.00 0.34 0.00 0.00 59.36 59.04 3epe h GLU 128 Cb 0.25 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 28.61 3epe h GLU 128 CO 0.00 0.47 -0.73 0.42 -1.16 0.00 0.00 179.01 178.01 3epe s ILE 129 N -3.96 3.28 0.71 3.13 1.01 -1.26 -4.88 121.20 119.24 3epe s ILE 129 Ca -0.02 -0.53 -0.11 0.00 0.00 0.00 0.00 60.65 59.98 3epe s ILE 129 Cb 0.14 -2.49 0.02 0.00 0.01 0.00 0.00 42.46 40.13 3epe s ILE 129 CO 0.74 0.42 1.10 0.00 0.00 0.00 0.00 174.94 177.20 3epe s ALA 130 N 1.47 2.83 0.06 9.38 0.00 -0.07 -4.91 121.76 130.52 3epe s ALA 130 Ca 0.06 -0.32 -0.25 0.00 0.00 0.00 0.00 51.96 51.45 3epe s ALA 130 Cb -0.14 -3.04 0.06 0.00 0.00 0.00 0.00 23.12 20.01 3epe s ALA 130 CO -0.04 -1.19 0.59 1.52 0.00 0.00 0.00 175.76 176.63 3epe s TYR 131 N -3.34 -0.52 0.00 0.00 1.13 -1.26 -1.10 117.35 112.26 3epe s TYR 131 Ca 0.58 0.57 0.00 0.00 -1.41 0.00 0.00 57.07 56.82 3epe s TYR 131 Cb -0.11 0.43 0.00 0.00 -1.10 0.00 0.00 41.96 41.18 3epe s TYR 131 CO 0.52 -0.71 0.00 0.41 -2.51 0.00 0.00 175.55 173.26 3epe n GLY 132 N 0.24 2.75 3.59 5.49 0.00 -0.97 -4.84 105.19 111.46 3epe n GLY 132 Ca -0.18 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 3epe n GLY 132 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3epe s THR 133 N -2.78 0.00 0.26 2.61 -1.32 -1.02 -0.66 115.64 112.73 3epe s THR 133 Ca 0.00 -1.41 -0.30 0.00 -1.21 0.00 0.00 61.69 58.78 3epe s THR 133 Cb 0.00 -2.39 -0.10 0.00 -1.51 0.00 0.00 72.50 68.51 3epe s THR 133 CO 0.00 0.00 1.32 -0.22 -2.21 0.00 0.00 174.62 173.51 3epe s LEU 134 N -3.08 4.42 0.52 9.08 2.96 -1.26 -1.66 118.68 129.66 3epe s LEU 134 Ca 0.24 2.54 -0.19 0.00 -0.22 0.00 0.00 54.13 56.49 3epe s LEU 134 Cb -0.01 -3.63 -0.07 0.00 0.50 0.00 0.00 46.19 42.98 3epe s LEU 134 CO 0.12 -0.54 1.08 -0.62 -1.32 0.00 0.00 176.35 175.07 3epe s ASP 135 N -0.01 6.02 -1.49 3.68 3.68 -0.19 -4.17 116.67 124.18 3epe s ASP 135 Ca 0.54 2.01 0.00 0.00 2.13 0.00 0.00 52.55 57.23 3epe s ASP 135 Cb -0.38 -2.57 0.00 0.00 -1.45 0.00 0.00 42.92 38.52 3epe s ASP 135 CO 0.44 -1.01 0.00 -1.20 0.13 0.00 0.00 175.17 173.54 3epe n SER 136 N -1.23 -4.87 -3.16 -0.34 7.64 -1.26 -4.86 113.62 105.53 3epe n SER 136 Ca 0.10 0.11 -0.17 0.00 1.01 0.00 0.00 58.87 59.92 3epe n SER 136 Cb 0.52 -3.93 -0.05 0.00 -1.01 0.00 0.00 64.21 59.74 3epe n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3epe n GLY 137 N -1.01 3.55 0.15 0.23 0.00 -1.26 -3.12 105.19 103.75 3epe n GLY 137 Ca -0.18 -2.08 0.02 0.00 0.00 0.00 0.00 46.02 43.77 3epe n GLY 137 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3epe h SER 138 N 1.06 0.00 -0.32 1.61 4.64 -1.91 -2.93 113.55 115.70 3epe h SER 138 Ca -0.22 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.04 3epe h SER 138 Cb 0.82 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 3epe h SER 138 CO 0.35 0.53 -0.03 0.74 -0.87 0.00 0.00 176.83 177.54 3epe h THR 139 N 0.00 1.27 -0.55 2.95 2.02 -1.97 0.54 112.91 117.17 3epe h THR 139 Ca -0.01 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.12 3epe h THR 139 Cb 1.07 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.76 3epe h THR 139 CO 0.07 0.33 0.27 0.50 0.37 0.00 0.00 175.52 177.07 3epe h LYS 140 N 0.37 0.79 -0.88 6.66 3.64 -1.72 -2.37 116.57 123.08 3epe h LYS 140 Ca 0.09 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3epe h LYS 140 Cb 0.50 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 3epe h LYS 140 CO 0.02 0.65 0.45 1.49 -2.27 0.00 0.00 179.45 179.79 3epe h GLU 141 N 0.75 1.25 -0.34 1.90 4.57 -1.38 -1.46 114.58 119.86 3epe h GLU 141 Ca 0.19 -0.17 0.07 0.00 -1.18 0.00 0.00 59.36 58.28 3epe h GLU 141 Cb 0.11 -0.23 -0.07 0.00 -0.16 0.00 0.00 28.75 28.39 3epe h GLU 141 CO -0.03 0.93 -0.14 0.35 -1.18 0.00 0.00 179.01 178.95 3epe h PHE 142 N 1.24 -0.34 -0.35 0.92 3.57 -0.38 -0.21 116.94 121.40 3epe h PHE 142 Ca 0.31 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.73 3epe h PHE 142 Cb 0.08 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 3epe h PHE 142 CO 0.01 -0.21 -0.23 0.74 -2.23 0.00 0.00 178.31 176.39 3epe h PHE 143 N -0.08 0.91 -0.81 0.41 0.04 -1.22 -1.60 116.94 114.60 3epe h PHE 143 Ca 0.17 -0.24 0.07 0.00 2.80 0.00 0.00 57.97 60.77 3epe h PHE 143 Cb 0.34 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 38.23 3epe h PHE 143 CO -0.36 1.00 0.53 -0.09 -0.60 0.00 0.00 178.31 178.78 3epe h ARG 144 N 0.56 0.83 0.00 1.51 2.43 -0.92 -3.15 114.38 115.63 3epe h ARG 144 Ca 0.07 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3epe h ARG 144 Cb 0.79 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3epe h ARG 144 CO 0.06 0.55 -1.17 0.54 -1.51 0.00 0.00 179.97 178.44 3epe n ARG 145 N -4.49 0.27 -1.85 0.20 5.12 -0.12 -4.99 116.66 110.80 3epe n ARG 145 Ca 0.12 -0.04 -0.41 0.00 -1.93 0.00 0.00 57.85 55.60 3epe n ARG 145 Cb 0.24 -1.55 -0.01 0.00 -1.16 0.00 0.00 32.46 29.98 3epe n ARG 145 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3epe s SER 146 N -3.77 6.41 0.00 0.55 0.15 -0.61 -4.92 113.70 111.52 3epe s SER 146 Ca 0.03 2.98 0.12 0.00 0.70 0.00 0.00 55.95 59.78 3epe s SER 146 Cb 0.15 -2.66 0.35 0.00 -1.71 0.00 0.00 66.02 62.14 3epe s SER 146 CO 0.83 -0.83 1.29 0.29 1.20 0.00 0.00 173.24 176.02 3epe n LYS 147 N 0.77 2.82 -3.26 5.44 4.01 -1.26 -4.57 118.16 122.11 3epe n LYS 147 Ca 0.02 -2.12 -0.39 0.00 -0.51 0.00 0.00 58.31 55.31 3epe n LYS 147 Cb 0.39 -1.31 -0.06 0.00 -0.51 0.00 0.00 35.03 33.54 3epe n LYS 147 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3epe s ILE 148 N -1.00 5.14 0.21 -0.18 1.01 -1.26 -4.96 121.20 120.15 3epe s ILE 148 Ca 0.26 0.99 -0.18 0.00 0.00 0.00 0.00 60.65 61.72 3epe s ILE 148 Cb 0.14 -3.84 0.20 0.00 0.01 0.00 0.00 42.46 38.96 3epe s ILE 148 CO 0.18 0.24 1.57 0.00 0.00 0.00 0.00 174.94 176.94 3epe h ALA 149 N 7.09 0.11 -0.72 9.38 0.00 -1.99 0.45 119.26 133.59 3epe h ALA 149 Ca -0.37 0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3epe h ALA 149 Cb 1.17 0.84 -0.04 0.00 0.00 0.00 0.00 17.79 19.76 3epe h ALA 149 CO 0.75 -0.62 0.47 -0.24 0.00 0.00 0.00 179.25 179.61 3epe h VAL 150 N -0.08 1.15 -0.04 0.00 3.04 -1.98 -0.84 116.25 117.49 3epe h VAL 150 Ca 0.30 -0.32 -0.20 0.00 -1.01 0.00 0.00 66.70 65.47 3epe h VAL 150 Cb 0.57 0.13 -0.00 0.00 -2.01 0.00 0.00 31.29 29.98 3epe h VAL 150 CO -0.81 0.17 -0.82 1.88 -1.01 0.00 0.00 177.57 176.97 3epe h TYR 151 N 0.93 0.52 -0.55 3.17 0.05 -1.65 -2.27 116.97 117.18 3epe h TYR 151 Ca 0.28 -0.26 0.05 0.00 0.05 0.00 0.00 58.73 58.85 3epe h TYR 151 Cb -0.05 -0.07 -0.05 0.00 1.01 0.00 0.00 36.73 37.57 3epe h TYR 151 CO -0.03 1.04 0.29 0.93 -1.05 0.00 0.00 178.16 179.34 3epe h GLU 152 N 0.23 0.54 -0.65 4.88 5.08 -0.64 0.08 114.58 124.10 3epe h GLU 152 Ca -0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3epe h GLU 152 Cb 1.43 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 3epe h GLU 152 CO 0.14 0.35 0.40 0.87 -1.00 0.00 0.00 179.01 179.78 3epe h LYS 153 N 0.55 0.87 -0.64 2.33 1.57 -0.98 -0.57 116.57 119.70 3epe h LYS 153 Ca 0.24 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.88 3epe h LYS 153 Cb 0.14 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3epe h LYS 153 CO -0.16 0.60 0.13 0.52 -0.57 0.00 0.00 179.45 179.97 3epe h MET 154 N 0.88 1.04 -0.48 3.15 2.86 -1.13 -2.35 114.93 118.90 3epe h MET 154 Ca 0.23 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 3epe h MET 154 Cb -0.05 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 3epe h MET 154 CO -0.05 0.96 0.14 2.35 1.06 0.00 0.00 176.91 181.37 3epe h TRP 155 N 0.96 0.79 -0.80 -0.22 2.91 -0.64 0.23 115.95 119.17 3epe h TRP 155 Ca 0.20 -0.09 0.01 0.00 1.13 0.00 0.00 58.89 60.14 3epe h TRP 155 Cb 0.40 -0.22 -0.04 0.00 -0.51 0.00 0.00 29.16 28.79 3epe h TRP 155 CO 0.03 0.70 0.52 1.15 -1.03 0.00 0.00 178.44 179.81 3epe h THR 156 N 0.64 1.21 0.27 2.65 2.02 -1.01 0.59 112.91 119.28 3epe h THR 156 Ca 0.15 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3epe h THR 156 Cb 0.29 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 3epe h THR 156 CO -0.00 0.21 -0.13 0.22 0.37 0.00 0.00 175.52 176.18 3epe h TYR 157 N 1.09 -0.34 -0.53 3.16 3.20 -1.27 -3.31 116.97 118.97 3epe h TYR 157 Ca 0.29 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.14 3epe h TYR 157 Cb -0.11 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 3epe h TYR 157 CO -0.01 -0.04 0.26 0.52 -1.64 0.00 0.00 178.16 177.25 3epe h MET 158 N -0.63 0.76 0.00 1.82 2.86 -0.54 -2.16 114.93 117.04 3epe h MET 158 Ca -0.04 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 3epe h MET 158 Cb 0.45 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 3epe h MET 158 CO 0.06 0.62 -0.04 0.07 1.06 0.00 0.00 176.91 178.68 3epe h ARG 159 N 0.72 0.00 -0.01 1.72 0.11 -1.02 -2.78 114.38 113.12 3epe h ARG 159 Ca 0.18 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.26 3epe h ARG 159 Cb 0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.18 3epe h ARG 159 CO -0.02 0.04 -0.15 0.43 0.10 0.00 0.00 179.97 180.37 3epe n SER 160 N -3.57 1.66 -4.75 0.08 7.64 -1.06 -5.02 113.62 108.59 3epe n SER 160 Ca -0.02 -1.33 -0.41 0.00 1.01 0.00 0.00 58.87 58.11 3epe n SER 160 Cb 0.15 0.27 -0.02 0.00 -1.01 0.00 0.00 64.21 63.60 3epe n SER 160 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3epe s ALA 161 N -1.35 3.61 -0.05 -0.43 0.00 -0.84 -5.03 121.76 117.67 3epe s ALA 161 Ca 0.12 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.43 3epe s ALA 161 Cb 0.10 -3.55 0.03 0.00 0.00 0.00 0.00 23.12 19.69 3epe s ALA 161 CO 0.25 -0.76 -0.01 -1.21 0.00 0.00 0.00 175.76 174.03 3epe s GLU 162 N -0.67 0.54 0.83 0.00 0.41 -1.26 -3.61 118.70 114.94 3epe s GLU 162 Ca 0.58 0.03 -0.12 0.00 -0.41 0.00 0.00 54.97 55.06 3epe s GLU 162 Cb -0.42 -0.73 0.09 0.00 -1.78 0.00 0.00 34.13 31.30 3epe s GLU 162 CO 0.46 -0.17 1.15 -1.25 -0.49 0.00 0.00 175.26 174.96 3epe s PRO 163 N 1.27 1.63 0.22 0.39 0.04 -1.26 -5.08 135.00 132.21 3epe s PRO 163 Ca -0.06 1.52 -0.31 0.00 0.04 0.00 0.00 61.00 62.19 3epe s PRO 163 Cb -0.13 -1.80 -0.15 0.00 0.04 0.00 0.00 34.50 32.46 3epe s PRO 163 CO -0.02 -2.17 1.18 0.45 0.04 0.00 0.00 177.00 176.47 3epe n SER 164 N -3.64 1.69 -1.02 6.66 2.88 -1.24 -4.89 113.62 114.06 3epe n SER 164 Ca 0.12 1.15 0.12 0.00 -1.33 0.00 0.00 58.87 58.93 3epe n SER 164 Cb 0.52 -1.29 0.17 0.00 -0.75 0.00 0.00 64.21 62.86 3epe n SER 164 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3epe n VAL 165 N 1.20 0.23 -3.56 2.46 0.24 -1.26 -4.90 118.33 112.74 3epe n VAL 165 Ca 0.12 -0.60 -0.36 0.00 -2.04 0.00 0.00 64.34 61.46 3epe n VAL 165 Cb 0.29 1.20 -0.07 0.00 -1.47 0.00 0.00 33.84 33.79 3epe n VAL 165 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3epe s PHE 166 N -1.77 3.45 0.14 6.34 0.08 -1.26 -2.43 117.98 122.54 3epe s PHE 166 Ca 0.33 0.56 0.05 0.00 0.12 0.00 0.00 56.93 57.99 3epe s PHE 166 Cb 0.21 -2.32 -0.04 0.00 -0.57 0.00 0.00 43.02 40.30 3epe s PHE 166 CO 0.31 0.24 0.12 0.95 -0.10 0.00 0.00 175.22 176.73 3epe s THR 167 N 0.48 4.47 0.27 0.64 -4.23 -0.67 -4.79 115.64 111.82 3epe s THR 167 Ca 0.15 -1.01 0.07 0.00 -1.18 0.00 0.00 61.69 59.72 3epe s THR 167 Cb -0.13 -3.25 -0.01 0.00 1.34 0.00 0.00 72.50 70.46 3epe s THR 167 CO 0.03 -0.05 1.63 -0.09 -0.54 0.00 0.00 174.62 175.61 3epe h ARG 168 N 2.64 0.16 -4.39 3.99 2.43 -1.93 -0.49 114.38 116.80 3epe h ARG 168 Ca -0.47 -0.10 -0.16 0.00 -0.81 0.00 0.00 59.98 58.44 3epe h ARG 168 Cb 1.19 0.01 -0.15 0.00 -0.42 0.00 0.00 29.97 30.60 3epe h ARG 168 CO 0.64 0.66 -0.69 0.95 -1.51 0.00 0.00 179.97 180.02 3epe s THR 169 N -3.87 0.40 0.16 0.20 -4.23 -1.26 -4.79 115.64 102.25 3epe s THR 169 Ca -0.03 -1.83 -0.14 0.00 -1.18 0.00 0.00 61.69 58.51 3epe s THR 169 Cb 0.13 -1.54 0.05 0.00 1.34 0.00 0.00 72.50 72.48 3epe s THR 169 CO 0.78 -0.93 1.80 0.74 -0.54 0.00 0.00 174.62 176.46 3epe h THR 170 N 3.14 1.15 -0.96 3.99 2.02 -1.95 -2.97 112.91 117.34 3epe h THR 170 Ca -0.34 -0.34 0.12 0.00 0.77 0.00 0.00 66.41 66.62 3epe h THR 170 Cb 1.15 0.47 -0.08 0.00 -1.74 0.00 0.00 68.15 67.96 3epe h THR 170 CO 0.65 0.15 0.61 0.00 0.37 0.00 0.00 175.52 177.30 3epe h ALA 171 N 1.15 1.60 -0.68 6.16 0.00 -1.97 -0.57 119.26 124.95 3epe h ALA 171 Ca 0.18 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3epe h ALA 171 Cb -0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3epe h ALA 171 CO -0.03 0.17 0.35 1.49 0.00 0.00 0.00 179.25 181.23 3epe h GLU 172 N 0.92 0.96 0.05 0.00 4.81 -1.95 0.63 114.58 120.01 3epe h GLU 172 Ca 0.47 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.57 3epe h GLU 172 Cb 0.49 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3epe h GLU 172 CO -0.23 0.74 -0.02 0.78 -0.73 0.00 0.00 179.01 179.55 3epe h GLY 173 N 0.93 -0.06 0.71 1.92 0.00 -1.01 -1.29 103.07 104.27 3epe h GLY 173 Ca 0.24 0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.63 3epe h GLY 173 CO -0.03 -0.02 0.15 -2.08 0.00 0.00 0.00 176.54 174.55 3epe h VAL 174 N -0.10 0.91 -0.85 4.60 2.07 -1.00 -1.61 116.25 120.27 3epe h VAL 174 Ca -0.01 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.44 3epe h VAL 174 Cb 0.08 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 3epe h VAL 174 CO 0.01 0.06 0.55 0.00 0.02 0.00 0.00 177.57 178.20 3epe h ALA 175 N 1.23 1.12 -0.56 1.67 0.00 -0.77 -0.73 119.26 121.22 3epe h ALA 175 Ca 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3epe h ALA 175 Cb 0.13 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3epe h ALA 175 CO -0.16 0.38 0.33 -0.09 0.00 0.00 0.00 179.25 179.71 3epe h ARG 176 N 1.06 0.77 0.04 0.00 2.43 -0.80 -0.98 114.38 116.90 3epe h ARG 176 Ca 0.34 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.44 3epe h ARG 176 Cb 0.01 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 3epe h ARG 176 CO -0.12 0.57 -0.09 0.28 -1.51 0.00 0.00 179.97 179.11 3epe h VAL 177 N 0.76 0.78 -0.57 0.20 2.07 -0.79 -2.70 116.25 116.00 3epe h VAL 177 Ca 0.20 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.72 3epe h VAL 177 Cb 0.01 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3epe h VAL 177 CO -0.04 0.00 0.37 0.03 0.02 0.00 0.00 177.57 177.95 3epe h ARG 178 N -0.17 0.75 -0.01 1.57 3.08 -0.80 -2.83 114.38 115.97 3epe h ARG 178 Ca 0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3epe h ARG 178 Cb 0.19 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3epe h ARG 178 CO -0.06 0.51 -0.26 1.63 -1.07 0.00 0.00 179.97 180.71 3epe n LYS 179 N -4.44 1.05 -0.36 0.04 5.02 -0.40 -4.43 118.16 114.64 3epe n LYS 179 Ca 0.05 -0.69 0.11 0.00 -2.02 0.00 0.00 58.31 55.77 3epe n LYS 179 Cb 0.05 -1.49 0.31 0.00 -0.02 0.00 0.00 35.03 33.89 3epe n LYS 179 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3epe n SER 180 N -0.37 3.81 -3.34 4.39 7.64 -1.02 -4.95 113.62 119.78 3epe n SER 180 Ca 0.12 -2.00 -0.24 0.00 1.01 0.00 0.00 58.87 57.76 3epe n SER 180 Cb 0.38 -0.47 0.03 0.00 -1.01 0.00 0.00 64.21 63.14 3epe n SER 180 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3epe n LYS 181 N 1.59 -5.07 -0.68 1.43 5.02 -1.26 -1.18 118.16 118.01 3epe n LYS 181 Ca 0.24 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.26 3epe n LYS 181 Cb 0.60 -5.59 0.00 0.00 -0.02 0.00 0.00 35.03 30.02 3epe n LYS 181 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3epe n GLY 182 N -1.53 0.82 1.11 0.72 0.00 -1.26 -4.92 105.19 100.12 3epe n GLY 182 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.09 3epe n GLY 182 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3epe n LYS 183 N -2.09 2.44 -3.92 1.61 4.76 -0.32 -4.81 118.16 115.83 3epe n LYS 183 Ca 0.00 -2.19 -0.16 0.00 -2.87 0.00 0.00 58.31 53.09 3epe n LYS 183 Cb 0.00 -1.50 -0.16 0.00 -1.84 0.00 0.00 35.03 31.53 3epe n LYS 183 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3epe s PHE 184 N -1.44 0.24 0.22 2.13 2.19 -1.26 -0.89 117.98 119.18 3epe s PHE 184 Ca 0.40 0.01 0.12 0.00 0.33 0.00 0.00 56.93 57.78 3epe s PHE 184 Cb 0.22 -0.31 -0.05 0.00 -1.31 0.00 0.00 43.02 41.57 3epe s PHE 184 CO 0.31 -0.09 -0.22 0.00 1.83 0.00 0.00 175.22 177.04 3epe s ALA 185 N 0.78 2.59 -0.06 11.12 0.00 -0.26 -4.52 121.76 131.42 3epe s ALA 185 Ca -0.08 -1.72 0.03 0.00 0.00 0.00 0.00 51.96 50.19 3epe s ALA 185 Cb -0.11 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.72 3epe s ALA 185 CO -0.02 0.37 -0.13 0.12 0.00 0.00 0.00 175.76 176.10 3epe s PHE 186 N -2.00 1.46 -0.30 0.00 5.99 -0.59 -2.28 117.98 120.26 3epe s PHE 186 Ca 0.24 -0.50 -0.16 0.00 0.00 0.00 0.00 56.93 56.51 3epe s PHE 186 Cb -0.07 -1.05 -0.02 0.00 0.00 0.00 0.00 43.02 41.88 3epe s PHE 186 CO 0.12 -0.24 0.43 -0.51 -0.00 0.00 0.00 175.22 175.02 3epe s LEU 187 N 0.49 4.16 0.23 6.12 1.43 0.16 -0.77 118.68 130.51 3epe s LEU 187 Ca -0.11 0.19 -0.14 0.00 -1.03 0.00 0.00 54.13 53.04 3epe s LEU 187 Cb -0.14 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.59 3epe s LEU 187 CO 0.03 -0.29 0.49 -1.48 0.23 0.00 0.00 176.35 175.33 3epe s LEU 188 N 2.18 0.29 0.39 1.79 2.34 -0.58 -4.32 118.68 120.78 3epe s LEU 188 Ca 0.17 -0.80 -0.26 0.00 0.06 0.00 0.00 54.13 53.30 3epe s LEU 188 Cb -0.16 1.86 -0.09 0.00 -0.56 0.00 0.00 46.19 47.25 3epe s LEU 188 CO 0.11 -1.11 1.20 -1.61 -1.06 0.00 0.00 176.35 173.88 3epe s GLU 189 N -3.97 4.06 0.39 1.48 2.02 -1.26 0.25 118.70 121.67 3epe s GLU 189 Ca 0.18 1.92 0.16 0.00 0.02 0.00 0.00 54.97 57.25 3epe s GLU 189 Cb -0.01 -2.73 1.02 0.00 0.10 0.00 0.00 34.13 32.52 3epe s GLU 189 CO 0.05 -0.33 1.82 0.66 0.02 0.00 0.00 175.26 177.48 3epe h SER 190 N 2.71 0.49 0.35 -0.19 4.64 -1.12 -0.91 113.55 119.52 3epe h SER 190 Ca -0.49 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 60.88 3epe h SER 190 Cb 1.24 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3epe h SER 190 CO 0.63 0.17 -0.19 0.71 -0.87 0.00 0.00 176.83 177.27 3epe h THR 191 N 0.47 0.60 -0.68 2.95 1.35 -1.90 0.16 112.91 115.86 3epe h THR 191 Ca 0.52 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 66.31 3epe h THR 191 Cb 1.21 0.60 -0.03 0.00 -1.73 0.00 0.00 68.15 68.20 3epe h THR 191 CO -0.24 0.00 0.14 0.24 -0.25 0.00 0.00 175.52 175.41 3epe h MET 192 N -0.50 1.10 0.10 4.72 2.86 -1.72 -1.93 114.93 119.56 3epe h MET 192 Ca -0.04 -0.27 -0.00 0.00 -2.06 0.00 0.00 59.70 57.32 3epe h MET 192 Cb 0.40 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 3epe h MET 192 CO 0.06 0.99 -0.07 -0.97 1.06 0.00 0.00 176.91 177.97 3epe h ASN 193 N 1.04 -0.19 0.13 1.22 -0.73 -1.01 -1.95 115.58 114.10 3epe h ASN 193 Ca 0.21 0.01 -0.08 0.00 1.87 0.00 0.00 56.30 58.32 3epe h ASN 193 Cb 0.39 0.06 -0.01 0.00 0.27 0.00 0.00 38.32 39.03 3epe h ASN 193 CO 0.01 -0.12 -0.28 -0.33 -0.37 0.00 0.00 177.43 176.34 3epe h GLU 194 N -0.18 0.25 0.44 6.67 5.08 -0.64 -1.27 114.58 124.93 3epe h GLU 194 Ca -0.00 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3epe h GLU 194 Cb 0.16 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3epe h GLU 194 CO -0.00 0.51 -0.21 -0.92 -1.00 0.00 0.00 179.01 177.39 3epe h TYR 195 N 0.22 -0.54 -0.61 4.33 3.20 -1.19 -3.19 116.97 119.18 3epe h TYR 195 Ca 0.03 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.92 3epe h TYR 195 Cb 0.61 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.03 3epe h TYR 195 CO 0.01 -0.27 0.40 1.15 -1.64 0.00 0.00 178.16 177.81 3epe h THR 196 N -0.71 1.09 -0.11 1.81 2.02 -1.02 -1.30 112.91 114.69 3epe h THR 196 Ca -0.06 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 66.90 3epe h THR 196 Cb 0.51 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3epe h THR 196 CO 0.10 0.13 0.13 -0.08 0.37 0.00 0.00 175.52 176.17 3epe h GLU 197 N 0.73 0.00 -0.62 6.66 4.81 -1.23 -1.62 114.58 123.32 3epe h GLU 197 Ca 0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3epe h GLU 197 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 3epe h GLU 197 CO -0.06 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.26 3epe n GLN 198 N -3.80 3.56 -4.61 1.92 1.13 -0.49 -4.81 117.38 110.27 3epe n GLN 198 Ca -0.00 -2.82 -0.33 0.00 -1.94 0.00 0.00 57.00 51.91 3epe n GLN 198 Cb 0.23 -1.82 -0.11 0.00 0.11 0.00 0.00 30.24 28.65 3epe n GLN 198 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3epe s ARG 199 N -1.77 2.66 0.50 -1.09 1.81 -0.61 0.46 118.95 120.91 3epe s ARG 199 Ca 0.49 -0.62 -0.23 0.00 -1.72 0.00 0.00 55.73 53.65 3epe s ARG 199 Cb 0.31 -2.54 -0.07 0.00 -0.45 0.00 0.00 34.95 32.21 3epe s ARG 199 CO 0.24 0.64 1.37 1.63 -0.68 0.00 0.00 175.30 178.51 3epe n LYS 200 N 2.04 1.91 -0.32 3.54 5.02 -1.26 -1.20 118.16 127.89 3epe n LYS 200 Ca -0.17 0.69 0.01 0.00 -2.02 0.00 0.00 58.31 56.82 3epe n LYS 200 Cb 0.53 -2.58 0.13 0.00 -0.02 0.00 0.00 35.03 33.09 3epe n LYS 200 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3epe n PRO 201 N -0.63 2.24 -3.57 1.97 -0.04 -1.26 -4.96 135.00 128.74 3epe n PRO 201 Ca 0.08 -1.06 -0.21 0.00 -0.04 0.00 0.00 63.50 62.27 3epe n PRO 201 Cb 0.43 -1.73 0.07 0.00 -0.04 0.00 0.00 33.50 32.23 3epe n PRO 201 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3epe n ASP 203 N -3.06 1.88 -4.57 0.00 5.75 -1.26 -5.00 116.55 110.30 3epe n ASP 203 Ca -0.18 -1.55 -0.25 0.00 -0.01 0.00 0.00 54.79 52.80 3epe n ASP 203 Cb 0.63 -0.05 -0.09 0.00 -1.03 0.00 0.00 41.12 40.58 3epe n ASP 203 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3epe s THR 204 N -0.69 2.59 -0.18 2.12 -4.23 -1.26 -0.56 115.64 113.43 3epe s THR 204 Ca 0.09 -2.15 -0.19 0.00 -1.18 0.00 0.00 61.69 58.26 3epe s THR 204 Cb 0.05 -2.63 0.05 0.00 1.34 0.00 0.00 72.50 71.31 3epe s THR 204 CO 0.07 -0.28 0.53 -0.32 -0.54 0.00 0.00 174.62 174.08 3epe s MET 205 N -3.63 0.65 -0.02 3.99 1.75 -0.60 -4.67 119.30 116.78 3epe s MET 205 Ca 0.32 0.65 -0.27 0.00 -1.25 0.00 0.00 55.69 55.14 3epe s MET 205 Cb -0.02 0.31 -0.03 0.00 2.84 0.00 0.00 34.83 37.93 3epe s MET 205 CO 0.17 -0.10 0.86 0.21 -0.65 0.00 0.00 175.02 175.52 3epe s LYS 206 N 0.09 4.52 0.05 4.11 2.20 -1.26 -1.24 119.74 128.20 3epe s LYS 206 Ca -0.01 1.20 0.07 0.00 -0.36 0.00 0.00 55.97 56.86 3epe s LYS 206 Cb -0.04 -3.45 -0.02 0.00 -1.51 0.00 0.00 37.83 32.81 3epe s LYS 206 CO 0.02 0.02 -0.19 0.14 -0.36 0.00 0.00 175.35 174.98 3epe s VAL 207 N 0.83 1.51 0.13 4.02 -7.23 -0.84 -5.00 120.40 113.82 3epe s VAL 207 Ca 0.46 -1.16 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 3epe s VAL 207 Cb -0.20 -1.33 0.00 0.00 0.56 0.00 0.00 36.38 35.41 3epe s VAL 207 CO 0.24 0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.77 3epe n GLY 208 N 1.82 -2.06 3.93 2.32 0.00 -1.17 -4.06 105.19 105.97 3epe n GLY 208 Ca -0.18 -1.36 -0.27 0.00 0.00 0.00 0.00 46.02 44.22 3epe n GLY 208 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3epe s GLY 209 N -4.13 1.67 0.51 -0.02 0.00 -1.26 -4.92 107.32 99.18 3epe s GLY 209 Ca 0.00 -0.90 -0.20 0.00 0.00 0.00 0.00 44.72 43.62 3epe s GLY 209 CO 0.00 -0.45 1.08 -1.31 0.00 0.00 0.00 173.10 172.42 3epe s ASN 210 N -4.55 6.05 0.26 1.64 0.01 -1.26 -4.78 114.94 112.30 3epe s ASN 210 Ca 0.61 2.05 0.14 0.00 -0.71 0.00 0.00 52.86 54.95 3epe s ASN 210 Cb -0.10 -2.57 0.07 0.00 0.41 0.00 0.00 41.25 39.06 3epe s ASN 210 CO 0.46 -0.99 1.44 -0.07 -1.51 0.00 0.00 177.10 176.43 3epe h LEU 211 N 1.39 0.00 -8.44 0.60 4.07 -1.06 -3.48 115.31 108.39 3epe h LEU 211 Ca -0.50 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.22 3epe h LEU 211 Cb 1.24 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.92 3epe h LEU 211 CO 0.58 0.57 -0.08 1.51 -1.08 0.00 0.00 178.44 179.94 3epe s ASP 212 N -6.50 0.86 -0.09 -0.43 1.47 -1.26 -4.94 116.67 105.79 3epe s ASP 212 Ca 0.03 -1.48 -0.01 0.00 1.18 0.00 0.00 52.55 52.26 3epe s ASP 212 Cb 0.08 0.72 0.03 0.00 -0.34 0.00 0.00 42.92 43.42 3epe s ASP 212 CO 0.75 -1.42 0.00 -0.44 0.68 0.00 0.00 175.17 174.74 3epe s SER 213 N -3.23 1.75 0.00 2.11 0.01 -1.26 -4.06 113.70 109.02 3epe s SER 213 Ca 0.28 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.37 3epe s SER 213 Cb -0.02 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.74 3epe s SER 213 CO 0.20 -0.20 0.00 2.29 0.41 0.00 0.00 173.24 175.94 3epe n LYS 214 N 5.13 0.00 -3.77 12.44 2.85 0.27 -5.01 118.16 130.07 3epe n LYS 214 Ca -0.08 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.08 3epe n LYS 214 Cb 0.50 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.81 3epe n LYS 214 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3epe s GLY 215 N -0.67 -0.06 0.02 2.58 0.00 -1.26 -1.21 107.32 106.71 3epe s GLY 215 Ca 0.00 -0.28 -0.15 0.00 0.00 0.00 0.00 44.72 44.29 3epe s GLY 215 CO 0.00 -0.50 0.42 -0.19 0.00 0.00 0.00 173.10 172.84 3epe s TYR 216 N -3.41 3.72 0.14 1.90 2.02 -0.67 -1.10 117.35 119.95 3epe s TYR 216 Ca 0.01 1.01 0.07 0.00 -0.37 0.00 0.00 57.07 57.79 3epe s TYR 216 Cb 0.02 -2.30 -0.04 0.00 -0.40 0.00 0.00 41.96 39.24 3epe s TYR 216 CO -0.09 0.63 -0.15 0.20 -1.57 0.00 0.00 175.55 174.57 3epe s GLY 217 N -1.14 1.20 -0.11 0.71 0.00 -0.70 -0.94 107.32 106.35 3epe s GLY 217 Ca 0.25 -1.40 -0.29 0.00 0.00 0.00 0.00 44.72 43.28 3epe s GLY 217 CO 0.14 -1.46 1.00 0.14 0.00 0.00 0.00 173.10 172.92 3epe s VAL 218 N -2.25 4.79 0.01 1.40 1.01 -1.26 -4.52 120.40 119.58 3epe s VAL 218 Ca 0.13 2.02 0.02 0.00 0.00 0.00 0.00 61.98 64.14 3epe s VAL 218 Cb -0.04 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 3epe s VAL 218 CO 0.04 0.01 0.01 0.00 0.00 0.00 0.00 175.10 175.16 3epe s ALA 219 N 2.02 3.33 0.06 5.51 0.00 -0.53 -1.07 121.76 131.09 3epe s ALA 219 Ca 0.48 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.49 3epe s ALA 219 Cb -0.18 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 3epe s ALA 219 CO 0.17 0.66 -0.08 0.95 0.00 0.00 0.00 175.76 177.47 3epe s THR 220 N -1.14 0.62 0.62 0.00 -4.23 -0.57 -0.38 115.64 110.55 3epe s THR 220 Ca 0.21 -1.39 -0.17 0.00 -1.18 0.00 0.00 61.69 59.15 3epe s THR 220 Cb -0.12 -1.01 -0.02 0.00 1.34 0.00 0.00 72.50 72.69 3epe s THR 220 CO 0.12 -0.55 1.15 -2.84 -0.54 0.00 0.00 174.62 171.96 3epe s PRO 221 N -2.39 2.93 0.22 3.99 0.02 -1.26 -1.11 135.00 137.40 3epe s PRO 221 Ca -0.02 1.62 -0.32 0.00 0.02 0.00 0.00 61.00 62.30 3epe s PRO 221 Cb -0.05 -1.95 -0.14 0.00 0.02 0.00 0.00 34.50 32.39 3epe s PRO 221 CO -0.01 -1.19 1.35 1.63 -0.33 0.00 0.00 177.00 178.44 3epe n LYS 222 N -1.91 1.81 -0.55 5.54 4.76 -1.26 -2.10 118.16 124.45 3epe n LYS 222 Ca 0.12 0.64 0.00 0.00 -2.87 0.00 0.00 58.31 56.20 3epe n LYS 222 Cb 0.51 -2.26 0.00 0.00 -1.84 0.00 0.00 35.03 31.44 3epe n LYS 222 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3epe n GLY 223 N 2.14 0.77 3.75 0.72 0.00 -1.26 -5.03 105.19 106.28 3epe n GLY 223 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3epe n GLY 223 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3epe s SER 224 N -2.87 6.84 0.00 1.61 0.15 -0.89 -4.90 113.70 113.64 3epe s SER 224 Ca 0.00 2.50 0.16 0.00 0.70 0.00 0.00 55.95 59.31 3epe s SER 224 Cb 0.00 -2.62 0.77 0.00 -1.71 0.00 0.00 66.02 62.46 3epe s SER 224 CO 0.00 -0.54 1.46 -1.54 1.20 0.00 0.00 173.24 173.81 3epe n SER 225 N 2.18 0.00 0.03 5.45 3.41 -1.26 -2.79 113.62 120.64 3epe n SER 225 Ca 0.05 0.15 0.12 0.00 -0.26 0.00 0.00 58.87 58.93 3epe n SER 225 Cb 0.42 -0.33 0.24 0.00 -0.26 0.00 0.00 64.21 64.28 3epe n SER 225 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3epe n LEU 226 N -1.33 0.55 0.05 1.04 4.77 -1.26 -4.48 117.00 116.35 3epe n LEU 226 Ca 0.07 0.15 -0.12 0.00 -0.03 0.00 0.00 56.01 56.07 3epe n LEU 226 Cb 0.14 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 40.93 3epe n LEU 226 CO 0.13 0.03 0.61 -0.09 -1.33 0.00 0.00 177.39 176.74 3epe h ARG 227 N 0.00 -0.50 -0.05 3.23 2.43 -1.90 -0.53 114.38 117.06 3epe h ARG 227 Ca 0.00 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3epe h ARG 227 Cb 0.62 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.28 3epe h ARG 227 CO 0.00 -0.33 -0.08 1.15 -1.51 0.00 0.00 179.97 179.20 3epe h THR 228 N -0.51 1.41 -0.84 0.20 2.02 -1.84 -1.88 112.91 111.47 3epe h THR 228 Ca 0.06 -1.34 0.16 0.00 0.77 0.00 0.00 66.41 66.06 3epe h THR 228 Cb 0.61 2.18 -0.10 0.00 -1.74 0.00 0.00 68.15 69.10 3epe h THR 228 CO -0.31 0.37 0.39 -0.65 0.37 0.00 0.00 175.52 175.69 3epe h PRO 229 N -0.34 0.51 -0.37 6.66 0.11 -1.79 -0.81 132.00 135.97 3epe h PRO 229 Ca 0.00 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 3epe h PRO 229 Cb 0.64 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 3epe h PRO 229 CO 0.02 0.34 0.06 0.28 -0.21 0.00 0.00 178.00 178.49 3epe h VAL 230 N 0.53 1.24 -0.32 3.15 2.07 -1.03 -0.78 116.25 121.11 3epe h VAL 230 Ca 0.47 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 3epe h VAL 230 Cb 0.74 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3epe h VAL 230 CO -0.41 0.28 0.19 -1.13 0.02 0.00 0.00 177.57 176.52 3epe h ASN 231 N 0.45 0.39 -0.33 0.57 -1.24 -0.75 -1.07 115.58 113.59 3epe h ASN 231 Ca 0.11 -0.06 -0.07 0.00 0.71 0.00 0.00 56.30 56.99 3epe h ASN 231 Cb 0.35 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.29 3epe h ASN 231 CO 0.01 0.33 -0.03 -0.07 -1.29 0.00 0.00 177.43 176.38 3epe h LEU 232 N 0.40 0.68 -0.42 0.34 3.38 -1.10 -2.23 115.31 116.37 3epe h LEU 232 Ca 0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3epe h LEU 232 Cb 0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3epe h LEU 232 CO -0.02 0.77 0.19 0.00 0.09 0.00 0.00 178.44 179.47 3epe h ALA 233 N 1.31 0.55 -0.41 1.53 0.00 -0.76 -0.24 119.26 121.22 3epe h ALA 233 Ca 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3epe h ALA 233 Cb 0.46 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3epe h ALA 233 CO 0.02 0.12 0.23 0.28 0.00 0.00 0.00 179.25 179.90 3epe h VAL 234 N 0.54 1.15 -0.66 0.00 2.07 -1.03 -0.53 116.25 117.80 3epe h VAL 234 Ca 0.14 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3epe h VAL 234 Cb 0.14 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3epe h VAL 234 CO -0.02 0.16 0.36 -0.07 0.02 0.00 0.00 177.57 178.02 3epe h LEU 235 N 0.54 0.82 -0.41 2.57 3.38 -1.23 -0.07 115.31 120.91 3epe h LEU 235 Ca 0.15 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3epe h LEU 235 Cb 0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3epe h LEU 235 CO -0.02 0.68 0.26 0.50 0.09 0.00 0.00 178.44 179.94 3epe h LYS 236 N 0.90 0.56 -0.77 1.13 1.63 -0.76 -0.73 116.57 118.53 3epe h LYS 236 Ca 0.23 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.96 3epe h LYS 236 Cb 0.04 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.51 3epe h LYS 236 CO -0.04 0.40 0.38 -0.07 -3.45 0.00 0.00 179.45 176.67 3epe h LEU 237 N 0.55 1.01 0.40 5.20 3.38 -0.85 -0.15 115.31 124.85 3epe h LEU 237 Ca 0.15 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3epe h LEU 237 Cb -0.02 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 3epe h LEU 237 CO -0.03 0.85 -0.24 -1.28 0.09 0.00 0.00 178.44 177.83 3epe h SER 238 N 1.09 -0.60 0.57 -0.43 0.87 -0.80 -1.49 113.55 112.75 3epe h SER 238 Ca 0.27 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.81 3epe h SER 238 Cb 0.11 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 3epe h SER 238 CO -0.03 -0.39 -0.26 -0.33 -0.53 0.00 0.00 176.83 175.29 3epe h GLU 239 N -0.61 0.00 -0.00 2.24 5.08 -0.93 -2.25 114.58 118.11 3epe h GLU 239 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3epe h GLU 239 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3epe h GLU 239 CO 0.05 0.26 -0.04 0.00 -1.00 0.00 0.00 179.01 178.28 3epe n ALA 240 N -2.32 2.49 -0.81 3.43 0.00 -0.09 -4.91 120.51 118.30 3epe n ALA 240 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3epe n ALA 240 Cb 0.37 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3epe n ALA 240 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3epe n GLY 241 N 1.41 0.71 0.25 0.00 0.00 -0.85 -4.95 105.19 101.76 3epe n GLY 241 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 3epe n GLY 241 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3epe h VAL 242 N 0.00 1.28 -0.83 1.61 2.07 -1.49 -2.30 116.25 116.59 3epe h VAL 242 Ca 0.00 -1.60 0.01 0.00 0.82 0.00 0.00 66.70 65.93 3epe h VAL 242 Cb 0.00 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 3epe h VAL 242 CO 0.00 0.52 0.55 -0.07 0.02 0.00 0.00 177.57 178.59 3epe h LEU 243 N 0.66 0.96 -0.66 2.57 3.38 -1.82 -0.15 115.31 120.26 3epe h LEU 243 Ca 0.05 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3epe h LEU 243 Cb 0.99 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 3epe h LEU 243 CO 0.09 0.70 0.25 0.44 0.09 0.00 0.00 178.44 180.02 3epe h ASP 244 N 1.13 0.92 -0.49 -0.43 3.32 -1.84 -1.05 116.42 117.98 3epe h ASP 244 Ca 0.31 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 3epe h ASP 244 Cb -0.12 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.17 3epe h ASP 244 CO -0.06 0.85 0.22 0.50 -1.72 0.00 0.00 179.24 179.02 3epe h LYS 245 N 0.93 0.71 -0.62 3.56 3.64 -1.04 -1.27 116.57 122.49 3epe h LYS 245 Ca 0.22 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3epe h LYS 245 Cb 0.22 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3epe h LYS 245 CO -0.02 0.61 0.14 -0.07 -2.27 0.00 0.00 179.45 177.85 3epe h LEU 246 N 0.65 0.94 -0.31 5.20 3.38 -0.84 -0.33 115.31 124.00 3epe h LEU 246 Ca 0.17 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3epe h LEU 246 Cb 0.15 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3epe h LEU 246 CO -0.02 0.94 0.15 0.50 0.09 0.00 0.00 178.44 180.10 3epe h LYS 247 N 0.90 0.45 -0.90 1.13 3.64 -1.07 -2.30 116.57 118.42 3epe h LYS 247 Ca 0.19 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.56 3epe h LYS 247 Cb 0.37 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.05 3epe h LYS 247 CO 0.00 0.42 0.57 -0.91 -2.27 0.00 0.00 179.45 177.26 3epe h ASN 248 N 0.37 0.92 -0.34 4.20 2.35 -1.01 -0.75 115.58 121.32 3epe h ASN 248 Ca 0.11 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3epe h ASN 248 Cb 0.12 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3epe h ASN 248 CO -0.01 0.60 0.19 0.50 -1.65 0.00 0.00 177.43 177.06 3epe h LYS 249 N 1.06 0.37 0.00 0.81 3.64 -0.84 0.17 116.57 121.78 3epe h LYS 249 Ca 0.38 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3epe h LYS 249 Cb 0.11 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3epe h LYS 249 CO -0.15 0.25 -1.39 0.91 -2.27 0.00 0.00 179.45 176.79 3epe n TRP 250 N -4.91 0.57 -0.12 1.91 7.02 -0.89 -3.65 117.44 117.36 3epe n TRP 250 Ca 0.00 0.17 -0.24 0.00 -1.02 0.00 0.00 57.50 56.41 3epe n TRP 250 Cb 0.07 -0.76 -0.08 0.00 -2.42 0.00 0.00 31.31 28.11 3epe n TRP 250 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3epe n TRP 251 N -2.49 0.18 -0.06 -5.99 8.01 -0.31 -4.77 117.44 112.01 3epe n TRP 251 Ca -0.01 0.08 -0.08 0.00 -1.31 0.00 0.00 57.50 56.17 3epe n TRP 251 Cb 0.55 -0.91 -0.06 0.00 -2.01 0.00 0.00 31.31 28.89 3epe n TRP 251 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3epe n TYR 252 N -4.33 0.00 -0.23 -5.99 4.01 -0.79 -3.69 117.16 106.15 3epe n TYR 252 Ca -0.42 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.34 3epe n TYR 252 Cb 0.76 -0.48 0.26 0.00 -0.31 0.00 0.00 39.34 39.57 3epe n TYR 252 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3epe h ASP 253 N 0.00 0.84 -0.44 7.72 3.32 -0.86 -1.86 116.42 125.14 3epe h ASP 253 Ca -0.28 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3epe h ASP 253 Cb 1.45 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3epe h ASP 253 CO -0.04 0.59 0.00 0.29 -1.72 0.00 0.00 179.24 178.37 3epe n LYS 254 N -4.44 2.37 -1.75 3.56 5.02 -1.24 -4.98 118.16 116.69 3epe n LYS 254 Ca 0.09 -1.73 -0.40 0.00 -2.02 0.00 0.00 58.31 54.25 3epe n LYS 254 Cb 0.08 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.62 3epe n LYS 254 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3epe n GLY 255 N 1.05 0.92 0.08 0.72 0.00 -0.70 -4.96 105.19 102.31 3epe n GLY 255 Ca 0.16 0.18 0.01 0.00 0.00 0.00 0.00 46.02 46.37 3epe n GLY 255 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3epe n GLU 256 N -0.16 -0.01 0.00 1.61 1.02 0.17 -5.05 120.64 118.23 3epe n GLU 256 Ca 0.06 -0.80 0.03 0.00 -0.02 0.00 0.00 57.16 56.42 3epe n GLU 256 Cb 0.41 -1.04 0.02 0.00 -0.02 0.00 0.00 31.44 30.81 3epe n GLU 256 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31