#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 4.84 -0.24 12.58 1.01 -0.14 -4.86 120.40 133.59 3epe s VAL 2 Ca 0.00 1.90 -0.28 0.00 0.00 0.00 0.00 61.98 63.60 3epe s VAL 2 Cb 0.00 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 32.14 3epe s VAL 2 CO 0.00 0.05 0.99 -0.69 0.00 0.00 0.00 175.10 175.45 3epe s VAL 3 N 1.84 4.70 -0.37 2.92 1.01 -1.26 -0.56 120.40 128.68 3epe s VAL 3 Ca 0.45 1.89 -0.13 0.00 0.00 0.00 0.00 61.98 64.19 3epe s VAL 3 Cb -0.18 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 31.93 3epe s VAL 3 CO 0.18 -0.19 0.24 -0.69 0.00 0.00 0.00 175.10 174.64 3epe s VAL 4 N 3.16 5.03 0.19 2.92 1.01 -0.35 -0.52 120.40 131.83 3epe s VAL 4 Ca 0.42 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 3epe s VAL 4 Cb -0.15 -3.71 -0.08 0.00 0.00 0.00 0.00 36.38 32.44 3epe s VAL 4 CO 0.07 -0.16 0.90 0.28 0.00 0.00 0.00 175.10 176.19 3epe s THR 5 N 1.65 4.25 0.28 3.92 -1.32 0.80 -0.49 115.64 124.74 3epe s THR 5 Ca 0.05 1.98 -0.05 0.00 -1.21 0.00 0.00 61.69 62.46 3epe s THR 5 Cb -0.18 -4.28 0.02 0.00 -1.51 0.00 0.00 72.50 66.55 3epe s THR 5 CO 0.09 0.46 0.46 1.07 -2.21 0.00 0.00 174.62 174.48 3epe n THR 6 N 1.85 0.00 -4.32 5.08 5.66 -1.09 -2.19 114.28 119.28 3epe n THR 6 Ca -0.02 -1.19 -0.18 0.00 -3.05 0.00 0.00 64.05 59.61 3epe n THR 6 Cb 0.48 0.83 -0.14 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 -2.60 0.76 -0.68 1.09 2.07 -1.26 -1.07 121.20 119.51 3epe s ILE 7 Ca 0.19 -0.59 -0.26 0.00 -1.41 0.00 0.00 60.65 58.59 3epe s ILE 7 Cb -0.02 -0.67 -0.01 0.00 0.13 0.00 0.00 42.46 41.89 3epe s ILE 7 CO 0.14 0.09 1.77 -0.04 -1.91 0.00 0.00 174.94 174.99 3epe s MET 8 N -0.56 2.73 -0.14 3.50 -1.94 -1.26 -4.35 119.30 117.29 3epe s MET 8 Ca 0.01 0.33 -0.06 0.00 -1.71 0.00 0.00 55.69 54.27 3epe s MET 8 Cb -0.05 -4.46 0.06 0.00 2.01 0.00 0.00 34.83 32.40 3epe s MET 8 CO 0.00 -2.70 0.30 -2.00 -0.01 0.00 0.00 175.02 170.61 3epe s GLU 9 N 6.78 0.21 0.24 2.03 2.56 -0.90 -4.99 118.70 124.63 3epe s GLU 9 Ca 0.62 0.75 -0.30 0.00 0.00 0.00 0.00 54.97 56.04 3epe s GLU 9 Cb -0.11 0.01 -0.09 0.00 2.00 0.00 0.00 34.13 35.94 3epe s GLU 9 CO 0.17 -0.24 1.00 -1.12 -0.56 0.00 0.00 175.26 174.51 3epe s SER 10 N 2.09 7.50 -0.32 -1.70 0.01 -1.26 -0.29 113.70 119.73 3epe s SER 10 Ca -0.03 2.05 0.07 0.00 1.31 0.00 0.00 55.95 59.36 3epe s SER 10 Cb -0.11 -2.61 0.65 0.00 0.21 0.00 0.00 66.02 64.16 3epe s SER 10 CO -0.10 0.03 1.73 -0.81 0.41 0.00 0.00 173.24 174.51 3epe n PRO 11 N 1.52 3.11 -0.02 12.44 -0.04 -1.26 -4.93 135.00 145.82 3epe n PRO 11 Ca -0.01 -2.73 -0.13 0.00 -0.04 0.00 0.00 63.50 60.59 3epe n PRO 11 Cb 0.46 -2.11 -0.11 0.00 -0.04 0.00 0.00 33.50 31.71 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 2.01 -0.03 -3.23 0.54 0.05 -0.98 -0.25 116.97 115.08 3epe h TYR 12 Ca 0.33 -0.00 -0.33 0.00 0.05 0.00 0.00 58.73 58.78 3epe h TYR 12 Cb 2.32 0.01 -0.37 0.00 1.01 0.00 0.00 36.73 39.70 3epe h TYR 12 CO 1.24 0.63 -0.69 0.08 -1.05 0.00 0.00 178.16 178.37 3epe s VAL 13 N -3.26 -0.17 0.06 -2.88 1.01 -0.25 -0.66 120.40 114.25 3epe s VAL 13 Ca -0.16 0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.20 3epe s VAL 13 Cb -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 3epe s VAL 13 CO 0.63 0.15 -0.06 -0.04 0.00 0.00 0.00 175.10 175.79 3epe s MET 14 N 2.08 0.61 0.13 2.72 -1.94 0.67 -2.12 119.30 121.45 3epe s MET 14 Ca 0.02 -1.01 -0.31 0.00 -1.71 0.00 0.00 55.69 52.68 3epe s MET 14 Cb -0.12 -0.13 -0.09 0.00 2.01 0.00 0.00 34.83 36.50 3epe s MET 14 CO -0.04 -0.01 1.59 0.71 -0.01 0.00 0.00 175.02 177.25 3epe s TYR 15 N -2.55 2.86 0.42 -0.03 2.02 -1.26 -0.73 117.35 118.07 3epe s TYR 15 Ca -0.01 0.53 -0.23 0.00 -0.37 0.00 0.00 57.07 57.00 3epe s TYR 15 Cb -0.02 -3.93 -0.12 0.00 -0.40 0.00 0.00 41.96 37.49 3epe s TYR 15 CO -0.03 -3.53 0.70 1.63 -1.57 0.00 0.00 175.55 172.75 3epe n LYS 16 N 4.51 0.80 -1.58 -0.62 5.02 -0.41 -4.81 118.16 121.07 3epe n LYS 16 Ca 0.14 0.29 -0.56 0.00 -2.02 0.00 0.00 58.31 56.16 3epe n LYS 16 Cb 0.39 -1.68 -0.07 0.00 -0.02 0.00 0.00 35.03 33.65 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 0.40 0.63 -2.98 1.97 4.81 -1.26 -2.36 118.16 119.36 3epe n LYS 17 Ca 0.11 0.23 -0.21 0.00 -0.87 0.00 0.00 58.31 57.57 3epe n LYS 17 Cb 0.39 -1.81 0.03 0.00 0.02 0.00 0.00 35.03 33.67 3epe n LYS 17 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3epe n ASN 18 N 2.46 -5.85 0.18 3.14 5.03 -1.26 -4.87 115.26 114.10 3epe n ASN 18 Ca 0.21 -0.27 0.18 0.00 0.87 0.00 0.00 54.58 55.56 3epe n ASN 18 Cb 0.13 -4.66 0.76 0.00 -1.02 0.00 0.00 39.78 34.99 3epe n ASN 18 CO 0.00 0.00 0.00 1.12 -1.83 0.00 0.00 177.26 176.55 3epe h HIS 19 N -1.34 0.00 0.00 3.10 2.07 -1.77 0.50 115.15 117.72 3epe h HIS 19 Ca -0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.02 3epe h HIS 19 Cb 1.34 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.32 3epe h HIS 19 CO 0.49 0.00 0.00 0.93 -3.07 0.00 0.00 177.93 176.28 3epe h GLU 20 N 0.00 0.00 0.00 5.12 3.07 -1.89 -1.25 114.58 119.63 3epe h GLU 20 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 3epe h GLU 20 Cb 0.94 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 3epe h GLU 20 CO -0.00 0.00 -0.52 0.00 -1.40 0.00 0.00 179.01 177.09 3epe n MET 21 N -3.08 0.03 -3.56 2.33 0.00 0.17 -4.92 117.12 108.08 3epe n MET 21 Ca -0.01 0.01 -0.22 0.00 0.00 0.00 0.00 57.70 57.48 3epe n MET 21 Cb 0.22 -1.51 -0.01 0.00 0.00 0.00 0.00 33.22 31.92 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 -3.02 3.42 0.04 3.17 0.40 -0.47 -5.12 117.98 116.40 3epe s PHE 22 Ca 0.10 0.15 0.07 0.00 -0.60 0.00 0.00 56.93 56.65 3epe s PHE 22 Cb 0.17 -1.83 -0.03 0.00 0.51 0.00 0.00 43.02 41.84 3epe s PHE 22 CO 0.70 0.18 -0.19 -1.21 0.70 0.00 0.00 175.22 175.40 3epe s GLU 23 N -4.20 2.02 5.01 0.44 2.02 -1.26 -4.74 118.70 117.98 3epe s GLU 23 Ca 0.39 -1.01 0.00 0.00 0.02 0.00 0.00 54.97 54.37 3epe s GLU 23 Cb -0.09 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 31.98 3epe s GLU 23 CO 0.33 0.53 0.00 0.41 0.02 0.00 0.00 175.26 176.56 3epe n GLY 24 N 1.56 2.98 0.33 -1.39 0.00 -1.26 -2.06 105.19 105.35 3epe n GLY 24 Ca -0.16 -0.17 0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 2.58 0.01 0.00 1.61 2.35 -1.93 -2.30 115.58 117.91 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 0.01 0.00 0.47 -1.65 0.00 0.00 177.43 176.26 3epe n ASP 26 N -4.44 0.00 0.22 5.81 9.92 -0.88 -2.14 116.55 125.05 3epe n ASP 26 Ca 0.05 -0.86 0.12 0.00 -0.53 0.00 0.00 54.79 53.56 3epe n ASP 26 Cb 0.40 0.00 0.36 0.00 -0.64 0.00 0.00 41.12 41.25 3epe n ASP 26 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 3epe h LYS 27 N 0.00 0.00 -6.30 -1.24 1.57 -1.52 -3.44 116.57 105.65 3epe h LYS 27 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 3epe h LYS 27 Cb 0.00 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.20 3epe h LYS 27 CO 0.00 0.13 -0.66 0.71 -0.57 0.00 0.00 179.45 179.06 3epe s TYR 28 N -3.41 2.76 0.09 -1.35 2.02 -0.91 -1.29 117.35 115.25 3epe s TYR 28 Ca 0.03 -0.19 -0.11 0.00 -0.37 0.00 0.00 57.07 56.44 3epe s TYR 28 Cb 0.08 -1.29 0.01 0.00 -0.40 0.00 0.00 41.96 40.36 3epe s TYR 28 CO 0.64 0.56 0.25 -1.83 -1.57 0.00 0.00 175.55 173.59 3epe s GLU 29 N -3.26 0.87 0.00 -0.62 -1.05 0.09 -4.75 118.70 109.98 3epe s GLU 29 Ca 0.29 -0.83 0.00 0.00 -0.15 0.00 0.00 54.97 54.28 3epe s GLU 29 Cb -0.08 0.36 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 3epe s GLU 29 CO 0.19 -0.29 0.00 0.41 0.95 0.00 0.00 175.26 176.52 3epe n GLY 30 N 0.04 1.70 0.23 -3.83 0.00 -1.26 -0.24 105.19 101.83 3epe n GLY 30 Ca -0.16 -1.78 -0.00 0.00 0.00 0.00 0.00 46.02 44.07 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 0.41 0.00 1.61 5.03 -0.63 -1.06 116.97 122.33 3epe h TYR 31 Ca 0.00 0.03 -0.11 0.00 2.58 0.00 0.00 58.73 61.23 3epe h TYR 31 Cb 0.00 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.17 3epe h TYR 31 CO 0.00 0.12 -0.50 0.00 -1.32 0.00 0.00 178.16 176.45 3epe h VAL 33 N 0.00 1.21 -0.54 0.00 2.07 -1.39 -0.83 116.25 116.77 3epe h VAL 33 Ca -0.01 -0.71 -0.09 0.00 0.82 0.00 0.00 66.70 66.71 3epe h VAL 33 Cb 1.34 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 3epe h VAL 33 CO 0.07 0.24 -0.03 0.44 0.02 0.00 0.00 177.57 178.30 3epe h ASP 34 N 0.37 0.96 -0.62 0.57 3.45 -0.98 -2.24 116.42 117.93 3epe h ASP 34 Ca 0.10 -0.32 -0.01 0.00 0.43 0.00 0.00 57.03 57.23 3epe h ASP 34 Cb 0.28 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.76 3epe h ASP 34 CO -0.00 1.05 0.36 0.25 -1.57 0.00 0.00 179.24 179.33 3epe h LEU 35 N 0.85 0.76 -0.69 1.55 5.85 -0.81 -1.17 115.31 121.65 3epe h LEU 35 Ca 0.15 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3epe h LEU 35 Cb 0.58 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3epe h LEU 35 CO 0.03 0.61 0.43 0.00 -0.34 0.00 0.00 178.44 179.18 3epe h ALA 36 N 1.18 0.87 -0.51 1.25 0.00 -1.01 0.01 119.26 121.06 3epe h ALA 36 Ca 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3epe h ALA 36 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3epe h ALA 36 CO -0.04 0.32 0.27 1.03 0.00 0.00 0.00 179.25 180.83 3epe h SER 37 N 0.93 0.64 -0.41 0.00 0.87 -1.10 -0.05 113.55 114.44 3epe h SER 37 Ca 0.25 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.67 3epe h SER 37 Cb -0.07 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 3epe h SER 37 CO -0.05 0.56 0.12 -0.33 -0.53 0.00 0.00 176.83 176.60 3epe h GLU 38 N 0.67 0.65 0.04 2.24 4.39 -0.87 -1.74 114.58 119.96 3epe h GLU 38 Ca 0.18 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 3epe h GLU 38 Cb 0.07 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3epe h GLU 38 CO -0.03 0.65 -0.02 0.82 -1.16 0.00 0.00 179.01 179.27 3epe h ILE 39 N 0.52 1.12 -0.84 3.13 2.04 -0.87 -2.37 117.51 120.24 3epe h ILE 39 Ca 0.13 -0.52 0.12 0.00 1.00 0.00 0.00 64.86 65.59 3epe h ILE 39 Cb 0.28 1.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.76 3epe h ILE 39 CO -0.00 0.13 0.55 0.00 0.00 0.00 0.00 178.15 178.82 3epe h ALA 40 N 0.66 1.79 -0.57 1.87 0.00 -0.97 -0.48 119.26 121.56 3epe h ALA 40 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3epe h ALA 40 Cb 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3epe h ALA 40 CO 0.01 0.02 -0.07 -0.22 0.00 0.00 0.00 179.25 178.98 3epe h LYS 41 N 0.72 1.05 -0.18 0.00 3.64 -1.18 0.11 116.57 120.72 3epe h LYS 41 Ca 0.40 -0.37 -0.19 0.00 -1.27 0.00 0.00 60.65 59.22 3epe h LYS 41 Cb 0.56 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3epe h LYS 41 CO -0.17 1.07 -0.65 0.45 -2.27 0.00 0.00 179.45 177.89 3epe h HIS 42 N 0.94 0.88 -0.01 1.91 3.86 -0.73 -3.32 115.15 118.69 3epe h HIS 42 Ca 0.15 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 3epe h HIS 42 Cb 0.65 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.96 3epe h HIS 42 CO 0.04 1.14 -0.75 0.44 0.86 0.00 0.00 177.93 179.66 3epe n ILE 43 N -3.94 0.00 -2.61 2.45 -5.35 -0.30 -5.01 119.36 104.61 3epe n ILE 43 Ca -0.05 -0.12 -0.08 0.00 -0.27 0.00 0.00 62.75 62.22 3epe n ILE 43 Cb 0.67 1.12 0.04 0.00 -1.74 0.00 0.00 39.64 39.74 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 1.46 -0.05 3.34 3.28 0.00 0.33 -5.06 105.19 108.50 3epe n GLY 44 Ca 0.06 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.19 1.98 0.15 -0.61 -4.36 -0.97 -5.07 121.20 109.13 3epe s ILE 45 Ca 0.10 -1.68 -0.13 0.00 -0.26 0.00 0.00 60.65 58.67 3epe s ILE 45 Cb -0.01 -1.79 -0.07 0.00 1.25 0.00 0.00 42.46 41.84 3epe s ILE 45 CO 0.38 -0.02 0.54 -0.54 0.24 0.00 0.00 174.94 175.54 3epe s LYS 46 N -2.06 3.94 0.05 0.37 1.02 -1.26 -4.73 119.74 117.06 3epe s LYS 46 Ca 0.11 0.44 -0.06 0.00 0.02 0.00 0.00 55.97 56.48 3epe s LYS 46 Cb -0.10 -2.90 -0.01 0.00 -0.52 0.00 0.00 37.83 34.30 3epe s LYS 46 CO 0.05 0.47 0.11 1.52 -0.92 0.00 0.00 175.35 176.58 3epe s TYR 47 N -1.50 0.20 -0.13 3.18 1.13 -1.26 -0.97 117.35 118.01 3epe s TYR 47 Ca 0.38 -0.53 -0.00 0.00 -1.41 0.00 0.00 57.07 55.51 3epe s TYR 47 Cb -0.14 -0.14 0.02 0.00 -1.10 0.00 0.00 41.96 40.60 3epe s TYR 47 CO 0.19 -0.40 -0.10 0.21 -2.51 0.00 0.00 175.55 172.94 3epe s LYS 48 N -2.90 1.83 0.08 -3.49 2.20 0.28 -4.86 119.74 112.87 3epe s LYS 48 Ca -0.02 -0.37 -0.31 0.00 -0.36 0.00 0.00 55.97 54.91 3epe s LYS 48 Cb 0.01 -1.79 -0.07 0.00 -1.51 0.00 0.00 37.83 34.47 3epe s LYS 48 CO -0.06 -0.25 1.32 0.42 -0.36 0.00 0.00 175.35 176.42 3epe s ILE 49 N 1.62 3.61 -0.18 5.43 1.01 -1.26 -1.21 121.20 130.21 3epe s ILE 49 Ca 0.05 1.14 -0.01 0.00 0.00 0.00 0.00 60.65 61.83 3epe s ILE 49 Cb -0.13 -3.73 0.05 0.00 0.01 0.00 0.00 42.46 38.66 3epe s ILE 49 CO -0.09 0.08 -0.02 0.00 0.00 0.00 0.00 174.94 174.91 3epe s ALA 50 N 1.24 1.35 0.14 9.38 0.00 0.35 -4.88 121.76 129.34 3epe s ALA 50 Ca 0.62 -0.83 -0.31 0.00 0.00 0.00 0.00 51.96 51.44 3epe s ALA 50 Cb -0.34 -1.18 -0.09 0.00 0.00 0.00 0.00 23.12 21.52 3epe s ALA 50 CO 0.29 -0.98 1.44 0.42 0.00 0.00 0.00 175.76 176.94 3epe s ILE 51 N 1.69 3.05 -0.16 0.00 -1.09 -1.26 -2.65 121.20 120.78 3epe s ILE 51 Ca -0.01 0.77 -0.35 0.00 -2.23 0.00 0.00 60.65 58.82 3epe s ILE 51 Cb -0.16 -3.49 -0.12 0.00 -1.58 0.00 0.00 42.46 37.10 3epe s ILE 51 CO -0.07 0.07 1.89 0.55 -1.23 0.00 0.00 174.94 176.14 3epe n VAL 52 N 3.80 0.49 -0.27 2.92 3.14 -0.23 -4.88 118.33 123.30 3epe n VAL 52 Ca 0.12 -0.12 0.06 0.00 -2.96 0.00 0.00 64.34 61.44 3epe n VAL 52 Cb 0.41 -1.73 0.19 0.00 -1.06 0.00 0.00 33.84 31.65 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 9.20 0.50 -0.00 1.45 0.11 -1.91 -2.10 132.00 139.24 3epe h PRO 53 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3epe h PRO 53 Cb 1.29 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3epe h PRO 53 CO 0.96 0.33 -0.18 -0.40 -0.21 0.00 0.00 178.00 178.50 3epe n ASP 54 N -4.95 0.35 -0.61 -2.05 3.85 -1.26 -4.94 116.55 106.94 3epe n ASP 54 Ca 0.15 -0.19 -0.07 0.00 -0.71 0.00 0.00 54.79 53.96 3epe n ASP 54 Cb 0.41 -0.11 -0.03 0.00 -1.35 0.00 0.00 41.12 40.04 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 1.40 0.81 3.64 6.12 0.00 -0.79 -5.00 105.19 111.37 3epe n GLY 55 Ca 0.10 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.91 2.32 -0.02 1.61 1.02 -1.26 -4.95 119.74 115.55 3epe s LYS 56 Ca 0.00 -1.08 -0.21 0.00 0.02 0.00 0.00 55.97 54.70 3epe s LYS 56 Cb 0.00 -2.34 -0.14 0.00 -0.52 0.00 0.00 37.83 34.83 3epe s LYS 56 CO 0.00 0.47 0.93 1.88 -0.92 0.00 0.00 175.35 177.71 3epe h TYR 57 N 2.98 -0.43 0.00 3.18 -1.99 -1.88 -2.33 116.97 116.51 3epe h TYR 57 Ca -0.47 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.25 3epe h TYR 57 Cb 1.19 0.14 0.00 0.00 2.00 0.00 0.00 36.73 40.06 3epe h TYR 57 CO 0.62 -0.11 0.00 0.41 -0.00 0.00 0.00 178.16 179.09 3epe n GLY 58 N 0.13 3.25 3.07 3.88 0.00 -0.90 -1.42 105.19 113.21 3epe n GLY 58 Ca -0.08 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 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 0.25 -0.26 4.61 0.00 -1.25 -4.67 121.76 120.44 3epe s ALA 59 Ca 0.00 -0.89 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 3epe s ALA 59 Cb 0.00 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 3epe s ALA 59 CO 0.00 -0.32 0.31 0.50 0.00 0.00 0.00 175.76 176.25 3epe s ARG 60 N -3.04 4.03 0.14 0.00 3.52 -1.26 -1.46 118.95 120.88 3epe s ARG 60 Ca -0.01 -0.06 -0.31 0.00 -0.13 0.00 0.00 55.73 55.21 3epe s ARG 60 Cb 0.01 -3.63 -0.10 0.00 -1.56 0.00 0.00 34.95 29.68 3epe s ARG 60 CO -0.07 -0.18 1.68 0.34 -0.81 0.00 0.00 175.30 176.25 3epe s ASP 61 N 1.52 6.52 0.44 -2.12 -1.08 -0.98 -4.90 116.67 116.07 3epe s ASP 61 Ca 0.13 2.66 0.13 0.00 -0.52 0.00 0.00 52.55 54.94 3epe s ASP 61 Cb -0.15 -2.58 0.96 0.00 -1.46 0.00 0.00 42.92 39.69 3epe s ASP 61 CO 0.09 -0.91 1.99 0.00 0.52 0.00 0.00 175.17 176.87 3epe h ALA 62 N 7.61 1.68 0.00 3.66 0.00 -1.95 0.11 119.26 130.37 3epe h ALA 62 Ca -0.43 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3epe h ALA 62 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3epe h ALA 62 CO 0.93 0.24 -0.22 0.22 0.00 0.00 0.00 179.25 180.42 3epe h ASP 63 N 0.08 0.00 1.64 0.00 -0.00 -1.99 -3.40 116.42 112.75 3epe h ASP 63 Ca 0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.03 57.01 3epe h ASP 63 Cb 0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 39.61 3epe h ASP 63 CO 0.02 0.42 -0.16 0.00 -0.00 0.00 0.00 179.24 179.52 3epe h THR 64 N -0.62 0.29 -0.06 2.25 1.03 -1.99 -3.47 112.91 110.34 3epe h THR 64 Ca 0.00 -1.29 -0.03 0.00 -0.01 0.00 0.00 66.41 65.09 3epe h THR 64 Cb 0.22 2.04 -0.01 0.00 -1.07 0.00 0.00 68.15 69.33 3epe h THR 64 CO 0.00 0.16 -0.03 0.29 -0.01 0.00 0.00 175.52 175.93 3epe n LYS 65 N -3.16 -0.61 -3.32 0.00 4.76 0.38 -5.00 118.16 111.21 3epe n LYS 65 Ca 0.03 0.28 -0.38 0.00 -2.87 0.00 0.00 58.31 55.36 3epe n LYS 65 Cb 0.55 -3.82 -0.06 0.00 -1.84 0.00 0.00 35.03 29.86 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 -1.79 5.11 0.07 -0.18 1.01 -1.26 -4.68 121.20 119.48 3epe s ILE 66 Ca 0.00 1.00 -0.30 0.00 0.00 0.00 0.00 60.65 61.34 3epe s ILE 66 Cb 0.00 -3.83 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 3epe s ILE 66 CO 0.00 0.38 1.12 0.26 0.00 0.00 0.00 174.94 176.70 3epe s TRP 67 N 0.22 3.54 0.33 3.97 0.52 -1.26 -2.31 118.94 123.95 3epe s TRP 67 Ca 0.27 1.48 0.04 0.00 0.02 0.00 0.00 56.10 57.91 3epe s TRP 67 Cb -0.16 -3.30 0.04 0.00 -1.15 0.00 0.00 33.47 28.90 3epe s TRP 67 CO 0.12 -0.78 0.37 0.27 0.02 0.00 0.00 176.95 176.96 3epe n ASN 68 N 3.54 1.59 -0.05 2.95 0.23 -0.53 -4.21 115.26 118.78 3epe n ASN 68 Ca 0.07 -2.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.12 3epe n ASN 68 Cb 0.48 -0.15 0.00 0.00 -2.08 0.00 0.00 39.78 38.02 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 0.95 0.41 0.36 4.83 0.00 -1.26 -1.34 105.19 109.14 3epe n GLY 69 Ca 0.05 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 1.10 -0.25 1.61 2.86 -0.65 -1.22 114.93 118.38 3epe h MET 70 Ca 0.00 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3epe h MET 70 Cb 0.00 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.38 3epe h MET 70 CO 0.00 0.73 0.06 0.28 1.06 0.00 0.00 176.91 179.04 3epe h VAL 71 N 1.13 0.91 -0.61 -2.22 2.07 -1.58 -2.24 116.25 113.71 3epe h VAL 71 Ca 0.33 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.86 3epe h VAL 71 Cb -0.07 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 30.36 3epe h VAL 71 CO -0.08 0.03 0.29 1.23 0.02 0.00 0.00 177.57 179.06 3epe h GLY 72 N 0.17 0.87 0.60 2.17 0.00 -0.41 0.13 103.07 106.60 3epe h GLY 72 Ca 0.11 -0.18 0.10 0.00 0.00 0.00 0.00 47.33 47.36 3epe h GLY 72 CO -0.13 0.07 0.63 0.83 0.00 0.00 0.00 176.54 177.94 3epe h GLU 73 N 0.53 1.00 -0.02 4.80 4.39 -0.68 -1.45 114.58 123.15 3epe h GLU 73 Ca 0.29 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.90 3epe h GLU 73 Cb 0.27 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3epe h GLU 73 CO -0.23 0.66 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.13 3epe h LEU 74 N 1.03 0.10 -0.93 1.33 3.38 -0.84 0.24 115.31 119.62 3epe h LEU 74 Ca 0.46 -0.67 0.11 0.00 0.09 0.00 0.00 57.88 57.87 3epe h LEU 74 Cb 0.38 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.01 3epe h LEU 74 CO -0.22 0.76 0.57 0.58 0.09 0.00 0.00 178.44 180.22 3epe h VAL 75 N -0.55 0.90 -0.49 1.22 2.07 -0.69 -2.21 116.25 116.51 3epe h VAL 75 Ca -0.01 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3epe h VAL 75 Cb 0.76 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3epe h VAL 75 CO 0.02 0.16 0.00 -1.22 0.02 0.00 0.00 177.57 176.55 3epe n TYR 76 N -4.68 0.65 -1.13 1.57 4.01 -0.57 -4.95 117.16 112.06 3epe n TYR 76 Ca 0.17 -0.32 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 3epe n TYR 76 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 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 1.51 0.42 0.03 2.72 0.00 -0.83 -4.93 105.19 104.11 3epe n GLY 77 Ca 0.21 -1.00 0.12 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.57 0.12 -3.83 1.61 4.76 0.79 -4.88 118.16 114.16 3epe n LYS 78 Ca 0.00 0.04 -0.11 0.00 -2.87 0.00 0.00 58.31 55.37 3epe n LYS 78 Cb 0.09 -1.58 -0.08 0.00 -1.84 0.00 0.00 35.03 31.62 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 -3.07 -0.40 -0.08 7.82 0.00 -0.85 -4.96 121.76 120.22 3epe s ALA 79 Ca 0.09 -0.23 0.19 0.00 0.00 0.00 0.00 51.96 52.02 3epe s ALA 79 Cb 0.16 0.27 -0.29 0.00 0.00 0.00 0.00 23.12 23.26 3epe s ALA 79 CO 0.69 -0.36 0.45 0.39 0.00 0.00 0.00 175.76 176.93 3epe n GLU 80 N 0.73 0.60 -3.68 0.00 4.71 0.32 -4.43 120.64 118.90 3epe n GLU 80 Ca -0.19 -0.16 -0.14 0.00 -0.01 0.00 0.00 57.16 56.65 3epe n GLU 80 Cb 0.59 -1.45 -0.08 0.00 -1.01 0.00 0.00 31.44 29.48 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 -3.30 0.02 -0.23 -3.67 2.07 -1.03 -4.25 121.20 110.81 3epe s ILE 81 Ca -0.06 -0.15 -0.04 0.00 -1.41 0.00 0.00 60.65 58.99 3epe s ILE 81 Cb 0.12 -0.73 -0.01 0.00 0.13 0.00 0.00 42.46 41.98 3epe s ILE 81 CO 0.80 -0.08 -0.03 0.00 -1.91 0.00 0.00 174.94 173.71 3epe s ALA 82 N -0.55 2.83 -0.41 1.50 0.00 0.50 -0.14 121.76 125.49 3epe s ALA 82 Ca -0.07 -1.19 0.04 0.00 0.00 0.00 0.00 51.96 50.74 3epe s ALA 82 Cb -0.03 -1.74 0.11 0.00 0.00 0.00 0.00 23.12 21.46 3epe s ALA 82 CO 0.04 -0.47 0.13 0.42 0.00 0.00 0.00 175.76 175.88 3epe s ILE 83 N 1.48 2.42 0.19 0.00 1.01 -0.93 -1.46 121.20 123.92 3epe s ILE 83 Ca 0.05 -2.68 -0.23 0.00 0.00 0.00 0.00 60.65 57.79 3epe s ILE 83 Cb -0.14 -2.75 0.05 0.00 0.01 0.00 0.00 42.46 39.63 3epe s ILE 83 CO -0.03 -0.67 0.81 0.00 0.00 0.00 0.00 174.94 175.05 3epe s ALA 84 N 0.49 -1.48 -0.79 9.38 0.00 -1.26 -4.63 121.76 123.47 3epe s ALA 84 Ca 0.13 0.06 -0.17 0.00 0.00 0.00 0.00 51.96 51.98 3epe s ALA 84 Cb -0.21 0.74 -0.13 0.00 0.00 0.00 0.00 23.12 23.52 3epe s ALA 84 CO -0.05 -0.98 1.96 -0.35 0.00 0.00 0.00 175.76 176.33 3epe n PRO 85 N -0.44 1.62 -3.53 0.00 -0.04 -1.26 -4.72 135.00 126.63 3epe n PRO 85 Ca -0.07 -1.70 -0.40 0.00 -0.04 0.00 0.00 63.50 61.29 3epe n PRO 85 Cb 0.61 -2.77 -0.11 0.00 -0.04 0.00 0.00 33.50 31.19 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 0.84 4.51 0.14 1.53 2.96 -1.26 -5.02 118.68 122.38 3epe s LEU 86 Ca 0.51 -0.43 -0.31 0.00 -0.22 0.00 0.00 54.13 53.69 3epe s LEU 86 Cb 0.13 -2.13 -0.08 0.00 0.50 0.00 0.00 46.19 44.61 3epe s LEU 86 CO 0.08 -0.23 1.33 -0.89 -1.32 0.00 0.00 176.35 175.31 3epe s THR 87 N 1.72 3.38 -0.20 3.68 2.01 -1.26 -1.78 115.64 123.19 3epe s THR 87 Ca 0.06 1.04 -0.29 0.00 0.31 0.00 0.00 61.69 62.81 3epe s THR 87 Cb -0.17 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 3epe s THR 87 CO 0.10 0.11 1.39 -0.63 -0.69 0.00 0.00 174.62 174.91 3epe s ILE 88 N 0.70 4.04 0.10 1.82 1.01 -0.09 -4.87 121.20 123.91 3epe s ILE 88 Ca 0.60 1.22 0.02 0.00 0.00 0.00 0.00 60.65 62.50 3epe s ILE 88 Cb -0.36 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 3epe s ILE 88 CO 0.33 -0.25 -0.08 0.42 0.00 0.00 0.00 174.94 175.37 3epe s THR 89 N 4.12 0.79 0.12 2.92 -4.23 -1.26 -4.73 115.64 113.36 3epe s THR 89 Ca 0.61 -1.81 -0.25 0.00 -1.18 0.00 0.00 61.69 59.06 3epe s THR 89 Cb -0.22 -1.54 -0.07 0.00 1.34 0.00 0.00 72.50 72.01 3epe s THR 89 CO 0.22 -0.75 1.66 0.25 -0.54 0.00 0.00 174.62 175.46 3epe h LEU 90 N 3.20 -0.54 -1.28 4.79 6.46 -1.98 -0.30 115.31 125.66 3epe h LEU 90 Ca -0.36 0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.45 3epe h LEU 90 Cb 1.18 0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 41.30 3epe h LEU 90 CO 0.60 -0.25 0.18 -0.37 -0.62 0.00 0.00 178.44 177.98 3epe h VAL 91 N -0.32 1.18 -0.20 1.05 -1.51 -2.00 -2.01 116.25 112.44 3epe h VAL 91 Ca 0.05 -0.57 -0.18 0.00 -1.23 0.00 0.00 66.70 64.76 3epe h VAL 91 Cb 0.37 0.63 0.01 0.00 -2.13 0.00 0.00 31.29 30.17 3epe h VAL 91 CO -0.16 0.22 -0.60 0.03 -1.23 0.00 0.00 177.57 175.84 3epe h ARG 92 N 0.67 0.76 -0.02 5.19 3.08 -1.91 -3.08 114.38 119.06 3epe h ARG 92 Ca 0.16 -0.55 0.01 0.00 0.07 0.00 0.00 59.98 59.67 3epe h ARG 92 Cb 0.15 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 3epe h ARG 92 CO -0.01 1.17 0.04 1.49 -1.07 0.00 0.00 179.97 181.59 3epe h GLU 93 N 0.48 0.00 0.00 0.04 4.57 -0.40 0.65 114.58 119.93 3epe h GLU 93 Ca -0.02 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3epe h GLU 93 Cb 1.22 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.81 3epe h GLU 93 CO 0.13 0.00 -0.04 0.93 -1.18 0.00 0.00 179.01 178.85 3epe h GLU 94 N 0.00 0.00 0.00 1.92 5.08 -1.29 -3.36 114.58 116.92 3epe h GLU 94 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3epe h GLU 94 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3epe h GLU 94 CO -0.00 0.04 -0.96 1.33 -1.00 0.00 0.00 179.01 178.41 3epe n VAL 95 N -3.13 0.00 -4.24 3.13 0.24 -0.19 -5.08 118.33 109.06 3epe n VAL 95 Ca 0.02 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.18 3epe n VAL 95 Cb 0.40 0.38 -0.10 0.00 -1.47 0.00 0.00 33.84 33.04 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 -1.93 0.16 0.08 1.34 -4.36 0.05 -4.36 121.20 112.18 3epe s ILE 96 Ca 0.00 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.43 3epe s ILE 96 Cb 0.00 -2.53 -0.04 0.00 1.25 0.00 0.00 42.46 41.14 3epe s ILE 96 CO 0.00 0.00 0.06 -1.81 0.24 0.00 0.00 174.94 173.43 3epe s ASP 97 N -3.23 5.40 0.01 4.36 1.01 -0.12 -4.20 116.67 119.89 3epe s ASP 97 Ca 0.39 -0.06 0.07 0.00 0.71 0.00 0.00 52.55 53.66 3epe s ASP 97 Cb 0.07 -1.41 -0.02 0.00 1.01 0.00 0.00 42.92 42.57 3epe s ASP 97 CO 0.14 0.17 -0.21 -0.36 0.21 0.00 0.00 175.17 175.12 3epe s PHE 98 N -1.38 1.82 0.97 4.23 0.08 -1.26 -1.31 117.98 121.13 3epe s PHE 98 Ca 0.28 -0.36 -0.11 0.00 0.12 0.00 0.00 56.93 56.86 3epe s PHE 98 Cb -0.12 -1.14 0.17 0.00 -0.57 0.00 0.00 43.02 41.36 3epe s PHE 98 CO 0.21 0.02 1.09 -1.54 -0.10 0.00 0.00 175.22 174.90 3epe s SER 99 N -0.75 2.68 0.79 1.36 1.04 0.00 -4.94 113.70 113.88 3epe s SER 99 Ca 0.08 1.72 -0.15 0.00 0.48 0.00 0.00 55.95 58.08 3epe s SER 99 Cb -0.08 -2.34 0.01 0.00 0.10 0.00 0.00 66.02 63.71 3epe s SER 99 CO 0.00 -3.17 0.73 0.29 0.98 0.00 0.00 173.24 172.07 3epe n LYS 100 N -4.25 0.19 -1.85 4.02 4.76 -1.26 -4.48 118.16 115.29 3epe n LYS 100 Ca 0.07 0.12 -0.41 0.00 -2.87 0.00 0.00 58.31 55.22 3epe n LYS 100 Cb 0.54 -2.04 -0.02 0.00 -1.84 0.00 0.00 35.03 31.67 3epe n LYS 100 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 3epe s PRO 101 N -3.33 4.17 0.04 1.97 0.02 -1.26 -4.61 135.00 132.00 3epe s PRO 101 Ca 0.67 2.49 0.24 0.00 0.02 0.00 0.00 61.00 64.42 3epe s PRO 101 Cb -0.31 -3.05 0.28 0.00 0.02 0.00 0.00 34.50 31.44 3epe s PRO 101 CO 0.57 -0.57 1.24 1.97 -0.33 0.00 0.00 177.00 179.88 3epe n PHE 102 N 2.29 0.19 -3.74 6.54 1.16 -0.10 -4.93 117.46 118.89 3epe n PHE 102 Ca 0.08 0.06 -0.13 0.00 -1.87 0.00 0.00 57.45 55.59 3epe n PHE 102 Cb 0.38 -0.37 -0.10 0.00 -1.61 0.00 0.00 39.48 37.78 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 -3.09 0.47 -0.05 3.97 0.00 -1.25 -4.99 119.30 114.36 3epe s MET 103 Ca 0.08 0.56 -0.01 0.00 0.00 0.00 0.00 55.69 56.31 3epe s MET 103 Cb 0.16 0.23 -0.04 0.00 0.00 0.00 0.00 34.83 35.18 3epe s MET 103 CO 0.75 -0.06 0.04 -1.12 0.00 0.00 0.00 175.02 174.63 3epe s SER 104 N 0.21 5.45 0.29 1.11 0.01 -1.26 -1.35 113.70 118.15 3epe s SER 104 Ca -0.00 0.15 -0.20 0.00 1.31 0.00 0.00 55.95 57.21 3epe s SER 104 Cb -0.03 -1.55 0.05 0.00 0.21 0.00 0.00 66.02 64.71 3epe s SER 104 CO 0.01 0.33 0.85 -1.48 0.41 0.00 0.00 173.24 173.36 3epe s LEU 105 N -1.27 -0.08 0.15 2.44 -0.00 -0.45 -4.91 118.68 114.56 3epe s LEU 105 Ca 0.17 -0.82 -0.19 0.00 -0.00 0.00 0.00 54.13 53.29 3epe s LEU 105 Cb -0.12 2.56 0.05 0.00 -0.00 0.00 0.00 46.19 48.68 3epe s LEU 105 CO 0.07 -1.36 0.49 -0.83 -0.00 0.00 0.00 176.35 174.72 3epe s GLY 106 N -3.09 -0.37 0.41 -3.48 0.00 -1.26 -0.86 107.32 98.67 3epe s GLY 106 Ca 0.15 0.11 -0.26 0.00 0.00 0.00 0.00 44.72 44.72 3epe s GLY 106 CO 0.08 -0.14 1.36 -0.42 0.00 0.00 0.00 173.10 173.98 3epe s ILE 107 N -3.79 2.41 0.29 0.90 1.01 -1.26 -0.50 121.20 120.25 3epe s ILE 107 Ca 0.03 0.38 0.02 0.00 0.00 0.00 0.00 60.65 61.07 3epe s ILE 107 Cb 0.00 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 3epe s ILE 107 CO -0.11 0.06 0.28 -0.94 0.00 0.00 0.00 174.94 174.23 3epe s SER 108 N -0.57 0.97 -0.13 3.58 1.04 0.13 -0.54 113.70 118.16 3epe s SER 108 Ca 0.57 -1.55 0.00 0.00 0.48 0.00 0.00 55.95 55.45 3epe s SER 108 Cb -0.41 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 3epe s SER 108 CO 0.53 -1.04 -0.14 -0.63 0.98 0.00 0.00 173.24 172.93 3epe s ILE 109 N -3.62 2.88 -0.17 -1.02 1.01 -1.26 -1.83 121.20 117.19 3epe s ILE 109 Ca 0.37 -0.72 -0.06 0.00 0.00 0.00 0.00 60.65 60.24 3epe s ILE 109 Cb 0.03 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 3epe s ILE 109 CO 0.20 0.52 0.04 -0.32 0.00 0.00 0.00 174.94 175.39 3epe s MET 110 N 0.45 3.88 0.21 2.79 -2.45 0.43 -1.85 119.30 122.77 3epe s MET 110 Ca -0.11 -0.38 0.10 0.00 -1.25 0.00 0.00 55.69 54.05 3epe s MET 110 Cb -0.16 -3.14 -0.05 0.00 1.25 0.00 0.00 34.83 32.73 3epe s MET 110 CO 0.05 0.29 -0.18 0.96 1.05 0.00 0.00 175.02 177.19 3epe s ILE 111 N 0.30 2.05 0.19 10.11 -4.36 -0.51 -1.63 121.20 127.35 3epe s ILE 111 Ca 0.02 -2.17 -0.30 0.00 -0.26 0.00 0.00 60.65 57.94 3epe s ILE 111 Cb -0.13 -2.07 -0.08 0.00 1.25 0.00 0.00 42.46 41.43 3epe s ILE 111 CO 0.01 -0.41 1.26 -0.75 0.24 0.00 0.00 174.94 175.29 3epe s LYS 112 N -3.26 4.43 0.19 0.37 2.47 -1.26 -1.40 119.74 121.29 3epe s LYS 112 Ca 0.23 1.97 -0.33 0.00 -1.56 0.00 0.00 55.97 56.28 3epe s LYS 112 Cb -0.04 -3.22 -0.15 0.00 -1.46 0.00 0.00 37.83 32.97 3epe s LYS 112 CO 0.09 -0.18 1.33 1.63 0.16 0.00 0.00 175.35 178.39 3epe n LYS 113 N 2.57 1.65 0.00 4.03 5.02 -0.24 -1.73 118.16 129.47 3epe n LYS 113 Ca 0.05 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 3epe n LYS 113 Cb 0.44 -2.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 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 2.27 1.09 3.70 0.72 0.00 -1.26 -4.99 105.19 106.71 3epe n GLY 114 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.28 2.51 -1.27 2.61 2.01 -0.70 -4.89 115.64 113.63 3epe s THR 115 Ca 0.00 0.15 -0.12 0.00 0.31 0.00 0.00 61.69 62.03 3epe s THR 115 Cb 0.00 -3.10 -0.06 0.00 0.01 0.00 0.00 72.50 69.36 3epe s THR 115 CO 0.00 0.00 2.38 -0.81 -0.69 0.00 0.00 174.62 175.51 3epe n PRO 116 N 5.11 2.71 -3.77 4.92 -0.04 -1.26 -4.79 135.00 137.88 3epe n PRO 116 Ca 0.17 -2.07 -0.15 0.00 -0.04 0.00 0.00 63.50 61.40 3epe n PRO 116 Cb 0.38 -2.87 -0.16 0.00 -0.04 0.00 0.00 33.50 30.81 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 3.24 -0.06 0.00 0.52 -1.09 -1.26 -5.00 121.20 117.55 3epe s ILE 117 Ca 0.54 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 59.18 3epe s ILE 117 Cb 0.14 -0.10 0.00 0.00 -1.58 0.00 0.00 42.46 40.93 3epe s ILE 117 CO -0.03 0.09 0.31 -1.84 -1.23 0.00 0.00 174.94 172.24 3epe n GLU 118 N 4.18 -0.39 -3.75 2.79 0.28 -1.26 -4.95 120.64 117.53 3epe n GLU 118 Ca -0.28 -0.31 -0.07 0.00 -0.16 0.00 0.00 57.16 56.34 3epe n GLU 118 Cb 0.50 -0.80 -0.02 0.00 1.43 0.00 0.00 31.44 32.55 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 -0.03 -0.30 0.19 -1.84 1.04 -1.26 -2.99 113.70 108.51 3epe s SER 119 Ca 0.00 -0.44 -0.09 0.00 0.48 0.00 0.00 55.95 55.90 3epe s SER 119 Cb 0.00 0.65 0.11 0.00 0.10 0.00 0.00 66.02 66.88 3epe s SER 119 CO 0.00 -1.17 1.72 0.00 0.98 0.00 0.00 173.24 174.77 3epe h ALA 120 N 2.00 0.92 -0.95 5.32 0.00 -1.94 -2.62 119.26 121.98 3epe h ALA 120 Ca -0.23 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 54.54 3epe h ALA 120 Cb 1.26 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 3epe h ALA 120 CO 0.26 0.62 0.60 1.49 0.00 0.00 0.00 179.25 182.22 3epe h GLU 121 N 1.04 0.99 -0.97 0.00 4.81 -1.96 -0.62 114.58 117.88 3epe h GLU 121 Ca 0.22 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3epe h GLU 121 Cb 0.33 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.44 3epe h GLU 121 CO -0.00 0.65 0.60 -0.44 -0.73 0.00 0.00 179.01 179.09 3epe h ASP 122 N 1.02 1.14 -0.23 1.04 3.45 -1.87 -2.19 116.42 118.78 3epe h ASP 122 Ca 0.44 -0.06 -0.08 0.00 0.43 0.00 0.00 57.03 57.77 3epe h ASP 122 Cb 0.31 -0.29 -0.00 0.00 -0.56 0.00 0.00 39.33 38.79 3epe h ASP 122 CO -0.22 0.86 -0.17 -0.07 -1.57 0.00 0.00 179.24 178.07 3epe h LEU 123 N 1.32 0.55 -1.30 1.55 3.38 -1.06 -3.28 115.31 116.47 3epe h LEU 123 Ca 0.35 -0.44 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 3epe h LEU 123 Cb -0.09 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3epe h LEU 123 CO -0.07 0.87 -0.33 0.00 0.09 0.00 0.00 178.44 179.01 3epe h ALA 124 N 0.69 1.26 -0.06 1.53 0.00 -0.94 -2.96 119.26 118.78 3epe h ALA 124 Ca 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3epe h ALA 124 Cb 0.69 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3epe h ALA 124 CO 0.04 0.41 0.00 1.63 0.00 0.00 0.00 179.25 181.34 3epe n LYS 125 N -3.87 1.28 -4.13 0.00 5.02 -0.84 -4.91 118.16 110.72 3epe n LYS 125 Ca -0.01 -0.42 -0.12 0.00 -2.02 0.00 0.00 58.31 55.73 3epe n LYS 125 Cb 0.40 -1.33 -0.07 0.00 -0.02 0.00 0.00 35.03 34.00 3epe n LYS 125 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3epe s GLN 126 N -1.92 1.46 0.00 1.97 1.03 -1.12 -5.08 119.66 116.00 3epe s GLN 126 Ca 0.30 -1.56 0.00 0.00 0.04 0.00 0.00 55.36 54.14 3epe s GLN 126 Cb 0.15 0.36 0.00 0.00 0.03 0.00 0.00 33.01 33.55 3epe s GLN 126 CO 0.24 -0.55 0.00 0.25 -2.54 0.00 0.00 175.29 172.69 3epe n THR 127 N -0.38 0.00 -0.25 3.63 -2.24 -1.26 -4.81 114.28 108.97 3epe n THR 127 Ca 0.01 -0.17 -0.07 0.00 -2.27 0.00 0.00 64.05 61.55 3epe n THR 127 Cb 0.64 0.70 0.05 0.00 -2.10 0.00 0.00 70.33 69.61 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 1.07 -4.92 -0.78 4.39 -1.97 -3.40 114.58 108.97 3epe h GLU 128 Ca 0.00 -0.21 -0.66 0.00 0.34 0.00 0.00 59.36 58.83 3epe h GLU 128 Cb 0.00 -0.16 -0.17 0.00 -0.10 0.00 0.00 28.75 28.32 3epe h GLU 128 CO 0.00 0.90 -0.35 0.42 -1.16 0.00 0.00 179.01 178.82 3epe s ILE 129 N -5.47 5.21 0.63 3.13 1.01 -1.26 -4.89 121.20 119.55 3epe s ILE 129 Ca -0.12 0.07 -0.14 0.00 0.00 0.00 0.00 60.65 60.46 3epe s ILE 129 Cb 0.14 -3.75 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 3epe s ILE 129 CO 0.83 -0.00 1.05 0.00 0.00 0.00 0.00 174.94 176.81 3epe s ALA 130 N 1.93 2.78 -0.06 9.38 0.00 -0.12 -4.88 121.76 130.78 3epe s ALA 130 Ca 0.10 0.22 -0.20 0.00 0.00 0.00 0.00 51.96 52.08 3epe s ALA 130 Cb -0.17 -3.19 0.04 0.00 0.00 0.00 0.00 23.12 19.81 3epe s ALA 130 CO 0.11 -0.89 0.46 1.52 0.00 0.00 0.00 175.76 176.95 3epe s TYR 131 N -2.75 -0.40 0.00 0.00 1.13 -1.26 -0.77 117.35 113.31 3epe s TYR 131 Ca 0.60 0.74 0.00 0.00 -1.41 0.00 0.00 57.07 57.00 3epe s TYR 131 Cb -0.14 0.21 0.00 0.00 -1.10 0.00 0.00 41.96 40.93 3epe s TYR 131 CO 0.44 -0.43 0.00 0.41 -2.51 0.00 0.00 175.55 173.46 3epe n GLY 132 N 1.47 3.26 3.66 5.49 0.00 -1.01 -4.81 105.19 113.25 3epe n GLY 132 Ca -0.19 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.44 0.00 0.26 2.61 -1.32 -1.17 -0.71 115.64 112.86 3epe s THR 133 Ca 0.00 -1.28 -0.30 0.00 -1.21 0.00 0.00 61.69 58.90 3epe s THR 133 Cb 0.00 -2.81 -0.09 0.00 -1.51 0.00 0.00 72.50 68.09 3epe s THR 133 CO 0.00 0.00 0.98 -0.22 -2.21 0.00 0.00 174.62 173.17 3epe s LEU 134 N -3.16 4.60 0.61 9.08 2.96 -1.26 -1.86 118.68 129.65 3epe s LEU 134 Ca 0.23 2.02 -0.18 0.00 -0.22 0.00 0.00 54.13 55.98 3epe s LEU 134 Cb -0.03 -3.65 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 3epe s LEU 134 CO 0.16 0.07 1.18 -1.81 -1.32 0.00 0.00 176.35 174.62 3epe s ASP 135 N -1.15 5.16 -1.77 3.68 -0.00 0.13 -4.12 116.67 118.60 3epe s ASP 135 Ca 0.43 2.28 0.00 0.00 -0.00 0.00 0.00 52.55 55.26 3epe s ASP 135 Cb -0.27 -2.59 0.00 0.00 -0.00 0.00 0.00 42.92 40.06 3epe s ASP 135 CO 0.33 -1.61 0.00 -1.20 -0.00 0.00 0.00 175.17 172.70 3epe n SER 136 N -1.79 -5.75 -2.62 0.27 7.64 -1.26 -4.81 113.62 105.29 3epe n SER 136 Ca 0.13 0.04 -0.12 0.00 1.01 0.00 0.00 58.87 59.93 3epe n SER 136 Cb 0.50 -4.82 -0.04 0.00 -1.01 0.00 0.00 64.21 58.85 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 -0.95 3.67 0.16 0.23 0.00 -1.26 -2.12 105.19 104.92 3epe n GLY 137 Ca -0.24 -2.00 0.03 0.00 0.00 0.00 0.00 46.02 43.81 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 0.80 0.00 -0.35 1.61 4.64 -1.91 -3.03 113.55 115.33 3epe h SER 138 Ca -0.15 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.05 3epe h SER 138 Cb 0.59 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 3epe h SER 138 CO 0.24 0.47 -0.26 0.74 -0.87 0.00 0.00 176.83 177.16 3epe h THR 139 N 0.00 1.29 -0.43 2.95 2.02 -1.95 -0.16 112.91 116.62 3epe h THR 139 Ca -0.00 -1.41 -0.02 0.00 0.77 0.00 0.00 66.41 65.74 3epe h THR 139 Cb 1.18 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 69.00 3epe h THR 139 CO 0.06 0.46 0.18 0.50 0.37 0.00 0.00 175.52 177.09 3epe h LYS 140 N 0.57 0.63 -0.72 6.66 3.64 -1.74 -2.53 116.57 123.08 3epe h LYS 140 Ca 0.07 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3epe h LYS 140 Cb 0.82 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 3epe h LYS 140 CO 0.07 0.58 0.30 1.49 -2.27 0.00 0.00 179.45 179.62 3epe h GLU 141 N 0.55 1.06 -0.31 1.90 4.57 -1.44 -1.83 114.58 119.08 3epe h GLU 141 Ca 0.14 -0.17 0.07 0.00 -1.18 0.00 0.00 59.36 58.22 3epe h GLU 141 Cb 0.17 -0.18 -0.08 0.00 -0.16 0.00 0.00 28.75 28.51 3epe h GLU 141 CO -0.01 0.85 -0.22 0.35 -1.18 0.00 0.00 179.01 178.79 3epe h PHE 142 N 1.04 -0.58 -0.46 0.92 3.57 -0.61 -1.08 116.94 119.74 3epe h PHE 142 Ca 0.24 0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.65 3epe h PHE 142 Cb 0.18 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 3epe h PHE 142 CO 0.02 -0.30 -0.25 0.74 -2.23 0.00 0.00 178.31 176.29 3epe h PHE 143 N -0.19 1.12 -0.99 0.41 0.04 -1.23 -1.50 116.94 114.61 3epe h PHE 143 Ca 0.16 -0.28 0.06 0.00 2.80 0.00 0.00 57.97 60.71 3epe h PHE 143 Cb 0.44 -0.26 -0.07 0.00 2.20 0.00 0.00 35.95 38.27 3epe h PHE 143 CO -0.41 1.11 0.63 -0.09 -0.60 0.00 0.00 178.31 178.95 3epe h ARG 144 N 0.83 1.12 0.00 1.51 2.43 -1.08 -3.12 114.38 116.07 3epe h ARG 144 Ca 0.10 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3epe h ARG 144 Cb 0.83 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3epe h ARG 144 CO 0.07 0.74 -0.95 0.54 -1.51 0.00 0.00 179.97 178.87 3epe n ARG 145 N -4.51 0.24 -1.98 0.20 5.12 -0.43 -4.97 116.66 110.31 3epe n ARG 145 Ca 0.15 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.66 3epe n ARG 145 Cb 0.18 -1.58 -0.02 0.00 -1.16 0.00 0.00 32.46 29.88 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 6.60 0.00 0.55 0.15 -0.58 -4.92 113.70 111.74 3epe s SER 146 Ca 0.05 2.80 0.15 0.00 0.70 0.00 0.00 55.95 59.65 3epe s SER 146 Cb 0.15 -2.65 0.33 0.00 -1.71 0.00 0.00 66.02 62.14 3epe s SER 146 CO 0.79 -0.69 1.24 0.29 1.20 0.00 0.00 173.24 176.07 3epe n LYS 147 N 1.13 2.35 -2.58 5.44 4.76 -1.26 -4.53 118.16 123.47 3epe n LYS 147 Ca 0.02 -2.01 -0.42 0.00 -2.87 0.00 0.00 58.31 53.03 3epe n LYS 147 Cb 0.40 -1.34 -0.03 0.00 -1.84 0.00 0.00 35.03 32.23 3epe n LYS 147 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3epe s ILE 148 N -1.07 4.53 0.23 -0.18 1.01 -1.26 -4.93 121.20 119.54 3epe s ILE 148 Ca 0.27 1.83 -0.10 0.00 0.00 0.00 0.00 60.65 62.65 3epe s ILE 148 Cb 0.15 -4.17 0.25 0.00 0.01 0.00 0.00 42.46 38.70 3epe s ILE 148 CO 0.21 0.01 1.64 0.00 0.00 0.00 0.00 174.94 176.80 3epe h ALA 149 N 7.22 0.63 -0.57 9.38 0.00 -1.99 0.12 119.26 134.05 3epe h ALA 149 Ca -0.33 0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3epe h ALA 149 Cb 1.16 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 3epe h ALA 149 CO 0.86 -0.42 0.22 0.28 0.00 0.00 0.00 179.25 180.19 3epe h VAL 150 N 0.07 1.23 -0.03 0.00 2.07 -2.00 -1.88 116.25 115.71 3epe h VAL 150 Ca 0.36 -0.73 -0.19 0.00 0.82 0.00 0.00 66.70 66.96 3epe h VAL 150 Cb 0.60 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3epe h VAL 150 CO -0.64 0.28 -0.80 1.88 0.02 0.00 0.00 177.57 178.31 3epe h TYR 151 N 0.79 0.43 -0.82 1.57 0.05 -1.65 -2.25 116.97 115.09 3epe h TYR 151 Ca 0.19 -0.21 0.06 0.00 0.05 0.00 0.00 58.73 58.82 3epe h TYR 151 Cb 0.22 -0.06 -0.06 0.00 1.01 0.00 0.00 36.73 37.85 3epe h TYR 151 CO 0.01 0.98 0.51 0.93 -1.05 0.00 0.00 178.16 179.54 3epe h GLU 152 N 0.20 0.90 -0.50 4.88 5.08 -0.64 0.06 114.58 124.55 3epe h GLU 152 Ca -0.04 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 3epe h GLU 152 Cb 1.39 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 3epe h GLU 152 CO 0.13 0.60 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.48 3epe h LYS 153 N 0.93 0.91 -0.21 2.33 3.64 -1.07 -1.06 116.57 122.04 3epe h LYS 153 Ca 0.36 -0.31 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3epe h LYS 153 Cb 0.16 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3epe h LYS 153 CO -0.17 0.95 0.10 0.52 -2.27 0.00 0.00 179.45 178.58 3epe h MET 154 N 0.77 0.31 -0.34 1.90 2.86 -1.12 -1.90 114.93 117.40 3epe h MET 154 Ca 0.14 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.77 3epe h MET 154 Cb 0.56 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.13 3epe h MET 154 CO 0.03 0.34 0.12 2.35 1.06 0.00 0.00 176.91 180.81 3epe h TRP 155 N 0.20 0.21 -0.86 -0.22 2.91 -0.88 0.12 115.95 117.43 3epe h TRP 155 Ca 0.07 0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.16 3epe h TRP 155 Cb 0.13 -0.05 -0.06 0.00 -0.51 0.00 0.00 29.16 28.68 3epe h TRP 155 CO -0.02 0.09 0.54 1.15 -1.03 0.00 0.00 178.44 179.17 3epe h THR 156 N 0.26 1.07 0.33 2.65 2.02 -1.06 0.44 112.91 118.63 3epe h THR 156 Ca 0.15 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 3epe h THR 156 Cb 0.12 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 3epe h THR 156 CO -0.15 0.18 -0.16 0.22 0.37 0.00 0.00 175.52 175.98 3epe h TYR 157 N 1.01 -0.41 -0.74 3.16 3.20 -0.91 -3.31 116.97 118.96 3epe h TYR 157 Ca 0.37 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.19 3epe h TYR 157 Cb 0.12 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 3epe h TYR 157 CO -0.03 -0.11 0.33 0.52 -1.64 0.00 0.00 178.16 177.24 3epe h MET 158 N -0.72 1.09 0.00 1.82 2.86 -0.30 -1.63 114.93 118.06 3epe h MET 158 Ca -0.05 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.41 3epe h MET 158 Cb 0.49 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 3epe h MET 158 CO 0.07 0.87 -0.04 0.07 1.06 0.00 0.00 176.91 178.94 3epe h ARG 159 N 1.05 0.00 -0.03 1.72 0.11 -1.03 -2.91 114.38 113.30 3epe h ARG 159 Ca 0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.33 3epe h ARG 159 Cb 0.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.24 3epe h ARG 159 CO -0.03 0.04 0.00 0.43 0.10 0.00 0.00 179.97 180.51 3epe n SER 160 N -3.68 1.57 -4.77 0.08 7.64 -1.03 -5.05 113.62 108.38 3epe n SER 160 Ca -0.03 -1.45 -0.40 0.00 1.01 0.00 0.00 58.87 58.01 3epe n SER 160 Cb 0.14 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 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 -0.50 3.36 -0.06 -0.43 0.00 -0.64 -5.04 121.76 118.44 3epe s ALA 161 Ca 0.03 1.41 0.02 0.00 0.00 0.00 0.00 51.96 53.42 3epe s ALA 161 Cb 0.02 -3.56 0.02 0.00 0.00 0.00 0.00 23.12 19.60 3epe s ALA 161 CO 0.03 -1.01 -0.09 -1.21 0.00 0.00 0.00 175.76 173.48 3epe s GLU 162 N -2.24 1.37 1.02 0.00 0.41 -1.26 -3.81 118.70 114.19 3epe s GLU 162 Ca 0.57 -0.29 -0.12 0.00 -0.41 0.00 0.00 54.97 54.71 3epe s GLU 162 Cb -0.43 -1.21 0.20 0.00 -1.78 0.00 0.00 34.13 30.92 3epe s GLU 162 CO 0.56 -0.03 1.08 -1.25 -0.49 0.00 0.00 175.26 175.13 3epe s PRO 163 N 0.81 0.27 0.28 0.39 0.04 -1.26 -5.07 135.00 130.46 3epe s PRO 163 Ca -0.12 0.65 -0.29 0.00 0.04 0.00 0.00 61.00 61.28 3epe s PRO 163 Cb -0.15 -1.71 -0.14 0.00 0.04 0.00 0.00 34.50 32.54 3epe s PRO 163 CO 0.02 -2.87 1.15 0.45 0.04 0.00 0.00 177.00 175.78 3epe n SER 164 N -4.30 1.81 -0.91 6.66 2.88 -1.25 -4.90 113.62 113.62 3epe n SER 164 Ca 0.05 1.17 0.11 0.00 -1.33 0.00 0.00 58.87 58.88 3epe n SER 164 Cb 0.56 -1.34 0.11 0.00 -0.75 0.00 0.00 64.21 62.79 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 0.67 0.06 -3.58 2.46 0.24 -1.26 -4.95 118.33 111.97 3epe n VAL 165 Ca 0.10 -0.53 -0.38 0.00 -2.04 0.00 0.00 64.34 61.49 3epe n VAL 165 Cb 0.32 1.40 -0.06 0.00 -1.47 0.00 0.00 33.84 34.03 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 -1.79 3.70 0.14 6.34 0.08 -1.26 -3.04 117.98 122.14 3epe s PHE 166 Ca 0.27 0.89 0.08 0.00 0.12 0.00 0.00 56.93 58.29 3epe s PHE 166 Cb 0.19 -2.21 -0.04 0.00 -0.57 0.00 0.00 43.02 40.38 3epe s PHE 166 CO 0.28 0.66 -0.13 0.95 -0.10 0.00 0.00 175.22 176.88 3epe s THR 167 N -1.04 3.09 0.21 0.64 -4.23 -0.77 -4.91 115.64 108.62 3epe s THR 167 Ca 0.22 -1.51 0.08 0.00 -1.18 0.00 0.00 61.69 59.30 3epe s THR 167 Cb -0.16 -2.46 -0.10 0.00 1.34 0.00 0.00 72.50 71.12 3epe s THR 167 CO 0.11 0.03 1.47 0.03 -0.54 0.00 0.00 174.62 175.72 3epe h ARG 168 N 3.41 0.05 -4.88 3.99 2.47 -1.93 0.39 114.38 117.88 3epe h ARG 168 Ca -0.48 -0.05 -0.28 0.00 -1.26 0.00 0.00 59.98 57.90 3epe h ARG 168 Cb 1.18 0.01 -0.15 0.00 -1.65 0.00 0.00 29.97 29.36 3epe h ARG 168 CO 0.50 0.79 -0.71 0.95 0.56 0.00 0.00 179.97 182.07 3epe s THR 169 N -3.30 0.94 0.19 2.04 -4.23 -1.26 -4.74 115.64 105.29 3epe s THR 169 Ca -0.01 -1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 58.45 3epe s THR 169 Cb 0.11 -1.68 0.10 0.00 1.34 0.00 0.00 72.50 72.37 3epe s THR 169 CO 0.79 -0.76 1.83 0.74 -0.54 0.00 0.00 174.62 176.69 3epe h THR 170 N 3.01 1.09 -0.92 3.99 2.02 -1.95 -2.87 112.91 117.27 3epe h THR 170 Ca -0.36 -0.25 0.09 0.00 0.77 0.00 0.00 66.41 66.66 3epe h THR 170 Cb 1.18 0.29 -0.07 0.00 -1.74 0.00 0.00 68.15 67.81 3epe h THR 170 CO 0.62 0.13 0.59 0.00 0.37 0.00 0.00 175.52 177.24 3epe h ALA 171 N 1.25 1.58 -0.52 6.16 0.00 -1.96 -0.43 119.26 125.33 3epe h ALA 171 Ca 0.23 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3epe h ALA 171 Cb -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3epe h ALA 171 CO -0.09 0.24 0.27 1.49 0.00 0.00 0.00 179.25 181.16 3epe h GLU 172 N 0.95 0.74 -0.29 0.00 4.81 -1.93 -0.31 114.58 118.55 3epe h GLU 172 Ca 0.43 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 3epe h GLU 172 Cb 0.37 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3epe h GLU 172 CO -0.19 0.59 0.15 0.78 -0.73 0.00 0.00 179.01 179.61 3epe h GLY 173 N 0.70 0.44 0.95 1.92 0.00 -1.08 -1.70 103.07 104.30 3epe h GLY 173 Ca 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 3epe h GLY 173 CO -0.03 0.20 0.18 -2.08 0.00 0.00 0.00 176.54 174.82 3epe h VAL 174 N 0.34 1.20 -0.96 4.60 2.07 -0.96 -2.01 116.25 120.53 3epe h VAL 174 Ca 0.10 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.04 3epe h VAL 174 Cb 0.10 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 3epe h VAL 174 CO -0.01 0.22 0.63 0.00 0.02 0.00 0.00 177.57 178.43 3epe h ALA 175 N 1.03 1.23 -0.70 1.67 0.00 -0.99 -2.09 119.26 119.41 3epe h ALA 175 Ca 0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3epe h ALA 175 Cb 0.18 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3epe h ALA 175 CO -0.01 0.56 0.26 -0.09 0.00 0.00 0.00 179.25 179.97 3epe h ARG 176 N 1.26 1.05 -0.36 0.00 2.43 -0.94 -1.03 114.38 116.78 3epe h ARG 176 Ca 0.36 -0.20 0.03 0.00 -0.81 0.00 0.00 59.98 59.36 3epe h ARG 176 Cb -0.08 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.27 3epe h ARG 176 CO -0.10 0.88 0.17 0.28 -1.51 0.00 0.00 179.97 179.70 3epe h VAL 177 N 1.00 0.97 -0.03 0.20 2.07 -1.10 -2.57 116.25 116.80 3epe h VAL 177 Ca 0.23 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.54 3epe h VAL 177 Cb 0.23 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3epe h VAL 177 CO -0.02 0.07 -0.37 0.03 0.02 0.00 0.00 177.57 177.30 3epe h ARG 178 N 0.36 0.06 -0.00 1.57 3.08 -0.95 -3.15 114.38 115.34 3epe h ARG 178 Ca 0.15 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3epe h ARG 178 Cb 0.07 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3epe h ARG 178 CO -0.11 0.43 -0.59 1.63 -1.07 0.00 0.00 179.97 180.26 3epe n LYS 179 N -4.08 0.41 -0.56 0.04 4.76 -0.43 -4.47 118.16 113.83 3epe n LYS 179 Ca -0.02 -0.30 0.09 0.00 -2.87 0.00 0.00 58.31 55.22 3epe n LYS 179 Cb 0.42 -1.49 0.33 0.00 -1.84 0.00 0.00 35.03 32.45 3epe n LYS 179 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3epe n SER 180 N -1.03 4.54 -3.25 4.39 7.64 -0.98 -4.95 113.62 119.98 3epe n SER 180 Ca 0.07 -2.44 -0.22 0.00 1.01 0.00 0.00 58.87 57.29 3epe n SER 180 Cb 0.36 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 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 0.98 -3.64 -0.46 1.43 5.02 -1.26 -0.64 118.16 119.59 3epe n LYS 181 Ca 0.24 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 3epe n LYS 181 Cb 0.85 -5.30 0.00 0.00 -0.02 0.00 0.00 35.03 30.56 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 -1.22 0.73 1.23 0.72 0.00 -1.26 -4.94 105.19 100.45 3epe n GLY 182 Ca -0.04 0.00 0.12 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 -2.03 2.57 -3.90 1.61 4.76 0.19 -4.84 118.16 116.52 3epe n LYS 183 Ca 0.00 -2.41 -0.15 0.00 -2.87 0.00 0.00 58.31 52.87 3epe n LYS 183 Cb 0.00 -1.53 -0.15 0.00 -1.84 0.00 0.00 35.03 31.50 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 -1.24 0.18 0.18 2.13 2.19 -1.26 -0.94 117.98 119.22 3epe s PHE 184 Ca 0.44 0.03 0.11 0.00 0.33 0.00 0.00 56.93 57.83 3epe s PHE 184 Cb 0.24 -0.26 -0.04 0.00 -1.31 0.00 0.00 43.02 41.65 3epe s PHE 184 CO 0.32 -0.08 -0.23 0.00 1.83 0.00 0.00 175.22 177.06 3epe s ALA 185 N 0.68 2.55 -0.05 11.12 0.00 0.05 -4.53 121.76 131.58 3epe s ALA 185 Ca -0.06 -1.59 0.04 0.00 0.00 0.00 0.00 51.96 50.35 3epe s ALA 185 Cb -0.09 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.64 3epe s ALA 185 CO -0.02 0.46 -0.16 0.12 0.00 0.00 0.00 175.76 176.16 3epe s PHE 186 N -1.55 1.67 -0.35 0.00 2.19 -0.64 -2.40 117.98 116.89 3epe s PHE 186 Ca 0.20 -0.53 -0.14 0.00 0.33 0.00 0.00 56.93 56.78 3epe s PHE 186 Cb -0.08 -1.15 -0.01 0.00 -1.31 0.00 0.00 43.02 40.47 3epe s PHE 186 CO 0.10 -0.21 0.31 -0.51 1.83 0.00 0.00 175.22 176.74 3epe s LEU 187 N 0.24 4.55 0.22 6.12 1.43 0.11 -0.43 118.68 130.92 3epe s LEU 187 Ca -0.08 -0.39 -0.14 0.00 -1.03 0.00 0.00 54.13 52.50 3epe s LEU 187 Cb -0.13 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.85 3epe s LEU 187 CO 0.03 -0.32 0.46 -1.48 0.23 0.00 0.00 176.35 175.27 3epe s LEU 188 N 1.88 0.36 0.42 1.79 2.34 -0.76 -4.35 118.68 120.36 3epe s LEU 188 Ca 0.09 -0.80 -0.25 0.00 0.06 0.00 0.00 54.13 53.24 3epe s LEU 188 Cb -0.17 1.79 -0.08 0.00 -0.56 0.00 0.00 46.19 47.17 3epe s LEU 188 CO 0.11 -1.08 1.20 -1.61 -1.06 0.00 0.00 176.35 173.91 3epe s GLU 189 N -3.97 3.93 0.39 1.48 2.02 -1.26 0.19 118.70 121.47 3epe s GLU 189 Ca 0.18 1.89 0.14 0.00 0.02 0.00 0.00 54.97 57.19 3epe s GLU 189 Cb -0.00 -2.60 0.97 0.00 0.10 0.00 0.00 34.13 32.59 3epe s GLU 189 CO 0.04 -0.44 1.85 0.66 0.02 0.00 0.00 175.26 177.40 3epe h SER 190 N 2.45 0.52 0.11 -0.19 4.64 -1.10 -1.34 113.55 118.64 3epe h SER 190 Ca -0.49 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3epe h SER 190 Cb 1.24 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3epe h SER 190 CO 0.62 0.22 -0.07 0.71 -0.87 0.00 0.00 176.83 177.44 3epe h THR 191 N 0.53 0.85 -0.73 2.95 1.35 -1.91 0.92 112.91 116.87 3epe h THR 191 Ca 0.47 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 66.27 3epe h THR 191 Cb 0.99 0.85 -0.03 0.00 -1.73 0.00 0.00 68.15 68.23 3epe h THR 191 CO -0.20 0.00 0.21 0.24 -0.25 0.00 0.00 175.52 175.52 3epe h MET 192 N -0.18 1.15 0.04 4.72 2.86 -1.68 -2.14 114.93 119.70 3epe h MET 192 Ca -0.01 -0.26 -0.00 0.00 -2.06 0.00 0.00 59.70 57.37 3epe h MET 192 Cb 0.15 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.65 3epe h MET 192 CO 0.01 0.99 -0.02 -0.97 1.06 0.00 0.00 176.91 177.98 3epe h ASN 193 N 1.10 -0.04 -0.62 1.22 -0.73 -1.04 -1.53 115.58 113.94 3epe h ASN 193 Ca 0.23 -0.14 -0.03 0.00 1.87 0.00 0.00 56.30 58.23 3epe h ASN 193 Cb 0.33 0.01 -0.03 0.00 0.27 0.00 0.00 38.32 38.90 3epe h ASN 193 CO -0.00 0.12 0.28 -0.33 -0.37 0.00 0.00 177.43 177.12 3epe h GLU 194 N -0.20 0.94 0.24 6.67 5.08 -0.80 -1.26 114.58 125.24 3epe h GLU 194 Ca -0.01 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3epe h GLU 194 Cb 0.18 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3epe h GLU 194 CO 0.01 0.75 -0.12 -0.92 -1.00 0.00 0.00 179.01 177.73 3epe h TYR 195 N 0.93 -0.30 -0.39 4.33 3.20 -1.22 -3.13 116.97 120.38 3epe h TYR 195 Ca 0.22 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.09 3epe h TYR 195 Cb 0.15 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 3epe h TYR 195 CO 0.01 -0.09 0.26 1.15 -1.64 0.00 0.00 178.16 177.86 3epe h THR 196 N -0.47 1.09 0.00 1.81 2.02 -0.93 -1.30 112.91 115.14 3epe h THR 196 Ca -0.03 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 3epe h THR 196 Cb 0.35 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3epe h THR 196 CO 0.05 0.10 -0.04 -0.08 0.37 0.00 0.00 175.52 175.92 3epe h GLU 197 N 0.52 0.00 -0.50 6.66 4.81 -1.18 -2.10 114.58 122.80 3epe h GLU 197 Ca 0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3epe h GLU 197 Cb -0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3epe h GLU 197 CO -0.03 0.04 0.00 1.04 -0.73 0.00 0.00 179.01 179.32 3epe n GLN 198 N -3.43 3.95 -4.83 1.92 1.13 -0.49 -4.81 117.38 110.81 3epe n GLN 198 Ca -0.02 -2.94 -0.32 0.00 -1.94 0.00 0.00 57.00 51.78 3epe n GLN 198 Cb 0.15 -2.00 -0.13 0.00 0.11 0.00 0.00 30.24 28.38 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 -2.43 2.32 0.46 -1.09 1.81 -0.79 0.17 118.95 119.39 3epe s ARG 199 Ca 0.49 -0.82 -0.24 0.00 -1.72 0.00 0.00 55.73 53.43 3epe s ARG 199 Cb 0.36 -2.28 -0.08 0.00 -0.45 0.00 0.00 34.95 32.49 3epe s ARG 199 CO 0.16 0.59 1.29 1.63 -0.68 0.00 0.00 175.30 178.29 3epe n LYS 200 N 2.02 1.87 -0.15 3.54 5.02 -1.26 -0.98 118.16 128.22 3epe n LYS 200 Ca -0.17 0.67 0.01 0.00 -2.02 0.00 0.00 58.31 56.81 3epe n LYS 200 Cb 0.52 -2.44 0.07 0.00 -0.02 0.00 0.00 35.03 33.16 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 -0.24 1.65 -3.69 1.97 -0.04 -1.26 -4.96 135.00 128.42 3epe n PRO 201 Ca 0.07 -0.53 -0.24 0.00 -0.04 0.00 0.00 63.50 62.76 3epe n PRO 201 Cb 0.41 -1.61 0.06 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.99 2.26 -4.54 0.00 5.75 -1.26 -5.00 116.55 110.77 3epe n ASP 203 Ca -0.08 -1.75 -0.24 0.00 -0.01 0.00 0.00 54.79 52.71 3epe n ASP 203 Cb 0.59 -0.10 -0.09 0.00 -1.03 0.00 0.00 41.12 40.49 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 -0.86 2.68 -0.17 2.12 -4.23 -1.26 -1.07 115.64 112.84 3epe s THR 204 Ca 0.13 -2.21 -0.15 0.00 -1.18 0.00 0.00 61.69 58.28 3epe s THR 204 Cb 0.07 -2.54 0.04 0.00 1.34 0.00 0.00 72.50 71.42 3epe s THR 204 CO 0.10 -0.34 0.45 -0.32 -0.54 0.00 0.00 174.62 173.97 3epe s MET 205 N -3.59 0.52 -0.02 3.99 1.75 -0.49 -4.68 119.30 116.77 3epe s MET 205 Ca 0.31 0.64 -0.28 0.00 -1.25 0.00 0.00 55.69 55.12 3epe s MET 205 Cb -0.03 0.24 -0.03 0.00 2.84 0.00 0.00 34.83 37.84 3epe s MET 205 CO 0.17 -0.07 0.88 0.21 -0.65 0.00 0.00 175.02 175.56 3epe s LYS 206 N 0.31 4.52 0.02 4.11 2.20 -1.26 -1.43 119.74 128.21 3epe s LYS 206 Ca -0.01 1.23 0.07 0.00 -0.36 0.00 0.00 55.97 56.90 3epe s LYS 206 Cb -0.03 -3.46 -0.02 0.00 -1.51 0.00 0.00 37.83 32.81 3epe s LYS 206 CO -0.00 -0.01 -0.21 0.14 -0.36 0.00 0.00 175.35 174.90 3epe s VAL 207 N 0.94 1.71 0.06 4.02 -7.23 -0.77 -5.01 120.40 114.12 3epe s VAL 207 Ca 0.47 -1.09 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 3epe s VAL 207 Cb -0.20 -1.46 0.00 0.00 0.56 0.00 0.00 36.38 35.28 3epe s VAL 207 CO 0.24 0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.97 3epe n GLY 208 N 2.13 -1.56 3.89 2.32 0.00 -1.16 -4.09 105.19 106.73 3epe n GLY 208 Ca -0.16 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 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 -3.50 1.61 0.48 -0.02 0.00 -1.26 -4.92 107.32 99.71 3epe s GLY 209 Ca 0.00 -0.52 -0.22 0.00 0.00 0.00 0.00 44.72 43.98 3epe s GLY 209 CO 0.00 -0.10 1.16 -1.31 0.00 0.00 0.00 173.10 172.86 3epe s ASN 210 N -4.47 6.04 0.28 1.64 0.01 -1.26 -4.83 114.94 112.34 3epe s ASN 210 Ca 0.60 2.29 0.17 0.00 -0.71 0.00 0.00 52.86 55.21 3epe s ASN 210 Cb -0.11 -2.60 0.08 0.00 0.41 0.00 0.00 41.25 39.04 3epe s ASN 210 CO 0.50 -1.01 1.37 -0.07 -1.51 0.00 0.00 177.10 176.38 3epe h LEU 211 N 1.82 0.00 0.00 0.60 4.07 -1.13 -3.48 115.31 117.20 3epe h LEU 211 Ca -0.50 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.23 3epe h LEU 211 Cb 1.25 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.94 3epe h LEU 211 CO 0.59 0.39 -0.11 -0.90 -1.08 0.00 0.00 178.44 177.34 3epe n ASP 212 N -3.13 -1.30 -3.70 -0.43 5.68 -1.26 -4.93 116.55 107.48 3epe n ASP 212 Ca 0.01 -2.70 -0.23 0.00 -0.50 0.00 0.00 54.79 51.36 3epe n ASP 212 Cb 0.70 2.39 -0.17 0.00 -1.14 0.00 0.00 41.12 42.90 3epe n ASP 212 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 3epe s SER 213 N -2.96 1.79 0.00 -1.12 0.01 -1.26 -4.12 113.70 106.03 3epe s SER 213 Ca 0.25 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.27 3epe s SER 213 Cb -0.01 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.89 3epe s SER 213 CO 0.18 -0.26 0.00 2.29 0.41 0.00 0.00 173.24 175.87 3epe n LYS 214 N 5.21 0.00 -3.91 12.44 2.85 -0.04 -5.01 118.16 129.70 3epe n LYS 214 Ca -0.06 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.11 3epe n LYS 214 Cb 0.49 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.79 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 -0.62 0.15 0.05 2.58 0.00 -1.26 -1.34 107.32 106.87 3epe s GLY 215 Ca 0.00 -0.54 -0.16 0.00 0.00 0.00 0.00 44.72 44.01 3epe s GLY 215 CO 0.00 -0.69 0.49 -0.19 0.00 0.00 0.00 173.10 172.70 3epe s TYR 216 N -2.88 3.75 0.15 1.90 2.02 -0.46 -0.91 117.35 120.92 3epe s TYR 216 Ca -0.03 1.11 0.06 0.00 -0.37 0.00 0.00 57.07 57.84 3epe s TYR 216 Cb 0.00 -2.38 -0.04 0.00 -0.40 0.00 0.00 41.96 39.15 3epe s TYR 216 CO -0.06 0.60 -0.13 0.20 -1.57 0.00 0.00 175.55 174.59 3epe s GLY 217 N -1.17 1.16 -0.11 0.71 0.00 -0.74 -0.92 107.32 106.25 3epe s GLY 217 Ca 0.27 -1.45 -0.28 0.00 0.00 0.00 0.00 44.72 43.27 3epe s GLY 217 CO 0.16 -1.53 0.92 0.14 0.00 0.00 0.00 173.10 172.79 3epe s VAL 218 N -2.75 4.84 0.05 1.40 1.01 -1.26 -4.51 120.40 119.17 3epe s VAL 218 Ca 0.15 1.87 0.03 0.00 0.00 0.00 0.00 61.98 64.03 3epe s VAL 218 Cb -0.01 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 3epe s VAL 218 CO 0.03 0.04 -0.00 0.00 0.00 0.00 0.00 175.10 175.17 3epe s ALA 219 N 1.87 3.27 0.06 5.51 0.00 -0.53 -0.82 121.76 131.12 3epe s ALA 219 Ca 0.45 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 51.37 3epe s ALA 219 Cb -0.18 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 3epe s ALA 219 CO 0.17 0.68 -0.06 0.95 0.00 0.00 0.00 175.76 177.50 3epe s THR 220 N -1.21 0.46 0.67 0.00 -4.23 -0.43 -0.37 115.64 110.54 3epe s THR 220 Ca 0.23 -1.44 -0.13 0.00 -1.18 0.00 0.00 61.69 59.17 3epe s THR 220 Cb -0.12 -1.03 0.01 0.00 1.34 0.00 0.00 72.50 72.70 3epe s THR 220 CO 0.15 -0.66 1.08 -2.16 -0.54 0.00 0.00 174.62 172.49 3epe s PRO 221 N -2.64 2.84 0.31 3.99 0.05 -1.26 -0.94 135.00 137.34 3epe s PRO 221 Ca -0.01 1.21 -0.29 0.00 0.05 0.00 0.00 61.00 61.95 3epe s PRO 221 Cb -0.02 -1.97 -0.12 0.00 0.05 0.00 0.00 34.50 32.44 3epe s PRO 221 CO -0.03 -1.20 1.37 1.63 0.05 0.00 0.00 177.00 178.82 3epe n LYS 222 N -2.71 2.20 -0.62 4.56 4.76 -1.26 -2.23 118.16 122.86 3epe n LYS 222 Ca 0.09 0.78 0.00 0.00 -2.87 0.00 0.00 58.31 56.31 3epe n LYS 222 Cb 0.53 -2.41 0.00 0.00 -1.84 0.00 0.00 35.03 31.30 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 1.31 1.07 3.73 0.72 0.00 -1.26 -5.02 105.19 105.73 3epe n GLY 223 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.07 6.66 0.22 1.61 0.15 -0.95 -4.89 113.70 113.44 3epe s SER 224 Ca 0.00 2.59 0.20 0.00 0.70 0.00 0.00 55.95 59.44 3epe s SER 224 Cb 0.00 -2.61 0.90 0.00 -1.71 0.00 0.00 66.02 62.61 3epe s SER 224 CO 0.00 -0.73 1.60 -1.54 1.20 0.00 0.00 173.24 173.77 3epe n SER 225 N 3.14 0.49 0.03 5.45 3.41 -1.26 -2.72 113.62 122.16 3epe n SER 225 Ca 0.10 0.66 0.13 0.00 -0.26 0.00 0.00 58.87 59.50 3epe n SER 225 Cb 0.40 -0.75 0.42 0.00 -0.26 0.00 0.00 64.21 64.02 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 -2.08 0.37 0.03 1.04 4.77 -1.26 -4.41 117.00 115.46 3epe n LEU 226 Ca 0.01 0.34 -0.14 0.00 -0.03 0.00 0.00 56.01 56.19 3epe n LEU 226 Cb 0.14 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 40.79 3epe n LEU 226 CO 0.14 -0.01 0.55 -0.09 -1.33 0.00 0.00 177.39 176.65 3epe h ARG 227 N 0.00 -0.56 -0.06 3.23 2.43 -1.89 0.23 114.38 117.77 3epe h ARG 227 Ca 0.00 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3epe h ARG 227 Cb 0.58 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 3epe h ARG 227 CO 0.00 -0.37 -0.08 1.15 -1.51 0.00 0.00 179.97 179.16 3epe h THR 228 N -0.58 1.39 -0.79 0.20 2.02 -1.84 -1.41 112.91 111.89 3epe h THR 228 Ca 0.04 -1.29 0.15 0.00 0.77 0.00 0.00 66.41 66.08 3epe h THR 228 Cb 0.67 2.12 -0.10 0.00 -1.74 0.00 0.00 68.15 69.10 3epe h THR 228 CO -0.37 0.35 0.34 -0.65 0.37 0.00 0.00 175.52 175.57 3epe h PRO 229 N -0.31 0.47 -0.29 6.66 0.11 -1.78 -0.79 132.00 136.08 3epe h PRO 229 Ca 0.01 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 3epe h PRO 229 Cb 0.61 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 3epe h PRO 229 CO 0.02 0.31 0.10 0.28 -0.21 0.00 0.00 178.00 178.50 3epe h VAL 230 N 0.49 1.19 -0.20 3.15 2.07 -0.81 -0.85 116.25 121.29 3epe h VAL 230 Ca 0.44 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 67.37 3epe h VAL 230 Cb 0.66 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 3epe h VAL 230 CO -0.40 0.21 0.01 -1.13 0.02 0.00 0.00 177.57 176.28 3epe h ASN 231 N 0.30 -0.05 -0.64 0.57 -1.24 -0.78 -1.51 115.58 112.23 3epe h ASN 231 Ca 0.09 0.04 -0.06 0.00 0.71 0.00 0.00 56.30 57.08 3epe h ASN 231 Cb 0.23 0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.31 3epe h ASN 231 CO -0.00 0.00 0.18 -0.07 -1.29 0.00 0.00 177.43 176.25 3epe h LEU 232 N 0.08 0.97 -0.83 0.34 3.38 -1.05 -2.19 115.31 116.02 3epe h LEU 232 Ca 0.09 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3epe h LEU 232 Cb 0.11 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3epe h LEU 232 CO -0.15 0.93 0.51 0.00 0.09 0.00 0.00 178.44 179.82 3epe h ALA 233 N 1.20 1.06 -0.38 1.53 0.00 -0.89 0.12 119.26 121.90 3epe h ALA 233 Ca 0.21 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3epe h ALA 233 Cb 0.32 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3epe h ALA 233 CO -0.00 0.52 0.05 0.28 0.00 0.00 0.00 179.25 180.09 3epe h VAL 234 N 1.14 1.24 -0.67 0.00 2.07 -1.01 -0.38 116.25 118.65 3epe h VAL 234 Ca 0.30 -0.88 -0.08 0.00 0.82 0.00 0.00 66.70 66.86 3epe h VAL 234 Cb -0.06 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3epe h VAL 234 CO -0.06 0.30 0.09 -0.07 0.02 0.00 0.00 177.57 177.85 3epe h LEU 235 N 0.47 1.07 -0.38 2.57 3.38 -1.13 0.16 115.31 121.45 3epe h LEU 235 Ca 0.11 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.84 3epe h LEU 235 Cb 0.38 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3epe h LEU 235 CO 0.01 1.07 0.20 0.50 0.09 0.00 0.00 178.44 180.31 3epe h LYS 236 N 1.03 0.39 -0.63 1.13 1.63 -0.55 -1.04 116.57 118.53 3epe h LYS 236 Ca 0.20 -0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.89 3epe h LYS 236 Cb 0.46 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 3epe h LYS 236 CO 0.02 0.26 0.07 -0.07 -3.45 0.00 0.00 179.45 176.27 3epe h LEU 237 N 0.40 1.02 0.22 5.20 3.38 -0.77 -1.32 115.31 123.45 3epe h LEU 237 Ca 0.16 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3epe h LEU 237 Cb 0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3epe h LEU 237 CO -0.10 1.04 -0.20 -1.28 0.09 0.00 0.00 178.44 177.99 3epe h SER 238 N 0.99 -0.53 0.71 -0.43 0.87 -0.80 -1.54 113.55 112.82 3epe h SER 238 Ca 0.19 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.75 3epe h SER 238 Cb 0.47 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 3epe h SER 238 CO 0.02 -0.30 -0.22 -0.33 -0.53 0.00 0.00 176.83 175.46 3epe h GLU 239 N -0.44 0.00 -0.00 2.24 5.08 -0.98 -2.31 114.58 118.16 3epe h GLU 239 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3epe h GLU 239 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3epe h GLU 239 CO -0.04 0.22 -0.17 0.00 -1.00 0.00 0.00 179.01 178.02 3epe n ALA 240 N -2.26 2.87 -0.63 3.43 0.00 -0.51 -4.94 120.51 118.47 3epe n ALA 240 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3epe n ALA 240 Cb 0.38 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 1.34 0.78 0.29 0.00 0.00 -0.87 -4.95 105.19 101.78 3epe n GLY 241 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 1.26 -0.83 1.61 2.07 -1.50 -1.64 116.25 117.23 3epe h VAL 242 Ca 0.00 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 3epe h VAL 242 Cb 0.00 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 3epe h VAL 242 CO 0.00 0.43 0.42 -0.07 0.02 0.00 0.00 177.57 178.37 3epe h LEU 243 N 0.85 1.05 -0.65 2.57 3.38 -1.83 -0.09 115.31 120.58 3epe h LEU 243 Ca 0.14 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3epe h LEU 243 Cb 0.64 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3epe h LEU 243 CO 0.04 0.87 -0.08 0.44 0.09 0.00 0.00 178.44 179.80 3epe h ASP 244 N 1.16 0.96 -0.53 -0.43 3.32 -1.79 -1.38 116.42 117.73 3epe h ASP 244 Ca 0.29 -0.30 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 3epe h ASP 244 Cb 0.07 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 3epe h ASP 244 CO -0.04 1.06 0.15 0.50 -1.72 0.00 0.00 179.24 179.19 3epe h LYS 245 N 0.87 0.84 -0.34 3.56 3.64 -0.90 -1.56 116.57 122.68 3epe h LYS 245 Ca 0.14 -0.19 -0.13 0.00 -1.27 0.00 0.00 60.65 59.21 3epe h LYS 245 Cb 0.62 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 3epe h LYS 245 CO 0.04 0.78 -0.31 -0.07 -2.27 0.00 0.00 179.45 177.62 3epe h LEU 246 N 0.74 0.77 -0.40 5.20 3.38 -0.90 -0.75 115.31 123.34 3epe h LEU 246 Ca 0.17 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3epe h LEU 246 Cb 0.30 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3epe h LEU 246 CO -0.00 1.02 0.16 0.50 0.09 0.00 0.00 178.44 180.20 3epe h LYS 247 N 0.63 0.61 -0.75 1.13 3.64 -1.12 -2.04 116.57 118.66 3epe h LYS 247 Ca 0.07 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 3epe h LYS 247 Cb 0.83 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 3epe h LYS 247 CO 0.07 0.58 0.34 -0.91 -2.27 0.00 0.00 179.45 177.25 3epe h ASN 248 N 0.51 1.00 -0.58 4.20 2.35 -1.13 -0.02 115.58 121.91 3epe h ASN 248 Ca 0.13 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3epe h ASN 248 Cb 0.20 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 3epe h ASN 248 CO -0.01 0.86 0.34 0.50 -1.65 0.00 0.00 177.43 177.46 3epe h LYS 249 N 1.08 0.79 0.00 0.81 3.64 -0.96 0.20 116.57 122.13 3epe h LYS 249 Ca 0.26 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3epe h LYS 249 Cb 0.15 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3epe h LYS 249 CO -0.03 0.59 -1.65 0.91 -2.27 0.00 0.00 179.45 177.00 3epe n TRP 250 N -4.62 0.25 -0.12 1.91 7.02 -0.78 -3.83 117.44 117.27 3epe n TRP 250 Ca 0.04 0.07 -0.22 0.00 -1.02 0.00 0.00 57.50 56.37 3epe n TRP 250 Cb 0.07 -0.58 -0.08 0.00 -2.42 0.00 0.00 31.31 28.30 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 -2.30 0.17 -0.07 -5.99 8.01 -0.04 -4.75 117.44 112.47 3epe n TRP 251 Ca -0.02 0.07 -0.09 0.00 -1.31 0.00 0.00 57.50 56.15 3epe n TRP 251 Cb 0.54 -0.87 -0.07 0.00 -2.01 0.00 0.00 31.31 28.90 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 -4.34 0.00 0.09 -5.99 4.01 -0.86 -3.57 117.16 106.49 3epe n TYR 252 Ca -0.39 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.44 3epe n TYR 252 Cb 0.74 -0.54 0.57 0.00 -0.31 0.00 0.00 39.34 39.80 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 0.19 -0.60 7.72 5.19 -0.81 -1.55 116.42 126.55 3epe h ASP 253 Ca -0.31 -0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.06 3epe h ASP 253 Cb 1.52 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.96 3epe h ASP 253 CO -0.03 0.13 0.05 0.29 -3.12 0.00 0.00 179.24 176.55 3epe n LYS 254 N -4.49 4.68 -2.10 3.56 5.02 -1.25 -5.00 118.16 118.59 3epe n LYS 254 Ca 0.03 -3.16 -0.37 0.00 -2.02 0.00 0.00 58.31 52.79 3epe n LYS 254 Cb 0.22 -2.26 0.01 0.00 -0.02 0.00 0.00 35.03 32.97 3epe n LYS 254 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3epe s GLY 255 N -0.85 2.81 0.00 0.72 0.00 -0.59 -4.96 107.32 104.45 3epe s GLY 255 Ca 0.55 1.06 0.00 0.00 0.00 0.00 0.00 44.72 46.33 3epe s GLY 255 CO 0.15 1.54 0.56 1.18 0.00 0.00 0.00 173.10 176.53 3epe n GLU 256 N -0.69 -0.18 0.00 2.90 1.02 0.13 -5.04 120.64 118.77 3epe n GLU 256 Ca 0.08 -0.66 0.00 0.00 -0.02 0.00 0.00 57.16 56.57 3epe n GLU 256 Cb 0.47 -0.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 3epe n GLU 256 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31