#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dtx s PHE 2 N 0.00 3.56 0.57 1.61 0.40 -1.26 -4.97 117.98 117.90 2dtx s PHE 2 Ca 0.00 -2.34 0.29 0.00 -0.60 0.00 0.00 56.93 54.28 2dtx s PHE 2 Cb 0.00 -3.24 1.49 0.00 0.51 0.00 0.00 43.02 41.77 2dtx s PHE 2 CO 0.00 -0.97 1.94 0.66 0.70 0.00 0.00 175.22 177.54 2dtx h SER 3 N 8.10 0.00 0.99 1.36 4.64 -2.01 -0.60 113.55 126.04 2dtx h SER 3 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2dtx h SER 3 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2dtx h SER 3 CO 0.72 0.00 0.00 -2.24 -0.87 0.00 0.00 176.83 174.44 2dtx h ASP 4 N 0.00 0.00 1.24 4.97 2.03 -1.94 -2.82 116.42 119.90 2dtx h ASP 4 Ca 0.23 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.53 2dtx h ASP 4 Cb 1.13 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.63 2dtx h ASP 4 CO -0.00 0.00 0.00 0.18 -1.03 0.00 0.00 179.24 178.39 2dtx n LEU 5 N -2.70 0.67 -4.74 0.15 4.77 -0.23 -4.69 117.00 110.23 2dtx n LEU 5 Ca 0.02 0.58 -0.42 0.00 -0.03 0.00 0.00 56.01 56.17 2dtx n LEU 5 Cb 0.30 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 2dtx n LEU 5 CO 0.25 -0.24 1.27 -0.60 -1.33 0.00 0.00 177.39 176.73 2dtx s ARG 6 N -3.13 4.14 0.00 3.23 3.52 -1.07 -2.15 118.95 123.48 2dtx s ARG 6 Ca 0.10 2.55 0.00 0.00 -0.13 0.00 0.00 55.73 58.25 2dtx s ARG 6 Cb 0.12 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 30.46 2dtx s ARG 6 CO 0.54 -0.64 0.00 -0.25 -0.81 0.00 0.00 175.30 174.13 2dtx n ASP 7 N 2.74 0.00 -4.79 -2.12 10.43 0.46 -4.87 116.55 118.40 2dtx n ASP 7 Ca 0.10 0.00 -0.36 0.00 2.57 0.00 0.00 54.79 57.10 2dtx n ASP 7 Cb 0.37 -1.33 -0.05 0.00 1.84 0.00 0.00 41.12 41.95 2dtx n ASP 7 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2dtx s LYS 8 N -0.50 4.21 -0.23 -1.24 1.02 -0.92 -4.60 119.74 117.49 2dtx s LYS 8 Ca 0.00 1.43 -0.24 0.00 0.02 0.00 0.00 55.97 57.17 2dtx s LYS 8 Cb 0.00 -2.50 -0.01 0.00 -0.52 0.00 0.00 37.83 34.80 2dtx s LYS 8 CO 0.00 -0.09 0.82 0.08 -0.92 0.00 0.00 175.35 175.24 2dtx s VAL 9 N -1.74 4.86 -0.12 3.17 1.01 -1.26 -0.75 120.40 125.57 2dtx s VAL 9 Ca 0.58 1.56 0.02 0.00 0.00 0.00 0.00 61.98 64.13 2dtx s VAL 9 Cb -0.20 -4.11 0.01 0.00 0.00 0.00 0.00 36.38 32.09 2dtx s VAL 9 CO 0.25 -0.04 -0.17 -0.69 0.00 0.00 0.00 175.10 174.44 2dtx s VAL 10 N 2.65 1.68 -0.16 2.92 1.01 0.47 -1.48 120.40 127.49 2dtx s VAL 10 Ca 0.35 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 2dtx s VAL 10 Cb -0.16 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 2dtx s VAL 10 CO 0.08 0.48 0.03 -0.63 0.00 0.00 0.00 175.10 175.07 2dtx s ILE 11 N 1.00 4.55 -0.09 2.22 1.01 0.07 -0.81 121.20 129.15 2dtx s ILE 11 Ca -0.05 -0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.48 2dtx s ILE 11 Cb -0.15 -3.01 0.02 0.00 0.01 0.00 0.00 42.46 39.33 2dtx s ILE 11 CO -0.03 0.50 -0.09 -0.69 0.00 0.00 0.00 174.94 174.63 2dtx s VAL 12 N 0.12 0.98 0.27 2.92 1.01 -0.28 -0.40 120.40 125.01 2dtx s VAL 12 Ca 0.03 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.61 2dtx s VAL 12 Cb -0.13 -0.97 -0.07 0.00 0.00 0.00 0.00 36.38 35.22 2dtx s VAL 12 CO 0.01 0.34 0.58 0.42 0.00 0.00 0.00 175.10 176.45 2dtx s THR 13 N 1.27 4.93 -1.34 3.92 -4.23 -0.69 -1.40 115.64 118.10 2dtx s THR 13 Ca -0.04 0.39 -0.04 0.00 -1.18 0.00 0.00 61.69 60.83 2dtx s THR 13 Cb -0.14 -3.66 0.02 0.00 1.34 0.00 0.00 72.50 70.06 2dtx s THR 13 CO -0.03 -0.18 0.86 0.61 -0.54 0.00 0.00 174.62 175.33 2dtx n GLY 14 N -0.47 -0.37 1.57 3.99 0.00 -0.09 -3.12 105.19 106.71 2dtx n GLY 14 Ca 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 2dtx n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dtx n ALA 15 N -4.40 4.09 0.75 4.61 0.00 -1.26 -4.00 120.51 120.30 2dtx n ALA 15 Ca -0.20 -2.45 0.12 0.00 0.00 0.00 0.00 53.44 50.92 2dtx n ALA 15 Cb 0.64 -1.02 0.27 0.00 0.00 0.00 0.00 19.45 19.33 2dtx n ALA 15 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2dtx n SER 16 N -0.37 0.57 -3.76 0.00 7.64 -1.26 -3.61 113.62 112.83 2dtx n SER 16 Ca 0.34 0.11 -0.08 0.00 1.01 0.00 0.00 58.87 60.24 2dtx n SER 16 Cb 1.20 0.01 -0.02 0.00 -1.01 0.00 0.00 64.21 64.39 2dtx n SER 16 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2dtx s MET 17 N -3.09 1.63 4.24 1.43 -2.45 -1.26 -4.72 119.30 115.08 2dtx s MET 17 Ca 0.09 -0.88 0.00 0.00 -1.25 0.00 0.00 55.69 53.65 2dtx s MET 17 Cb 0.15 0.59 0.00 0.00 1.25 0.00 0.00 34.83 36.82 2dtx s MET 17 CO 0.68 -0.74 0.00 0.41 1.05 0.00 0.00 175.02 176.42 2dtx n GLY 18 N -0.43 2.61 0.28 2.11 0.00 -1.26 -2.41 105.19 106.10 2dtx n GLY 18 Ca -0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 46.02 45.67 2dtx n GLY 18 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2dtx h ILE 19 N 0.00 1.01 -0.96 -0.61 2.04 -1.91 -1.74 117.51 115.34 2dtx h ILE 19 Ca 0.00 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.61 2dtx h ILE 19 Cb 0.00 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.16 2dtx h ILE 19 CO 0.00 0.15 0.63 1.23 0.00 0.00 0.00 178.15 180.16 2dtx h GLY 20 N 0.80 1.38 1.09 5.37 0.00 -1.67 -0.41 103.07 109.63 2dtx h GLY 20 Ca 0.32 -0.49 -0.14 0.00 0.00 0.00 0.00 47.33 47.02 2dtx h GLY 20 CO -0.17 0.45 -0.27 -0.09 0.00 0.00 0.00 176.54 176.46 2dtx h ARG 21 N 1.26 0.93 -0.37 4.80 2.43 -1.06 -1.87 114.38 120.49 2dtx h ARG 21 Ca 0.37 -0.44 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 2dtx h ARG 21 Cb -0.07 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 2dtx h ARG 21 CO -0.10 1.09 0.03 0.00 -1.51 0.00 0.00 179.97 179.48 2dtx h ALA 22 N 0.81 1.35 -0.18 2.80 0.00 -0.75 0.22 119.26 123.52 2dtx h ALA 22 Ca 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2dtx h ALA 22 Cb 0.86 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2dtx h ALA 22 CO 0.08 0.45 -0.06 0.82 0.00 0.00 0.00 179.25 180.54 2dtx h ILE 23 N 0.55 1.30 -0.57 0.00 2.04 -0.91 -1.51 117.51 118.41 2dtx h ILE 23 Ca 0.12 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 2dtx h ILE 23 Cb 0.31 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 2dtx h ILE 23 CO 0.01 0.32 0.28 0.00 0.00 0.00 0.00 178.15 178.76 2dtx h ALA 24 N 0.71 0.74 -0.73 1.87 0.00 -0.94 -2.17 119.26 118.73 2dtx h ALA 24 Ca 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2dtx h ALA 24 Cb 0.51 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2dtx h ALA 24 CO 0.02 0.29 0.39 0.93 0.00 0.00 0.00 179.25 180.88 2dtx h GLU 25 N 0.77 1.01 -0.39 0.00 5.08 -0.92 -1.09 114.58 119.04 2dtx h GLU 25 Ca 0.20 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 2dtx h GLU 25 Cb 0.11 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2dtx h GLU 25 CO -0.03 0.75 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.60 2dtx h ARG 26 N 1.02 0.72 -0.18 2.33 9.65 -0.92 -1.93 114.38 125.07 2dtx h ARG 26 Ca 0.26 -0.25 -0.08 0.00 -1.10 0.00 0.00 59.98 58.81 2dtx h ARG 26 Cb 0.04 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 2dtx h ARG 26 CO -0.04 0.84 -0.23 0.74 2.80 0.00 0.00 179.97 184.08 2dtx h PHE 27 N 0.54 0.35 -0.68 2.20 -1.00 -1.06 -1.54 116.94 115.74 2dtx h PHE 27 Ca 0.11 -0.06 -0.07 0.00 2.81 0.00 0.00 57.97 60.75 2dtx h PHE 27 Cb 0.54 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 39.98 2dtx h PHE 27 CO 0.04 0.53 0.15 0.28 -1.61 0.00 0.00 178.31 177.70 2dtx h VAL 28 N 0.29 1.26 0.00 -0.55 2.07 -0.96 -1.40 116.25 116.96 2dtx h VAL 28 Ca 0.05 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 2dtx h VAL 28 Cb 0.57 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2dtx h VAL 28 CO 0.04 0.37 -0.14 0.44 0.02 0.00 0.00 177.57 178.30 2dtx h ASP 29 N 1.03 0.00 0.11 0.57 3.32 -0.65 -1.08 116.42 119.73 2dtx h ASP 29 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2dtx h ASP 29 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2dtx h ASP 29 CO 0.01 0.14 -0.01 -0.62 -1.72 0.00 0.00 179.24 177.03 2dtx n GLU 30 N -3.83 1.00 -0.69 3.56 -0.58 -0.65 -4.90 120.64 114.55 2dtx n GLU 30 Ca -0.02 -0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.54 2dtx n GLU 30 Cb 0.24 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 2dtx n GLU 30 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dtx n GLY 31 N 1.10 0.64 3.88 0.62 0.00 -0.41 -3.26 105.19 107.76 2dtx n GLY 31 Ca 0.21 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2dtx n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dtx s SER 32 N -2.10 4.73 -0.45 1.61 0.01 -0.59 -0.40 113.70 116.51 2dtx s SER 32 Ca 0.00 0.96 -0.14 0.00 1.31 0.00 0.00 55.95 58.08 2dtx s SER 32 Cb 0.00 -1.58 0.07 0.00 0.21 0.00 0.00 66.02 64.72 2dtx s SER 32 CO 0.00 -1.78 0.35 -0.54 0.41 0.00 0.00 173.24 171.68 2dtx s LYS 33 N -5.44 2.88 -0.15 12.44 1.02 0.07 -4.60 119.74 125.96 2dtx s LYS 33 Ca 0.61 -1.33 -0.05 0.00 0.02 0.00 0.00 55.97 55.21 2dtx s LYS 33 Cb -0.12 -4.02 -0.04 0.00 -0.52 0.00 0.00 37.83 33.14 2dtx s LYS 33 CO 0.51 -0.97 0.04 0.08 -0.92 0.00 0.00 175.35 174.08 2dtx s VAL 34 N 1.59 4.59 -0.10 3.17 1.01 -1.26 -0.40 120.40 128.99 2dtx s VAL 34 Ca 0.04 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.92 2dtx s VAL 34 Cb -0.23 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.14 2dtx s VAL 34 CO 0.06 0.51 -0.14 -0.63 0.00 0.00 0.00 175.10 174.90 2dtx s ILE 35 N -0.04 1.42 -0.21 2.22 1.09 0.01 -1.65 121.20 124.04 2dtx s ILE 35 Ca 0.05 -0.60 -0.15 0.00 -1.10 0.00 0.00 60.65 58.85 2dtx s ILE 35 Cb -0.12 -1.31 -0.04 0.00 -1.06 0.00 0.00 42.46 39.93 2dtx s ILE 35 CO 0.01 0.43 0.36 -0.62 -0.10 0.00 0.00 174.94 175.02 2dtx s ASP 36 N 1.01 6.38 -0.33 3.58 3.68 0.11 -1.13 116.67 129.97 2dtx s ASP 36 Ca -0.07 0.45 -0.08 0.00 2.13 0.00 0.00 52.55 54.99 2dtx s ASP 36 Cb -0.15 -2.21 0.02 0.00 -1.45 0.00 0.00 42.92 39.13 2dtx s ASP 36 CO -0.02 -0.06 0.12 -0.76 0.13 0.00 0.00 175.17 174.58 2dtx s LEU 37 N 1.31 4.24 0.17 -1.34 1.43 -0.49 -0.54 118.68 123.46 2dtx s LEU 37 Ca 0.17 -0.94 -0.21 0.00 -1.03 0.00 0.00 54.13 52.12 2dtx s LEU 37 Cb -0.15 -1.91 0.06 0.00 0.03 0.00 0.00 46.19 44.22 2dtx s LEU 37 CO 0.07 -0.29 0.59 -0.94 0.23 0.00 0.00 176.35 176.01 2dtx s SER 38 N 1.48 -0.46 0.03 2.29 1.04 -1.09 -0.91 113.70 116.07 2dtx s SER 38 Ca 0.01 -0.16 0.27 0.00 0.48 0.00 0.00 55.95 56.55 2dtx s SER 38 Cb -0.19 0.60 0.90 0.00 0.10 0.00 0.00 66.02 67.43 2dtx s SER 38 CO 0.04 -1.01 1.71 2.30 0.98 0.00 0.00 173.24 177.25 2dtx n ILE 39 N -0.37 0.08 -4.24 -1.02 -5.35 -1.07 -1.07 119.36 106.32 2dtx n ILE 39 Ca -0.15 -0.05 -0.32 0.00 -0.27 0.00 0.00 62.75 61.97 2dtx n ILE 39 Cb 0.64 -0.24 -0.08 0.00 -1.74 0.00 0.00 39.64 38.22 2dtx n ILE 39 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 2dtx s HIS 40 N -3.02 3.09 -0.15 4.28 3.76 -1.26 -4.86 115.29 117.13 2dtx s HIS 40 Ca 0.12 0.08 -0.28 0.00 -0.15 0.00 0.00 55.06 54.83 2dtx s HIS 40 Cb 0.18 -1.66 -0.01 0.00 1.11 0.00 0.00 32.58 32.20 2dtx s HIS 40 CO 0.60 0.47 0.95 0.34 -0.85 0.00 0.00 174.74 176.26 2dtx s ASP 41 N -1.70 7.11 0.00 1.40 3.68 -1.26 -4.80 116.67 121.10 2dtx s ASP 41 Ca 0.21 1.37 0.22 0.00 2.13 0.00 0.00 52.55 56.48 2dtx s ASP 41 Cb -0.12 -2.52 1.21 0.00 -1.45 0.00 0.00 42.92 40.05 2dtx s ASP 41 CO 0.12 -0.47 1.69 -0.81 0.13 0.00 0.00 175.17 175.83 2dtx n PRO 42 N 5.32 0.51 0.00 4.34 -0.04 -1.26 -4.98 135.00 138.90 2dtx n PRO 42 Ca 0.08 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2dtx n PRO 42 Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 2dtx n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dtx n GLY 43 N 0.45 1.53 3.66 0.55 0.00 -1.26 -4.58 105.19 105.54 2dtx n GLY 43 Ca 0.14 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 2dtx n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dtx s GLU 44 N 0.00 4.16 -0.07 1.61 -6.30 -1.26 -4.95 118.70 111.89 2dtx s GLU 44 Ca 0.00 2.44 -0.26 0.00 -2.50 0.00 0.00 54.97 54.65 2dtx s GLU 44 Cb 0.00 -4.08 0.06 0.00 0.00 0.00 0.00 34.13 30.11 2dtx s GLU 44 CO 0.00 -0.91 0.59 0.00 0.02 0.00 0.00 175.26 174.96 2dtx s ALA 45 N 4.26 -1.51 -2.00 6.30 0.00 -1.26 -5.03 121.76 122.51 2dtx s ALA 45 Ca 0.82 1.17 0.25 0.00 0.00 0.00 0.00 51.96 54.20 2dtx s ALA 45 Cb -0.39 -0.15 1.52 0.00 0.00 0.00 0.00 23.12 24.10 2dtx s ALA 45 CO 0.36 -0.33 1.96 1.63 0.00 0.00 0.00 175.76 179.38 2dtx n LYS 46 N 1.29 0.96 -4.43 0.00 4.01 -1.26 -4.81 118.16 113.92 2dtx n LYS 46 Ca -0.19 0.00 -0.23 0.00 -0.51 0.00 0.00 58.31 57.38 2dtx n LYS 46 Cb 0.57 -1.41 -0.10 0.00 -0.51 0.00 0.00 35.03 33.57 2dtx n LYS 46 CO 0.00 0.00 0.00 1.52 -1.11 0.00 0.00 177.40 177.81 2dtx s TYR 47 N -2.00 2.12 0.68 2.13 -0.85 -1.26 -4.98 117.35 113.19 2dtx s TYR 47 Ca 0.38 -0.40 -0.11 0.00 -0.52 0.00 0.00 57.07 56.42 2dtx s TYR 47 Cb 0.17 -0.95 -0.00 0.00 0.38 0.00 0.00 41.96 41.56 2dtx s TYR 47 CO 0.29 0.59 1.06 -0.51 -1.52 0.00 0.00 175.55 175.46 2dtx s ASP 48 N -3.32 5.50 -0.05 -0.18 -0.00 -0.66 -4.92 116.67 113.04 2dtx s ASP 48 Ca 0.26 1.61 -0.05 0.00 -0.00 0.00 0.00 52.55 54.37 2dtx s ASP 48 Cb -0.04 -2.49 0.01 0.00 -0.00 0.00 0.00 42.92 40.40 2dtx s ASP 48 CO 0.12 -1.36 0.14 -2.28 -0.00 0.00 0.00 175.17 171.79 2dtx s HIS 49 N -3.03 -0.15 -0.06 4.23 5.65 -1.26 -0.71 115.29 119.96 2dtx s HIS 49 Ca 0.58 0.37 0.04 0.00 0.25 0.00 0.00 55.06 56.30 2dtx s HIS 49 Cb -0.14 0.05 0.00 0.00 -1.18 0.00 0.00 32.58 31.32 2dtx s HIS 49 CO 0.54 -0.08 -0.16 0.42 -0.65 0.00 0.00 174.74 174.80 2dtx s ILE 50 N 0.03 1.40 -0.18 0.89 1.01 0.30 -4.92 121.20 119.74 2dtx s ILE 50 Ca -0.00 -0.67 -0.29 0.00 0.00 0.00 0.00 60.65 59.69 2dtx s ILE 50 Cb -0.01 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 2dtx s ILE 50 CO 0.00 0.41 1.65 -0.70 0.00 0.00 0.00 174.94 176.30 2dtx s GLU 51 N 0.29 3.87 -0.26 2.79 2.56 -1.26 -2.68 118.70 124.02 2dtx s GLU 51 Ca -0.09 1.81 -0.17 0.00 0.00 0.00 0.00 54.97 56.52 2dtx s GLU 51 Cb -0.14 -4.03 0.07 0.00 2.00 0.00 0.00 34.13 32.03 2dtx s GLU 51 CO 0.04 -1.20 0.64 0.00 -0.56 0.00 0.00 175.26 174.17 2dtx s ASP 53 N 1.23 6.17 0.39 0.00 -1.08 -1.26 -2.60 116.67 119.51 2dtx s ASP 53 Ca -0.07 -0.60 0.26 0.00 -0.52 0.00 0.00 52.55 51.63 2dtx s ASP 53 Cb -0.05 -2.20 1.41 0.00 -1.46 0.00 0.00 42.92 40.62 2dtx s ASP 53 CO -0.13 -0.48 1.81 -0.37 0.52 0.00 0.00 175.17 176.52 2dtx h VAL 54 N 5.65 0.00 -0.15 1.11 -1.51 -1.94 -1.05 116.25 118.36 2dtx h VAL 54 Ca -0.28 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 2dtx h VAL 54 Cb 1.12 0.64 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 2dtx h VAL 54 CO 0.75 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.44 2dtx n THR 55 N -2.43 0.18 -3.67 7.19 -2.24 -1.26 -4.31 114.28 107.73 2dtx n THR 55 Ca -0.01 -0.42 -0.38 0.00 -2.27 0.00 0.00 64.05 60.97 2dtx n THR 55 Cb 0.06 0.68 -0.10 0.00 -2.10 0.00 0.00 70.33 68.87 2dtx n THR 55 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2dtx s ASN 56 N -1.73 5.47 0.37 3.42 3.84 -0.40 -4.98 114.94 120.93 2dtx s ASN 56 Ca 0.34 -1.89 0.10 0.00 0.21 0.00 0.00 52.86 51.63 2dtx s ASN 56 Cb 0.20 -1.92 0.86 0.00 -0.55 0.00 0.00 41.25 39.84 2dtx s ASN 56 CO 0.30 -0.59 1.89 1.55 -2.79 0.00 0.00 177.10 177.46 2dtx h PRO 57 N 8.25 0.62 -0.73 0.43 0.13 -1.83 -0.76 132.00 138.10 2dtx h PRO 57 Ca -0.18 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.87 2dtx h PRO 57 Cb 1.06 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.02 2dtx h PRO 57 CO 0.76 0.41 0.29 -0.44 -0.23 0.00 0.00 178.00 178.79 2dtx h ASP 58 N 0.63 1.01 -0.31 1.44 3.45 -1.94 -0.08 116.42 120.63 2dtx h ASP 58 Ca 0.41 -0.17 -0.14 0.00 0.43 0.00 0.00 57.03 57.55 2dtx h ASP 58 Cb 0.68 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 39.19 2dtx h ASP 58 CO -0.17 0.91 -0.36 1.56 -1.57 0.00 0.00 179.24 179.61 2dtx h GLN 59 N 1.05 0.79 0.09 3.56 4.20 -1.62 -2.17 115.11 121.01 2dtx h GLN 59 Ca 0.24 -0.44 -0.00 0.00 0.06 0.00 0.00 58.65 58.51 2dtx h GLN 59 Cb 0.22 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2dtx h GLN 59 CO -0.02 1.07 -0.04 0.28 -0.67 0.00 0.00 178.83 179.44 2dtx h VAL 60 N 0.56 0.98 -0.65 -0.54 2.07 -0.97 -0.56 116.25 117.14 2dtx h VAL 60 Ca 0.04 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.34 2dtx h VAL 60 Cb 0.95 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 2dtx h VAL 60 CO 0.09 0.07 0.39 0.50 0.02 0.00 0.00 177.57 178.63 2dtx h LYS 61 N -0.24 0.72 -0.72 1.57 3.64 -1.06 -1.25 116.57 119.24 2dtx h LYS 61 Ca -0.01 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 2dtx h LYS 61 Cb 0.20 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 2dtx h LYS 61 CO 0.02 0.48 0.18 0.00 -2.27 0.00 0.00 179.45 177.86 2dtx h ALA 62 N 1.30 0.95 -0.48 5.00 0.00 -1.20 -1.49 119.26 123.33 2dtx h ALA 62 Ca 0.27 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2dtx h ALA 62 Cb 0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2dtx h ALA 62 CO -0.13 0.67 0.01 0.77 0.00 0.00 0.00 179.25 180.58 2dtx h SER 63 N 1.09 0.83 0.27 0.00 0.02 -0.74 -1.03 113.55 113.99 2dtx h SER 63 Ca 0.23 -0.30 -0.08 0.00 -0.84 0.00 0.00 61.79 60.80 2dtx h SER 63 Cb 0.37 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 2dtx h SER 63 CO 0.00 0.92 -0.33 0.40 -1.14 0.00 0.00 176.83 176.69 2dtx h ILE 64 N 0.70 1.25 -0.29 3.27 2.04 -1.08 -1.46 117.51 121.96 2dtx h ILE 64 Ca 0.14 -1.21 -0.17 0.00 1.00 0.00 0.00 64.86 64.62 2dtx h ILE 64 Cb 0.50 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 38.16 2dtx h ILE 64 CO 0.02 0.35 -0.48 0.44 0.00 0.00 0.00 178.15 178.49 2dtx h ASP 65 N 0.08 0.92 -0.51 1.72 3.32 -0.96 -1.77 116.42 119.23 2dtx h ASP 65 Ca 0.01 -0.52 -0.03 0.00 0.02 0.00 0.00 57.03 56.51 2dtx h ASP 65 Cb 0.62 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 2dtx h ASP 65 CO 0.05 1.27 0.24 -0.74 -1.72 0.00 0.00 179.24 178.33 2dtx h HIS 66 N 0.60 0.78 -0.09 4.55 -0.00 -0.68 -1.87 115.15 118.44 2dtx h HIS 66 Ca 0.02 -0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.28 2dtx h HIS 66 Cb 1.08 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 28.25 2dtx h HIS 66 CO 0.08 0.59 -0.27 0.82 -0.00 0.00 0.00 177.93 179.14 2dtx h ILE 67 N 0.78 1.41 -0.43 6.26 2.04 -1.14 -2.43 117.51 123.99 2dtx h ILE 67 Ca 0.19 -1.62 -0.06 0.00 1.00 0.00 0.00 64.86 64.37 2dtx h ILE 67 Cb 0.13 2.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 2dtx h ILE 67 CO -0.02 0.47 0.03 0.15 0.00 0.00 0.00 178.15 178.78 2dtx h PHE 68 N -0.12 0.79 -0.18 1.37 3.04 -1.19 0.64 116.94 121.29 2dtx h PHE 68 Ca -0.01 -0.12 -0.13 0.00 3.98 0.00 0.00 57.97 61.68 2dtx h PHE 68 Cb 0.89 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.18 2dtx h PHE 68 CO 0.12 0.77 -0.45 0.87 -2.02 0.00 0.00 178.31 177.60 2dtx h LYS 69 N 0.58 0.44 -0.01 1.11 1.57 -1.44 0.21 116.57 119.03 2dtx h LYS 69 Ca 0.13 -0.24 -0.20 0.00 -1.87 0.00 0.00 60.65 58.47 2dtx h LYS 69 Cb 0.44 0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.77 2dtx h LYS 69 CO 0.02 0.81 -0.77 1.49 -0.57 0.00 0.00 179.45 180.42 2dtx h GLU 70 N 0.36 0.54 0.00 3.15 4.81 -1.30 -3.37 114.58 118.77 2dtx h GLU 70 Ca 0.02 -0.57 -0.00 0.00 -0.13 0.00 0.00 59.36 58.68 2dtx h GLU 70 Cb 0.94 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 2dtx h GLU 70 CO 0.08 1.19 -1.73 0.66 -0.73 0.00 0.00 179.01 178.49 2dtx n TYR 71 N -4.07 0.27 -0.12 0.92 4.01 0.20 -5.01 117.16 113.36 2dtx n TYR 71 Ca -0.10 0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2dtx n TYR 71 Cb 0.75 -0.63 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 2dtx n TYR 71 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2dtx n GLY 72 N 1.24 1.15 3.73 2.72 0.00 0.75 -4.99 105.19 109.79 2dtx n GLY 72 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 2dtx n GLY 72 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dtx s SER 73 N -2.91 -0.07 -0.15 1.61 1.04 -1.24 -5.00 113.70 106.98 2dtx s SER 73 Ca 0.00 -0.28 -0.04 0.00 0.48 0.00 0.00 55.95 56.11 2dtx s SER 73 Cb 0.00 0.28 0.07 0.00 0.10 0.00 0.00 66.02 66.47 2dtx s SER 73 CO 0.00 -0.54 0.19 -0.63 0.98 0.00 0.00 173.24 173.25 2dtx s ILE 74 N -2.57 -0.29 -0.20 -1.02 1.01 -1.26 -4.64 121.20 112.23 2dtx s ILE 74 Ca 0.16 0.10 0.13 0.00 0.00 0.00 0.00 60.65 61.04 2dtx s ILE 74 Cb 0.02 -0.50 -0.21 0.00 0.01 0.00 0.00 42.46 41.78 2dtx s ILE 74 CO -0.01 -0.04 -0.01 -1.20 0.00 0.00 0.00 174.94 173.68 2dtx n SER 75 N 5.32 0.90 -3.89 3.58 7.64 -0.55 -4.07 113.62 122.55 2dtx n SER 75 Ca -0.05 -0.03 -0.17 0.00 1.01 0.00 0.00 58.87 59.62 2dtx n SER 75 Cb 0.50 0.62 -0.15 0.00 -1.01 0.00 0.00 64.21 64.16 2dtx n SER 75 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2dtx s VAL 76 N -2.45 0.35 -0.13 0.44 1.01 -0.72 -1.00 120.40 117.90 2dtx s VAL 76 Ca -0.15 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.75 2dtx s VAL 76 Cb 0.06 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 36.09 2dtx s VAL 76 CO 0.70 0.15 -0.17 -0.22 0.00 0.00 0.00 175.10 175.56 2dtx s LEU 77 N 0.51 1.83 -0.32 3.92 2.96 -0.96 -0.75 118.68 125.86 2dtx s LEU 77 Ca -0.06 -0.50 -0.04 0.00 -0.22 0.00 0.00 54.13 53.31 2dtx s LEU 77 Cb -0.09 -1.23 0.05 0.00 0.50 0.00 0.00 46.19 45.42 2dtx s LEU 77 CO -0.01 0.01 0.06 -0.69 -1.32 0.00 0.00 176.35 174.40 2dtx s VAL 78 N 1.12 3.42 -0.28 1.68 1.01 0.47 -0.90 120.40 126.93 2dtx s VAL 78 Ca -0.02 -1.27 -0.22 0.00 0.00 0.00 0.00 61.98 60.47 2dtx s VAL 78 Cb -0.14 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 2dtx s VAL 78 CO -0.05 -0.16 0.74 0.20 0.00 0.00 0.00 175.10 175.83 2dtx s ASN 79 N 1.35 6.66 0.00 3.32 0.01 -0.39 -1.70 114.94 124.19 2dtx s ASN 79 Ca -0.03 0.74 0.00 0.00 -0.71 0.00 0.00 52.86 52.86 2dtx s ASN 79 Cb -0.20 -2.39 0.00 0.00 0.41 0.00 0.00 41.25 39.08 2dtx s ASN 79 CO 0.01 -0.51 0.00 -3.20 -1.51 0.00 0.00 177.10 171.89 2dtx n ASN 80 N 5.98 1.58 -4.57 -1.22 5.15 -1.25 -0.81 115.26 120.11 2dtx n ASN 80 Ca 0.02 0.00 -0.57 0.00 -0.60 0.00 0.00 54.58 53.44 2dtx n ASN 80 Cb 0.48 0.12 -0.07 0.00 -0.53 0.00 0.00 39.78 39.78 2dtx n ASN 80 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dtx n ALA 81 N -1.23 -2.08 -3.83 5.20 0.00 -1.18 -4.90 120.51 112.49 2dtx n ALA 81 Ca 0.00 0.54 -0.05 0.00 0.00 0.00 0.00 53.44 53.93 2dtx n ALA 81 Cb 0.17 -1.94 0.01 0.00 0.00 0.00 0.00 19.45 17.68 2dtx n ALA 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2dtx s GLY 82 N 0.70 0.06 0.23 0.00 0.00 -1.26 -4.54 107.32 102.50 2dtx s GLY 82 Ca 0.90 -0.30 -0.14 0.00 0.00 0.00 0.00 44.72 45.17 2dtx s GLY 82 CO 0.55 0.80 0.48 -0.26 0.00 0.00 0.00 173.10 174.67 2dtx s ILE 83 N -2.70 0.01 -0.24 0.90 -4.36 -1.26 -5.01 121.20 108.54 2dtx s ILE 83 Ca 0.16 -1.23 -0.16 0.00 -0.26 0.00 0.00 60.65 59.16 2dtx s ILE 83 Cb -0.03 -2.00 0.07 0.00 1.25 0.00 0.00 42.46 41.74 2dtx s ILE 83 CO 0.06 -0.07 0.60 -0.70 0.24 0.00 0.00 174.94 175.07 2dtx s GLU 84 N -3.97 0.64 0.10 0.37 2.12 -1.26 -4.91 118.70 111.78 2dtx s GLU 84 Ca 0.18 1.00 0.01 0.00 0.36 0.00 0.00 54.97 56.52 2dtx s GLU 84 Cb -0.01 0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.51 2dtx s GLU 84 CO 0.05 -0.13 -0.05 -1.54 -0.54 0.00 0.00 175.26 173.05 2dtx s SER 85 N 1.14 1.06 0.18 -1.70 1.04 -1.26 -5.10 113.70 109.05 2dtx s SER 85 Ca -0.07 -1.02 0.09 0.00 0.48 0.00 0.00 55.95 55.43 2dtx s SER 85 Cb -0.06 0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 2dtx s SER 85 CO -0.11 -0.49 -0.08 -0.31 0.98 0.00 0.00 173.24 173.22 2dtx s TYR 86 N -3.67 2.66 0.00 5.02 2.02 -1.26 -4.82 117.35 117.30 2dtx s TYR 86 Ca 0.13 -0.21 0.00 0.00 -0.37 0.00 0.00 57.07 56.62 2dtx s TYR 86 Cb 0.06 -1.30 0.00 0.00 -0.40 0.00 0.00 41.96 40.32 2dtx s TYR 86 CO -0.04 0.51 0.00 0.41 -1.57 0.00 0.00 175.55 174.86 2dtx n GLY 87 N 0.03 3.85 3.82 0.71 0.00 0.16 -4.86 105.19 108.91 2dtx n GLY 87 Ca -0.11 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 2dtx n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dtx s LYS 88 N -2.50 3.40 0.60 1.61 1.02 -1.26 -4.26 119.74 118.36 2dtx s LYS 88 Ca 0.00 1.10 0.28 0.00 0.02 0.00 0.00 55.97 57.36 2dtx s LYS 88 Cb 0.00 -2.05 1.32 0.00 -0.52 0.00 0.00 37.83 36.58 2dtx s LYS 88 CO 0.00 -0.73 1.73 0.97 -0.92 0.00 0.00 175.35 176.40 2dtx h ILE 89 N 0.34 0.22 0.10 2.17 2.10 -1.96 0.49 117.51 120.96 2dtx h ILE 89 Ca -0.46 0.00 -0.28 0.00 1.08 0.00 0.00 64.86 65.20 2dtx h ILE 89 Cb 1.21 0.45 0.02 0.00 -1.09 0.00 0.00 36.82 37.41 2dtx h ILE 89 CO 0.58 0.00 -1.18 -0.33 -1.08 0.00 0.00 178.15 176.15 2dtx h GLU 90 N 0.00 0.47 0.07 2.19 4.39 -2.02 -3.39 114.58 116.29 2dtx h GLU 90 Ca 0.26 -0.63 -0.32 0.00 0.34 0.00 0.00 59.36 59.00 2dtx h GLU 90 Cb 1.59 0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 30.42 2dtx h GLU 90 CO -0.00 1.27 -1.78 -1.13 -1.16 0.00 0.00 179.01 176.21 2dtx n SER 91 N -3.70 2.02 -4.76 1.42 3.41 0.09 -4.92 113.62 107.18 2dtx n SER 91 Ca -0.11 0.28 -0.41 0.00 -0.26 0.00 0.00 58.87 58.37 2dtx n SER 91 Cb 0.96 -0.88 -0.01 0.00 -0.26 0.00 0.00 64.21 64.02 2dtx n SER 91 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2dtx s MET 92 N -2.48 4.11 0.65 4.33 -2.45 -0.77 -4.94 119.30 117.75 2dtx s MET 92 Ca -0.26 2.59 -0.16 0.00 -1.25 0.00 0.00 55.69 56.61 2dtx s MET 92 Cb 0.07 -3.01 -0.00 0.00 1.25 0.00 0.00 34.83 33.14 2dtx s MET 92 CO 0.68 -0.62 1.16 -1.54 1.05 0.00 0.00 175.02 175.75 2dtx s SER 93 N 0.37 4.94 0.31 1.11 1.04 -1.26 -4.87 113.70 115.34 2dtx s SER 93 Ca 0.61 2.19 0.01 0.00 0.48 0.00 0.00 55.95 59.24 2dtx s SER 93 Cb -0.48 -2.57 0.50 0.00 0.10 0.00 0.00 66.02 63.57 2dtx s SER 93 CO 0.51 -1.75 1.86 0.24 0.98 0.00 0.00 173.24 175.08 2dtx h MET 94 N 0.24 0.69 -0.72 4.02 2.86 -1.94 -1.76 114.93 118.32 2dtx h MET 94 Ca -0.48 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.01 2dtx h MET 94 Cb 1.27 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.79 2dtx h MET 94 CO 0.53 0.65 0.39 0.78 1.06 0.00 0.00 176.91 180.33 2dtx h GLY 95 N 0.90 1.07 1.50 8.32 0.00 -1.99 -0.16 103.07 112.70 2dtx h GLY 95 Ca 0.15 -0.48 -0.15 0.00 0.00 0.00 0.00 47.33 46.84 2dtx h GLY 95 CO 0.00 0.47 -0.51 -2.09 0.00 0.00 0.00 176.54 174.41 2dtx h GLU 96 N 0.99 0.53 -0.09 4.80 4.57 -1.85 -1.31 114.58 122.21 2dtx h GLU 96 Ca 0.25 -0.32 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 2dtx h GLU 96 Cb 0.04 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 2dtx h GLU 96 CO -0.04 0.92 0.03 2.35 -1.18 0.00 0.00 179.01 181.08 2dtx h TRP 97 N 0.42 0.16 -0.94 0.92 7.01 -0.99 -2.30 115.95 120.23 2dtx h TRP 97 Ca 0.02 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 2dtx h TRP 97 Cb 1.03 -0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 28.00 2dtx h TRP 97 CO 0.04 0.32 0.57 0.00 -2.79 0.00 0.00 178.44 176.57 2dtx h ARG 98 N -0.05 1.28 -0.70 2.65 3.08 -0.97 -2.70 114.38 116.97 2dtx h ARG 98 Ca 0.03 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 59.98 2dtx h ARG 98 Cb 0.24 -0.27 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 2dtx h ARG 98 CO -0.00 0.90 0.46 -0.09 -1.07 0.00 0.00 179.97 180.17 2dtx h ARG 99 N 1.30 0.90 -0.85 0.04 9.65 -1.01 0.23 114.38 124.64 2dtx h ARG 99 Ca 0.34 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 59.14 2dtx h ARG 99 Cb -0.05 -0.20 -0.04 0.00 -1.39 0.00 0.00 29.97 28.28 2dtx h ARG 99 CO -0.06 0.60 0.43 0.82 2.80 0.00 0.00 179.97 184.56 2dtx h ILE 100 N 0.93 1.26 -0.56 1.20 2.04 -1.15 -0.22 117.51 121.00 2dtx h ILE 100 Ca 0.26 -0.68 -0.11 0.00 1.00 0.00 0.00 64.86 65.33 2dtx h ILE 100 Cb -0.08 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.13 2dtx h ILE 100 CO -0.07 0.30 -0.08 0.40 0.00 0.00 0.00 178.15 178.71 2dtx h ILE 101 N 1.20 1.27 -0.27 -0.67 1.08 -1.06 -0.93 117.51 118.13 2dtx h ILE 101 Ca 0.30 -1.23 -0.00 0.00 -0.39 0.00 0.00 64.86 63.53 2dtx h ILE 101 Cb 0.08 0.91 -0.01 0.00 -3.07 0.00 0.00 36.82 34.73 2dtx h ILE 101 CO -0.04 0.44 0.17 0.44 -0.69 0.00 0.00 178.15 178.46 2dtx h ASP 102 N 0.93 0.32 0.06 1.72 3.45 0.42 -0.21 116.42 123.10 2dtx h ASP 102 Ca 0.15 -0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.56 2dtx h ASP 102 Cb 0.64 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.33 2dtx h ASP 102 CO 0.04 0.27 -0.03 0.58 -1.57 0.00 0.00 179.24 178.54 2dtx h VAL 103 N 0.35 1.28 0.00 -1.35 2.07 -1.04 -0.53 116.25 117.02 2dtx h VAL 103 Ca 0.10 -1.34 -0.09 0.00 0.82 0.00 0.00 66.70 66.18 2dtx h VAL 103 Cb 0.01 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 2dtx h VAL 103 CO -0.02 0.32 -0.45 0.78 0.02 0.00 0.00 177.57 178.23 2dtx h ASN 104 N -0.70 0.00 0.00 0.57 4.21 -1.20 -3.15 115.58 115.31 2dtx h ASN 104 Ca -0.01 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.46 2dtx h ASN 104 Cb 0.59 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.78 2dtx h ASN 104 CO 0.01 0.45 -0.65 -0.11 -1.29 0.00 0.00 177.43 175.84 2dtx n LEU 105 N -3.54 1.24 0.18 1.61 7.94 -0.13 -4.55 117.00 119.75 2dtx n LEU 105 Ca -0.00 0.19 0.04 0.00 -1.11 0.00 0.00 56.01 55.13 2dtx n LEU 105 Cb 0.56 -0.44 0.46 0.00 0.53 0.00 0.00 43.42 44.53 2dtx n LEU 105 CO 0.38 -0.39 0.91 -0.26 -1.11 0.00 0.00 177.39 176.91 2dtx h PHE 106 N -0.36 0.10 -0.84 1.96 0.04 -0.95 -1.28 116.94 115.61 2dtx h PHE 106 Ca -0.06 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 2dtx h PHE 106 Cb 0.57 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.65 2dtx h PHE 106 CO -0.13 0.25 0.49 0.78 -0.60 0.00 0.00 178.31 179.11 2dtx h GLY 107 N 0.61 1.24 1.10 -1.45 0.00 -1.06 0.20 103.07 103.71 2dtx h GLY 107 Ca 0.02 -0.53 -0.11 0.00 0.00 0.00 0.00 47.33 46.70 2dtx h GLY 107 CO 0.02 0.51 -0.09 -0.97 0.00 0.00 0.00 176.54 176.01 2dtx h TYR 108 N 1.17 1.17 -0.15 5.60 -1.99 -1.50 -2.11 116.97 119.15 2dtx h TYR 108 Ca 0.30 -0.24 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 2dtx h TYR 108 Cb -0.02 -0.29 -0.01 0.00 2.00 0.00 0.00 36.73 38.41 2dtx h TYR 108 CO 0.00 1.07 0.05 -0.92 -0.00 0.00 0.00 178.16 178.36 2dtx h TYR 109 N 0.94 0.25 -0.09 4.88 5.03 -0.65 -1.40 116.97 125.92 2dtx h TYR 109 Ca 0.15 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.43 2dtx h TYR 109 Cb 0.66 -0.07 -0.00 0.00 1.55 0.00 0.00 36.73 38.87 2dtx h TYR 109 CO 0.05 0.35 0.04 1.88 -1.32 0.00 0.00 178.16 179.15 2dtx h TYR 110 N 0.07 0.14 -0.89 -3.82 0.05 -0.57 0.89 116.97 112.84 2dtx h TYR 110 Ca 0.05 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 2dtx h TYR 110 Cb 0.22 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 37.87 2dtx h TYR 110 CO -0.00 0.24 0.53 0.00 -1.05 0.00 0.00 178.16 177.87 2dtx h ALA 111 N 0.89 1.13 -0.24 3.88 0.00 -1.39 -1.89 119.26 121.64 2dtx h ALA 111 Ca 0.03 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2dtx h ALA 111 Cb 0.16 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2dtx h ALA 111 CO -0.00 0.60 -0.03 0.77 0.00 0.00 0.00 179.25 180.58 2dtx h SER 112 N 1.22 0.45 -0.72 0.00 0.02 -1.12 -1.36 113.55 112.04 2dtx h SER 112 Ca 0.32 -0.34 0.07 0.00 -0.84 0.00 0.00 61.79 60.99 2dtx h SER 112 Cb -0.04 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.32 2dtx h SER 112 CO -0.06 0.69 0.40 0.50 -1.14 0.00 0.00 176.83 177.22 2dtx h LYS 113 N 0.21 0.71 0.00 3.45 3.64 -0.50 -1.00 116.57 123.07 2dtx h LYS 113 Ca 0.06 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.25 2dtx h LYS 113 Cb 0.48 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2dtx h LYS 113 CO 0.02 0.47 -0.94 0.74 -2.27 0.00 0.00 179.45 177.46 2dtx h PHE 114 N 0.73 0.00 0.09 1.91 -1.00 -1.33 -3.36 116.94 113.98 2dtx h PHE 114 Ca 0.33 0.00 -0.28 0.00 2.81 0.00 0.00 57.97 60.83 2dtx h PHE 114 Cb 0.24 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.79 2dtx h PHE 114 CO -0.07 0.62 -1.34 0.00 -1.61 0.00 0.00 178.31 175.90 2dtx h ALA 115 N 1.38 0.26 -0.64 2.45 0.00 -1.00 -3.38 119.26 118.32 2dtx h ALA 115 Ca -0.07 -1.02 0.13 0.00 0.00 0.00 0.00 54.91 53.95 2dtx h ALA 115 Cb 1.53 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 19.34 2dtx h ALA 115 CO 0.07 1.13 0.05 0.82 0.00 0.00 0.00 179.25 181.32 2dtx h ILE 116 N 0.05 0.51 -0.49 0.00 2.04 -1.33 0.72 117.51 119.01 2dtx h ILE 116 Ca -0.16 -0.06 0.08 0.00 1.00 0.00 0.00 64.86 65.72 2dtx h ILE 116 Cb 1.96 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 2dtx h ILE 116 CO 0.17 0.03 0.33 -0.65 0.00 0.00 0.00 178.15 178.03 2dtx h PRO 117 N 0.17 0.30 0.11 2.37 0.11 -1.78 -0.72 132.00 132.56 2dtx h PRO 117 Ca 0.34 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 66.25 2dtx h PRO 117 Cb 0.56 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.61 2dtx h PRO 117 CO -0.51 0.20 -0.87 1.88 -0.21 0.00 0.00 178.00 178.49 2dtx h TYR 118 N 0.31 0.42 -0.98 0.65 -1.99 -1.44 -3.36 116.97 110.58 2dtx h TYR 118 Ca 0.22 -0.31 0.09 0.00 2.00 0.00 0.00 58.73 60.74 2dtx h TYR 118 Cb 0.47 -0.02 -0.07 0.00 2.00 0.00 0.00 36.73 39.12 2dtx h TYR 118 CO -0.00 1.33 0.63 0.52 -0.00 0.00 0.00 178.16 180.64 2dtx h MET 119 N -0.47 1.04 0.00 4.88 2.86 -0.29 -1.55 114.93 121.40 2dtx h MET 119 Ca -0.17 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 2dtx h MET 119 Cb 1.57 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.99 2dtx h MET 119 CO 0.09 0.69 0.00 0.44 1.06 0.00 0.00 176.91 179.19 2dtx n ILE 120 N -4.54 0.65 1.20 -1.22 -5.35 -0.33 -1.56 119.36 108.21 2dtx n ILE 120 Ca 0.16 0.16 0.13 0.00 -0.27 0.00 0.00 62.75 62.93 2dtx n ILE 120 Cb 0.26 -0.92 0.37 0.00 -1.74 0.00 0.00 39.64 37.60 2dtx n ILE 120 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2dtx n ARG 121 N -1.31 0.65 -3.52 6.28 1.74 -0.58 -4.86 116.66 115.07 2dtx n ARG 121 Ca 0.06 -0.37 -0.20 0.00 -0.77 0.00 0.00 57.85 56.57 2dtx n ARG 121 Cb 0.12 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 2dtx n ARG 121 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2dtx s SER 122 N -2.60 5.20 -0.06 0.55 1.04 -0.60 -5.09 113.70 112.13 2dtx s SER 122 Ca 0.22 -0.65 -0.18 0.00 0.48 0.00 0.00 55.95 55.82 2dtx s SER 122 Cb 0.19 -0.66 -0.05 0.00 0.10 0.00 0.00 66.02 65.60 2dtx s SER 122 CO 0.55 -0.62 0.48 0.00 0.98 0.00 0.00 173.24 174.64 2dtx s ARG 123 N -4.14 4.23 -1.28 4.02 1.70 -1.26 -4.44 118.95 117.77 2dtx s ARG 123 Ca 0.48 0.50 -0.12 0.00 -0.47 0.00 0.00 55.73 56.12 2dtx s ARG 123 Cb -0.05 -3.36 0.00 0.00 -0.57 0.00 0.00 34.95 30.98 2dtx s ARG 123 CO 0.28 0.35 0.59 -0.25 -1.08 0.00 0.00 175.30 175.19 2dtx n ASP 124 N 2.96 -2.66 -4.78 -2.89 8.00 -1.26 -4.96 116.55 110.95 2dtx n ASP 124 Ca -0.09 -1.05 -0.31 0.00 0.71 0.00 0.00 54.79 54.05 2dtx n ASP 124 Cb 0.52 -3.01 0.07 0.00 -0.02 0.00 0.00 41.12 38.68 2dtx n ASP 124 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2dtx s PRO 125 N -6.44 2.54 -0.11 -0.24 0.04 -1.24 -4.92 135.00 124.63 2dtx s PRO 125 Ca 0.24 1.15 -0.08 0.00 0.04 0.00 0.00 61.00 62.34 2dtx s PRO 125 Cb -0.10 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.55 2dtx s PRO 125 CO 0.89 -1.42 0.29 0.45 0.04 0.00 0.00 177.00 177.24 2dtx s SER 126 N -3.36 -0.31 -0.09 6.66 0.15 -0.17 -2.23 113.70 114.35 2dtx s SER 126 Ca 0.61 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.86 2dtx s SER 126 Cb -0.17 0.55 -0.03 0.00 -1.71 0.00 0.00 66.02 64.67 2dtx s SER 126 CO 0.53 -0.13 -0.09 -0.63 1.20 0.00 0.00 173.24 174.12 2dtx s ILE 127 N 0.63 3.50 -0.13 6.45 1.01 -0.10 -2.27 121.20 130.29 2dtx s ILE 127 Ca -0.04 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.09 2dtx s ILE 127 Cb -0.05 -2.45 0.02 0.00 0.01 0.00 0.00 42.46 39.99 2dtx s ILE 127 CO -0.04 0.56 -0.15 -0.69 0.00 0.00 0.00 174.94 174.63 2dtx s VAL 128 N -0.37 1.56 -0.17 2.92 1.01 -0.07 -1.80 120.40 123.47 2dtx s VAL 128 Ca 0.05 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 2dtx s VAL 128 Cb -0.12 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2dtx s VAL 128 CO 0.02 0.45 0.03 0.20 0.00 0.00 0.00 175.10 175.81 2dtx s ASN 129 N 1.22 5.39 -0.42 3.32 0.01 0.39 -1.26 114.94 123.59 2dtx s ASN 129 Ca -0.01 0.02 -0.24 0.00 -0.71 0.00 0.00 52.86 51.92 2dtx s ASN 129 Cb -0.14 -1.91 0.02 0.00 0.41 0.00 0.00 41.25 39.63 2dtx s ASN 129 CO -0.06 0.18 0.86 -0.63 -1.51 0.00 0.00 177.10 175.93 2dtx s ILE 130 N 0.34 4.60 0.00 0.60 -1.09 0.01 -1.22 121.20 124.43 2dtx s ILE 130 Ca 0.01 0.79 0.00 0.00 -2.23 0.00 0.00 60.65 59.22 2dtx s ILE 130 Cb -0.13 -4.33 0.00 0.00 -1.58 0.00 0.00 42.46 36.42 2dtx s ILE 130 CO 0.01 -0.66 0.00 -0.24 -1.23 0.00 0.00 174.94 172.82 2dtx n SER 131 N 6.81 0.00 -3.56 3.58 2.88 0.38 -4.87 113.62 118.83 2dtx n SER 131 Ca 0.05 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.52 2dtx n SER 131 Cb 0.48 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.92 2dtx n SER 131 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dtx s SER 132 N -0.91 -0.23 0.64 -3.46 0.15 -1.25 -4.55 113.70 104.08 2dtx s SER 132 Ca 0.00 0.03 0.41 0.00 0.70 0.00 0.00 55.95 57.09 2dtx s SER 132 Cb 0.00 0.24 2.21 0.00 -1.71 0.00 0.00 66.02 66.76 2dtx s SER 132 CO 0.00 -0.38 2.31 1.62 1.20 0.00 0.00 173.24 177.99 2dtx h VAL 133 N 2.04 0.09 0.00 4.45 3.04 -0.93 -1.22 116.25 123.72 2dtx h VAL 133 Ca -0.14 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 2dtx h VAL 133 Cb 1.19 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 2dtx h VAL 133 CO 0.26 0.01 0.00 0.00 -1.01 0.00 0.00 177.57 176.83 2dtx n GLN 134 N -3.21 0.77 0.00 4.17 6.02 -1.23 -0.90 117.38 123.00 2dtx n GLN 134 Ca -0.03 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.10 2dtx n GLN 134 Cb 0.10 -1.03 0.59 0.00 1.02 0.00 0.00 30.24 30.92 2dtx n GLN 134 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dtx n ALA 135 N -0.53 2.46 -0.20 -1.58 0.00 -0.46 -4.55 120.51 115.65 2dtx n ALA 135 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2dtx n ALA 135 Cb 0.01 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.02 2dtx n ALA 135 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dtx n SER 136 N -1.49 0.00 -4.71 0.00 2.88 -0.08 -4.86 113.62 105.36 2dtx n SER 136 Ca 0.07 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.26 2dtx n SER 136 Cb 0.33 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.71 2dtx n SER 136 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 2dtx s ILE 137 N -0.80 5.22 0.40 2.46 -4.36 -0.86 -5.09 121.20 118.17 2dtx s ILE 137 Ca 0.00 0.12 0.08 0.00 -0.26 0.00 0.00 60.65 60.59 2dtx s ILE 137 Cb 0.00 -3.37 -0.07 0.00 1.25 0.00 0.00 42.46 40.28 2dtx s ILE 137 CO 0.00 0.46 0.06 0.27 0.24 0.00 0.00 174.94 175.97 2dtx s ILE 138 N 0.24 2.19 0.36 8.37 -4.36 -1.26 -3.52 121.20 123.22 2dtx s ILE 138 Ca 0.07 -1.91 0.08 0.00 -0.26 0.00 0.00 60.65 58.62 2dtx s ILE 138 Cb -0.11 -2.95 -0.03 0.00 1.25 0.00 0.00 42.46 40.62 2dtx s ILE 138 CO -0.01 -0.04 0.27 0.42 0.24 0.00 0.00 174.94 175.82 2dtx s THR 139 N -2.64 3.17 0.35 8.37 -4.23 -1.26 -5.10 115.64 114.29 2dtx s THR 139 Ca 0.37 -1.46 -0.12 0.00 -1.18 0.00 0.00 61.69 59.30 2dtx s THR 139 Cb 0.06 -3.09 -0.07 0.00 1.34 0.00 0.00 72.50 70.74 2dtx s THR 139 CO 0.20 -0.13 0.73 -0.75 -0.54 0.00 0.00 174.62 174.13 2dtx s LYS 140 N -3.99 3.87 -1.56 3.99 2.20 -1.26 -4.17 119.74 118.83 2dtx s LYS 140 Ca 0.42 0.52 -0.05 0.00 -0.36 0.00 0.00 55.97 56.50 2dtx s LYS 140 Cb -0.04 -2.43 0.01 0.00 -1.51 0.00 0.00 37.83 33.86 2dtx s LYS 140 CO 0.26 0.08 0.55 0.09 -0.36 0.00 0.00 175.35 175.97 2dtx n ASN 141 N -0.82 -5.96 -2.06 1.43 3.02 -1.26 -4.89 115.26 104.71 2dtx n ASN 141 Ca 0.03 -0.27 -0.01 0.00 -0.03 0.00 0.00 54.58 54.30 2dtx n ASN 141 Cb 0.53 -4.83 0.05 0.00 -0.61 0.00 0.00 39.78 34.93 2dtx n ASN 141 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dtx n ALA 142 N -3.44 2.89 -0.19 5.41 0.00 -1.26 -0.66 120.51 123.26 2dtx n ALA 142 Ca -0.12 -2.79 -0.01 0.00 0.00 0.00 0.00 53.44 50.53 2dtx n ALA 142 Cb 0.62 -0.72 0.09 0.00 0.00 0.00 0.00 19.45 19.45 2dtx n ALA 142 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2dtx h SER 143 N 1.85 0.22 -0.54 0.00 4.64 -1.87 0.14 113.55 117.98 2dtx h SER 143 Ca -0.10 0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 2dtx h SER 143 Cb 1.50 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.62 2dtx h SER 143 CO 0.20 0.14 0.19 0.00 -0.87 0.00 0.00 176.83 176.49 2dtx h ALA 144 N 1.39 0.70 -0.00 5.18 0.00 -1.91 0.15 119.26 124.78 2dtx h ALA 144 Ca 0.29 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2dtx h ALA 144 Cb 0.34 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2dtx h ALA 144 CO -0.29 0.34 0.00 -0.92 0.00 0.00 0.00 179.25 178.38 2dtx h TYR 145 N 0.74 0.00 -0.68 0.00 3.20 -1.72 -0.61 116.97 117.90 2dtx h TYR 145 Ca 0.18 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2dtx h TYR 145 Cb 0.24 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 2dtx h TYR 145 CO 0.01 0.15 0.44 0.28 -1.64 0.00 0.00 178.16 177.40 2dtx h VAL 146 N -0.15 1.18 -0.34 1.81 2.07 -0.61 -1.49 116.25 118.71 2dtx h VAL 146 Ca 0.00 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2dtx h VAL 146 Cb 0.15 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 2dtx h VAL 146 CO -0.00 0.18 0.19 0.74 0.02 0.00 0.00 177.57 178.70 2dtx h THR 147 N 0.92 1.14 -0.69 2.57 2.02 -0.85 -1.92 112.91 116.10 2dtx h THR 147 Ca 0.25 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2dtx h THR 147 Cb -0.08 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 2dtx h THR 147 CO -0.05 0.14 0.40 0.77 0.37 0.00 0.00 175.52 177.15 2dtx h SER 148 N 0.43 0.83 0.28 4.18 4.64 -0.67 0.02 113.55 123.27 2dtx h SER 148 Ca 0.12 -0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.23 2dtx h SER 148 Cb 0.06 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 2dtx h SER 148 CO -0.02 0.65 -0.64 0.11 -0.87 0.00 0.00 176.83 176.06 2dtx h LYS 149 N 0.96 0.34 -0.47 4.77 1.79 -0.94 -0.78 116.57 122.24 2dtx h LYS 149 Ca 0.25 -0.25 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 2dtx h LYS 149 Cb -0.02 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2dtx h LYS 149 CO -0.04 0.87 -0.14 0.45 -1.08 0.00 0.00 179.45 179.51 2dtx h HIS 150 N 0.25 1.04 -0.98 -1.35 3.86 -1.00 -2.99 115.15 113.99 2dtx h HIS 150 Ca -0.01 -0.23 0.03 0.00 -1.16 0.00 0.00 60.37 59.00 2dtx h HIS 150 Cb 1.18 -0.25 -0.06 0.00 1.06 0.00 0.00 27.41 29.34 2dtx h HIS 150 CO 0.03 1.02 0.64 0.00 0.86 0.00 0.00 177.93 180.48 2dtx h ALA 151 N 0.87 1.29 -0.75 2.45 0.00 -0.56 -1.56 119.26 121.01 2dtx h ALA 151 Ca 0.12 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2dtx h ALA 151 Cb 0.70 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2dtx h ALA 151 CO 0.05 0.54 0.49 0.28 0.00 0.00 0.00 179.25 180.61 2dtx h VAL 152 N 1.25 1.08 -0.56 0.00 2.07 -1.01 -0.80 116.25 118.28 2dtx h VAL 152 Ca 0.38 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 2dtx h VAL 152 Cb -0.02 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 2dtx h VAL 152 CO -0.12 0.16 0.17 0.40 0.02 0.00 0.00 177.57 178.20 2dtx h ILE 153 N 0.87 1.24 -0.71 4.57 1.08 -1.19 -0.67 117.51 122.70 2dtx h ILE 153 Ca 0.31 -0.81 -0.05 0.00 -0.39 0.00 0.00 64.86 63.91 2dtx h ILE 153 Cb 0.12 0.71 -0.03 0.00 -3.07 0.00 0.00 36.82 34.56 2dtx h ILE 153 CO -0.09 0.30 0.24 1.23 -0.69 0.00 0.00 178.15 179.14 2dtx h GLY 154 N 0.78 1.18 1.03 5.37 0.00 -1.03 -1.12 103.07 109.28 2dtx h GLY 154 Ca 0.18 -0.68 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 2dtx h GLY 154 CO -0.00 0.64 0.36 -2.00 0.00 0.00 0.00 176.54 175.54 2dtx h LEU 155 N 1.04 1.02 -0.05 3.11 5.85 -0.94 -1.68 115.31 123.68 2dtx h LEU 155 Ca 0.23 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2dtx h LEU 155 Cb 0.28 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 2dtx h LEU 155 CO -0.01 0.88 0.02 0.74 -0.34 0.00 0.00 178.44 179.73 2dtx h THR 156 N 1.10 1.09 -0.70 1.05 2.02 -0.71 -1.32 112.91 115.43 2dtx h THR 156 Ca 0.27 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 2dtx h THR 156 Cb 0.13 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 2dtx h THR 156 CO -0.03 0.07 0.39 0.11 0.37 0.00 0.00 175.52 176.43 2dtx h LYS 157 N -0.03 0.97 -0.42 6.66 1.57 -1.04 -0.97 116.57 123.32 2dtx h LYS 157 Ca 0.02 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 2dtx h LYS 157 Cb 0.09 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 2dtx h LYS 157 CO -0.00 0.72 0.12 0.77 -0.57 0.00 0.00 179.45 180.49 2dtx h SER 158 N 0.96 0.62 -0.57 0.86 0.02 -1.16 0.70 113.55 114.98 2dtx h SER 158 Ca 0.25 -0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 2dtx h SER 158 Cb 0.03 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 2dtx h SER 158 CO -0.04 0.67 0.10 0.40 -1.14 0.00 0.00 176.83 176.82 2dtx h ILE 159 N 0.54 1.25 -0.42 3.27 2.04 -1.10 0.46 117.51 123.54 2dtx h ILE 159 Ca 0.13 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 65.05 2dtx h ILE 159 Cb 0.28 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 2dtx h ILE 159 CO -0.00 0.35 0.25 0.00 0.00 0.00 0.00 178.15 178.75 2dtx h ALA 160 N 1.01 0.53 -0.29 1.87 0.00 -0.81 -1.77 119.26 119.80 2dtx h ALA 160 Ca 0.17 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 2dtx h ALA 160 Cb 0.40 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2dtx h ALA 160 CO 0.01 -0.07 -0.50 1.25 0.00 0.00 0.00 179.25 179.94 2dtx h LEU 161 N 0.51 0.88 -0.77 0.00 5.85 -0.61 -2.23 115.31 118.94 2dtx h LEU 161 Ca 0.17 -0.45 -0.06 0.00 0.84 0.00 0.00 57.88 58.38 2dtx h LEU 161 Cb -0.00 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 2dtx h LEU 161 CO -0.07 1.22 -0.29 0.44 -0.34 0.00 0.00 178.44 179.40 2dtx h ASP 162 N 0.63 0.00 -0.04 1.25 3.32 -0.74 -3.33 116.42 117.51 2dtx h ASP 162 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2dtx h ASP 162 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 2dtx h ASP 162 CO 0.11 0.29 0.00 -1.22 -1.72 0.00 0.00 179.24 176.70 2dtx n TYR 163 N -3.35 0.04 -2.24 4.55 4.02 -0.68 -5.00 117.16 114.51 2dtx n TYR 163 Ca 0.01 -0.09 -0.35 0.00 -0.01 0.00 0.00 57.90 57.45 2dtx n TYR 163 Cb 0.52 -0.01 0.01 0.00 -0.02 0.00 0.00 39.34 39.83 2dtx n TYR 163 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dtx s ALA 164 N -0.57 2.68 -1.97 -0.72 0.00 -0.84 -1.89 121.76 118.46 2dtx s ALA 164 Ca 0.08 0.84 0.26 0.00 0.00 0.00 0.00 51.96 53.14 2dtx s ALA 164 Cb 0.05 -3.37 0.66 0.00 0.00 0.00 0.00 23.12 20.46 2dtx s ALA 164 CO 0.07 -0.81 1.51 -0.35 0.00 0.00 0.00 175.76 176.18 2dtx n PRO 165 N -1.33 1.09 -0.22 0.00 -0.04 -1.26 -4.87 135.00 128.36 2dtx n PRO 165 Ca 0.12 -0.70 -0.09 0.00 -0.04 0.00 0.00 63.50 62.79 2dtx n PRO 165 Cb 0.51 -1.49 0.03 0.00 -0.04 0.00 0.00 33.50 32.51 2dtx n PRO 165 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2dtx h LEU 166 N 1.72 1.07 -8.35 1.53 7.12 -1.86 -3.44 115.31 113.10 2dtx h LEU 166 Ca 0.00 -0.29 -0.55 0.00 0.13 0.00 0.00 57.88 57.17 2dtx h LEU 166 Cb 0.56 -0.29 -0.29 0.00 -0.53 0.00 0.00 40.66 40.12 2dtx h LEU 166 CO 0.00 1.10 -0.83 -0.22 -0.13 0.00 0.00 178.44 178.35 2dtx s LEU 167 N -9.38 2.05 0.08 2.25 0.20 -0.79 -3.73 118.68 109.37 2dtx s LEU 167 Ca -0.12 -0.34 0.03 0.00 0.69 0.00 0.00 54.13 54.39 2dtx s LEU 167 Cb 0.14 -0.90 -0.04 0.00 -0.43 0.00 0.00 46.19 44.96 2dtx s LEU 167 CO 0.86 0.20 0.07 -0.13 -0.29 0.00 0.00 176.35 177.06 2dtx s ARG 168 N -0.52 2.84 -0.06 1.98 0.52 -0.94 -3.66 118.95 119.11 2dtx s ARG 168 Ca 0.07 -0.71 -0.03 0.00 -0.52 0.00 0.00 55.73 54.54 2dtx s ARG 168 Cb -0.07 -2.71 0.04 0.00 0.52 0.00 0.00 34.95 32.73 2dtx s ARG 168 CO -0.00 0.56 0.13 0.00 0.02 0.00 0.00 175.30 176.01 2dtx s ASN 170 N 1.64 0.46 0.25 0.00 0.01 -0.75 -0.25 114.94 116.30 2dtx s ASN 170 Ca -0.04 -1.30 0.10 0.00 -0.71 0.00 0.00 52.86 50.91 2dtx s ASN 170 Cb -0.12 0.29 -0.05 0.00 0.41 0.00 0.00 41.25 41.78 2dtx s ASN 170 CO -0.05 -0.76 -0.16 0.00 -1.51 0.00 0.00 177.10 174.62 2dtx s ALA 171 N -4.01 2.38 -0.07 0.60 0.00 0.22 -0.46 121.76 120.41 2dtx s ALA 171 Ca 0.32 -1.78 0.05 0.00 0.00 0.00 0.00 51.96 50.55 2dtx s ALA 171 Cb 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 2dtx s ALA 171 CO 0.08 0.15 -0.24 0.08 0.00 0.00 0.00 175.76 175.83 2dtx s VAL 172 N -2.77 2.12 -0.71 0.00 1.01 -0.36 -0.84 120.40 118.84 2dtx s VAL 172 Ca 0.26 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.22 2dtx s VAL 172 Cb -0.02 -1.78 0.18 0.00 0.00 0.00 0.00 36.38 34.75 2dtx s VAL 172 CO 0.11 0.57 0.53 0.00 0.00 0.00 0.00 175.10 176.30 2dtx s PRO 174 N -0.94 4.37 0.00 0.00 0.04 -1.26 -1.79 135.00 135.42 2dtx s PRO 174 Ca 0.23 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.53 2dtx s PRO 174 Cb -0.12 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.92 2dtx s PRO 174 CO -0.10 0.09 0.00 0.00 0.04 0.00 0.00 177.00 177.03 2dtx n ALA 175 N -0.04 0.00 -2.41 8.56 0.00 -0.82 -0.56 120.51 125.24 2dtx n ALA 175 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.06 2dtx n ALA 175 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 2dtx n ALA 175 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2dtx s THR 176 N 2.72 4.24 0.07 0.00 2.01 -1.26 -4.86 115.64 118.55 2dtx s THR 176 Ca 0.00 1.51 0.09 0.00 0.31 0.00 0.00 61.69 63.60 2dtx s THR 176 Cb 0.00 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 2dtx s THR 176 CO 0.00 -0.10 -0.25 -0.63 -0.69 0.00 0.00 174.62 172.95 2dtx s ILE 177 N 3.23 2.04 -0.71 1.82 -1.09 -1.26 -0.34 121.20 124.90 2dtx s ILE 177 Ca 0.56 -1.46 -0.26 0.00 -2.23 0.00 0.00 60.65 57.26 2dtx s ILE 177 Cb -0.23 -1.78 -0.01 0.00 -1.58 0.00 0.00 42.46 38.86 2dtx s ILE 177 CO 0.17 0.23 1.76 -0.62 -1.23 0.00 0.00 174.94 175.25 2dtx s ASP 178 N -1.48 5.46 0.14 3.58 -1.08 0.24 -4.67 116.67 118.86 2dtx s ASP 178 Ca 0.11 -0.07 -0.02 0.00 -0.52 0.00 0.00 52.55 52.06 2dtx s ASP 178 Cb -0.10 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.78 2dtx s ASP 178 CO 0.03 -2.31 0.08 0.42 0.52 0.00 0.00 175.17 173.91 2dtx s THR 179 N 8.50 0.09 0.31 1.71 -4.23 -1.26 -4.45 115.64 116.30 2dtx s THR 179 Ca 0.61 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 2dtx s THR 179 Cb -0.10 -2.08 0.20 0.00 1.34 0.00 0.00 72.50 71.86 2dtx s THR 179 CO 0.14 -0.40 1.90 -0.65 -0.54 0.00 0.00 174.62 175.08 2dtx h PRO 180 N 2.81 0.84 -0.49 3.99 0.11 -1.98 -1.84 132.00 135.44 2dtx h PRO 180 Ca -0.35 -0.12 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 2dtx h PRO 180 Cb 1.21 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 2dtx h PRO 180 CO 0.57 0.67 0.17 -0.07 -0.21 0.00 0.00 178.00 179.13 2dtx h LEU 181 N 0.83 0.65 -0.67 2.35 4.07 -1.96 0.10 115.31 120.68 2dtx h LEU 181 Ca 0.20 -0.09 -0.13 0.00 0.08 0.00 0.00 57.88 57.95 2dtx h LEU 181 Cb 0.13 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 2dtx h LEU 181 CO -0.02 0.62 -0.60 0.58 -1.08 0.00 0.00 178.44 177.93 2dtx h VAL 182 N 0.70 1.32 0.00 1.22 2.07 -1.69 -1.67 116.25 118.20 2dtx h VAL 182 Ca 0.17 -2.15 -0.15 0.00 0.82 0.00 0.00 66.70 65.38 2dtx h VAL 182 Cb 0.19 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 2dtx h VAL 182 CO -0.01 0.59 -0.72 0.03 0.02 0.00 0.00 177.57 177.48 2dtx h ARG 183 N 0.00 0.00 -0.33 1.57 3.08 -0.47 -2.37 114.38 115.87 2dtx h ARG 183 Ca -0.01 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.88 2dtx h ARG 183 Cb 1.15 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.19 2dtx h ARG 183 CO 0.08 0.72 -0.45 -0.22 -1.07 0.00 0.00 179.97 179.04 2dtx h LYS 184 N 0.00 0.85 -0.88 0.04 3.64 -0.59 -1.93 116.57 117.69 2dtx h LYS 184 Ca -0.01 -0.48 -0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2dtx h LYS 184 Cb 1.35 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.16 2dtx h LYS 184 CO 0.09 1.12 0.54 0.00 -2.27 0.00 0.00 179.45 178.93 2dtx h ALA 185 N 0.81 1.12 -0.42 5.00 0.00 -1.14 -1.20 119.26 123.43 2dtx h ALA 185 Ca 0.04 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2dtx h ALA 185 Cb 1.03 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2dtx h ALA 185 CO 0.10 0.57 -0.07 0.00 0.00 0.00 0.00 179.25 179.85 2dtx h ALA 186 N 1.29 0.57 -0.95 0.00 0.00 -1.27 -3.05 119.26 115.85 2dtx h ALA 186 Ca 0.32 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2dtx h ALA 186 Cb -0.06 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 2dtx h ALA 186 CO -0.06 0.43 0.57 1.49 0.00 0.00 0.00 179.25 181.68 2dtx h GLU 187 N 0.61 1.29 0.00 0.00 4.81 -0.95 1.00 114.58 121.33 2dtx h GLU 187 Ca 0.11 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2dtx h GLU 187 Cb 0.59 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2dtx h GLU 187 CO 0.04 0.90 0.00 1.28 -0.73 0.00 0.00 179.01 180.49 2dtx n LEU 188 N -4.35 0.12 -0.08 1.64 4.77 -0.49 -0.43 117.00 118.18 2dtx n LEU 188 Ca 0.11 0.54 -0.14 0.00 -0.03 0.00 0.00 56.01 56.49 2dtx n LEU 188 Cb 0.06 -0.54 -0.07 0.00 -2.33 0.00 0.00 43.42 40.54 2dtx n LEU 188 CO 0.38 -0.46 -1.04 -0.62 -1.33 0.00 0.00 177.39 174.32 2dtx n GLU 189 N -1.65 0.38 -0.10 3.23 1.02 -0.39 -4.79 120.64 118.35 2dtx n GLU 189 Ca 0.01 0.12 0.03 0.00 -0.02 0.00 0.00 57.16 57.30 2dtx n GLU 189 Cb 0.09 -1.23 0.09 0.00 -0.02 0.00 0.00 31.44 30.36 2dtx n GLU 189 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2dtx n VAL 190 N -3.26 1.04 -0.93 2.62 0.24 0.21 -5.11 118.33 113.13 2dtx n VAL 190 Ca -0.30 -1.03 0.00 0.00 -2.04 0.00 0.00 64.34 60.97 2dtx n VAL 190 Cb 0.77 0.48 0.00 0.00 -1.47 0.00 0.00 33.84 33.62 2dtx n VAL 190 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dtx n GLY 191 N 0.02 -2.65 0.39 7.63 0.00 0.43 -4.52 105.19 106.49 2dtx n GLY 191 Ca 0.07 -1.80 0.14 0.00 0.00 0.00 0.00 46.02 44.43 2dtx n GLY 191 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dtx n SER 192 N -0.01 1.23 -4.60 1.61 3.41 -1.26 -4.20 113.62 109.79 2dtx n SER 192 Ca 0.00 -1.39 -0.43 0.00 -0.26 0.00 0.00 58.87 56.79 2dtx n SER 192 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2dtx n SER 192 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2dtx s ASP 193 N -2.02 5.69 0.51 4.04 -1.08 -1.26 -4.85 116.67 117.69 2dtx s ASP 193 Ca 0.39 1.73 0.23 0.00 -0.52 0.00 0.00 52.55 54.39 2dtx s ASP 193 Cb 0.21 -2.52 1.32 0.00 -1.46 0.00 0.00 42.92 40.48 2dtx s ASP 193 CO 0.35 -1.80 1.99 1.55 0.52 0.00 0.00 175.17 177.78 2dtx h PRO 194 N 13.94 0.08 -0.12 4.34 0.13 -1.97 -1.33 132.00 147.07 2dtx h PRO 194 Ca -0.39 -0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.52 2dtx h PRO 194 Cb 1.21 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.34 2dtx h PRO 194 CO 0.98 0.05 -0.76 0.52 -0.23 0.00 0.00 178.00 178.56 2dtx h MET 195 N 0.08 0.72 -0.22 0.86 2.86 -1.99 -2.34 114.93 114.90 2dtx h MET 195 Ca 0.26 -0.62 -0.10 0.00 -2.06 0.00 0.00 59.70 57.18 2dtx h MET 195 Cb 0.91 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 2dtx h MET 195 CO -0.02 1.23 -0.27 0.00 1.06 0.00 0.00 176.91 178.90 2dtx h ARG 196 N 0.42 0.43 -0.54 1.72 3.08 -1.78 -1.96 114.38 115.76 2dtx h ARG 196 Ca -0.06 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 59.78 2dtx h ARG 196 Cb 1.40 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.40 2dtx h ARG 196 CO 0.16 0.67 0.15 0.82 -1.07 0.00 0.00 179.97 180.69 2dtx h ILE 197 N 0.38 1.22 -0.42 2.04 2.04 -1.20 -1.06 117.51 120.51 2dtx h ILE 197 Ca 0.05 -0.78 -0.11 0.00 1.00 0.00 0.00 64.86 65.02 2dtx h ILE 197 Cb 0.68 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 2dtx h ILE 197 CO 0.05 0.29 -0.18 -0.08 0.00 0.00 0.00 178.15 178.23 2dtx h GLU 198 N 0.80 0.81 -0.61 2.37 4.57 -0.84 -0.80 114.58 120.88 2dtx h GLU 198 Ca 0.18 -0.31 -0.09 0.00 -1.18 0.00 0.00 59.36 57.96 2dtx h GLU 198 Cb 0.27 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 2dtx h GLU 198 CO -0.00 0.94 0.04 -0.22 -1.18 0.00 0.00 179.01 178.58 2dtx h LYS 199 N 0.72 1.05 -0.27 1.92 3.64 -0.71 -0.43 116.57 122.49 2dtx h LYS 199 Ca 0.11 -0.31 -0.02 0.00 -1.27 0.00 0.00 60.65 59.15 2dtx h LYS 199 Cb 0.70 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 2dtx h LYS 199 CO 0.05 1.01 0.09 -0.22 -2.27 0.00 0.00 179.45 178.11 2dtx h LYS 200 N 0.96 0.42 -0.69 1.90 1.63 -0.95 -0.90 116.57 118.92 2dtx h LYS 200 Ca 0.18 -0.09 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 2dtx h LYS 200 Cb 0.51 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.04 2dtx h LYS 200 CO 0.02 0.48 0.38 0.82 -3.45 0.00 0.00 179.45 177.69 2dtx h ILE 201 N 0.27 1.21 -0.41 2.00 1.08 -0.99 -1.58 117.51 119.09 2dtx h ILE 201 Ca 0.09 -0.53 -0.09 0.00 -0.39 0.00 0.00 64.86 63.94 2dtx h ILE 201 Cb 0.23 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.24 2dtx h ILE 201 CO -0.00 0.23 -0.13 -1.28 -0.69 0.00 0.00 178.15 176.28 2dtx h SER 202 N 0.97 0.73 -0.46 1.72 0.87 -0.71 0.12 113.55 116.79 2dtx h SER 202 Ca 0.25 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2dtx h SER 202 Cb 0.03 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 2dtx h SER 202 CO -0.04 0.88 0.25 -0.08 -0.53 0.00 0.00 176.83 177.31 2dtx h GLU 203 N 0.67 0.64 -0.58 2.24 4.81 -0.26 -0.16 114.58 121.92 2dtx h GLU 203 Ca 0.11 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 2dtx h GLU 203 Cb 0.60 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 2dtx h GLU 203 CO 0.04 0.50 0.17 -1.49 -0.73 0.00 0.00 179.01 177.50 2dtx h TRP 204 N 0.60 0.96 -0.88 0.92 6.55 -1.00 -2.66 115.95 120.43 2dtx h TRP 204 Ca 0.16 -0.10 0.02 0.00 0.95 0.00 0.00 58.89 59.92 2dtx h TRP 204 Cb 0.05 -0.27 -0.05 0.00 -0.86 0.00 0.00 29.16 28.03 2dtx h TRP 204 CO -0.02 0.81 0.58 0.78 -1.05 0.00 0.00 178.44 179.53 2dtx h GLY 205 N 0.83 1.27 2.00 1.49 0.00 -0.50 -1.04 103.07 107.12 2dtx h GLY 205 Ca 0.19 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2dtx h GLY 205 CO -0.00 0.41 0.00 1.42 0.00 0.00 0.00 176.54 178.36 2dtx n HIS 206 N -4.50 0.57 0.24 5.60 8.25 -0.11 -1.60 115.22 123.67 2dtx n HIS 206 Ca 0.10 0.23 0.12 0.00 -0.26 0.00 0.00 57.72 57.92 2dtx n HIS 206 Cb 0.06 -0.87 0.16 0.00 1.12 0.00 0.00 29.99 30.46 2dtx n HIS 206 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2dtx h GLU 207 N 0.00 0.00 -6.38 -0.41 4.39 -0.91 -3.45 114.58 107.82 2dtx h GLU 207 Ca 0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 2dtx h GLU 207 Cb 0.29 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 2dtx h GLU 207 CO 0.00 0.00 0.07 -1.01 -1.16 0.00 0.00 179.01 176.91 2dtx s HIS 208 N -3.22 3.85 0.46 4.33 3.76 -0.62 -4.88 115.29 118.96 2dtx s HIS 208 Ca 0.06 1.45 0.17 0.00 -0.15 0.00 0.00 55.06 56.60 2dtx s HIS 208 Cb 0.06 -2.63 1.14 0.00 1.11 0.00 0.00 32.58 32.26 2dtx s HIS 208 CO 0.68 0.55 1.97 -1.35 -0.85 0.00 0.00 174.74 175.74 2dtx h PRO 209 N 4.39 0.29 0.00 8.40 0.11 -1.75 0.15 132.00 143.58 2dtx h PRO 209 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2dtx h PRO 209 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2dtx h PRO 209 CO 0.65 0.19 0.00 -1.33 -0.21 0.00 0.00 178.00 177.30 2dtx n MET 210 N -4.45 0.37 -1.69 1.05 2.81 -0.76 -4.87 117.12 109.58 2dtx n MET 210 Ca 0.11 0.07 -0.18 0.00 -1.81 0.00 0.00 57.70 55.88 2dtx n MET 210 Cb 0.47 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.42 2dtx n MET 210 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2dtx n GLN 211 N -1.13 -1.29 -3.59 0.03 1.13 0.51 -4.95 117.38 108.09 2dtx n GLN 211 Ca 0.10 1.08 -0.09 0.00 -1.94 0.00 0.00 57.00 56.15 2dtx n GLN 211 Cb 0.09 -5.39 -0.02 0.00 0.11 0.00 0.00 30.24 25.02 2dtx n GLN 211 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 2dtx s ARG 212 N -3.81 1.32 0.58 -1.09 1.70 -0.77 -4.34 118.95 112.54 2dtx s ARG 212 Ca 0.00 -0.60 -0.06 0.00 -0.47 0.00 0.00 55.73 54.60 2dtx s ARG 212 Cb 0.00 0.54 -0.00 0.00 -0.57 0.00 0.00 34.95 34.92 2dtx s ARG 212 CO 0.00 -0.59 0.90 0.96 -1.08 0.00 0.00 175.30 175.49 2dtx s ILE 213 N -3.63 3.89 0.76 4.99 -4.36 -1.26 -4.72 121.20 116.87 2dtx s ILE 213 Ca 0.06 0.10 -0.12 0.00 -0.26 0.00 0.00 60.65 60.43 2dtx s ILE 213 Cb -0.02 -3.54 0.05 0.00 1.25 0.00 0.00 42.46 40.20 2dtx s ILE 213 CO -0.05 -0.57 1.14 -0.83 0.24 0.00 0.00 174.94 174.87 2dtx s GLY 214 N -4.27 1.61 0.01 6.27 0.00 0.54 -4.84 107.32 106.63 2dtx s GLY 214 Ca 0.53 -0.48 0.02 0.00 0.00 0.00 0.00 44.72 44.79 2dtx s GLY 214 CO 0.46 -0.05 -0.01 0.54 0.00 0.00 0.00 173.10 174.03 2dtx s LYS 215 N -5.46 2.73 0.34 2.90 1.02 -1.26 -0.59 119.74 119.43 2dtx s LYS 215 Ca 0.60 -0.65 0.11 0.00 0.02 0.00 0.00 55.97 56.05 2dtx s LYS 215 Cb -0.11 -2.63 0.88 0.00 -0.52 0.00 0.00 37.83 35.45 2dtx s LYS 215 CO 0.51 0.61 1.79 -1.35 -0.92 0.00 0.00 175.35 175.99 2dtx h PRO 216 N 4.29 0.60 0.00 -1.68 0.11 -1.94 0.89 132.00 134.26 2dtx h PRO 216 Ca -0.49 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 2dtx h PRO 216 Cb 1.17 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 2dtx h PRO 216 CO 0.57 0.40 -0.13 1.96 -0.21 0.00 0.00 178.00 180.59 2dtx h GLN 217 N 0.62 0.00 -0.09 1.05 7.50 -1.94 -1.49 115.11 120.76 2dtx h GLN 217 Ca 0.56 0.00 -0.16 0.00 0.50 0.00 0.00 58.65 59.56 2dtx h GLN 217 Cb 1.08 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.60 2dtx h GLN 217 CO -0.33 0.13 -0.63 0.93 -1.50 0.00 0.00 178.83 177.43 2dtx h GLU 218 N 0.00 0.34 -0.30 1.46 5.08 -1.22 -1.02 114.58 118.92 2dtx h GLU 218 Ca -0.00 -0.24 -0.17 0.00 -1.00 0.00 0.00 59.36 57.94 2dtx h GLU 218 Cb 0.29 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2dtx h GLU 218 CO 0.02 0.86 -0.49 0.28 -1.00 0.00 0.00 179.01 178.68 2dtx h VAL 219 N 0.25 1.28 -0.55 3.13 2.07 -1.30 -3.08 116.25 118.05 2dtx h VAL 219 Ca -0.01 -1.67 -0.00 0.00 0.82 0.00 0.00 66.70 65.84 2dtx h VAL 219 Cb 1.16 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.49 2dtx h VAL 219 CO 0.10 0.55 0.33 0.00 0.02 0.00 0.00 177.57 178.57 2dtx h ALA 220 N 0.69 1.54 -0.66 1.67 0.00 -0.97 -1.71 119.26 119.82 2dtx h ALA 220 Ca 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2dtx h ALA 220 Cb 1.09 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2dtx h ALA 220 CO 0.11 0.40 0.37 0.77 0.00 0.00 0.00 179.25 180.90 2dtx h SER 221 N 0.76 0.81 -0.58 0.00 0.02 -1.11 -0.55 113.55 112.90 2dtx h SER 221 Ca 0.20 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 2dtx h SER 221 Cb -0.02 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 2dtx h SER 221 CO -0.04 0.66 0.09 0.00 -1.14 0.00 0.00 176.83 176.41 2dtx h ALA 222 N 1.18 0.76 -0.33 3.77 0.00 -1.27 -1.65 119.26 121.72 2dtx h ALA 222 Ca 0.23 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2dtx h ALA 222 Cb 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2dtx h ALA 222 CO -0.04 0.52 0.13 0.28 0.00 0.00 0.00 179.25 180.14 2dtx h VAL 223 N 0.85 1.19 -0.74 0.00 2.07 -1.02 -1.88 116.25 116.72 2dtx h VAL 223 Ca 0.17 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 2dtx h VAL 223 Cb 0.42 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 2dtx h VAL 223 CO 0.01 0.20 0.42 0.00 0.02 0.00 0.00 177.57 178.23 2dtx h ALA 224 N 0.97 0.94 0.07 1.67 0.00 -1.01 -0.78 119.26 121.13 2dtx h ALA 224 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2dtx h ALA 224 Cb 0.20 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2dtx h ALA 224 CO -0.01 0.44 -0.08 0.35 0.00 0.00 0.00 179.25 179.95 2dtx h PHE 225 N 1.01 -0.20 0.00 0.00 3.04 -1.11 -1.92 116.94 117.76 2dtx h PHE 225 Ca 0.26 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.17 2dtx h PHE 225 Cb 0.00 0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.59 2dtx h PHE 225 CO -0.01 -0.12 -0.19 -0.07 -2.02 0.00 0.00 178.31 175.90 2dtx h LEU 226 N -0.17 0.00 -0.26 0.59 3.38 -1.10 -2.12 115.31 115.62 2dtx h LEU 226 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2dtx h LEU 226 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2dtx h LEU 226 CO -0.03 0.19 -0.10 0.00 0.09 0.00 0.00 178.44 178.59 2dtx h ALA 227 N 1.81 0.95 -2.32 1.53 0.00 -0.86 -3.45 119.26 116.92 2dtx h ALA 227 Ca -0.00 -0.09 -0.47 0.00 0.00 0.00 0.00 54.91 54.35 2dtx h ALA 227 Cb 0.35 -0.02 0.07 0.00 0.00 0.00 0.00 17.79 18.19 2dtx h ALA 227 CO 0.02 0.12 0.23 -1.54 0.00 0.00 0.00 179.25 178.09 2dtx s SER 228 N -6.18 5.21 0.25 0.00 1.04 -0.75 -4.77 113.70 108.50 2dtx s SER 228 Ca 0.05 0.65 0.22 0.00 0.48 0.00 0.00 55.95 57.36 2dtx s SER 228 Cb 0.06 -1.46 0.98 0.00 0.10 0.00 0.00 66.02 65.70 2dtx s SER 228 CO 0.66 -1.35 1.67 0.54 0.98 0.00 0.00 173.24 175.75 2dtx n ARG 229 N -2.80 0.17 0.28 4.02 5.12 -1.26 -1.71 116.66 120.48 2dtx n ARG 229 Ca 0.06 0.46 0.18 0.00 -1.93 0.00 0.00 57.85 56.63 2dtx n ARG 229 Cb 0.59 -1.86 0.85 0.00 -1.16 0.00 0.00 32.46 30.88 2dtx n ARG 229 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2dtx h GLU 230 N 0.00 0.00 -0.50 5.56 4.39 -1.93 -1.79 114.58 120.31 2dtx h GLU 230 Ca 0.00 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 2dtx h GLU 230 Cb 0.28 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 28.77 2dtx h GLU 230 CO 0.00 0.00 0.06 0.00 -1.16 0.00 0.00 179.01 177.91 2dtx n ALA 231 N -2.03 4.64 0.20 3.43 0.00 -0.69 -4.80 120.51 121.25 2dtx n ALA 231 Ca -0.01 -3.13 0.18 0.00 0.00 0.00 0.00 53.44 50.49 2dtx n ALA 231 Cb 0.20 -0.89 0.83 0.00 0.00 0.00 0.00 19.45 19.58 2dtx n ALA 231 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2dtx h SER 232 N 1.03 0.00 -0.22 0.00 4.64 -1.46 -0.62 113.55 116.92 2dtx h SER 232 Ca 0.32 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.61 2dtx h SER 232 Cb 1.89 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.96 2dtx h SER 232 CO 0.56 0.00 -0.02 0.33 -0.87 0.00 0.00 176.83 176.83 2dtx n PHE 233 N -3.63 0.78 -3.92 4.77 -0.00 -1.26 -4.93 117.46 109.27 2dtx n PHE 233 Ca 0.02 -1.02 -0.35 0.00 -0.00 0.00 0.00 57.45 56.10 2dtx n PHE 233 Cb 0.39 -0.31 -0.14 0.00 -0.00 0.00 0.00 39.48 39.42 2dtx n PHE 233 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 2dtx s ILE 234 N -2.91 3.14 -0.07 -2.13 1.01 -0.24 -5.08 121.20 114.92 2dtx s ILE 234 Ca 0.41 -0.88 -0.18 0.00 0.00 0.00 0.00 60.65 60.00 2dtx s ILE 234 Cb 0.34 -2.57 0.04 0.00 0.01 0.00 0.00 42.46 40.28 2dtx s ILE 234 CO 0.06 0.22 0.42 0.28 0.00 0.00 0.00 174.94 175.92 2dtx s THR 235 N 1.38 0.03 0.00 2.92 -1.32 -1.26 -4.74 115.64 112.64 2dtx s THR 235 Ca 0.02 -0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 2dtx s THR 235 Cb -0.16 -0.69 0.00 0.00 -1.51 0.00 0.00 72.50 70.14 2dtx s THR 235 CO -0.03 -0.13 0.00 0.61 -2.21 0.00 0.00 174.62 172.85 2dtx n GLY 236 N 1.67 0.48 3.85 6.08 0.00 0.66 -4.98 105.19 112.95 2dtx n GLY 236 Ca -0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 2dtx n GLY 236 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dtx s THR 237 N -2.01 2.61 -0.14 2.61 -1.32 -1.26 -4.59 115.64 111.54 2dtx s THR 237 Ca 0.00 -1.42 0.02 0.00 -1.21 0.00 0.00 61.69 59.08 2dtx s THR 237 Cb 0.00 -3.00 0.01 0.00 -1.51 0.00 0.00 72.50 67.99 2dtx s THR 237 CO 0.00 -0.01 -0.20 0.00 -2.21 0.00 0.00 174.62 172.20 2dtx s LEU 239 N 0.77 4.26 -0.16 0.00 2.96 -0.02 -4.86 118.68 121.62 2dtx s LEU 239 Ca -0.08 0.15 -0.29 0.00 -0.22 0.00 0.00 54.13 53.69 2dtx s LEU 239 Cb -0.16 -2.77 -0.00 0.00 0.50 0.00 0.00 46.19 43.76 2dtx s LEU 239 CO -0.00 -0.58 1.02 -0.31 -1.32 0.00 0.00 176.35 175.16 2dtx s TYR 240 N 2.67 3.43 -0.73 5.38 2.02 -1.26 -0.75 117.35 128.11 2dtx s TYR 240 Ca 0.24 1.53 0.04 0.00 -0.37 0.00 0.00 57.07 58.51 2dtx s TYR 240 Cb -0.15 -3.22 0.20 0.00 -0.40 0.00 0.00 41.96 38.40 2dtx s TYR 240 CO 0.14 -0.34 0.64 0.28 -1.57 0.00 0.00 175.55 174.70 2dtx n VAL 241 N 4.90 2.17 -0.61 0.71 0.31 -0.74 -4.86 118.33 120.22 2dtx n VAL 241 Ca 0.10 -5.04 0.01 0.00 -0.01 0.00 0.00 64.34 59.40 2dtx n VAL 241 Cb 0.47 -2.19 0.02 0.00 -0.91 0.00 0.00 33.84 31.23 2dtx n VAL 241 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2dtx n ASP 242 N 1.68 1.31 -1.63 4.52 3.85 -1.26 -1.93 116.55 123.08 2dtx n ASP 242 Ca 0.23 -1.87 -0.18 0.00 -0.71 0.00 0.00 54.79 52.26 2dtx n ASP 242 Cb 0.37 -0.08 -0.07 0.00 -1.35 0.00 0.00 41.12 39.99 2dtx n ASP 242 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2dtx n GLY 243 N -0.45 1.39 1.37 6.12 0.00 -1.26 -1.08 105.19 111.27 2dtx n GLY 243 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2dtx n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dtx n GLY 244 N -0.41 0.75 0.28 -0.02 0.00 -1.26 -1.82 105.19 102.71 2dtx n GLY 244 Ca -0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.86 2dtx n GLY 244 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2dtx h LEU 245 N 0.00 0.54 0.00 0.99 5.85 -1.44 -2.34 115.31 118.91 2dtx h LEU 245 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2dtx h LEU 245 Cb 0.00 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2dtx h LEU 245 CO 0.00 0.31 0.00 -1.54 -0.34 0.00 0.00 178.44 176.87 2dtx n SER 246 N -4.82 0.00 -0.69 1.25 3.41 -1.26 -2.52 113.62 108.99 2dtx n SER 246 Ca 0.12 0.35 0.07 0.00 -0.26 0.00 0.00 58.87 59.15 2dtx n SER 246 Cb 0.27 -0.43 0.13 0.00 -0.26 0.00 0.00 64.21 63.92 2dtx n SER 246 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2dtx n ILE 247 N -1.43 0.53 -3.55 -1.33 -6.64 -0.89 -4.97 119.36 101.09 2dtx n ILE 247 Ca 0.06 -0.77 -0.38 0.00 -1.77 0.00 0.00 62.75 59.89 2dtx n ILE 247 Cb 0.19 0.87 -0.10 0.00 -1.44 0.00 0.00 39.64 39.16 2dtx n ILE 247 CO 0.00 0.00 0.00 -0.60 -1.77 0.00 0.00 176.55 174.18 2dtx s ARG 248 N -1.08 4.01 0.00 6.28 3.52 -1.05 -5.07 118.95 125.57 2dtx s ARG 248 Ca 0.23 -0.19 -0.22 0.00 -0.13 0.00 0.00 55.73 55.43 2dtx s ARG 248 Cb 0.14 -3.62 -0.05 0.00 -1.56 0.00 0.00 34.95 29.85 2dtx s ARG 248 CO 0.19 -0.13 0.65 0.00 -0.81 0.00 0.00 175.30 175.20 2dtx s ALA 249 N 1.62 3.44 0.00 6.12 0.00 -1.26 -4.95 121.76 126.73 2dtx s ALA 249 Ca 0.10 0.11 -0.01 0.00 0.00 0.00 0.00 51.96 52.16 2dtx s ALA 249 Cb -0.15 -2.83 -0.06 0.00 0.00 0.00 0.00 23.12 20.07 2dtx s ALA 249 CO 0.09 0.11 2.35 -0.35 0.00 0.00 0.00 175.76 177.96 2dtx n PRO 250 N 2.84 1.22 -3.99 0.00 -0.04 -1.26 -4.79 135.00 128.98 2dtx n PRO 250 Ca -0.05 -0.23 -0.34 0.00 -0.04 0.00 0.00 63.50 62.84 2dtx n PRO 250 Cb 0.51 -1.24 -0.15 0.00 -0.04 0.00 0.00 33.50 32.58 2dtx n PRO 250 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2dtx s ILE 251 N 0.26 2.80 0.73 0.52 -1.09 -1.26 -5.11 121.20 118.05 2dtx s ILE 251 Ca 0.15 -0.79 -0.14 0.00 -2.23 0.00 0.00 60.65 57.65 2dtx s ILE 251 Cb 0.07 -2.29 0.04 0.00 -1.58 0.00 0.00 42.46 38.70 2dtx s ILE 251 CO 0.00 0.40 1.14 -0.94 -1.23 0.00 0.00 174.94 174.31 2dtx s SER 252 N 1.37 4.48 0.12 3.58 1.04 -1.26 -5.07 113.70 117.96 2dtx s SER 252 Ca 0.04 2.09 -0.01 0.00 0.48 0.00 0.00 55.95 58.55 2dtx s SER 252 Cb -0.14 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.38 2dtx s SER 252 CO -0.07 -2.06 0.03 0.42 0.98 0.00 0.00 173.24 172.54 2dtx s THR 253 N -2.38 0.21 0.36 2.02 -4.23 -1.26 -5.14 115.64 105.22 2dtx s THR 253 Ca 0.68 -1.90 -0.28 0.00 -1.18 0.00 0.00 61.69 59.01 2dtx s THR 253 Cb -0.22 -1.92 -0.11 0.00 1.34 0.00 0.00 72.50 71.59 2dtx s THR 253 CO 0.47 -0.60 1.47 -2.84 -0.54 0.00 0.00 174.62 172.58 2dtx s PRO 254 N -4.00 4.14 0.00 3.99 0.02 -1.26 -5.33 135.00 132.56 2dtx s PRO 254 Ca 0.20 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.74 2dtx s PRO 254 Cb 0.07 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.61 2dtx s PRO 254 CO -0.01 -0.50 0.38 -1.91 -0.33 0.00 0.00 177.00 174.64