#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ddv s SER 8 N 0.00 -0.12 -0.01 -3.46 1.04 -1.26 -1.86 113.70 108.04 3ddv s SER 8 Ca 0.00 -0.46 0.03 0.00 0.48 0.00 0.00 55.95 56.00 3ddv s SER 8 Cb 0.00 0.44 -0.00 0.00 0.10 0.00 0.00 66.02 66.56 3ddv s SER 8 CO 0.00 -0.83 -0.09 -0.60 0.98 0.00 0.00 173.24 172.69 3ddv s ARG 9 N -3.84 0.83 -0.54 4.02 3.52 -0.32 -4.97 118.95 117.64 3ddv s ARG 9 Ca 0.05 -0.33 -0.18 0.00 -0.13 0.00 0.00 55.73 55.14 3ddv s ARG 9 Cb 0.03 -0.79 0.09 0.00 -1.56 0.00 0.00 34.95 32.71 3ddv s ARG 9 CO -0.10 0.18 0.61 0.99 -0.81 0.00 0.00 175.30 176.17 3ddv s THR 10 N -0.10 4.94 0.30 4.11 2.01 -1.26 -0.27 115.64 125.37 3ddv s THR 10 Ca 0.02 -0.93 -0.02 0.00 0.31 0.00 0.00 61.69 61.07 3ddv s THR 10 Cb -0.05 -4.37 0.25 0.00 0.01 0.00 0.00 72.50 68.34 3ddv s THR 10 CO -0.00 -0.93 1.96 0.58 -0.69 0.00 0.00 174.62 175.54 3ddv h VAL 11 N 5.88 1.21 -2.65 3.82 2.07 -1.42 -3.47 116.25 121.68 3ddv h VAL 11 Ca -0.29 -0.43 0.07 0.00 0.82 0.00 0.00 66.70 66.87 3ddv h VAL 11 Cb 1.09 0.10 -0.11 0.00 -1.52 0.00 0.00 31.29 30.85 3ddv h VAL 11 CO 1.03 0.21 0.35 -0.94 0.02 0.00 0.00 177.57 178.24 3ddv s SER 12 N -6.35 -0.39 -0.34 0.57 1.04 -1.00 -4.97 113.70 102.26 3ddv s SER 12 Ca -0.11 -0.16 -0.04 0.00 0.48 0.00 0.00 55.95 56.12 3ddv s SER 12 Cb 0.18 0.53 0.19 0.00 0.10 0.00 0.00 66.02 67.01 3ddv s SER 12 CO 0.79 -0.90 0.92 -0.47 0.98 0.00 0.00 173.24 174.56 3ddv s TYR 13 N -3.49 -0.82 0.32 5.02 5.04 -1.25 -0.64 117.35 121.53 3ddv s TYR 13 Ca 0.06 0.21 0.03 0.00 -2.44 0.00 0.00 57.07 54.92 3ddv s TYR 13 Cb -0.02 0.15 -0.04 0.00 0.35 0.00 0.00 41.96 42.40 3ddv s TYR 13 CO -0.06 -0.54 0.15 -0.59 -1.34 0.00 0.00 175.55 173.17 3ddv s PHE 14 N 2.15 1.65 0.01 4.97 -0.71 -0.58 -4.98 117.98 120.49 3ddv s PHE 14 Ca 0.17 -1.33 0.02 0.00 -1.04 0.00 0.00 56.93 54.74 3ddv s PHE 14 Cb -0.00 -0.92 -0.04 0.00 -1.21 0.00 0.00 43.02 40.85 3ddv s PHE 14 CO -0.15 -0.46 0.02 0.08 -1.34 0.00 0.00 175.22 173.37 3ddv s VAL 15 N -3.54 4.26 0.04 -2.49 1.01 -1.26 -0.29 120.40 118.13 3ddv s VAL 15 Ca 0.34 -0.61 -0.27 0.00 0.00 0.00 0.00 61.98 61.44 3ddv s VAL 15 Cb 0.05 -2.93 0.09 0.00 0.00 0.00 0.00 36.38 33.60 3ddv s VAL 15 CO 0.17 0.34 0.86 0.00 0.00 0.00 0.00 175.10 176.47 3ddv s ALA 16 N -1.14 -1.76 0.31 5.51 0.00 -0.30 -4.95 121.76 119.43 3ddv s ALA 16 Ca 0.21 0.80 -0.27 0.00 0.00 0.00 0.00 51.96 52.70 3ddv s ALA 16 Cb -0.12 0.52 -0.10 0.00 0.00 0.00 0.00 23.12 23.42 3ddv s ALA 16 CO 0.12 -0.76 0.95 0.15 0.00 0.00 0.00 175.76 176.23 3ddv s LYS 17 N -3.24 4.62 0.64 0.00 -0.14 -1.26 -0.06 119.74 120.31 3ddv s LYS 17 Ca 0.06 1.38 -0.16 0.00 -1.36 0.00 0.00 55.97 55.88 3ddv s LYS 17 Cb -0.01 -2.90 -0.01 0.00 -1.68 0.00 0.00 37.83 33.24 3ddv s LYS 17 CO -0.08 0.31 1.14 -1.25 -0.76 0.00 0.00 175.35 174.72 3ddv s PRO 18 N -1.88 2.79 1.02 -1.68 0.04 -1.26 -4.87 135.00 129.16 3ddv s PRO 18 Ca 0.48 1.55 -0.17 0.00 0.04 0.00 0.00 61.00 62.90 3ddv s PRO 18 Cb -0.21 -1.94 0.22 0.00 0.04 0.00 0.00 34.50 32.62 3ddv s PRO 18 CO 0.26 -1.29 1.27 -1.54 0.04 0.00 0.00 177.00 175.74 3ddv s SER 19 N -2.22 2.57 0.23 6.66 1.04 -1.26 -4.81 113.70 115.90 3ddv s SER 19 Ca 0.70 0.36 -0.04 0.00 0.48 0.00 0.00 55.95 57.46 3ddv s SER 19 Cb -0.24 -0.46 0.22 0.00 0.10 0.00 0.00 66.02 65.64 3ddv s SER 19 CO 0.39 -3.08 1.67 0.77 0.98 0.00 0.00 173.24 173.96 3ddv h SER 20 N -1.88 0.79 -0.42 7.02 4.64 -1.99 0.17 113.55 121.89 3ddv h SER 20 Ca -0.45 -0.25 0.05 0.00 -0.47 0.00 0.00 61.79 60.67 3ddv h SER 20 Cb 1.25 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 63.08 3ddv h SER 20 CO 0.37 0.95 0.15 0.28 -0.87 0.00 0.00 176.83 177.71 3ddv h SER 21 N 0.71 0.17 -0.62 4.97 0.02 -1.98 0.86 113.55 117.68 3ddv h SER 21 Ca 0.11 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 3ddv h SER 21 Cb 0.64 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 3ddv h SER 21 CO 0.04 0.13 0.26 -0.33 -1.14 0.00 0.00 176.83 175.80 3ddv h GLU 22 N 0.32 0.92 -0.11 3.45 5.08 -1.84 0.27 114.58 122.66 3ddv h GLU 22 Ca 0.19 -0.16 0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3ddv h GLU 22 Cb 0.17 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 3ddv h GLU 22 CO -0.19 0.77 -0.14 0.52 -1.00 0.00 0.00 179.01 178.96 3ddv h MET 23 N 0.86 -0.18 0.26 2.33 2.86 -0.33 -1.16 114.93 119.57 3ddv h MET 23 Ca 0.21 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 3ddv h MET 23 Cb 0.18 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.88 3ddv h MET 23 CO -0.02 -0.12 -0.13 0.93 1.06 0.00 0.00 176.91 178.63 3ddv h GLU 24 N -0.19 -0.34 0.00 1.72 5.08 -0.59 0.21 114.58 120.47 3ddv h GLU 24 Ca 0.09 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3ddv h GLU 24 Cb 0.31 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3ddv h GLU 24 CO -0.22 -0.22 -0.17 0.87 -1.00 0.00 0.00 179.01 178.27 3ddv h LYS 25 N -0.37 0.00 -0.12 2.33 1.79 -0.86 -3.14 116.57 116.20 3ddv h LYS 25 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 3ddv h LYS 25 Cb 0.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 3ddv h LYS 25 CO 0.06 0.17 0.00 1.28 -1.08 0.00 0.00 179.45 179.88 3ddv n LEU 26 N -3.18 3.02 -3.56 2.94 4.77 -0.45 -4.82 117.00 115.72 3ddv n LEU 26 Ca 0.02 -1.14 -0.26 0.00 -0.03 0.00 0.00 56.01 54.60 3ddv n LEU 26 Cb 0.53 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 41.60 3ddv n LEU 26 CO 0.35 0.55 -0.03 0.00 -1.33 0.00 0.00 177.39 176.93 3ddv n GLN 27 N 1.31 -1.45 -4.30 3.23 6.02 0.58 -4.63 117.38 118.15 3ddv n GLN 27 Ca 0.15 0.61 -0.21 0.00 -0.01 0.00 0.00 57.00 57.54 3ddv n GLN 27 Cb 0.57 -4.51 -0.13 0.00 1.02 0.00 0.00 30.24 27.19 3ddv n GLN 27 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3ddv s LEU 28 N -6.05 2.25 0.65 1.08 1.43 -0.36 -5.03 118.68 112.65 3ddv s LEU 28 Ca 0.43 -0.59 -0.06 0.00 -1.03 0.00 0.00 54.13 52.89 3ddv s LEU 28 Cb -0.13 -0.70 0.04 0.00 0.03 0.00 0.00 46.19 45.43 3ddv s LEU 28 CO 0.83 0.02 0.96 -0.83 0.23 0.00 0.00 176.35 177.55 3ddv s GLY 29 N -1.59 1.67 0.49 -3.19 0.00 -1.26 -4.62 107.32 98.83 3ddv s GLY 29 Ca 0.02 -0.89 0.24 0.00 0.00 0.00 0.00 44.72 44.09 3ddv s GLY 29 CO 0.03 -0.53 2.02 -0.56 0.00 0.00 0.00 173.10 174.06 3ddv h PRO 30 N -0.40 0.00 -0.18 2.90 0.13 -1.97 -2.09 132.00 130.38 3ddv h PRO 30 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3ddv h PRO 30 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 3ddv h PRO 30 CO 0.60 0.16 0.00 0.39 -0.23 0.00 0.00 178.00 178.91 3ddv n GLU 31 N -3.77 1.95 -3.03 0.86 -0.58 -1.26 -4.27 120.64 110.53 3ddv n GLU 31 Ca -0.02 -1.42 -0.40 0.00 -0.42 0.00 0.00 57.16 54.91 3ddv n GLU 31 Cb 0.26 -1.44 -0.05 0.00 -0.57 0.00 0.00 31.44 29.65 3ddv n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3ddv s ASP 32 N -1.64 7.04 0.53 1.62 1.01 -0.79 -5.02 116.67 119.41 3ddv s ASP 32 Ca 0.34 1.25 -0.16 0.00 0.71 0.00 0.00 52.55 54.69 3ddv s ASP 32 Cb 0.19 -2.42 -0.07 0.00 1.01 0.00 0.00 42.92 41.62 3ddv s ASP 32 CO 0.29 -0.08 0.99 -0.44 0.21 0.00 0.00 175.17 176.14 3ddv s SER 33 N 0.57 6.57 0.10 0.27 0.01 -1.26 -4.14 113.70 115.83 3ddv s SER 33 Ca 0.38 1.56 0.10 0.00 1.31 0.00 0.00 55.95 59.30 3ddv s SER 33 Cb -0.18 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 3ddv s SER 33 CO 0.19 -0.62 -0.27 0.27 0.41 0.00 0.00 173.24 173.22 3ddv s ILE 34 N -2.68 2.22 -0.08 1.44 -4.36 0.91 -1.02 121.20 117.62 3ddv s ILE 34 Ca 0.58 -1.65 -0.25 0.00 -0.26 0.00 0.00 60.65 59.08 3ddv s ILE 34 Cb -0.10 -1.95 -0.03 0.00 1.25 0.00 0.00 42.46 41.63 3ddv s ILE 34 CO 0.34 0.17 0.78 -0.22 0.24 0.00 0.00 174.94 176.25 3ddv s LEU 35 N -1.81 4.29 -0.14 0.37 2.96 0.20 -1.15 118.68 123.39 3ddv s LEU 35 Ca 0.13 1.26 0.01 0.00 -0.22 0.00 0.00 54.13 55.31 3ddv s LEU 35 Cb -0.10 -3.20 0.02 0.00 0.50 0.00 0.00 46.19 43.41 3ddv s LEU 35 CO 0.05 -0.21 -0.17 -0.60 -1.32 0.00 0.00 176.35 174.09 3ddv s ARG 36 N 1.20 2.56 -0.07 1.98 3.52 0.60 -1.64 118.95 127.10 3ddv s ARG 36 Ca 0.40 -0.67 0.02 0.00 -0.13 0.00 0.00 55.73 55.34 3ddv s ARG 36 Cb -0.18 -2.18 0.02 0.00 -1.56 0.00 0.00 34.95 31.05 3ddv s ARG 36 CO 0.18 -0.11 -0.10 1.41 -0.81 0.00 0.00 175.30 175.87 3ddv s MET 37 N 1.11 1.51 0.01 5.12 -2.45 -0.23 -1.52 119.30 122.84 3ddv s MET 37 Ca -0.02 -0.33 0.06 0.00 -1.25 0.00 0.00 55.69 54.15 3ddv s MET 37 Cb -0.14 -1.33 -0.02 0.00 1.25 0.00 0.00 34.83 34.59 3ddv s MET 37 CO -0.05 -0.04 -0.18 -1.21 1.05 0.00 0.00 175.02 174.58 3ddv s GLU 38 N 0.88 1.37 -0.07 4.11 2.02 0.18 -0.72 118.70 126.48 3ddv s GLU 38 Ca -0.11 -0.75 -0.24 0.00 0.02 0.00 0.00 54.97 53.90 3ddv s GLU 38 Cb -0.15 -1.38 0.05 0.00 0.10 0.00 0.00 34.13 32.75 3ddv s GLU 38 CO 0.01 0.37 0.54 0.50 0.02 0.00 0.00 175.26 176.70 3ddv s ARG 39 N -0.73 0.86 0.04 1.61 3.52 -0.88 -1.04 118.95 122.33 3ddv s ARG 39 Ca 0.06 0.21 0.07 0.00 -0.13 0.00 0.00 55.73 55.94 3ddv s ARG 39 Cb -0.08 0.40 -0.03 0.00 -1.56 0.00 0.00 34.95 33.68 3ddv s ARG 39 CO 0.00 -0.24 -0.16 0.42 -0.81 0.00 0.00 175.30 174.51 3ddv s ILE 40 N -0.98 2.92 -0.03 4.11 1.01 0.63 -0.94 121.20 127.93 3ddv s ILE 40 Ca -0.10 -1.14 0.05 0.00 0.00 0.00 0.00 60.65 59.46 3ddv s ILE 40 Cb -0.02 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.20 3ddv s ILE 40 CO 0.07 0.34 -0.19 -0.13 0.00 0.00 0.00 174.94 175.02 3ddv s ARG 41 N -1.47 1.78 0.10 2.79 0.52 -0.75 -1.17 118.95 120.75 3ddv s ARG 41 Ca 0.15 -0.67 0.07 0.00 -0.52 0.00 0.00 55.73 54.77 3ddv s ARG 41 Cb -0.11 -1.60 -0.04 0.00 0.52 0.00 0.00 34.95 33.73 3ddv s ARG 41 CO 0.06 0.32 -0.12 -0.06 0.02 0.00 0.00 175.30 175.52 3ddv s PHE 42 N -0.16 2.70 -0.07 -0.53 0.08 -0.77 0.54 117.98 119.76 3ddv s PHE 42 Ca 0.00 -0.17 0.01 0.00 0.12 0.00 0.00 56.93 56.89 3ddv s PHE 42 Cb -0.10 -1.43 0.02 0.00 -0.57 0.00 0.00 43.02 40.94 3ddv s PHE 42 CO 0.01 0.40 -0.07 0.00 -0.10 0.00 0.00 175.22 175.47 3ddv s ALA 43 N -1.17 0.96 -1.48 5.36 0.00 0.83 -4.55 121.76 121.70 3ddv s ALA 43 Ca 0.20 -0.26 -0.09 0.00 0.00 0.00 0.00 51.96 51.81 3ddv s ALA 43 Cb -0.11 -0.60 0.06 0.00 0.00 0.00 0.00 23.12 22.48 3ddv s ALA 43 CO 0.12 -0.12 0.82 -0.25 0.00 0.00 0.00 175.76 176.33 3ddv n ASP 44 N 4.30 -3.13 0.00 0.00 8.00 -1.26 -1.53 116.55 122.93 3ddv n ASP 44 Ca -0.20 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.46 3ddv n ASP 44 Cb 0.51 -3.68 0.00 0.00 -0.02 0.00 0.00 41.12 37.93 3ddv n ASP 44 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3ddv n ASP 45 N -2.89 -5.78 -4.78 -2.24 -0.08 -1.26 -4.96 116.55 94.55 3ddv n ASP 45 Ca -0.09 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 52.84 3ddv n ASP 45 Cb 0.58 -3.44 -0.07 0.00 2.34 0.00 0.00 41.12 40.53 3ddv n ASP 45 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3ddv s ILE 46 N -0.99 5.43 0.28 5.18 1.01 -0.58 -5.03 121.20 126.49 3ddv s ILE 46 Ca 0.00 0.24 -0.30 0.00 0.00 0.00 0.00 60.65 60.59 3ddv s ILE 46 Cb 0.00 -3.46 -0.13 0.00 0.01 0.00 0.00 42.46 38.87 3ddv s ILE 46 CO 0.00 0.50 1.27 -2.65 0.00 0.00 0.00 174.94 174.06 3ddv n PRO 47 N 2.96 1.84 -0.07 2.79 -0.02 -1.26 -0.12 135.00 141.11 3ddv n PRO 47 Ca -0.17 0.65 -0.12 0.00 -2.02 0.00 0.00 63.50 61.84 3ddv n PRO 47 Cb 0.53 -2.21 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 3ddv n PRO 47 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3ddv n ILE 48 N 1.02 0.84 -3.69 4.25 2.08 0.19 -4.77 119.36 119.27 3ddv n ILE 48 Ca 0.09 -0.29 -0.14 0.00 0.56 0.00 0.00 62.75 62.97 3ddv n ILE 48 Cb 0.32 -1.21 -0.08 0.00 -0.75 0.00 0.00 39.64 37.92 3ddv n ILE 48 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3ddv s PHE 50 N -0.81 2.82 -0.05 0.00 5.36 0.16 -1.80 117.98 123.67 3ddv s PHE 50 Ca -0.09 -0.15 -0.02 0.00 -0.96 0.00 0.00 56.93 55.72 3ddv s PHE 50 Cb -0.03 -1.70 0.03 0.00 -0.34 0.00 0.00 43.02 40.97 3ddv s PHE 50 CO 0.04 0.19 0.05 -2.00 -1.46 0.00 0.00 175.22 172.04 3ddv s GLU 51 N -0.59 0.07 -0.22 10.12 2.12 -0.11 0.07 118.70 130.16 3ddv s GLU 51 Ca 0.09 0.31 -0.08 0.00 0.36 0.00 0.00 54.97 55.64 3ddv s GLU 51 Cb -0.11 -0.59 -0.04 0.00 0.26 0.00 0.00 34.13 33.64 3ddv s GLU 51 CO 0.02 -0.31 0.10 0.08 -0.54 0.00 0.00 175.26 174.60 3ddv s VAL 52 N 2.05 4.83 -0.08 3.70 1.01 -0.32 -2.08 120.40 129.51 3ddv s VAL 52 Ca 0.04 -0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.06 3ddv s VAL 52 Cb -0.12 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 3ddv s VAL 52 CO -0.03 0.38 -0.24 0.00 0.00 0.00 0.00 175.10 175.21 3ddv s ALA 53 N 0.99 2.18 -0.08 5.51 0.00 0.10 -0.23 121.76 130.23 3ddv s ALA 53 Ca 0.05 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.05 3ddv s ALA 53 Cb -0.14 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 3ddv s ALA 53 CO 0.03 0.35 -0.20 -1.12 0.00 0.00 0.00 175.76 174.82 3ddv s SER 54 N 0.10 3.46 -0.03 0.00 0.01 -0.48 -1.07 113.70 115.69 3ddv s SER 54 Ca -0.12 -0.42 0.03 0.00 1.31 0.00 0.00 55.95 56.76 3ddv s SER 54 Cb -0.16 -1.07 0.00 0.00 0.21 0.00 0.00 66.02 65.00 3ddv s SER 54 CO 0.06 0.24 -0.10 -0.63 0.41 0.00 0.00 173.24 173.22 3ddv s ILE 55 N -0.11 0.87 0.15 1.44 1.01 -0.65 -0.79 121.20 123.13 3ddv s ILE 55 Ca -0.04 -0.42 -0.32 0.00 0.00 0.00 0.00 60.65 59.87 3ddv s ILE 55 Cb -0.14 -0.77 -0.12 0.00 0.01 0.00 0.00 42.46 41.44 3ddv s ILE 55 CO 0.04 0.27 1.76 -2.65 0.00 0.00 0.00 174.94 174.36 3ddv n PRO 56 N 3.22 2.68 -0.14 2.79 -0.02 -1.26 -0.63 135.00 141.64 3ddv n PRO 56 Ca -0.18 0.97 -0.03 0.00 -2.02 0.00 0.00 63.50 62.25 3ddv n PRO 56 Cb 0.54 -2.83 0.20 0.00 -0.02 0.00 0.00 33.50 31.39 3ddv n PRO 56 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3ddv h TYR 57 N 7.52 0.87 -0.51 6.00 3.20 -1.37 -1.81 116.97 130.86 3ddv h TYR 57 Ca -0.45 -0.07 0.12 0.00 3.14 0.00 0.00 58.73 61.47 3ddv h TYR 57 Cb 1.22 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 39.21 3ddv h TYR 57 CO 0.71 0.71 0.35 0.66 -1.64 0.00 0.00 178.16 178.95 3ddv h SER 58 N 0.82 0.16 0.87 -2.11 4.64 -1.89 0.28 113.55 116.32 3ddv h SER 58 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3ddv h SER 58 Cb 0.25 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3ddv h SER 58 CO -0.01 0.10 0.00 0.18 -0.87 0.00 0.00 176.83 176.23 3ddv n LEU 59 N -4.44 0.66 0.00 5.97 4.77 -0.68 -4.25 117.00 119.04 3ddv n LEU 59 Ca 0.09 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.71 3ddv n LEU 59 Cb 0.45 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3ddv n LEU 59 CO 0.35 -0.47 0.00 0.55 -1.33 0.00 0.00 177.39 176.49 3ddv n VAL 60 N -2.21 0.00 0.41 4.08 3.14 -0.09 -4.85 118.33 118.81 3ddv n VAL 60 Ca 0.03 0.00 0.10 0.00 -2.96 0.00 0.00 64.34 61.51 3ddv n VAL 60 Cb 0.27 1.59 0.43 0.00 -1.06 0.00 0.00 33.84 35.07 3ddv n VAL 60 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3ddv n SER 61 N 0.00 0.45 -0.90 6.55 3.41 -0.17 -1.80 113.62 121.15 3ddv n SER 61 Ca 0.00 0.62 0.08 0.00 -0.26 0.00 0.00 58.87 59.30 3ddv n SER 61 Cb 0.17 -0.71 0.22 0.00 -0.26 0.00 0.00 64.21 63.63 3ddv n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ddv n GLN 62 N -2.00 2.85 -3.40 4.33 0.00 -1.26 -5.00 117.38 112.90 3ddv n GLN 62 Ca 0.02 -2.29 -0.19 0.00 0.00 0.00 0.00 57.00 54.55 3ddv n GLN 62 Cb 0.20 -1.39 -0.01 0.00 0.00 0.00 0.00 30.24 29.03 3ddv n GLN 62 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 3ddv s TYR 63 N -1.05 2.84 -0.03 2.61 2.02 -0.75 -5.09 117.35 117.91 3ddv s TYR 63 Ca 0.33 -0.38 -0.18 0.00 -0.37 0.00 0.00 57.07 56.46 3ddv s TYR 63 Cb 0.17 -2.15 -0.05 0.00 -0.40 0.00 0.00 41.96 39.53 3ddv s TYR 63 CO 0.22 -0.16 0.52 0.20 -1.57 0.00 0.00 175.55 174.76 3ddv s GLY 64 N -4.19 2.52 0.36 0.71 0.00 -1.26 -4.96 107.32 100.50 3ddv s GLY 64 Ca 0.49 -0.09 0.15 0.00 0.00 0.00 0.00 44.72 45.28 3ddv s GLY 64 CO 0.30 0.61 1.71 1.70 0.00 0.00 0.00 173.10 177.41 3ddv h LYS 65 N 5.68 0.39 0.00 2.90 3.64 -1.98 0.88 116.57 128.08 3ddv h LYS 65 Ca -0.46 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 58.79 3ddv h LYS 65 Cb 1.20 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 3ddv h LYS 65 CO 0.69 0.26 -0.51 0.66 -2.27 0.00 0.00 179.45 178.27 3ddv h SER 66 N 0.40 0.00 0.75 4.20 4.64 -1.97 -1.14 113.55 120.43 3ddv h SER 66 Ca 0.68 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.77 3ddv h SER 66 Cb 1.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.66 3ddv h SER 66 CO -0.47 0.51 -1.05 1.05 -0.87 0.00 0.00 176.83 176.00 3ddv h GLU 67 N 0.00 0.15 -0.50 4.77 4.11 -1.24 0.65 114.58 122.52 3ddv h GLU 67 Ca -0.01 -0.23 -0.01 0.00 0.07 0.00 0.00 59.36 59.19 3ddv h GLU 67 Cb 1.30 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.61 3ddv h GLU 67 CO 0.07 1.06 0.26 0.82 0.07 0.00 0.00 179.01 181.29 3ddv h ILE 68 N 0.06 1.18 -0.04 -1.06 2.04 -1.19 -2.25 117.51 116.24 3ddv h ILE 68 Ca -0.06 -0.47 -0.25 0.00 1.00 0.00 0.00 64.86 65.08 3ddv h ILE 68 Cb 1.76 0.58 0.01 0.00 -0.74 0.00 0.00 36.82 38.43 3ddv h ILE 68 CO 0.16 0.19 -0.95 0.74 0.00 0.00 0.00 178.15 178.29 3ddv h THR 69 N 0.67 1.30 0.00 -0.27 2.02 -0.97 -3.35 112.91 112.31 3ddv h THR 69 Ca 0.18 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 65.15 3ddv h THR 69 Cb 0.07 2.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 3ddv h THR 69 CO -0.03 0.68 -1.18 0.59 0.37 0.00 0.00 175.52 175.95 3ddv n ASN 70 N -3.85 2.58 -2.69 4.18 4.13 0.22 -4.80 115.26 115.04 3ddv n ASN 70 Ca -0.09 -0.13 -0.07 0.00 1.68 0.00 0.00 54.58 55.96 3ddv n ASN 70 Cb 0.83 1.30 0.07 0.00 -1.54 0.00 0.00 39.78 40.45 3ddv n ASN 70 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3ddv n SER 71 N -1.67 -0.08 0.37 6.41 3.41 -1.03 -4.99 113.62 116.04 3ddv n SER 71 Ca -0.01 -2.54 -0.18 0.00 -0.26 0.00 0.00 58.87 55.88 3ddv n SER 71 Cb 0.20 0.17 -0.09 0.00 -0.26 0.00 0.00 64.21 64.23 3ddv n SER 71 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3ddv h PHE 72 N 2.46 -1.07 -0.01 7.33 3.57 -1.54 0.10 116.94 127.77 3ddv h PHE 72 Ca -0.19 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.31 3ddv h PHE 72 Cb 1.24 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 40.34 3ddv h PHE 72 CO 0.32 -0.61 -0.09 1.88 -2.23 0.00 0.00 178.31 177.57 3ddv h TYR 73 N -1.01 -0.24 -0.67 0.41 0.05 -1.91 0.00 116.97 113.61 3ddv h TYR 73 Ca -0.08 0.01 0.08 0.00 0.05 0.00 0.00 58.73 58.78 3ddv h TYR 73 Cb 0.81 0.11 -0.06 0.00 1.01 0.00 0.00 36.73 38.60 3ddv h TYR 73 CO -0.10 -0.15 0.34 0.87 -1.05 0.00 0.00 178.16 178.07 3ddv h LYS 74 N -0.16 0.58 -0.86 4.88 1.79 -1.93 0.48 116.57 121.35 3ddv h LYS 74 Ca 0.04 -0.03 0.06 0.00 -2.18 0.00 0.00 60.65 58.53 3ddv h LYS 74 Cb 0.21 -0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 30.68 3ddv h LYS 74 CO -0.11 0.38 0.56 1.15 -1.08 0.00 0.00 179.45 180.36 3ddv h THR 75 N 0.60 1.07 -0.02 -0.16 2.02 0.00 0.42 112.91 116.85 3ddv h THR 75 Ca 0.32 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 3ddv h THR 75 Cb 0.29 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 3ddv h THR 75 CO -0.24 0.18 -0.10 -0.07 0.37 0.00 0.00 175.52 175.66 3ddv h LEU 76 N 0.98 0.12 0.08 2.58 3.38 0.48 -0.51 115.31 122.42 3ddv h LEU 76 Ca 0.36 -0.69 0.02 0.00 0.09 0.00 0.00 57.88 57.67 3ddv h LEU 76 Cb 0.17 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3ddv h LEU 76 CO -0.13 0.78 -0.46 -0.33 0.09 0.00 0.00 178.44 178.40 3ddv h GLU 77 N -0.54 -0.65 -0.37 1.13 4.39 -0.98 0.68 114.58 118.25 3ddv h GLU 77 Ca -0.01 0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.79 3ddv h GLU 77 Cb 0.79 0.15 -0.08 0.00 -0.10 0.00 0.00 28.75 29.50 3ddv h GLU 77 CO 0.02 -0.43 -0.54 0.00 -1.16 0.00 0.00 179.01 176.90 3ddv h ALA 78 N -0.27 -0.76 0.00 3.43 0.00 -0.14 -3.37 119.26 118.15 3ddv h ALA 78 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ddv h ALA 78 Cb 0.71 1.08 0.00 0.00 0.00 0.00 0.00 17.79 19.58 3ddv h ALA 78 CO -0.28 -1.04 -0.38 1.63 0.00 0.00 0.00 179.25 179.18 3ddv n LYS 79 N -5.39 4.51 0.21 0.00 5.02 -0.21 -4.64 118.16 117.66 3ddv n LYS 79 Ca -0.04 -0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.37 3ddv n LYS 79 Cb 0.35 -0.72 0.23 0.00 -0.02 0.00 0.00 35.03 34.87 3ddv n LYS 79 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3ddv h SER 80 N 0.00 0.00 -3.83 4.39 4.64 -0.99 -3.47 113.55 114.28 3ddv h SER 80 Ca 0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 3ddv h SER 80 Cb 0.05 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.21 3ddv h SER 80 CO 0.00 0.00 -0.47 0.61 -0.87 0.00 0.00 176.83 176.10 3ddv n GLY 81 N 1.04 -0.18 3.14 -0.77 0.00 -1.26 -5.01 105.19 102.15 3ddv n GLY 81 Ca 0.04 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 3ddv n GLY 81 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ddv s HIS 82 N -3.09 0.27 0.08 1.61 3.76 -1.26 -5.16 115.29 111.49 3ddv s HIS 82 Ca 0.30 -0.69 0.08 0.00 -0.15 0.00 0.00 55.06 54.60 3ddv s HIS 82 Cb -0.13 -0.18 -0.03 0.00 1.11 0.00 0.00 32.58 33.35 3ddv s HIS 82 CO 0.37 -0.44 -0.22 -1.59 -0.85 0.00 0.00 174.74 172.02 3ddv s LYS 83 N -3.46 1.27 0.11 1.40 -2.85 -1.26 -4.50 119.74 110.45 3ddv s LYS 83 Ca 0.02 -1.09 -0.31 0.00 -1.00 0.00 0.00 55.97 53.59 3ddv s LYS 83 Cb 0.04 -1.50 -0.09 0.00 -2.06 0.00 0.00 37.83 34.22 3ddv s LYS 83 CO -0.09 0.36 1.54 0.42 0.10 0.00 0.00 175.35 177.69 3ddv s ILE 84 N -1.00 2.97 0.00 3.79 1.01 -1.26 0.79 121.20 127.50 3ddv s ILE 84 Ca 0.08 0.61 0.00 0.00 0.00 0.00 0.00 60.65 61.33 3ddv s ILE 84 Cb -0.10 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 38.98 3ddv s ILE 84 CO 0.03 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.61 3ddv n GLY 85 N 3.76 2.28 3.75 6.18 0.00 0.42 -4.53 105.19 117.05 3ddv n GLY 85 Ca 0.14 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 3ddv n GLY 85 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ddv s HIS 86 N 4.29 2.48 0.05 1.61 3.76 -1.25 -4.73 115.29 121.50 3ddv s HIS 86 Ca 0.00 1.27 -0.02 0.00 -0.15 0.00 0.00 55.06 56.16 3ddv s HIS 86 Cb 0.00 -3.13 -0.03 0.00 1.11 0.00 0.00 32.58 30.53 3ddv s HIS 86 CO 0.00 -2.15 0.00 -1.54 -0.85 0.00 0.00 174.74 170.20 3ddv s SER 87 N -3.54 0.40 0.09 1.40 1.04 -1.26 -0.61 113.70 111.21 3ddv s SER 87 Ca 0.62 -0.87 0.07 0.00 0.48 0.00 0.00 55.95 56.25 3ddv s SER 87 Cb -0.17 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.13 3ddv s SER 87 CO 0.56 -0.58 -0.18 0.54 0.98 0.00 0.00 173.24 174.57 3ddv s ASN 88 N -2.70 2.13 -0.02 7.02 2.20 -0.39 -4.99 114.94 118.20 3ddv s ASN 88 Ca 0.03 -0.64 0.06 0.00 -0.94 0.00 0.00 52.86 51.37 3ddv s ASN 88 Cb 0.05 -0.10 -0.01 0.00 -2.00 0.00 0.00 41.25 39.19 3ddv s ASN 88 CO -0.09 0.00 -0.20 -1.10 -2.94 0.00 0.00 177.10 172.77 3ddv s GLN 89 N -1.79 1.67 -0.20 3.55 -0.21 -1.26 -2.20 119.66 119.23 3ddv s GLN 89 Ca 0.03 -0.71 -0.00 0.00 0.02 0.00 0.00 55.36 54.69 3ddv s GLN 89 Cb -0.10 -1.59 0.01 0.00 1.00 0.00 0.00 33.01 32.34 3ddv s GLN 89 CO 0.03 0.41 -0.14 0.99 -2.12 0.00 0.00 175.29 174.45 3ddv s THR 90 N -0.40 2.48 -0.15 -0.19 2.01 0.20 -4.97 115.64 114.62 3ddv s THR 90 Ca 0.06 -0.84 -0.03 0.00 0.31 0.00 0.00 61.69 61.19 3ddv s THR 90 Cb -0.08 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.30 3ddv s THR 90 CO -0.00 0.47 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.73 3ddv s ILE 91 N 1.34 3.89 0.27 1.82 1.01 -1.26 -1.16 121.20 127.10 3ddv s ILE 91 Ca 0.05 -0.36 -0.10 0.00 0.00 0.00 0.00 60.65 60.23 3ddv s ILE 91 Cb -0.14 -2.69 -0.00 0.00 0.01 0.00 0.00 42.46 39.64 3ddv s ILE 91 CO -0.10 0.51 0.46 -0.94 0.00 0.00 0.00 174.94 174.87 3ddv s SER 92 N 0.22 0.11 -0.05 3.58 1.04 -0.40 -5.01 113.70 113.19 3ddv s SER 92 Ca -0.02 -1.08 0.03 0.00 0.48 0.00 0.00 55.95 55.36 3ddv s SER 92 Cb -0.14 0.59 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 3ddv s SER 92 CO 0.03 -1.16 -0.12 0.00 0.98 0.00 0.00 173.24 172.97 3ddv s ALA 93 N -3.79 2.77 0.07 5.32 0.00 -1.26 0.05 121.76 124.92 3ddv s ALA 93 Ca 0.25 -0.97 -0.16 0.00 0.00 0.00 0.00 51.96 51.09 3ddv s ALA 93 Cb -0.00 -1.04 0.03 0.00 0.00 0.00 0.00 23.12 22.11 3ddv s ALA 93 CO 0.11 0.57 0.36 0.54 0.00 0.00 0.00 175.76 177.34 3ddv s VAL 94 N -0.78 0.07 0.32 0.00 0.11 -0.38 -4.94 120.40 114.80 3ddv s VAL 94 Ca 0.12 -0.62 -0.22 0.00 -2.93 0.00 0.00 61.98 58.34 3ddv s VAL 94 Cb -0.11 -1.05 -0.10 0.00 -1.53 0.00 0.00 36.38 33.59 3ddv s VAL 94 CO 0.01 -0.34 0.86 -1.10 -3.33 0.00 0.00 175.10 171.21 3ddv s GLN 95 N -3.05 4.36 0.04 1.54 -0.21 -1.26 0.09 119.66 121.16 3ddv s GLN 95 Ca -0.02 1.09 -0.30 0.00 0.02 0.00 0.00 55.36 56.15 3ddv s GLN 95 Cb 0.01 -2.66 -0.07 0.00 1.00 0.00 0.00 33.01 31.29 3ddv s GLN 95 CO -0.06 0.24 1.47 0.00 -2.12 0.00 0.00 175.29 174.82 3ddv s ALA 96 N -1.74 3.62 0.98 6.09 0.00 0.58 -4.80 121.76 126.48 3ddv s ALA 96 Ca 0.51 1.01 -0.12 0.00 0.00 0.00 0.00 51.96 53.36 3ddv s ALA 96 Cb -0.15 -3.62 0.18 0.00 0.00 0.00 0.00 23.12 19.53 3ddv s ALA 96 CO 0.20 -0.92 1.09 -1.54 0.00 0.00 0.00 175.76 174.59 3ddv s SER 97 N 1.91 2.79 0.20 0.00 1.04 -1.26 -0.22 113.70 118.17 3ddv s SER 97 Ca 0.67 1.25 -0.08 0.00 0.48 0.00 0.00 55.95 58.27 3ddv s SER 97 Cb -0.35 -1.92 0.14 0.00 0.10 0.00 0.00 66.02 63.99 3ddv s SER 97 CO 0.29 -3.03 1.71 1.05 0.98 0.00 0.00 173.24 174.23 3ddv h GLU 98 N -1.82 1.10 -0.41 4.02 4.11 -1.96 0.52 114.58 120.13 3ddv h GLU 98 Ca -0.53 -0.28 0.05 0.00 0.07 0.00 0.00 59.36 58.67 3ddv h GLU 98 Cb 1.32 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 3ddv h GLU 98 CO 0.57 0.99 0.13 0.37 0.07 0.00 0.00 179.01 181.15 3ddv h GLN 99 N 1.03 0.28 -0.35 1.06 5.75 -1.99 0.41 115.11 121.30 3ddv h GLN 99 Ca 0.21 -0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.57 3ddv h GLN 99 Cb 0.41 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 3ddv h GLN 99 CO 0.01 0.19 -0.28 0.82 -2.65 0.00 0.00 178.83 176.91 3ddv h ILE 100 N 0.29 1.28 -0.13 2.39 5.03 -1.85 -1.72 117.51 122.80 3ddv h ILE 100 Ca 0.19 -1.42 -0.08 0.00 -0.12 0.00 0.00 64.86 63.44 3ddv h ILE 100 Cb 0.19 1.31 -0.01 0.00 -3.03 0.00 0.00 36.82 35.27 3ddv h ILE 100 CO -0.20 0.47 -0.26 0.00 -0.68 0.00 0.00 178.15 177.47 3ddv h ALA 101 N 1.04 1.32 0.62 1.87 0.00 0.18 0.11 119.26 124.40 3ddv h ALA 101 Ca 0.08 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3ddv h ALA 101 Cb 0.80 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.51 3ddv h ALA 101 CO 0.07 0.47 -0.30 1.49 0.00 0.00 0.00 179.25 180.97 3ddv h GLU 102 N 0.21 -0.81 -0.65 0.00 4.57 0.14 0.16 114.58 118.21 3ddv h GLU 102 Ca 0.03 0.06 0.12 0.00 -1.18 0.00 0.00 59.36 58.39 3ddv h GLU 102 Cb 0.59 0.18 -0.09 0.00 -0.16 0.00 0.00 28.75 29.27 3ddv h GLU 102 CO 0.04 -0.54 0.19 1.88 -1.18 0.00 0.00 179.01 179.41 3ddv h TYR 103 N -0.84 0.32 -0.01 0.92 0.99 -1.05 -1.98 116.97 115.33 3ddv h TYR 103 Ca -0.08 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.68 3ddv h TYR 103 Cb 0.65 -0.04 0.00 0.00 1.00 0.00 0.00 36.73 38.33 3ddv h TYR 103 CO 0.07 0.02 -0.19 1.28 -0.00 0.00 0.00 178.16 179.35 3ddv n LEU 104 N -5.07 1.04 -3.32 3.88 4.77 0.36 -4.90 117.00 113.76 3ddv n LEU 104 Ca 0.10 -0.27 -0.18 0.00 -0.03 0.00 0.00 56.01 55.64 3ddv n LEU 104 Cb 0.34 -0.10 0.07 0.00 -2.33 0.00 0.00 43.42 41.39 3ddv n LEU 104 CO 0.18 0.19 0.02 -0.62 -1.33 0.00 0.00 177.39 175.83 3ddv n GLU 105 N -0.53 -2.19 -4.23 3.23 1.02 0.44 -4.55 120.64 113.84 3ddv n GLU 105 Ca 0.14 0.81 -0.18 0.00 -0.02 0.00 0.00 57.16 57.91 3ddv n GLU 105 Cb 0.34 -5.58 -0.07 0.00 -0.02 0.00 0.00 31.44 26.10 3ddv n GLU 105 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3ddv s ILE 106 N -3.40 0.00 0.31 -3.67 -4.36 -0.44 -5.02 121.20 104.61 3ddv s ILE 106 Ca 0.45 -1.91 -0.21 0.00 -0.26 0.00 0.00 60.65 58.72 3ddv s ILE 106 Cb -0.08 -2.53 -0.09 0.00 1.25 0.00 0.00 42.46 41.01 3ddv s ILE 106 CO 0.76 0.00 0.83 -0.54 0.24 0.00 0.00 174.94 176.23 3ddv s LYS 107 N -3.41 4.31 0.30 0.37 1.02 -1.26 -4.48 119.74 116.58 3ddv s LYS 107 Ca 0.38 1.02 -0.27 0.00 0.02 0.00 0.00 55.97 57.12 3ddv s LYS 107 Cb 0.02 -2.66 -0.14 0.00 -0.52 0.00 0.00 37.83 34.53 3ddv s LYS 107 CO 0.25 0.25 0.93 -2.13 -0.92 0.00 0.00 175.35 173.73 3ddv n ARG 108 N 0.26 1.16 0.00 1.68 0.63 -1.26 -1.35 116.66 117.79 3ddv n ARG 108 Ca 0.02 0.41 0.00 0.00 -0.92 0.00 0.00 57.85 57.35 3ddv n ARG 108 Cb 0.52 -1.75 0.00 0.00 0.45 0.00 0.00 32.46 31.68 3ddv n ARG 108 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ddv n GLY 109 N 1.33 2.51 3.72 5.14 0.00 0.69 -4.90 105.19 113.69 3ddv n GLY 109 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 3ddv n GLY 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ddv s ASP 110 N -2.43 4.19 0.04 1.61 1.11 -0.46 -4.25 116.67 116.49 3ddv s ASP 110 Ca 0.00 2.37 -0.31 0.00 0.18 0.00 0.00 52.55 54.80 3ddv s ASP 110 Cb 0.00 -2.59 -0.07 0.00 1.07 0.00 0.00 42.92 41.33 3ddv s ASP 110 CO 0.00 -2.27 1.51 0.00 1.18 0.00 0.00 175.17 175.59 3ddv s ALA 111 N -1.95 3.63 -0.13 5.23 0.00 -1.26 -0.31 121.76 126.96 3ddv s ALA 111 Ca 0.75 1.05 -0.01 0.00 0.00 0.00 0.00 51.96 53.74 3ddv s ALA 111 Cb -0.30 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.17 3ddv s ALA 111 CO 0.45 -0.97 -0.09 0.42 0.00 0.00 0.00 175.76 175.57 3ddv s ILE 112 N 2.37 3.38 -0.32 0.00 -1.09 0.11 -0.90 121.20 124.76 3ddv s ILE 112 Ca 0.68 -0.55 -0.23 0.00 -2.23 0.00 0.00 60.65 58.33 3ddv s ILE 112 Cb -0.36 -2.44 -0.00 0.00 -1.58 0.00 0.00 42.46 38.08 3ddv s ILE 112 CO 0.29 0.52 0.75 -0.22 -1.23 0.00 0.00 174.94 175.05 3ddv s LEU 113 N 0.27 4.11 -0.25 2.97 2.96 -0.32 -1.25 118.68 127.16 3ddv s LEU 113 Ca -0.07 0.54 -0.09 0.00 -0.22 0.00 0.00 54.13 54.29 3ddv s LEU 113 Cb -0.15 -3.00 -0.04 0.00 0.50 0.00 0.00 46.19 43.50 3ddv s LEU 113 CO 0.04 -0.60 0.13 -0.60 -1.32 0.00 0.00 176.35 174.01 3ddv s ARG 114 N 2.89 3.87 -0.18 1.98 3.52 0.11 -0.42 118.95 130.71 3ddv s ARG 114 Ca 0.30 -0.37 -0.04 0.00 -0.13 0.00 0.00 55.73 55.50 3ddv s ARG 114 Cb -0.14 -3.48 -0.02 0.00 -1.56 0.00 0.00 34.95 29.75 3ddv s ARG 114 CO 0.13 -0.10 -0.04 0.08 -0.81 0.00 0.00 175.30 174.56 3ddv s VAL 115 N 1.46 3.64 -0.12 7.11 1.01 0.28 -1.28 120.40 132.51 3ddv s VAL 115 Ca 0.06 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 3ddv s VAL 115 Cb -0.15 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 3ddv s VAL 115 CO 0.06 0.46 -0.08 -0.13 0.00 0.00 0.00 175.10 175.41 3ddv s ARG 116 N 0.86 3.32 0.01 2.72 0.52 -0.31 -0.58 118.95 125.48 3ddv s ARG 116 Ca -0.01 -0.60 0.01 0.00 -0.52 0.00 0.00 55.73 54.62 3ddv s ARG 116 Cb -0.15 -2.72 -0.01 0.00 0.52 0.00 0.00 34.95 32.60 3ddv s ARG 116 CO 0.01 0.34 -0.04 -1.14 0.02 0.00 0.00 175.30 174.49 3ddv s GLN 117 N 0.06 0.34 -0.07 3.54 0.74 0.34 0.58 119.66 125.19 3ddv s GLN 117 Ca -0.03 -0.28 0.02 0.00 0.05 0.00 0.00 55.36 55.13 3ddv s GLN 117 Cb -0.14 -0.26 0.01 0.00 1.10 0.00 0.00 33.01 33.72 3ddv s GLN 117 CO 0.03 0.06 -0.13 0.08 -0.55 0.00 0.00 175.29 174.79 3ddv s VAL 118 N -0.42 1.21 -0.08 1.34 1.01 -0.93 -0.60 120.40 121.93 3ddv s VAL 118 Ca -0.02 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.48 3ddv s VAL 118 Cb -0.04 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 3ddv s VAL 118 CO -0.00 0.37 -0.20 -0.44 0.00 0.00 0.00 175.10 174.83 3ddv s SER 119 N 0.66 3.46 0.19 3.32 0.01 -1.01 -1.26 113.70 119.07 3ddv s SER 119 Ca -0.15 -0.42 0.08 0.00 1.31 0.00 0.00 55.95 56.77 3ddv s SER 119 Cb -0.16 -1.11 -0.04 0.00 0.21 0.00 0.00 66.02 64.92 3ddv s SER 119 CO 0.04 0.23 -0.01 -0.31 0.41 0.00 0.00 173.24 173.60 3ddv s TYR 120 N -0.07 2.80 0.68 2.43 2.02 0.22 -0.99 117.35 124.44 3ddv s TYR 120 Ca -0.05 -0.16 -0.11 0.00 -0.37 0.00 0.00 57.07 56.38 3ddv s TYR 120 Cb -0.14 -1.35 0.00 0.00 -0.40 0.00 0.00 41.96 40.07 3ddv s TYR 120 CO 0.04 0.53 1.06 -0.06 -1.57 0.00 0.00 175.55 175.55 3ddv s PHE 121 N -1.79 3.19 0.60 2.71 0.08 0.33 -0.43 117.98 122.66 3ddv s PHE 121 Ca 0.28 1.40 0.30 0.00 0.12 0.00 0.00 56.93 59.02 3ddv s PHE 121 Cb -0.09 -2.86 1.70 0.00 -0.57 0.00 0.00 43.02 41.21 3ddv s PHE 121 CO 0.18 -1.16 2.12 0.93 -0.10 0.00 0.00 175.22 177.20 3ddv h GLU 122 N -0.66 0.00 -0.19 0.44 5.08 0.15 0.40 114.58 119.80 3ddv h GLU 122 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3ddv h GLU 122 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3ddv h GLU 122 CO 0.58 0.00 0.00 0.27 -1.00 0.00 0.00 179.01 178.86 3ddv n ASN 123 N -3.74 0.30 0.00 1.42 6.94 -1.26 -4.92 115.26 114.00 3ddv n ASN 123 Ca 0.01 -2.01 0.00 0.00 -0.02 0.00 0.00 54.58 52.56 3ddv n ASN 123 Cb 0.30 -0.10 0.00 0.00 -2.36 0.00 0.00 39.78 37.62 3ddv n ASN 123 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ddv n GLY 124 N 0.45 0.79 3.63 4.83 0.00 0.14 -5.02 105.19 110.01 3ddv n GLY 124 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3ddv n GLY 124 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ddv s LEU 125 N 0.00 4.07 0.21 0.99 2.96 -1.24 -4.78 118.68 120.89 3ddv s LEU 125 Ca 0.00 0.83 -0.32 0.00 -0.22 0.00 0.00 54.13 54.42 3ddv s LEU 125 Cb 0.00 -3.17 -0.12 0.00 0.50 0.00 0.00 46.19 43.40 3ddv s LEU 125 CO 0.00 -0.61 1.70 -2.65 -1.32 0.00 0.00 176.35 173.47 3ddv n PRO 126 N 6.21 2.72 0.00 0.98 -0.02 -1.26 -0.51 135.00 143.12 3ddv n PRO 126 Ca 0.05 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 3ddv n PRO 126 Cb 0.48 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 3ddv n PRO 126 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3ddv n PHE 127 N 3.75 0.00 -3.55 6.00 1.16 -0.16 -4.87 117.46 119.79 3ddv n PHE 127 Ca 0.15 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.56 3ddv n PHE 127 Cb 0.34 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.15 3ddv n PHE 127 CO 0.00 0.00 0.00 -1.83 -1.87 0.00 0.00 176.76 173.06 3ddv s GLU 128 N -0.65 1.01 -0.24 3.97 -1.05 -1.21 -4.20 118.70 116.34 3ddv s GLU 128 Ca 0.00 0.36 0.02 0.00 -0.15 0.00 0.00 54.97 55.20 3ddv s GLU 128 Cb 0.00 0.48 0.06 0.00 -0.44 0.00 0.00 34.13 34.22 3ddv s GLU 128 CO 0.00 -0.29 -0.09 -0.47 0.95 0.00 0.00 175.26 175.36 3ddv s TYR 129 N -0.95 2.80 -0.06 4.83 5.04 0.03 -2.40 117.35 126.64 3ddv s TYR 129 Ca -0.09 -1.98 0.05 0.00 -2.44 0.00 0.00 57.07 52.60 3ddv s TYR 129 Cb -0.01 -1.76 -0.02 0.00 0.35 0.00 0.00 41.96 40.53 3ddv s TYR 129 CO 0.08 -0.82 -0.20 0.54 -1.34 0.00 0.00 175.55 173.81 3ddv s VAL 130 N 1.26 2.48 -0.19 3.14 0.11 0.23 -1.38 120.40 126.04 3ddv s VAL 130 Ca -0.06 -0.92 -0.01 0.00 -2.93 0.00 0.00 61.98 58.06 3ddv s VAL 130 Cb -0.19 -1.94 0.05 0.00 -1.53 0.00 0.00 36.38 32.77 3ddv s VAL 130 CO -0.06 0.57 -0.03 -0.13 -3.33 0.00 0.00 175.10 172.12 3ddv s ARG 131 N -0.27 1.27 -0.08 1.54 0.52 0.68 -0.51 118.95 122.10 3ddv s ARG 131 Ca 0.00 -0.64 0.04 0.00 -0.52 0.00 0.00 55.73 54.62 3ddv s ARG 131 Cb -0.13 -2.21 -0.01 0.00 0.52 0.00 0.00 34.95 33.12 3ddv s ARG 131 CO 0.03 -0.54 -0.21 0.99 0.02 0.00 0.00 175.30 175.59 3ddv s THR 132 N 1.62 2.40 -0.23 0.02 2.01 0.25 -1.17 115.64 120.54 3ddv s THR 132 Ca -0.02 -0.93 -0.01 0.00 0.31 0.00 0.00 61.69 61.04 3ddv s THR 132 Cb -0.17 -1.92 0.02 0.00 0.01 0.00 0.00 72.50 70.45 3ddv s THR 132 CO -0.07 0.56 -0.09 -1.10 -0.69 0.00 0.00 174.62 173.23 3ddv s GLN 133 N -0.08 2.89 -0.08 4.92 -0.21 0.11 -0.55 119.66 126.66 3ddv s GLN 133 Ca -0.05 -0.93 -0.03 0.00 0.02 0.00 0.00 55.36 54.37 3ddv s GLN 133 Cb -0.14 -2.89 -0.04 0.00 1.00 0.00 0.00 33.01 30.94 3ddv s GLN 133 CO 0.04 -0.35 0.04 0.71 -2.12 0.00 0.00 175.29 173.62 3ddv s TYR 134 N 1.32 3.27 -0.09 0.91 2.02 0.44 0.39 117.35 125.61 3ddv s TYR 134 Ca 0.01 0.26 -0.29 0.00 -0.37 0.00 0.00 57.07 56.68 3ddv s TYR 134 Cb -0.16 -1.81 -0.07 0.00 -0.40 0.00 0.00 41.96 39.53 3ddv s TYR 134 CO -0.06 0.54 2.00 0.00 -1.57 0.00 0.00 175.55 176.45 3ddv s ALA 135 N -0.98 3.24 0.15 3.71 0.00 -0.74 -1.18 121.76 125.97 3ddv s ALA 135 Ca 0.15 1.00 -0.18 0.00 0.00 0.00 0.00 51.96 52.94 3ddv s ALA 135 Cb -0.12 -3.92 0.05 0.00 0.00 0.00 0.00 23.12 19.13 3ddv s ALA 135 CO 0.05 -2.04 1.70 0.78 0.00 0.00 0.00 175.76 176.24 3ddv h GLY 136 N 12.30 0.28 2.00 0.00 0.00 -1.36 -2.32 103.07 113.98 3ddv h GLY 136 Ca -0.44 0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3ddv h GLY 136 CO 0.96 -0.09 0.00 1.48 0.00 0.00 0.00 176.54 178.88 3ddv h SER 137 N 0.05 0.00 -0.16 0.19 4.64 -1.91 -2.69 113.55 113.67 3ddv h SER 137 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3ddv h SER 137 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3ddv h SER 137 CO -0.29 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.21 3ddv n ARG 138 N -2.96 1.94 -4.05 4.77 1.74 -0.90 -5.01 116.66 112.19 3ddv n ARG 138 Ca -0.00 -1.84 -0.09 0.00 -0.77 0.00 0.00 57.85 55.15 3ddv n ARG 138 Cb 0.24 -1.39 -0.11 0.00 -1.02 0.00 0.00 32.46 30.18 3ddv n ARG 138 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3ddv s PHE 139 N -1.46 0.45 -0.03 -1.55 5.36 -1.01 -5.00 117.98 114.74 3ddv s PHE 139 Ca 0.27 -0.79 -0.01 0.00 -0.96 0.00 0.00 56.93 55.43 3ddv s PHE 139 Cb 0.17 -0.31 0.02 0.00 -0.34 0.00 0.00 43.02 42.56 3ddv s PHE 139 CO 0.25 -0.26 0.06 -1.21 -1.46 0.00 0.00 175.22 172.59 3ddv s GLU 140 N -2.71 0.02 -0.31 10.12 0.41 -1.26 -4.87 118.70 120.10 3ddv s GLU 140 Ca -0.04 0.17 -0.14 0.00 -0.41 0.00 0.00 54.97 54.56 3ddv s GLU 140 Cb -0.01 -0.13 -0.03 0.00 -1.78 0.00 0.00 34.13 32.18 3ddv s GLU 140 CO -0.05 -0.11 0.32 0.12 -0.49 0.00 0.00 175.26 175.05 3ddv s PHE 141 N 0.69 3.22 -0.20 1.61 2.19 -1.26 -5.03 117.98 119.21 3ddv s PHE 141 Ca -0.06 0.12 -0.20 0.00 0.33 0.00 0.00 56.93 57.13 3ddv s PHE 141 Cb -0.08 -2.56 -0.03 0.00 -1.31 0.00 0.00 43.02 39.04 3ddv s PHE 141 CO -0.02 -0.31 0.59 0.71 1.83 0.00 0.00 175.22 178.02 3ddv s TYR 142 N 1.95 3.37 -0.03 10.12 2.02 -1.26 -5.04 117.35 128.49 3ddv s TYR 142 Ca 0.11 0.87 -0.29 0.00 -0.37 0.00 0.00 57.07 57.39 3ddv s TYR 142 Cb -0.16 -2.75 -0.03 0.00 -0.40 0.00 0.00 41.96 38.62 3ddv s TYR 142 CO 0.11 -0.15 0.96 -0.51 -1.57 0.00 0.00 175.55 174.39 3ddv s LEU 143 N 1.81 4.34 0.00 -1.29 1.02 -1.26 -5.34 118.68 117.95 3ddv s LEU 143 Ca 0.27 1.58 0.00 0.00 0.02 0.00 0.00 54.13 56.00 3ddv s LEU 143 Cb -0.16 -3.51 0.00 0.00 0.02 0.00 0.00 46.19 42.54 3ddv s LEU 143 CO 0.10 -0.29 0.38 -0.62 0.02 0.00 0.00 176.35 175.95