#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o85 n LEU 4 N 0.00 0.44 -0.33 0.99 4.77 -1.16 -3.73 117.00 117.97 1o85 n LEU 4 Ca 0.00 0.32 0.12 0.00 -0.03 0.00 0.00 56.01 56.42 1o85 n LEU 4 Cb 0.00 -0.33 0.30 0.00 -2.33 0.00 0.00 43.42 41.06 1o85 n LEU 4 CO 0.00 -0.01 1.15 -0.78 -1.33 0.00 0.00 177.39 176.42 1o85 h ASP 5 N 0.00 0.67 -0.04 -1.43 1.82 -1.91 -1.50 116.42 114.03 1o85 h ASP 5 Ca 0.00 0.10 -0.04 0.00 -0.39 0.00 0.00 57.03 56.71 1o85 h ASP 5 Cb 0.60 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.59 1o85 h ASP 5 CO 0.00 0.22 -0.06 0.50 -1.61 0.00 0.00 179.24 178.29 1o85 h LYS 6 N 0.68 0.25 0.03 0.28 3.64 -2.00 -2.40 116.57 117.05 1o85 h LYS 6 Ca 0.55 -0.05 -0.34 0.00 -1.27 0.00 0.00 60.65 59.55 1o85 h LYS 6 Cb 0.88 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.61 1o85 h LYS 6 CO -0.40 0.34 -2.01 0.66 -2.27 0.00 0.00 179.45 175.76 1o85 n TYR 7 N -4.33 0.71 -3.37 1.91 0.53 -0.65 -4.56 117.16 107.41 1o85 n TYR 7 Ca -0.00 0.22 -0.26 0.00 -1.02 0.00 0.00 57.90 56.83 1o85 n TYR 7 Cb 0.22 -1.12 -0.08 0.00 -1.03 0.00 0.00 39.34 37.33 1o85 n TYR 7 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 1o85 n LEU 8 N -3.08 2.37 -4.68 7.72 4.77 -0.73 -4.72 117.00 118.65 1o85 n LEU 8 Ca -0.27 -5.14 -0.49 0.00 -0.03 0.00 0.00 56.01 50.08 1o85 n LEU 8 Cb 1.07 -0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 41.92 1o85 n LEU 8 CO 0.42 2.04 1.41 -2.65 -1.33 0.00 0.00 177.39 177.28 1o85 n PRO 9 N 1.16 2.03 -1.49 3.23 -0.02 -0.91 -1.94 135.00 137.06 1o85 n PRO 9 Ca 0.26 0.74 -0.17 0.00 -2.02 0.00 0.00 63.50 62.32 1o85 n PRO 9 Cb 0.45 -2.55 -0.07 0.00 -0.02 0.00 0.00 33.50 31.30 1o85 n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1o85 n GLY 10 N 4.17 1.68 3.70 -1.23 0.00 -1.26 -4.97 105.19 107.28 1o85 n GLY 10 Ca 0.22 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1o85 n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1o85 s ILE 11 N -2.60 5.29 -0.09 -0.61 1.01 -0.82 -4.95 121.20 118.43 1o85 s ILE 11 Ca 0.00 0.51 0.07 0.00 0.00 0.00 0.00 60.65 61.23 1o85 s ILE 11 Cb 0.00 -3.63 -0.09 0.00 0.01 0.00 0.00 42.46 38.75 1o85 s ILE 11 CO 0.00 0.34 0.18 -1.84 0.00 0.00 0.00 174.94 173.62 1o85 n GLU 12 N 3.98 1.51 -4.42 2.79 0.28 -1.26 -4.83 120.64 118.69 1o85 n GLU 12 Ca -0.12 -0.04 -0.20 0.00 -0.16 0.00 0.00 57.16 56.64 1o85 n GLU 12 Cb 0.52 -1.06 -0.14 0.00 1.43 0.00 0.00 31.44 32.19 1o85 n GLU 12 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1o85 s LYS 13 N -2.22 0.94 0.12 3.44 -0.14 -1.26 -0.50 119.74 120.11 1o85 s LYS 13 Ca -0.01 -0.62 0.08 0.00 -1.36 0.00 0.00 55.97 54.06 1o85 s LYS 13 Cb 0.04 -0.92 -0.04 0.00 -1.68 0.00 0.00 37.83 35.23 1o85 s LYS 13 CO 0.27 0.24 -0.20 -0.51 -0.76 0.00 0.00 175.35 174.40 1o85 s LEU 14 N -0.79 2.35 0.39 3.17 1.43 0.03 -4.73 118.68 120.52 1o85 s LEU 14 Ca 0.02 -0.74 -0.25 0.00 -1.03 0.00 0.00 54.13 52.13 1o85 s LEU 14 Cb -0.07 -0.85 -0.09 0.00 0.03 0.00 0.00 46.19 45.22 1o85 s LEU 14 CO 0.00 0.02 1.09 -0.13 0.23 0.00 0.00 176.35 177.56 1o85 s ARG 15 N -2.20 4.18 -0.20 1.70 1.81 0.65 -0.50 118.95 124.38 1o85 s ARG 15 Ca 0.09 1.63 -0.04 0.00 -1.72 0.00 0.00 55.73 55.69 1o85 s ARG 15 Cb -0.09 -2.65 0.10 0.00 -0.45 0.00 0.00 34.95 31.87 1o85 s ARG 15 CO 0.05 -0.16 0.31 0.50 -0.68 0.00 0.00 175.30 175.32 1o85 s ARG 16 N -2.33 0.25 5.45 3.54 3.52 -0.32 -1.15 118.95 127.91 1o85 s ARG 16 Ca 0.56 0.56 0.00 0.00 -0.13 0.00 0.00 55.73 56.73 1o85 s ARG 16 Cb -0.26 -0.46 0.00 0.00 -1.56 0.00 0.00 34.95 32.67 1o85 s ARG 16 CO 0.32 -0.50 0.00 0.41 -0.81 0.00 0.00 175.30 174.72 1o85 n GLY 17 N 5.35 3.59 0.52 8.12 0.00 -1.26 -1.99 105.19 119.53 1o85 n GLY 17 Ca -0.05 0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.23 1o85 n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1o85 n ASP 18 N 6.12 2.08 0.00 1.61 8.00 -1.26 -4.95 116.55 128.15 1o85 n ASP 18 Ca 0.00 -1.54 0.00 0.00 0.71 0.00 0.00 54.79 53.96 1o85 n ASP 18 Cb 0.00 0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1o85 n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1o85 n GLY 19 N 1.39 5.08 3.08 0.44 0.00 -0.84 -5.16 105.19 109.17 1o85 n GLY 19 Ca 0.09 -1.84 -0.08 0.00 0.00 0.00 0.00 46.02 44.20 1o85 n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1o85 s GLU 20 N 2.06 0.58 0.14 1.61 -1.05 -1.26 -1.17 118.70 119.60 1o85 s GLU 20 Ca 0.00 -1.13 0.07 0.00 -0.15 0.00 0.00 54.97 53.76 1o85 s GLU 20 Cb 0.00 0.17 -0.04 0.00 -0.44 0.00 0.00 34.13 33.82 1o85 s GLU 20 CO 0.00 -0.10 -0.17 0.14 0.95 0.00 0.00 175.26 176.09 1o85 s VAL 21 N -3.53 1.63 0.34 1.83 -7.23 0.34 -4.84 120.40 108.94 1o85 s VAL 21 Ca 0.04 -1.82 -0.26 0.00 -1.81 0.00 0.00 61.98 58.13 1o85 s VAL 21 Cb 0.05 -1.71 -0.09 0.00 0.56 0.00 0.00 36.38 35.19 1o85 s VAL 21 CO -0.08 -0.34 1.02 -1.61 -0.31 0.00 0.00 175.10 173.78 1o85 s GLU 22 N -2.69 4.42 0.53 4.82 0.41 -1.26 -0.79 118.70 124.15 1o85 s GLU 22 Ca 0.13 1.50 0.21 0.00 -0.41 0.00 0.00 54.97 56.40 1o85 s GLU 22 Cb -0.06 -2.78 1.38 0.00 -1.78 0.00 0.00 34.13 30.89 1o85 s GLU 22 CO 0.05 0.09 2.11 0.28 -0.49 0.00 0.00 175.26 177.30 1o85 h VAL 23 N 2.54 0.85 -0.17 2.63 2.07 -1.12 -1.96 116.25 121.08 1o85 h VAL 23 Ca -0.47 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.10 1o85 h VAL 23 Cb 1.21 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1o85 h VAL 23 CO 0.64 0.00 0.20 0.11 0.02 0.00 0.00 177.57 178.55 1o85 h LYS 24 N 0.00 0.00 0.00 1.57 1.79 -1.92 -2.35 116.57 115.66 1o85 h LYS 24 Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1o85 h LYS 24 Cb 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1o85 h LYS 24 CO -0.00 0.00 0.00 -1.13 -1.08 0.00 0.00 179.45 177.24 1o85 n SER 25 N -3.73 0.00 -0.53 0.86 3.41 -0.74 -2.61 113.62 110.29 1o85 n SER 25 Ca 0.01 0.41 0.10 0.00 -0.26 0.00 0.00 58.87 59.14 1o85 n SER 25 Cb 0.32 -0.45 0.38 0.00 -0.26 0.00 0.00 64.21 64.20 1o85 n SER 25 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1o85 n LEU 26 N -1.45 1.58 -4.59 1.04 4.77 -0.88 -4.98 117.00 112.49 1o85 n LEU 26 Ca 0.04 -0.66 -0.52 0.00 -0.03 0.00 0.00 56.01 54.84 1o85 n LEU 26 Cb 0.14 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1o85 n LEU 26 CO 0.12 0.33 0.86 0.00 -1.33 0.00 0.00 177.39 177.37 1o85 n ALA 27 N 0.27 -1.02 -0.29 -1.18 0.00 -1.07 -1.49 120.51 115.72 1o85 n ALA 27 Ca 0.16 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.11 1o85 n ALA 27 Cb 0.32 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1o85 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o85 n GLY 28 N 2.41 2.41 3.91 0.00 0.00 -1.26 -5.02 105.19 107.63 1o85 n GLY 28 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1o85 n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o85 s LYS 29 N -0.00 3.60 0.07 1.61 1.02 -0.55 -4.91 119.74 120.58 1o85 s LYS 29 Ca 0.00 0.11 -0.29 0.00 0.02 0.00 0.00 55.97 55.81 1o85 s LYS 29 Cb 0.00 -2.50 -0.05 0.00 -0.52 0.00 0.00 37.83 34.76 1o85 s LYS 29 CO 0.00 -0.00 0.92 -1.17 -0.92 0.00 0.00 175.35 174.18 1o85 s LEU 30 N -4.18 4.45 -0.18 3.17 2.96 -0.93 -1.68 118.68 122.29 1o85 s LEU 30 Ca 0.46 1.67 -0.01 0.00 -0.22 0.00 0.00 54.13 56.04 1o85 s LEU 30 Cb -0.10 -3.50 0.00 0.00 0.50 0.00 0.00 46.19 43.09 1o85 s LEU 30 CO 0.37 -0.10 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.48 1o85 s VAL 31 N 0.24 2.67 -0.27 1.68 1.01 0.41 -0.83 120.40 125.31 1o85 s VAL 31 Ca 0.46 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 1o85 s VAL 31 Cb -0.22 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 1o85 s VAL 31 CO 0.28 0.50 0.19 -0.36 0.00 0.00 0.00 175.10 175.70 1o85 s PHE 32 N 1.17 3.23 -0.18 5.22 0.40 0.32 -0.63 117.98 127.52 1o85 s PHE 32 Ca 0.02 0.14 -0.26 0.00 -0.60 0.00 0.00 56.93 56.22 1o85 s PHE 32 Cb -0.14 -2.37 -0.01 0.00 0.51 0.00 0.00 43.02 41.01 1o85 s PHE 32 CO -0.05 -0.13 0.87 -0.06 0.70 0.00 0.00 175.22 176.55 1o85 s PHE 33 N 1.66 3.40 -0.40 0.36 0.40 0.57 -0.06 117.98 123.91 1o85 s PHE 33 Ca 0.07 1.29 -0.07 0.00 -0.60 0.00 0.00 56.93 57.62 1o85 s PHE 33 Cb -0.16 -3.06 0.08 0.00 0.51 0.00 0.00 43.02 40.39 1o85 s PHE 33 CO 0.10 -0.29 0.22 -0.47 0.70 0.00 0.00 175.22 175.48 1o85 s TYR 34 N 2.35 3.37 -0.29 0.36 5.04 0.04 -1.54 117.35 126.67 1o85 s TYR 34 Ca 0.39 -1.70 -0.19 0.00 -2.44 0.00 0.00 57.07 53.13 1o85 s TYR 34 Cb -0.16 -2.89 -0.01 0.00 0.35 0.00 0.00 41.96 39.24 1o85 s TYR 34 CO 0.11 -0.86 0.59 -0.06 -1.34 0.00 0.00 175.55 174.00 1o85 s PHE 35 N 1.36 3.23 0.30 4.97 0.40 -0.08 -0.38 117.98 127.78 1o85 s PHE 35 Ca 0.03 0.58 -0.17 0.00 -0.60 0.00 0.00 56.93 56.77 1o85 s PHE 35 Cb -0.23 -2.90 0.02 0.00 0.51 0.00 0.00 43.02 40.42 1o85 s PHE 35 CO 0.01 -0.42 0.66 0.45 0.70 0.00 0.00 175.22 176.62 1o85 s SER 36 N 1.61 -0.09 -0.03 1.36 0.15 -1.18 -2.06 113.70 113.45 1o85 s SER 36 Ca 0.24 -0.85 -0.25 0.00 0.70 0.00 0.00 55.95 55.78 1o85 s SER 36 Cb -0.15 0.72 0.05 0.00 -1.71 0.00 0.00 66.02 64.93 1o85 s SER 36 CO 0.11 -1.37 0.55 0.00 1.20 0.00 0.00 173.24 173.74 1o85 s ALA 37 N -3.57 -1.43 0.45 5.45 0.00 -1.26 -1.16 121.76 120.24 1o85 s ALA 37 Ca 0.16 0.96 0.14 0.00 0.00 0.00 0.00 51.96 53.22 1o85 s ALA 37 Cb -0.04 0.05 1.06 0.00 0.00 0.00 0.00 23.12 24.19 1o85 s ALA 37 CO 0.09 -0.34 2.01 0.66 0.00 0.00 0.00 175.76 178.18 1o85 h SER 38 N 3.26 0.31 1.10 0.00 4.64 -1.98 -2.44 113.55 118.44 1o85 h SER 38 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1o85 h SER 38 Cb 1.16 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1o85 h SER 38 CO 0.39 0.20 0.00 -2.67 -0.87 0.00 0.00 176.83 173.88 1o85 n TRP 39 N -4.47 0.43 -2.83 4.77 4.27 -1.26 -4.85 117.44 113.50 1o85 n TRP 39 Ca 0.07 0.13 -0.42 0.00 -3.89 0.00 0.00 57.50 53.39 1o85 n TRP 39 Cb 0.31 -0.72 -0.04 0.00 -1.36 0.00 0.00 31.31 29.51 1o85 n TRP 39 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1o85 h PRO 41 N 8.05 -0.25 0.00 0.00 0.11 -1.89 -2.80 132.00 135.23 1o85 h PRO 41 Ca -0.23 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.89 1o85 h PRO 41 Cb 1.08 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1o85 h PRO 41 CO 0.93 -0.16 -0.04 -1.00 -0.21 0.00 0.00 178.00 177.52 1o85 h PRO 42 N -0.25 0.00 -0.17 1.05 0.13 -1.94 -2.35 132.00 128.47 1o85 h PRO 42 Ca 0.03 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.14 1o85 h PRO 42 Cb 0.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 1o85 h PRO 42 CO -0.08 0.04 0.02 0.00 -0.23 0.00 0.00 178.00 177.75 1o85 h ARG 44 N 0.24 0.39 0.00 0.00 3.08 -1.45 -1.02 114.38 115.63 1o85 h ARG 44 Ca 0.06 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 1o85 h ARG 44 Cb 0.13 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1o85 h ARG 44 CO -0.00 0.26 -0.53 0.78 -1.07 0.00 0.00 179.97 179.41 1o85 h GLY 45 N 0.41 0.00 0.85 0.04 0.00 -1.71 -3.35 103.07 99.31 1o85 h GLY 45 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.20 1o85 h GLY 45 CO -0.10 0.00 -1.36 -2.75 0.00 0.00 0.00 176.54 172.32 1o85 h PHE 46 N 0.00 0.68 -0.56 5.60 3.57 -1.27 -3.37 116.94 121.59 1o85 h PHE 46 Ca -0.01 -0.49 0.11 0.00 3.53 0.00 0.00 57.97 61.11 1o85 h PHE 46 Cb 1.15 -0.03 -0.10 0.00 2.79 0.00 0.00 35.95 39.76 1o85 h PHE 46 CO 0.00 1.53 -0.12 1.15 -2.23 0.00 0.00 178.31 178.64 1o85 h THR 47 N -0.11 0.45 -0.41 4.41 2.02 -1.33 -0.69 112.91 117.25 1o85 h THR 47 Ca -0.26 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1o85 h THR 47 Cb 1.92 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.74 1o85 h THR 47 CO 0.17 0.00 0.22 1.55 0.37 0.00 0.00 175.52 177.83 1o85 h PRO 48 N 0.02 0.55 -0.63 6.66 0.13 -1.75 0.00 132.00 136.98 1o85 h PRO 48 Ca 0.27 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 65.29 1o85 h PRO 48 Cb 0.42 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.41 1o85 h PRO 48 CO -0.56 0.41 0.17 1.96 -0.23 0.00 0.00 178.00 179.75 1o85 h GLN 49 N 0.56 1.00 -0.50 0.86 4.20 -1.32 -1.58 115.11 118.33 1o85 h GLN 49 Ca 0.15 -0.23 -0.09 0.00 0.06 0.00 0.00 58.65 58.54 1o85 h GLN 49 Cb 0.03 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1o85 h GLN 49 CO -0.02 0.90 -0.04 1.25 -0.67 0.00 0.00 178.83 180.25 1o85 h LEU 50 N 0.92 0.84 -0.58 1.46 5.85 -0.62 -2.27 115.31 120.91 1o85 h LEU 50 Ca 0.20 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1o85 h LEU 50 Cb 0.34 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1o85 h LEU 50 CO -0.00 0.93 0.26 0.40 -0.34 0.00 0.00 178.44 179.68 1o85 h ILE 51 N 0.79 1.22 -0.08 4.05 2.04 -0.81 0.60 117.51 125.32 1o85 h ILE 51 Ca 0.14 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1o85 h ILE 51 Cb 0.53 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1o85 h ILE 51 CO 0.03 0.26 0.04 -0.08 0.00 0.00 0.00 178.15 178.39 1o85 h GLU 52 N 0.80 0.08 -0.50 2.37 4.81 -1.19 0.83 114.58 121.78 1o85 h GLU 52 Ca 0.20 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1o85 h GLU 52 Cb 0.16 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1o85 h GLU 52 CO -0.02 0.05 0.31 0.35 -0.73 0.00 0.00 179.01 178.98 1o85 h PHE 53 N 0.08 0.59 -0.31 0.92 3.57 -1.20 -2.11 116.94 118.48 1o85 h PHE 53 Ca 0.03 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1o85 h PHE 53 Cb 0.01 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 1o85 h PHE 53 CO -0.09 0.36 0.18 -0.92 -2.23 0.00 0.00 178.31 175.61 1o85 h TYR 54 N 0.64 0.41 -0.68 0.41 3.20 -0.59 -0.42 116.97 119.94 1o85 h TYR 54 Ca 0.19 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 1o85 h TYR 54 Cb -0.03 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 1o85 h TYR 54 CO -0.05 0.31 0.31 -0.44 -1.64 0.00 0.00 178.16 176.64 1o85 h ASP 55 N 0.39 0.88 -0.24 -2.11 3.32 -0.66 -0.20 116.42 117.81 1o85 h ASP 55 Ca 0.11 -0.10 -0.17 0.00 0.02 0.00 0.00 57.03 56.89 1o85 h ASP 55 Cb 0.02 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.35 1o85 h ASP 55 CO -0.02 0.76 -0.49 0.11 -1.72 0.00 0.00 179.24 177.88 1o85 h LYS 56 N 0.96 0.76 0.00 3.56 1.57 -1.18 -3.41 116.57 118.84 1o85 h LYS 56 Ca 0.23 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1o85 h LYS 56 Cb 0.13 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1o85 h LYS 56 CO -0.03 1.12 0.00 1.19 -0.57 0.00 0.00 179.45 181.16 1o85 n PHE 57 N -4.11 0.00 -0.13 -1.35 0.99 -0.18 -4.72 117.46 107.96 1o85 n PHE 57 Ca -0.05 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.43 1o85 n PHE 57 Cb 0.59 0.00 0.33 0.00 -1.00 0.00 0.00 39.48 39.41 1o85 n PHE 57 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.76 177.88 1o85 h HIS 58 N 0.00 0.75 0.02 1.38 2.07 -1.19 0.46 115.15 118.64 1o85 h HIS 58 Ca 0.00 0.02 -0.00 0.00 -2.85 0.00 0.00 60.37 57.54 1o85 h HIS 58 Cb 0.06 -0.25 0.00 0.00 2.57 0.00 0.00 27.41 29.79 1o85 h HIS 58 CO 0.00 0.46 -0.01 0.93 -3.07 0.00 0.00 177.93 176.24 1o85 h GLU 59 N 0.80 -0.03 0.00 5.12 5.08 -1.83 -0.80 114.58 122.93 1o85 h GLU 59 Ca 0.24 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.51 1o85 h GLU 59 Cb -0.03 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1o85 h GLU 59 CO -0.06 0.72 -0.41 0.66 -1.00 0.00 0.00 179.01 178.92 1o85 h SER 60 N -0.90 0.00 -0.26 1.42 4.64 -1.79 -2.50 113.55 114.17 1o85 h SER 60 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1o85 h SER 60 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1o85 h SER 60 CO 0.00 0.41 0.00 0.29 -0.87 0.00 0.00 176.83 176.67 1o85 n LYS 61 N -3.98 2.05 -3.56 4.77 5.02 0.13 -5.02 118.16 117.58 1o85 n LYS 61 Ca -0.02 -1.91 -0.27 0.00 -2.02 0.00 0.00 58.31 54.10 1o85 n LYS 61 Cb 0.45 -1.37 0.05 0.00 -0.02 0.00 0.00 35.03 34.14 1o85 n LYS 61 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1o85 n ASN 62 N 1.01 -5.72 -4.28 4.39 4.05 -0.92 -4.85 115.26 108.94 1o85 n ASN 62 Ca 0.14 -0.93 -0.15 0.00 0.45 0.00 0.00 54.58 54.09 1o85 n ASN 62 Cb 0.47 -3.87 -0.10 0.00 1.23 0.00 0.00 39.78 37.51 1o85 n ASN 62 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 177.26 174.93 1o85 s PHE 63 N -3.43 1.37 0.10 1.20 -0.12 -0.35 -2.18 117.98 114.56 1o85 s PHE 63 Ca 0.46 -1.11 0.04 0.00 -0.05 0.00 0.00 56.93 56.27 1o85 s PHE 63 Cb -0.14 -0.79 -0.04 0.00 -0.63 0.00 0.00 43.02 41.43 1o85 s PHE 63 CO 0.83 -0.29 -0.10 -2.00 -0.05 0.00 0.00 175.22 173.61 1o85 s GLU 64 N -3.98 0.84 -0.08 1.99 2.56 -0.01 -4.67 118.70 115.34 1o85 s GLU 64 Ca 0.31 -1.16 0.03 0.00 0.00 0.00 0.00 54.97 54.16 1o85 s GLU 64 Cb 0.07 -0.52 -0.01 0.00 2.00 0.00 0.00 34.13 35.66 1o85 s GLU 64 CO 0.09 0.08 -0.19 0.08 -0.56 0.00 0.00 175.26 174.76 1o85 s VAL 65 N -2.46 2.61 -0.27 3.70 1.01 -1.26 -0.52 120.40 123.21 1o85 s VAL 65 Ca 0.05 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.21 1o85 s VAL 65 Cb -0.03 -2.03 0.07 0.00 0.00 0.00 0.00 36.38 34.40 1o85 s VAL 65 CO -0.00 0.56 -0.06 -0.69 0.00 0.00 0.00 175.10 174.90 1o85 s VAL 66 N -0.07 2.07 0.06 2.92 1.01 0.92 -1.63 120.40 125.67 1o85 s VAL 66 Ca -0.04 -1.72 -0.31 0.00 0.00 0.00 0.00 61.98 59.92 1o85 s VAL 66 Cb -0.14 -2.28 -0.07 0.00 0.00 0.00 0.00 36.38 33.89 1o85 s VAL 66 CO 0.04 -0.17 1.54 0.12 0.00 0.00 0.00 175.10 176.63 1o85 s PHE 67 N 1.12 2.68 -0.37 5.22 5.36 0.88 -0.78 117.98 132.09 1o85 s PHE 67 Ca -0.04 0.56 0.02 0.00 -0.96 0.00 0.00 56.93 56.51 1o85 s PHE 67 Cb -0.20 -3.84 0.10 0.00 -0.34 0.00 0.00 43.02 38.75 1o85 s PHE 67 CO -0.06 -3.25 0.10 0.00 -1.46 0.00 0.00 175.22 170.55 1o85 s THR 69 N 0.97 3.53 -1.13 0.00 -1.32 -1.26 -3.10 115.64 113.32 1o85 s THR 69 Ca 0.10 1.37 0.15 0.00 -1.21 0.00 0.00 61.69 62.10 1o85 s THR 69 Cb -0.20 -3.81 0.46 0.00 -1.51 0.00 0.00 72.50 67.44 1o85 s THR 69 CO -0.07 0.20 1.39 0.79 -2.21 0.00 0.00 174.62 174.72 1o85 n TRP 70 N 0.61 0.76 -2.47 9.09 7.02 -0.31 -4.88 117.44 127.26 1o85 n TRP 70 Ca 0.02 -0.55 -0.40 0.00 -1.02 0.00 0.00 57.50 55.54 1o85 n TRP 70 Cb 0.47 -0.07 -0.04 0.00 -2.42 0.00 0.00 31.31 29.24 1o85 n TRP 70 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1o85 s ASP 71 N -1.08 7.26 0.00 -0.99 1.01 -1.26 -4.94 116.67 116.67 1o85 s ASP 71 Ca 0.35 2.25 0.12 0.00 0.71 0.00 0.00 52.55 55.97 1o85 s ASP 71 Cb 0.20 -2.62 0.07 0.00 1.01 0.00 0.00 42.92 41.58 1o85 s ASP 71 CO 0.20 -0.16 0.83 -0.62 0.21 0.00 0.00 175.17 175.63 1o85 n GLU 72 N 1.40 0.97 -3.31 8.23 1.02 -1.26 -4.87 120.64 122.82 1o85 n GLU 72 Ca -0.00 -1.07 -0.41 0.00 -0.02 0.00 0.00 57.16 55.66 1o85 n GLU 72 Cb 0.45 -1.20 -0.08 0.00 -0.02 0.00 0.00 31.44 30.58 1o85 n GLU 72 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1o85 s GLU 73 N -1.10 3.66 0.10 3.49 2.02 -1.26 -4.98 118.70 120.64 1o85 s GLU 73 Ca 0.13 -0.20 -0.21 0.00 0.02 0.00 0.00 54.97 54.71 1o85 s GLU 73 Cb 0.10 -3.78 -0.09 0.00 0.10 0.00 0.00 34.13 30.45 1o85 s GLU 73 CO 0.18 -0.55 1.71 1.49 0.02 0.00 0.00 175.26 178.10 1o85 h GLU 74 N 8.41 0.22 0.00 1.61 4.81 -2.00 -3.10 114.58 124.53 1o85 h GLU 74 Ca -0.29 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1o85 h GLU 74 Cb 1.14 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1o85 h GLU 74 CO 0.73 0.21 0.00 -0.25 -0.73 0.00 0.00 179.01 178.97 1o85 n ASP 75 N -4.93 0.32 0.12 1.04 8.00 -1.26 -0.73 116.55 119.10 1o85 n ASP 75 Ca -0.04 0.59 0.12 0.00 0.71 0.00 0.00 54.79 56.16 1o85 n ASP 75 Cb 0.07 -0.65 0.04 0.00 -0.02 0.00 0.00 41.12 40.55 1o85 n ASP 75 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1o85 h GLY 76 N 1.98 0.00 0.36 0.44 0.00 -1.97 -3.41 103.07 100.47 1o85 h GLY 76 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1o85 h GLY 76 CO 0.00 0.00 -0.38 -2.75 0.00 0.00 0.00 176.54 173.41 1o85 h PHE 77 N 0.00 -1.04 -0.82 5.60 3.57 -0.96 -1.26 116.94 122.02 1o85 h PHE 77 Ca 0.00 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.67 1o85 h PHE 77 Cb 0.97 0.44 -0.15 0.00 2.79 0.00 0.00 35.95 40.01 1o85 h PHE 77 CO 0.00 -0.48 -0.30 0.00 -2.23 0.00 0.00 178.31 175.29 1o85 h ALA 78 N -0.07 0.26 -0.68 2.41 0.00 -1.78 -1.05 119.26 118.35 1o85 h ALA 78 Ca 0.02 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1o85 h ALA 78 Cb 0.64 0.80 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 1o85 h ALA 78 CO -0.21 -0.55 0.34 0.78 0.00 0.00 0.00 179.25 179.61 1o85 h GLY 79 N -0.05 1.05 0.58 0.00 0.00 -1.52 0.16 103.07 103.29 1o85 h GLY 79 Ca 0.34 -0.51 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 1o85 h GLY 79 CO -0.86 0.49 -0.46 -1.82 0.00 0.00 0.00 176.54 173.89 1o85 h TYR 80 N 0.95 0.41 -0.02 5.60 3.20 -0.63 -3.22 116.97 123.25 1o85 h TYR 80 Ca 0.24 -0.24 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 1o85 h TYR 80 Cb 0.11 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1o85 h TYR 80 CO 0.00 1.09 -0.29 0.35 -1.64 0.00 0.00 178.16 177.67 1o85 h PHE 81 N -0.38 0.04 -0.07 -3.82 3.57 -1.21 -2.92 116.94 112.15 1o85 h PHE 81 Ca -0.07 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.45 1o85 h PHE 81 Cb 1.24 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.96 1o85 h PHE 81 CO 0.18 0.33 0.06 0.00 -2.23 0.00 0.00 178.31 176.65 1o85 h ALA 82 N 1.67 1.85 -0.01 2.41 0.00 -0.69 -0.40 119.26 124.08 1o85 h ALA 82 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1o85 h ALA 82 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1o85 h ALA 82 CO 0.04 -0.09 0.00 1.63 0.00 0.00 0.00 179.25 180.83 1o85 n LYS 83 N -4.19 1.26 -4.23 0.00 5.02 -1.10 -4.86 118.16 110.06 1o85 n LYS 83 Ca -0.01 -0.38 -0.31 0.00 -2.02 0.00 0.00 58.31 55.59 1o85 n LYS 83 Cb 0.16 -1.47 -0.09 0.00 -0.02 0.00 0.00 35.03 33.61 1o85 n LYS 83 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1o85 s MET 84 N -1.99 2.42 0.00 1.97 -1.94 -0.16 -5.04 119.30 114.56 1o85 s MET 84 Ca 0.42 -0.86 0.26 0.00 -1.71 0.00 0.00 55.69 53.79 1o85 s MET 84 Cb 0.21 -2.46 0.67 0.00 2.01 0.00 0.00 34.83 35.25 1o85 s MET 84 CO 0.34 0.55 1.52 -0.35 -0.01 0.00 0.00 175.02 177.06 1o85 n PRO 85 N 0.84 1.29 0.00 2.03 -0.04 -1.26 -4.88 135.00 132.99 1o85 n PRO 85 Ca -0.13 -0.86 0.00 0.00 -0.04 0.00 0.00 63.50 62.48 1o85 n PRO 85 Cb 0.52 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1o85 n PRO 85 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1o85 n TRP 86 N -0.10 0.00 -3.10 0.54 2.14 -1.26 -4.91 117.44 110.75 1o85 n TRP 86 Ca 0.14 0.00 -0.19 0.00 2.07 0.00 0.00 57.50 59.52 1o85 n TRP 86 Cb 0.39 0.00 0.01 0.00 -0.81 0.00 0.00 31.31 30.90 1o85 n TRP 86 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1o85 s LEU 87 N 0.00 3.70 -0.05 5.67 1.43 -0.64 -4.41 118.68 124.38 1o85 s LEU 87 Ca 0.00 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 52.75 1o85 s LEU 87 Cb 0.00 -2.76 0.02 0.00 0.03 0.00 0.00 46.19 43.48 1o85 s LEU 87 CO 0.00 -0.71 0.27 0.00 0.23 0.00 0.00 176.35 176.14 1o85 s ALA 88 N -2.37 -0.66 0.17 4.21 0.00 -0.30 -0.08 121.76 122.72 1o85 s ALA 88 Ca 0.52 0.46 -0.31 0.00 0.00 0.00 0.00 51.96 52.62 1o85 s ALA 88 Cb -0.10 -0.16 -0.09 0.00 0.00 0.00 0.00 23.12 22.76 1o85 s ALA 88 CO 0.34 -0.19 1.49 0.08 0.00 0.00 0.00 175.76 177.47 1o85 s VAL 89 N -0.67 2.82 0.43 0.00 1.01 -0.64 -0.26 120.40 123.11 1o85 s VAL 89 Ca -0.08 0.61 -0.26 0.00 0.00 0.00 0.00 61.98 62.25 1o85 s VAL 89 Cb -0.04 -3.39 -0.09 0.00 0.00 0.00 0.00 36.38 32.86 1o85 s VAL 89 CO 0.02 0.06 1.46 -2.84 0.00 0.00 0.00 175.10 173.80 1o85 s PRO 90 N 0.80 3.79 0.47 2.72 0.02 -1.26 -4.84 135.00 136.70 1o85 s PRO 90 Ca 0.66 2.50 0.27 0.00 0.02 0.00 0.00 61.00 64.45 1o85 s PRO 90 Cb -0.41 -2.74 1.33 0.00 0.02 0.00 0.00 34.50 32.69 1o85 s PRO 90 CO 0.33 -0.76 1.81 0.35 -0.33 0.00 0.00 177.00 178.40 1o85 h PHE 91 N 2.50 0.31 0.00 6.54 3.57 -1.99 0.10 116.94 127.97 1o85 h PHE 91 Ca -0.51 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.00 1o85 h PHE 91 Cb 1.26 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.91 1o85 h PHE 91 CO 0.51 0.03 0.00 0.00 -2.23 0.00 0.00 178.31 176.62 1o85 n ALA 92 N -2.62 1.87 -1.22 2.41 0.00 -1.26 -2.38 120.51 117.30 1o85 n ALA 92 Ca 0.24 -0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.56 1o85 n ALA 92 Cb 1.02 -1.35 0.23 0.00 0.00 0.00 0.00 19.45 19.36 1o85 n ALA 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1o85 n GLN 93 N -1.76 2.61 -0.28 0.00 3.00 0.35 -4.64 117.38 116.66 1o85 n GLN 93 Ca 0.04 -3.07 0.07 0.00 -0.01 0.00 0.00 57.00 54.03 1o85 n GLN 93 Cb 0.25 -2.04 0.30 0.00 0.00 0.00 0.00 30.24 28.74 1o85 n GLN 93 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.06 177.83 1o85 h SER 94 N 1.55 0.79 -0.87 1.08 0.02 -1.56 -0.80 113.55 113.76 1o85 h SER 94 Ca 0.34 0.02 0.16 0.00 -0.84 0.00 0.00 61.79 61.47 1o85 h SER 94 Cb 2.20 -0.14 -0.10 0.00 0.14 0.00 0.00 62.40 64.50 1o85 h SER 94 CO 0.69 0.47 0.44 -0.33 -1.14 0.00 0.00 176.83 176.96 1o85 h GLU 95 N 0.88 0.58 -0.80 3.45 5.08 -1.88 0.56 114.58 122.45 1o85 h GLU 95 Ca 0.41 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.70 1o85 h GLU 95 Cb 0.42 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1o85 h GLU 95 CO -0.18 0.38 0.34 0.00 -1.00 0.00 0.00 179.01 178.56 1o85 h ALA 96 N 1.59 1.04 -0.47 3.43 0.00 -1.52 -1.37 119.26 121.96 1o85 h ALA 96 Ca 0.49 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1o85 h ALA 96 Cb 0.74 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1o85 h ALA 96 CO -0.39 0.65 0.16 0.28 0.00 0.00 0.00 179.25 179.95 1o85 h VAL 97 N 1.16 1.22 -0.53 0.00 2.07 -0.89 -0.92 116.25 118.37 1o85 h VAL 97 Ca 0.27 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 67.09 1o85 h VAL 97 Cb 0.18 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1o85 h VAL 97 CO -0.03 0.26 0.32 1.56 0.02 0.00 0.00 177.57 179.71 1o85 h GLN 98 N 0.63 0.63 -0.29 1.57 4.20 -0.70 0.11 115.11 121.26 1o85 h GLN 98 Ca 0.15 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.73 1o85 h GLN 98 Cb 0.25 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1o85 h GLN 98 CO -0.01 0.41 -0.22 0.87 -0.67 0.00 0.00 178.83 179.22 1o85 h LYS 99 N 0.65 0.55 -0.34 1.46 1.57 -1.03 -1.64 116.57 117.77 1o85 h LYS 99 Ca 0.21 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 1o85 h LYS 99 Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1o85 h LYS 99 CO -0.08 0.73 -0.23 1.25 -0.57 0.00 0.00 179.45 180.54 1o85 h LEU 100 N 0.49 0.80 -1.12 2.94 5.85 -0.83 0.33 115.31 123.76 1o85 h LEU 100 Ca 0.08 -0.43 0.08 0.00 0.84 0.00 0.00 57.88 58.44 1o85 h LEU 100 Cb 0.64 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 1o85 h LEU 100 CO 0.05 1.06 0.60 0.28 -0.34 0.00 0.00 178.44 180.09 1o85 h SER 101 N 0.54 0.90 -0.25 1.25 0.02 -0.52 -1.29 113.55 114.21 1o85 h SER 101 Ca 0.07 0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.87 1o85 h SER 101 Cb 0.79 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1o85 h SER 101 CO 0.06 0.56 -0.49 0.50 -1.14 0.00 0.00 176.83 176.32 1o85 h LYS 102 N 1.01 0.77 -0.91 3.45 3.64 -0.83 0.14 116.57 123.85 1o85 h LYS 102 Ca 0.41 -0.50 0.07 0.00 -1.27 0.00 0.00 60.65 59.36 1o85 h LYS 102 Cb 0.28 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.10 1o85 h LYS 102 CO -0.17 1.12 0.57 1.25 -2.27 0.00 0.00 179.45 179.95 1o85 h HIS 103 N 0.51 1.05 -0.44 1.91 2.76 -0.42 -1.00 115.15 119.53 1o85 h HIS 103 Ca 0.01 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1o85 h HIS 103 Cb 1.10 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.72 1o85 h HIS 103 CO 0.08 0.53 0.00 1.19 -1.30 0.00 0.00 177.93 178.43 1o85 n PHE 104 N -4.59 0.60 -4.02 5.26 3.01 -0.53 -4.94 117.46 112.25 1o85 n PHE 104 Ca 0.14 -0.29 -0.28 0.00 1.01 0.00 0.00 57.45 58.02 1o85 n PHE 104 Cb 0.19 -0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 39.64 1o85 n PHE 104 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1o85 n ASN 105 N 0.77 -1.45 -4.61 4.37 5.15 -0.38 -4.89 115.26 114.22 1o85 n ASN 105 Ca 0.15 -0.99 -0.43 0.00 -0.60 0.00 0.00 54.58 52.71 1o85 n ASN 105 Cb 0.38 -3.06 -0.02 0.00 -0.53 0.00 0.00 39.78 36.54 1o85 n ASN 105 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1o85 s VAL 106 N -3.73 4.07 -0.06 3.44 1.01 -0.02 -4.83 120.40 120.28 1o85 s VAL 106 Ca 0.24 1.13 0.16 0.00 0.00 0.00 0.00 61.98 63.51 1o85 s VAL 106 Cb -0.13 -4.33 -0.24 0.00 0.00 0.00 0.00 36.38 31.69 1o85 s VAL 106 CO 0.89 -0.76 0.27 -0.62 0.00 0.00 0.00 175.10 174.88 1o85 n GLU 107 N 7.79 0.81 -4.10 2.72 1.02 -1.26 -4.82 120.64 122.79 1o85 n GLU 107 Ca 0.15 -0.11 -0.07 0.00 -0.02 0.00 0.00 57.16 57.10 1o85 n GLU 107 Cb 0.48 -1.40 -0.10 0.00 -0.02 0.00 0.00 31.44 30.40 1o85 n GLU 107 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1o85 s SER 108 N -4.22 0.57 0.16 1.62 1.04 -1.26 -5.16 113.70 106.44 1o85 s SER 108 Ca -0.07 -1.00 0.11 0.00 0.48 0.00 0.00 55.95 55.47 1o85 s SER 108 Cb 0.09 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 1o85 s SER 108 CO 0.67 -0.58 -0.26 0.27 0.98 0.00 0.00 173.24 174.32 1o85 s ILE 109 N -3.88 2.29 0.46 -1.02 -4.36 -1.26 -4.27 121.20 109.15 1o85 s ILE 109 Ca 0.08 -1.87 -0.21 0.00 -0.26 0.00 0.00 60.65 58.39 1o85 s ILE 109 Cb 0.08 -2.05 -0.09 0.00 1.25 0.00 0.00 42.46 41.65 1o85 s ILE 109 CO -0.09 0.01 1.01 -2.16 0.24 0.00 0.00 174.94 173.94 1o85 s PRO 110 N -2.30 4.00 -0.00 0.37 0.04 -1.26 -4.69 135.00 131.15 1o85 s PRO 110 Ca 0.17 1.29 -0.01 0.00 0.04 0.00 0.00 61.00 62.49 1o85 s PRO 110 Cb -0.09 -2.18 -0.00 0.00 0.04 0.00 0.00 34.50 32.26 1o85 s PRO 110 CO 0.07 -0.25 0.02 0.99 0.04 0.00 0.00 177.00 177.87 1o85 s THR 111 N -2.01 0.04 -0.11 1.26 2.01 -0.88 -4.95 115.64 111.01 1o85 s THR 111 Ca 0.64 -0.35 -0.02 0.00 0.31 0.00 0.00 61.69 62.28 1o85 s THR 111 Cb -0.14 -0.15 0.04 0.00 0.01 0.00 0.00 72.50 72.25 1o85 s THR 111 CO 0.18 -0.19 0.01 -0.22 -0.69 0.00 0.00 174.62 173.72 1o85 s LEU 112 N -0.57 0.74 -0.13 4.42 2.96 -1.26 -0.90 118.68 123.94 1o85 s LEU 112 Ca -0.06 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 1o85 s LEU 112 Cb -0.04 -0.47 0.01 0.00 0.50 0.00 0.00 46.19 46.19 1o85 s LEU 112 CO -0.00 -0.23 -0.20 -0.63 -1.32 0.00 0.00 176.35 173.97 1o85 s ILE 113 N 1.95 1.85 -0.17 6.68 -1.09 -0.59 -2.60 121.20 127.23 1o85 s ILE 113 Ca 0.03 -0.86 -0.06 0.00 -2.23 0.00 0.00 60.65 57.54 1o85 s ILE 113 Cb -0.14 -1.65 -0.04 0.00 -1.58 0.00 0.00 42.46 39.05 1o85 s ILE 113 CO -0.06 0.51 0.03 -0.83 -1.23 0.00 0.00 174.94 173.36 1o85 s GLY 114 N 0.88 1.85 0.14 6.18 0.00 0.52 -0.32 107.32 116.57 1o85 s GLY 114 Ca -0.07 -0.77 0.07 0.00 0.00 0.00 0.00 44.72 43.95 1o85 s GLY 114 CO -0.02 -0.04 -0.16 -1.34 0.00 0.00 0.00 173.10 171.55 1o85 s VAL 115 N 0.24 1.52 -0.13 1.40 -7.23 0.20 -0.64 120.40 115.76 1o85 s VAL 115 Ca 0.02 -1.79 -0.28 0.00 -1.81 0.00 0.00 61.98 58.12 1o85 s VAL 115 Cb -0.13 -1.65 -0.01 0.00 0.56 0.00 0.00 36.38 35.14 1o85 s VAL 115 CO 0.01 -0.38 0.94 -0.62 -0.31 0.00 0.00 175.10 174.74 1o85 s ASP 116 N -2.53 7.13 0.23 4.85 2.15 -0.02 -0.44 116.67 128.03 1o85 s ASP 116 Ca 0.12 1.39 -0.06 0.00 0.43 0.00 0.00 52.55 54.42 1o85 s ASP 116 Cb -0.05 -2.51 0.22 0.00 -0.30 0.00 0.00 42.92 40.27 1o85 s ASP 116 CO 0.04 -0.43 1.80 0.00 -0.17 0.00 0.00 175.17 176.41 1o85 h ALA 117 N 7.18 1.10 -0.04 3.66 0.00 -1.63 0.26 119.26 129.78 1o85 h ALA 117 Ca -0.30 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.26 1o85 h ALA 117 Cb 1.14 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1o85 h ALA 117 CO 0.85 0.64 -0.61 -0.44 0.00 0.00 0.00 179.25 179.70 1o85 h ASP 118 N 1.11 0.61 0.75 0.00 3.32 -1.89 -2.92 116.42 117.40 1o85 h ASP 118 Ca 0.26 -0.71 -0.08 0.00 0.02 0.00 0.00 57.03 56.52 1o85 h ASP 118 Cb 0.21 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1o85 h ASP 118 CO -0.02 1.23 -1.31 -1.54 -1.72 0.00 0.00 179.24 175.87 1o85 n SER 119 N -4.19 0.74 0.00 6.45 3.41 -1.23 -3.29 113.62 115.52 1o85 n SER 119 Ca -0.09 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1o85 n SER 119 Cb 0.66 0.50 0.00 0.00 -0.26 0.00 0.00 64.21 65.11 1o85 n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1o85 n GLY 120 N 1.29 1.18 3.77 5.00 0.00 0.90 -4.79 105.19 112.55 1o85 n GLY 120 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1o85 n GLY 120 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1o85 s ASP 121 N -3.08 6.68 0.05 1.61 1.01 -1.24 -4.64 116.67 117.06 1o85 s ASP 121 Ca 0.00 2.75 -0.31 0.00 0.71 0.00 0.00 52.55 55.71 1o85 s ASP 121 Cb 0.00 -2.65 -0.06 0.00 1.01 0.00 0.00 42.92 41.22 1o85 s ASP 121 CO 0.00 -0.62 1.38 -0.69 0.21 0.00 0.00 175.17 175.45 1o85 s VAL 122 N -0.99 3.59 -0.25 -1.27 1.01 -1.26 -0.84 120.40 120.39 1o85 s VAL 122 Ca 0.51 1.07 -0.16 0.00 0.00 0.00 0.00 61.98 63.40 1o85 s VAL 122 Cb -0.41 -3.69 -0.12 0.00 0.00 0.00 0.00 36.38 32.16 1o85 s VAL 122 CO 0.54 0.04 -0.26 0.52 0.00 0.00 0.00 175.10 175.94 1o85 n VAL 123 N 4.33 1.53 -3.79 2.92 0.31 0.19 -4.92 118.33 118.91 1o85 n VAL 123 Ca 0.12 -0.26 -0.13 0.00 -0.01 0.00 0.00 64.34 64.06 1o85 n VAL 123 Cb 0.43 -1.97 -0.11 0.00 -0.91 0.00 0.00 33.84 31.29 1o85 n VAL 123 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1o85 s THR 124 N -2.52 0.01 -0.75 2.52 -1.32 -0.94 -1.37 115.64 111.28 1o85 s THR 124 Ca -0.36 -0.10 0.07 0.00 -1.21 0.00 0.00 61.69 60.09 1o85 s THR 124 Cb 0.12 -0.40 0.09 0.00 -1.51 0.00 0.00 72.50 70.80 1o85 s THR 124 CO 0.49 -0.06 0.85 0.35 -2.21 0.00 0.00 174.62 174.05 1o85 n THR 125 N 2.66 0.31 -1.49 5.08 -2.24 -1.26 -0.35 114.28 116.97 1o85 n THR 125 Ca -0.14 -0.66 0.07 0.00 -2.27 0.00 0.00 64.05 61.05 1o85 n THR 125 Cb 0.58 0.94 0.14 0.00 -2.10 0.00 0.00 70.33 69.89 1o85 n THR 125 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1o85 n ARG 126 N 0.29 1.15 0.24 -0.78 1.74 -1.26 -4.70 116.66 113.35 1o85 n ARG 126 Ca 0.05 -2.64 0.11 0.00 -0.77 0.00 0.00 57.85 54.60 1o85 n ARG 126 Cb 0.23 -1.31 0.55 0.00 -1.02 0.00 0.00 32.46 30.91 1o85 n ARG 126 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1o85 h ALA 127 N 0.47 1.08 -0.75 7.54 0.00 -1.78 -1.23 119.26 124.60 1o85 h ALA 127 Ca -0.02 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1o85 h ALA 127 Cb 1.12 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1o85 h ALA 127 CO 0.01 0.23 0.28 -0.09 0.00 0.00 0.00 179.25 179.67 1o85 h ARG 128 N 0.00 1.14 -0.07 0.00 1.12 -1.87 0.05 114.38 114.75 1o85 h ARG 128 Ca -0.00 -0.22 -0.24 0.00 -1.11 0.00 0.00 59.98 58.41 1o85 h ARG 128 Cb 0.62 -0.18 0.01 0.00 -0.01 0.00 0.00 29.97 30.42 1o85 h ARG 128 CO 0.02 0.94 -0.91 0.00 -3.11 0.00 0.00 179.97 176.92 1o85 h ALA 129 N 1.14 0.25 0.07 2.80 0.00 -1.69 -3.31 119.26 118.52 1o85 h ALA 129 Ca 0.25 -0.65 -0.24 0.00 0.00 0.00 0.00 54.91 54.26 1o85 h ALA 129 Cb 0.25 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1o85 h ALA 129 CO -0.02 0.70 -1.09 1.79 0.00 0.00 0.00 179.25 180.63 1o85 h THR 130 N 0.44 1.55 -0.88 0.00 1.35 -1.15 -3.27 112.91 110.94 1o85 h THR 130 Ca -0.09 -3.03 0.00 0.00 -0.55 0.00 0.00 66.41 62.74 1o85 h THR 130 Cb 1.55 2.80 -0.04 0.00 -1.73 0.00 0.00 68.15 70.72 1o85 h THR 130 CO 0.18 0.88 0.55 0.25 -0.25 0.00 0.00 175.52 177.13 1o85 h LEU 131 N 0.07 1.04 -1.43 3.87 5.85 -1.10 -1.55 115.31 122.07 1o85 h LEU 131 Ca -0.08 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 1o85 h LEU 131 Cb 1.81 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 1o85 h LEU 131 CO 0.17 0.78 -0.26 -0.37 -0.34 0.00 0.00 178.44 178.43 1o85 h VAL 132 N 1.21 0.85 -0.00 1.05 -1.51 -1.64 -1.98 116.25 114.23 1o85 h VAL 132 Ca 0.32 -1.02 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 1o85 h VAL 132 Cb -0.08 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.69 1o85 h VAL 132 CO -0.06 0.25 -0.33 0.29 -1.23 0.00 0.00 177.57 176.49 1o85 n LYS 133 N -3.74 0.55 -3.18 5.19 5.02 -0.99 -4.52 118.16 116.49 1o85 n LYS 133 Ca -0.01 -0.32 -0.21 0.00 -2.02 0.00 0.00 58.31 55.75 1o85 n LYS 133 Cb 0.36 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.83 1o85 n LYS 133 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1o85 n ASP 134 N -0.94 1.02 0.30 4.39 2.03 -0.62 -4.96 116.55 117.77 1o85 n ASP 134 Ca 0.10 -2.98 0.18 0.00 0.52 0.00 0.00 54.79 52.61 1o85 n ASP 134 Cb 0.34 -0.62 0.93 0.00 -0.72 0.00 0.00 41.12 41.05 1o85 n ASP 134 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1o85 h PRO 135 N 3.38 0.00 -0.13 -0.67 0.13 -1.77 -0.97 132.00 131.97 1o85 h PRO 135 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1o85 h PRO 135 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1o85 h PRO 135 CO 0.53 0.04 0.00 0.39 -0.23 0.00 0.00 178.00 178.72 1o85 n GLU 136 N -3.35 1.95 -3.35 0.86 -0.58 -1.26 -4.86 120.64 110.06 1o85 n GLU 136 Ca -0.02 -1.41 -0.23 0.00 -0.42 0.00 0.00 57.16 55.08 1o85 n GLU 136 Cb 0.17 -1.45 0.06 0.00 -0.57 0.00 0.00 31.44 29.65 1o85 n GLU 136 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1o85 n GLY 137 N 1.25 -0.53 0.21 0.62 0.00 -0.37 -4.89 105.19 101.49 1o85 n GLY 137 Ca 0.17 0.20 0.07 0.00 0.00 0.00 0.00 46.02 46.46 1o85 n GLY 137 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1o85 h GLU 138 N -2.15 0.00 -0.32 1.61 5.08 -1.93 -2.71 114.58 114.16 1o85 h GLU 138 Ca -0.55 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1o85 h GLU 138 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1o85 h GLU 138 CO 0.56 0.29 0.00 1.04 -1.00 0.00 0.00 179.01 179.90 1o85 n GLN 139 N -3.74 2.88 -1.65 2.33 3.00 -1.26 -5.02 117.38 113.92 1o85 n GLN 139 Ca -0.01 -2.15 -0.41 0.00 -0.01 0.00 0.00 57.00 54.42 1o85 n GLN 139 Cb 0.39 -1.34 0.01 0.00 0.00 0.00 0.00 30.24 29.30 1o85 n GLN 139 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1o85 n PHE 140 N 0.34 1.60 -0.38 1.08 7.35 -1.03 -0.89 117.46 125.53 1o85 n PHE 140 Ca 0.13 0.54 -0.14 0.00 -0.76 0.00 0.00 57.45 57.22 1o85 n PHE 140 Cb 0.49 -2.29 0.12 0.00 0.35 0.00 0.00 39.48 38.15 1o85 n PHE 140 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1o85 n PRO 141 N 0.11 1.91 -3.59 -7.13 -0.04 -1.26 -4.95 135.00 120.06 1o85 n PRO 141 Ca 0.08 -1.89 -0.21 0.00 -0.04 0.00 0.00 63.50 61.44 1o85 n PRO 141 Cb 0.39 -1.76 0.07 0.00 -0.04 0.00 0.00 33.50 32.16 1o85 n PRO 141 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1o85 n TRP 142 N -0.46 -2.28 -1.61 0.54 8.01 -0.07 -4.59 117.44 116.98 1o85 n TRP 142 Ca 0.36 0.93 -0.49 0.00 -1.31 0.00 0.00 57.50 56.99 1o85 n TRP 142 Cb 1.21 -4.79 -0.04 0.00 -2.01 0.00 0.00 31.31 25.68 1o85 n TRP 142 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1o85 n LYS 143 N -4.41 1.43 -1.59 -0.99 5.02 -1.26 -4.64 118.16 111.72 1o85 n LYS 143 Ca -0.20 0.51 -0.35 0.00 -2.02 0.00 0.00 58.31 56.25 1o85 n LYS 143 Cb 0.63 -2.11 0.08 0.00 -0.02 0.00 0.00 35.03 33.61 1o85 n LYS 143 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1o85 s ASP 144 N 0.30 4.42 0.00 4.39 -0.00 -0.47 -4.98 116.67 120.32 1o85 s ASP 144 Ca 0.76 2.45 0.07 0.00 -0.00 0.00 0.00 52.55 55.83 1o85 s ASP 144 Cb -0.82 -2.60 0.42 0.00 -0.00 0.00 0.00 42.92 39.91 1o85 s ASP 144 CO 0.48 -2.12 0.88 0.00 -0.00 0.00 0.00 175.17 174.41