#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vch s GLU 2 N 0.00 4.31 0.34 3.17 2.12 -1.26 -5.06 118.70 122.31 1vch s GLU 2 Ca 0.00 0.69 0.09 0.00 0.36 0.00 0.00 54.97 56.11 1vch s GLU 2 Cb 0.00 -3.36 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 1vch s GLU 2 CO 0.00 0.34 0.01 0.95 -0.54 0.00 0.00 175.26 176.02 1vch s THR 3 N -0.06 2.63 -0.03 -1.70 -4.23 -1.26 -4.02 115.64 106.96 1vch s THR 3 Ca 0.30 -1.98 0.03 0.00 -1.18 0.00 0.00 61.69 58.87 1vch s THR 3 Cb -0.18 -2.79 -0.00 0.00 1.34 0.00 0.00 72.50 70.87 1vch s THR 3 CO 0.16 -0.20 -0.13 -0.47 -0.54 0.00 0.00 174.62 173.44 1vch s TYR 4 N -2.52 1.24 -0.17 3.99 5.04 0.12 -4.88 117.35 120.17 1vch s TYR 4 Ca 0.35 -0.31 -0.29 0.00 -2.44 0.00 0.00 57.07 54.37 1vch s TYR 4 Cb -0.00 -0.85 -0.00 0.00 0.35 0.00 0.00 41.96 41.46 1vch s TYR 4 CO 0.19 -0.10 1.04 -1.25 -1.34 0.00 0.00 175.55 174.09 1vch s PRO 5 N 0.04 4.33 -0.01 4.97 0.04 -1.26 -1.17 135.00 141.93 1vch s PRO 5 Ca -0.01 1.40 0.08 0.00 0.04 0.00 0.00 61.00 62.50 1vch s PRO 5 Cb -0.09 -3.60 -0.02 0.00 0.04 0.00 0.00 34.50 30.83 1vch s PRO 5 CO 0.01 -0.50 -0.24 0.96 0.04 0.00 0.00 177.00 177.27 1vch s ILE 6 N 2.69 2.28 -0.01 0.56 -4.36 0.22 -4.96 121.20 117.62 1vch s ILE 6 Ca 0.47 -1.11 0.02 0.00 -0.26 0.00 0.00 60.65 59.77 1vch s ILE 6 Cb -0.17 -1.84 -0.01 0.00 1.25 0.00 0.00 42.46 41.69 1vch s ILE 6 CO 0.12 0.52 -0.08 -0.89 0.24 0.00 0.00 174.94 174.85 1vch s THR 7 N -0.69 0.65 -0.09 8.37 2.01 -1.26 -1.11 115.64 123.51 1vch s THR 7 Ca 0.11 -0.34 -0.04 0.00 0.31 0.00 0.00 61.69 61.72 1vch s THR 7 Cb -0.10 -0.55 0.05 0.00 0.01 0.00 0.00 72.50 71.91 1vch s THR 7 CO 0.00 0.19 0.21 -0.69 -0.69 0.00 0.00 174.62 173.63 1vch s VAL 8 N -0.15 -0.13 -1.48 3.82 1.01 -0.70 -4.91 120.40 117.87 1vch s VAL 8 Ca 0.02 0.21 -0.08 0.00 0.00 0.00 0.00 61.98 62.13 1vch s VAL 8 Cb -0.04 -0.33 0.06 0.00 0.00 0.00 0.00 36.38 36.07 1vch s VAL 8 CO -0.00 0.08 0.78 0.61 0.00 0.00 0.00 175.10 176.57 1vch n GLY 9 N 4.53 -0.38 3.07 4.51 0.00 -1.26 -1.28 105.19 114.37 1vch n GLY 9 Ca -0.20 0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1vch n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vch n GLY 10 N -1.67 0.61 3.51 -0.02 0.00 -1.26 -4.96 105.19 101.39 1vch n GLY 10 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1vch n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vch s VAL 11 N -2.75 4.33 -0.10 1.61 1.01 -0.41 -5.09 120.40 119.01 1vch s VAL 11 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1vch s VAL 11 Cb 0.00 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1vch s VAL 11 CO 0.00 0.41 -0.09 -0.89 0.00 0.00 0.00 175.10 174.53 1vch s THR 12 N 0.94 3.45 0.00 3.92 2.01 -1.26 -1.72 115.64 122.99 1vch s THR 12 Ca 0.03 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.52 1vch s THR 12 Cb -0.14 -2.43 -0.01 0.00 0.01 0.00 0.00 72.50 69.92 1vch s THR 12 CO 0.02 0.56 -0.12 -0.13 -0.69 0.00 0.00 174.62 174.26 1vch s ARG 13 N -0.24 0.93 -0.50 4.92 1.81 -0.27 -4.97 118.95 120.62 1vch s ARG 13 Ca 0.03 -0.50 -0.16 0.00 -1.72 0.00 0.00 55.73 53.38 1vch s ARG 13 Cb -0.13 -0.90 0.10 0.00 -0.45 0.00 0.00 34.95 33.56 1vch s ARG 13 CO 0.03 0.24 0.44 -1.01 -0.68 0.00 0.00 175.30 174.32 1vch s HIS 14 N -0.43 3.24 0.24 -0.53 3.76 -1.26 -0.61 115.29 119.70 1vch s HIS 14 Ca 0.03 -1.07 0.07 0.00 -0.15 0.00 0.00 55.06 53.94 1vch s HIS 14 Cb -0.05 -3.44 -0.04 0.00 1.11 0.00 0.00 32.58 30.16 1vch s HIS 14 CO -0.00 -0.89 0.20 0.14 -0.85 0.00 0.00 174.74 173.33 1vch s VAL 15 N 1.64 4.49 0.97 -0.90 -7.23 -0.32 -4.74 120.40 114.31 1vch s VAL 15 Ca 0.04 -1.35 -0.12 0.00 -1.81 0.00 0.00 61.98 58.74 1vch s VAL 15 Cb -0.27 -3.41 0.17 0.00 0.56 0.00 0.00 36.38 33.43 1vch s VAL 15 CO 0.05 -0.32 1.09 -2.84 -0.31 0.00 0.00 175.10 172.77 1vch s PRO 16 N -3.77 0.65 -0.03 4.82 0.02 -1.26 0.13 135.00 135.56 1vch s PRO 16 Ca 0.33 0.76 0.04 0.00 0.02 0.00 0.00 61.00 62.14 1vch s PRO 16 Cb -0.08 -1.74 -0.03 0.00 0.02 0.00 0.00 34.50 32.67 1vch s PRO 16 CO 0.25 -2.64 -0.12 -0.51 -0.33 0.00 0.00 177.00 173.64 1vch s LEU 17 N -6.46 2.87 0.27 -5.54 1.43 -1.26 0.46 118.68 110.45 1vch s LEU 17 Ca 0.65 -0.20 0.09 0.00 -1.03 0.00 0.00 54.13 53.65 1vch s LEU 17 Cb -0.19 -1.62 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 1vch s LEU 17 CO 0.58 0.32 -0.13 0.27 0.23 0.00 0.00 176.35 177.62 1vch s ILE 18 N -0.83 2.05 -0.64 -0.59 -4.36 -0.44 -4.89 121.20 111.50 1vch s ILE 18 Ca 0.13 -2.25 0.04 0.00 -0.26 0.00 0.00 60.65 58.31 1vch s ILE 18 Cb -0.11 -2.34 0.15 0.00 1.25 0.00 0.00 42.46 41.42 1vch s ILE 18 CO 0.03 -0.39 0.41 -0.70 0.24 0.00 0.00 174.94 174.53 1vch s GLU 19 N -3.61 2.29 0.27 0.37 2.12 -1.26 -1.53 118.70 117.35 1vch s GLU 19 Ca 0.28 -3.05 -0.03 0.00 0.36 0.00 0.00 54.97 52.53 1vch s GLU 19 Cb -0.00 -3.40 0.36 0.00 0.26 0.00 0.00 34.13 31.34 1vch s GLU 19 CO 0.12 -1.21 1.91 -1.35 -0.54 0.00 0.00 175.26 174.19 1vch h PRO 20 N 5.86 1.10 -5.25 4.30 0.11 -1.95 -3.42 132.00 132.75 1vch h PRO 20 Ca 0.05 -0.11 -0.47 0.00 0.11 0.00 0.00 66.00 65.58 1vch h PRO 20 Cb 0.81 -0.22 -0.28 0.00 0.11 0.00 0.00 31.00 31.42 1vch h PRO 20 CO 0.71 0.79 -0.81 -0.51 -0.21 0.00 0.00 178.00 177.98 1vch s LEU 21 N -9.82 2.06 -0.00 2.35 1.43 -1.25 -5.08 118.68 108.37 1vch s LEU 21 Ca -0.12 -0.29 -0.37 0.00 -1.03 0.00 0.00 54.13 52.32 1vch s LEU 21 Cb 0.17 -0.68 -0.16 0.00 0.03 0.00 0.00 46.19 45.55 1vch s LEU 21 CO 0.81 0.14 1.47 -0.81 0.23 0.00 0.00 176.35 178.19 1vch n PRO 22 N 2.57 1.26 -0.92 1.29 -0.04 -1.26 -0.39 135.00 137.50 1vch n PRO 22 Ca -0.15 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1vch n PRO 22 Cb 0.55 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 1vch n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vch n GLY 23 N 3.05 0.75 3.00 0.55 0.00 -1.26 -4.97 105.19 106.30 1vch n GLY 23 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1vch n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vch s ARG 24 N -0.22 1.55 -0.10 1.61 1.81 0.47 -4.93 118.95 119.14 1vch s ARG 24 Ca 0.00 -1.65 -0.02 0.00 -1.72 0.00 0.00 55.73 52.34 1vch s ARG 24 Cb 0.00 -3.00 -0.03 0.00 -0.45 0.00 0.00 34.95 31.47 1vch s ARG 24 CO 0.00 -0.86 -0.02 1.03 -0.68 0.00 0.00 175.30 174.77 1vch s ARG 25 N 1.04 3.15 0.13 3.54 0.52 -0.87 -3.54 118.95 122.93 1vch s ARG 25 Ca 0.06 -0.47 0.07 0.00 -0.52 0.00 0.00 55.73 54.88 1vch s ARG 25 Cb -0.19 -2.80 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 1vch s ARG 25 CO -0.09 0.56 -0.17 0.96 0.02 0.00 0.00 175.30 176.58 1vch s ILE 26 N -0.49 1.57 0.42 1.52 -4.36 -0.58 0.70 121.20 119.99 1vch s ILE 26 Ca 0.08 -1.75 -0.25 0.00 -0.26 0.00 0.00 60.65 58.47 1vch s ILE 26 Cb -0.12 -1.63 -0.08 0.00 1.25 0.00 0.00 42.46 41.88 1vch s ILE 26 CO 0.02 -0.31 1.31 -2.84 0.24 0.00 0.00 174.94 173.36 1vch s PRO 27 N -2.55 3.87 -0.33 0.37 0.02 -1.26 -1.33 135.00 133.79 1vch s PRO 27 Ca 0.11 2.16 -0.16 0.00 0.02 0.00 0.00 61.00 63.13 1vch s PRO 27 Cb -0.06 -2.69 -0.02 0.00 0.02 0.00 0.00 34.50 31.76 1vch s PRO 27 CO 0.05 -0.58 0.40 -1.17 -0.33 0.00 0.00 177.00 175.37 1vch s LEU 28 N -2.58 4.33 0.17 -5.54 2.96 0.17 -4.82 118.68 113.37 1vch s LEU 28 Ca 0.59 -0.07 -0.30 0.00 -0.22 0.00 0.00 54.13 54.12 1vch s LEU 28 Cb -0.38 -2.41 -0.07 0.00 0.50 0.00 0.00 46.19 43.82 1vch s LEU 28 CO 0.48 -0.34 0.96 0.54 -1.32 0.00 0.00 176.35 176.67 1vch s VAL 29 N 2.12 4.29 -0.27 1.68 0.11 -1.26 -4.41 120.40 122.66 1vch s VAL 29 Ca 0.14 2.06 -0.01 0.00 -2.93 0.00 0.00 61.98 61.24 1vch s VAL 29 Cb -0.16 -4.31 0.13 0.00 -1.53 0.00 0.00 36.38 30.51 1vch s VAL 29 CO 0.12 0.39 0.31 -0.70 -3.33 0.00 0.00 175.10 171.89 1vch s GLU 30 N -0.53 0.32 0.05 1.54 2.56 -1.26 -4.98 118.70 116.41 1vch s GLU 30 Ca 0.44 0.07 0.15 0.00 0.00 0.00 0.00 54.97 55.64 1vch s GLU 30 Cb -0.25 -0.67 -0.15 0.00 2.00 0.00 0.00 34.13 35.07 1vch s GLU 30 CO 0.31 -0.90 0.86 0.74 -0.56 0.00 0.00 175.26 175.71 1vch h PHE 31 N 8.24 0.00 -2.11 5.30 0.04 -1.93 -3.46 116.94 123.03 1vch h PHE 31 Ca -0.14 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.02 1vch h PHE 31 Cb 1.11 0.00 0.05 0.00 2.20 0.00 0.00 35.95 39.30 1vch h PHE 31 CO 0.23 0.70 0.83 1.28 -0.60 0.00 0.00 178.31 180.75 1vch n LEU 32 N -2.98 2.95 0.00 1.54 4.77 -1.26 -1.38 117.00 120.64 1vch n LEU 32 Ca -0.10 1.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.94 1vch n LEU 32 Cb 0.89 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1vch n LEU 32 CO 0.43 -0.34 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 1vch n GLY 33 N 3.55 0.78 2.63 -0.72 0.00 -1.26 -5.02 105.19 105.15 1vch n GLY 33 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 1vch n GLY 33 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vch s ASP 34 N -2.85 3.11 0.18 1.61 -1.08 -0.48 -5.01 116.67 112.17 1vch s ASP 34 Ca 0.00 -3.02 -0.13 0.00 -0.52 0.00 0.00 52.55 48.88 1vch s ASP 34 Cb 0.00 -0.92 0.18 0.00 -1.46 0.00 0.00 42.92 40.72 1vch s ASP 34 CO 0.00 -0.20 1.71 -0.65 0.52 0.00 0.00 175.17 176.56 1vch h PRO 35 N 6.08 0.21 -0.32 4.34 0.11 -1.95 -0.86 132.00 139.61 1vch h PRO 35 Ca 0.13 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.24 1vch h PRO 35 Cb 0.88 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 1vch h PRO 35 CO 0.48 0.14 0.18 1.49 -0.21 0.00 0.00 178.00 180.08 1vch h GLU 36 N 0.22 0.36 -0.57 1.05 4.81 -1.96 -0.83 114.58 117.67 1vch h GLU 36 Ca 0.24 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1vch h GLU 36 Cb 0.33 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1vch h GLU 36 CO -0.32 0.24 -0.06 0.35 -0.73 0.00 0.00 179.01 178.49 1vch h PHE 37 N 0.38 1.15 -0.46 0.92 3.57 -1.87 -2.12 116.94 118.50 1vch h PHE 37 Ca 0.12 -0.22 -0.02 0.00 3.53 0.00 0.00 57.97 61.39 1vch h PHE 37 Cb 0.00 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 1vch h PHE 37 CO -0.08 1.04 0.21 1.15 -2.23 0.00 0.00 178.31 178.41 1vch h THR 38 N 0.94 1.19 -0.43 4.41 2.02 -0.91 -1.84 112.91 118.29 1vch h THR 38 Ca 0.15 -0.55 -0.11 0.00 0.77 0.00 0.00 66.41 66.67 1vch h THR 38 Cb 0.62 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1vch h THR 38 CO 0.04 0.21 -0.19 -0.09 0.37 0.00 0.00 175.52 175.86 1vch h ARG 39 N 0.60 0.84 -0.84 6.66 2.43 -1.04 0.64 114.38 123.67 1vch h ARG 39 Ca 0.16 -0.33 0.03 0.00 -0.81 0.00 0.00 59.98 59.03 1vch h ARG 39 Cb 0.13 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.59 1vch h ARG 39 CO -0.02 0.96 0.54 0.00 -1.51 0.00 0.00 179.97 179.94 1vch h ALA 40 N 1.04 1.11 -0.22 2.80 0.00 -1.17 0.32 119.26 123.14 1vch h ALA 40 Ca 0.11 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1vch h ALA 40 Cb 0.72 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1vch h ALA 40 CO 0.06 0.37 -0.12 0.00 0.00 0.00 0.00 179.25 179.56 1vch h ALA 41 N 1.35 0.31 -0.66 0.00 0.00 -0.94 -1.96 119.26 117.36 1vch h ALA 41 Ca 0.34 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1vch h ALA 41 Cb 0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1vch h ALA 41 CO -0.12 0.17 0.42 0.00 0.00 0.00 0.00 179.25 179.72 1vch h ALA 42 N 0.70 0.85 -0.06 0.00 0.00 -0.47 -1.62 119.26 118.66 1vch h ALA 42 Ca 0.05 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1vch h ALA 42 Cb 0.62 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1vch h ALA 42 CO 0.03 0.19 -0.26 0.93 0.00 0.00 0.00 179.25 180.15 1vch h GLU 43 N 0.83 0.10 -0.01 0.00 4.39 -0.90 -1.57 114.58 117.42 1vch h GLU 43 Ca 0.26 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.83 1vch h GLU 43 Cb -0.01 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1vch h GLU 43 CO -0.09 0.36 -0.47 0.00 -1.16 0.00 0.00 179.01 177.65 1vch h ALA 44 N 1.64 1.20 0.00 3.43 0.00 -0.52 -3.08 119.26 121.94 1vch h ALA 44 Ca 0.01 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.31 1vch h ALA 44 Cb 0.52 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1vch h ALA 44 CO 0.04 0.59 -0.97 -0.07 0.00 0.00 0.00 179.25 178.84 1vch h LEU 45 N 0.02 0.00 -0.73 0.00 3.38 -0.51 -3.38 115.31 114.09 1vch h LEU 45 Ca -0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 1vch h LEU 45 Cb 0.84 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.45 1vch h LEU 45 CO 0.06 0.81 -0.14 0.03 0.09 0.00 0.00 178.44 179.30 1vch h ARG 46 N 0.00 0.02 -0.25 1.13 3.08 -1.22 0.61 114.38 117.75 1vch h ARG 46 Ca -0.05 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.07 1vch h ARG 46 Cb 1.67 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.70 1vch h ARG 46 CO 0.10 0.01 0.30 -1.35 -1.07 0.00 0.00 179.97 177.96 1vch h PRO 47 N 0.02 0.00 -0.01 0.04 0.11 -1.75 -1.71 132.00 128.71 1vch h PRO 47 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 1vch h PRO 47 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1vch h PRO 47 CO -0.73 0.00 -0.25 1.28 -0.21 0.00 0.00 178.00 178.10 1vch n LEU 48 N -3.69 0.86 -4.65 2.35 4.77 0.20 -4.85 117.00 111.99 1vch n LEU 48 Ca 0.03 -0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.41 1vch n LEU 48 Cb 0.44 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1vch n LEU 48 CO 0.26 0.16 0.74 -0.69 -1.33 0.00 0.00 177.39 176.54 1vch s VAL 49 N -2.55 4.79 0.55 4.08 1.01 -0.65 -5.00 120.40 122.63 1vch s VAL 49 Ca 0.24 1.74 -0.20 0.00 0.00 0.00 0.00 61.98 63.75 1vch s VAL 49 Cb 0.19 -4.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 1vch s VAL 49 CO 0.53 -0.10 1.00 -2.65 0.00 0.00 0.00 175.10 173.88 1vch n PRO 50 N 6.05 1.08 0.29 2.72 -0.02 -1.26 -4.86 135.00 139.00 1vch n PRO 50 Ca 0.08 0.41 0.17 0.00 -2.02 0.00 0.00 63.50 62.13 1vch n PRO 50 Cb 0.47 -2.17 0.84 0.00 -0.02 0.00 0.00 33.50 32.62 1vch n PRO 50 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1vch h LYS 51 N 0.83 0.00 0.00 -0.52 6.56 -1.97 -2.25 116.57 119.21 1vch h LYS 51 Ca -0.48 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 1vch h LYS 51 Cb 1.35 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.01 1vch h LYS 51 CO 0.53 0.06 -0.05 1.05 -2.06 0.00 0.00 179.45 178.97 1vch h GLU 52 N 0.00 0.00 -6.22 3.15 4.11 -1.99 -3.47 114.58 110.15 1vch h GLU 52 Ca -0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.36 58.75 1vch h GLU 52 Cb 0.31 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.64 1vch h GLU 52 CO 0.01 0.00 0.11 0.00 0.07 0.00 0.00 179.01 179.20 1vch n ALA 53 N -1.86 -1.60 -0.02 1.06 0.00 -0.85 -4.79 120.51 112.46 1vch n ALA 53 Ca 0.05 0.48 -0.02 0.00 0.00 0.00 0.00 53.44 53.96 1vch n ALA 53 Cb 0.45 -1.92 -0.03 0.00 0.00 0.00 0.00 19.45 17.95 1vch n ALA 53 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vch n GLU 54 N 1.59 3.12 -3.63 0.00 1.02 -0.52 -5.01 120.64 117.22 1vch n GLU 54 Ca 0.16 -0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.15 1vch n GLU 54 Cb 0.22 -1.10 -0.07 0.00 -0.02 0.00 0.00 31.44 30.46 1vch n GLU 54 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1vch s ILE 55 N -2.11 0.01 0.12 -3.67 2.07 -1.16 -4.26 121.20 112.21 1vch s ILE 55 Ca -0.02 -0.07 -0.01 0.00 -1.41 0.00 0.00 60.65 59.14 1vch s ILE 55 Cb 0.01 -0.86 -0.04 0.00 0.13 0.00 0.00 42.46 41.70 1vch s ILE 55 CO 0.16 -0.04 0.30 -0.76 -1.91 0.00 0.00 174.94 172.69 1vch s LEU 56 N -0.45 4.31 -0.04 8.50 1.43 -0.69 -1.56 118.68 130.18 1vch s LEU 56 Ca -0.06 0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 53.37 1vch s LEU 56 Cb -0.03 -3.07 0.03 0.00 0.03 0.00 0.00 46.19 43.15 1vch s LEU 56 CO 0.04 0.08 0.05 0.12 0.23 0.00 0.00 176.35 176.88 1vch s PHE 57 N -1.66 0.09 0.36 0.29 5.36 -0.33 -0.69 117.98 121.41 1vch s PHE 57 Ca 0.37 0.22 0.04 0.00 -0.96 0.00 0.00 56.93 56.60 1vch s PHE 57 Cb -0.12 -0.48 -0.03 0.00 -0.34 0.00 0.00 43.02 42.05 1vch s PHE 57 CO 0.28 -0.19 0.16 -0.08 -1.46 0.00 0.00 175.22 173.93 1vch s THR 58 N 2.04 0.42 -0.02 0.12 -1.32 -0.90 -1.21 115.64 114.79 1vch s THR 58 Ca 0.04 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.57 1vch s THR 58 Cb -0.12 -2.44 -0.01 0.00 -1.51 0.00 0.00 72.50 68.41 1vch s THR 58 CO -0.03 0.00 -0.19 0.42 -2.21 0.00 0.00 174.62 172.61 1vch s THR 59 N -3.38 1.53 0.88 5.08 -4.23 -1.26 -1.12 115.64 113.14 1vch s THR 59 Ca 0.31 -0.83 -0.12 0.00 -1.18 0.00 0.00 61.69 59.87 1vch s THR 59 Cb 0.03 -1.27 0.10 0.00 1.34 0.00 0.00 72.50 72.70 1vch s THR 59 CO 0.18 0.43 1.01 -1.84 -0.54 0.00 0.00 174.62 173.86 1vch n GLU 60 N 2.62 -0.20 -0.03 3.99 0.28 -0.55 -4.30 120.64 122.44 1vch n GLU 60 Ca -0.15 0.01 -0.07 0.00 -0.16 0.00 0.00 57.16 56.79 1vch n GLU 60 Cb 0.53 -2.28 -0.03 0.00 1.43 0.00 0.00 31.44 31.10 1vch n GLU 60 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1vch n THR 61 N -3.76 0.37 -0.28 3.84 -1.04 -1.26 -4.82 114.28 107.32 1vch n THR 61 Ca 0.11 -0.11 0.25 0.00 -2.04 0.00 0.00 64.05 62.26 1vch n THR 61 Cb 0.52 -1.34 0.58 0.00 -1.82 0.00 0.00 70.33 68.27 1vch n THR 61 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1vch h SER 62 N -0.17 0.29 0.26 8.00 4.64 -2.00 -0.98 113.55 123.59 1vch h SER 62 Ca -0.17 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1vch h SER 62 Cb 1.17 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1vch h SER 62 CO -0.08 0.08 0.00 -2.65 -0.87 0.00 0.00 176.83 173.31 1vch n PRO 63 N -4.47 0.67 0.14 4.77 -0.02 -1.26 -4.19 135.00 130.64 1vch n PRO 63 Ca 0.23 0.01 -0.14 0.00 -2.02 0.00 0.00 63.50 61.58 1vch n PRO 63 Cb 0.91 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.81 1vch n PRO 63 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1vch h ILE 64 N 0.00 0.83 -0.91 4.25 2.04 -1.42 -1.10 117.51 121.20 1vch h ILE 64 Ca 0.00 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1vch h ILE 64 Cb 0.13 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1vch h ILE 64 CO 0.00 0.05 0.53 1.55 0.00 0.00 0.00 178.15 180.29 1vch h PRO 65 N -0.42 1.24 -0.03 2.37 0.13 -1.80 0.11 132.00 133.61 1vch h PRO 65 Ca -0.03 -0.12 0.03 0.00 -0.87 0.00 0.00 66.00 65.01 1vch h PRO 65 Cb 0.32 -0.26 -0.04 0.00 0.13 0.00 0.00 31.00 31.15 1vch h PRO 65 CO 0.05 0.88 -0.19 1.25 -0.23 0.00 0.00 178.00 179.76 1vch h LEU 66 N 1.26 -0.55 -0.58 1.56 5.85 -1.76 0.15 115.31 121.24 1vch h LEU 66 Ca 0.32 0.08 -0.13 0.00 0.84 0.00 0.00 57.88 59.00 1vch h LEU 66 Cb -0.03 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1vch h LEU 66 CO -0.06 -0.25 -0.27 0.74 -0.34 0.00 0.00 178.44 178.26 1vch h THR 67 N -0.29 1.27 -0.28 1.05 2.02 -0.86 -1.91 112.91 113.92 1vch h THR 67 Ca 0.07 -1.42 -0.01 0.00 0.77 0.00 0.00 66.41 65.81 1vch h THR 67 Cb 0.37 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1vch h THR 67 CO -0.20 0.48 0.13 -0.74 0.37 0.00 0.00 175.52 175.56 1vch h HIS 68 N 0.72 0.40 -0.61 3.16 -0.00 -0.54 0.17 115.15 118.44 1vch h HIS 68 Ca 0.09 -0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.38 1vch h HIS 68 Cb 0.82 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 28.08 1vch h HIS 68 CO 0.05 0.37 0.14 0.28 -0.00 0.00 0.00 177.93 178.77 1vch h VAL 69 N 0.32 1.25 -0.36 5.26 2.07 -0.93 -1.10 116.25 122.76 1vch h VAL 69 Ca 0.10 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 66.64 1vch h VAL 69 Cb 0.12 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1vch h VAL 69 CO -0.01 0.35 0.03 0.25 0.02 0.00 0.00 177.57 178.20 1vch h LEU 70 N 0.89 0.60 -0.14 2.57 5.85 -1.17 -1.13 115.31 122.77 1vch h LEU 70 Ca 0.19 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1vch h LEU 70 Cb 0.36 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1vch h LEU 70 CO 0.00 0.74 0.08 0.00 -0.34 0.00 0.00 178.44 178.92 1vch h ALA 71 N 0.89 0.18 -0.75 1.25 0.00 -0.51 -1.89 119.26 118.42 1vch h ALA 71 Ca 0.11 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1vch h ALA 71 Cb 0.41 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1vch h ALA 71 CO 0.01 -0.29 0.27 1.49 0.00 0.00 0.00 179.25 180.73 1vch h GLU 72 N 0.15 1.15 -0.31 0.00 4.81 -1.16 0.34 114.58 119.56 1vch h GLU 72 Ca 0.05 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1vch h GLU 72 Cb 0.05 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1vch h GLU 72 CO -0.01 0.95 0.16 0.00 -0.73 0.00 0.00 179.01 179.38 1vch h ALA 73 N 1.14 1.70 -0.01 2.92 0.00 -0.93 -2.37 119.26 121.70 1vch h ALA 73 Ca 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1vch h ALA 73 Cb 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1vch h ALA 73 CO -0.02 0.26 -0.30 1.28 0.00 0.00 0.00 179.25 180.47 1vch n LEU 74 N -4.44 1.76 -0.83 0.00 4.77 -0.74 -4.95 117.00 112.57 1vch n LEU 74 Ca 0.02 -0.59 -0.08 0.00 -0.03 0.00 0.00 56.01 55.32 1vch n LEU 74 Cb 0.11 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 1vch n LEU 74 CO 0.36 0.32 -0.10 0.61 -1.33 0.00 0.00 177.39 177.25 1vch n GLY 75 N 1.36 0.47 3.65 -0.72 0.00 -0.08 -5.02 105.19 104.85 1vch n GLY 75 Ca 0.12 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 1vch n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vch s LEU 76 N -2.21 3.28 0.61 0.99 1.43 -0.13 -5.02 118.68 117.63 1vch s LEU 76 Ca 0.00 -0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 52.67 1vch s LEU 76 Cb 0.00 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 44.27 1vch s LEU 76 CO 0.00 0.12 0.92 -2.16 0.23 0.00 0.00 176.35 175.46 1vch s PRO 77 N -2.71 2.79 0.07 1.29 0.04 -1.26 -4.22 135.00 131.00 1vch s PRO 77 Ca 0.26 -0.06 -0.07 0.00 0.04 0.00 0.00 61.00 61.17 1vch s PRO 77 Cb -0.10 -2.26 -0.01 0.00 0.04 0.00 0.00 34.50 32.17 1vch s PRO 77 CO 0.18 -0.79 0.14 1.52 0.04 0.00 0.00 177.00 178.08 1vch s TYR 78 N -3.03 0.22 0.20 0.56 1.13 -1.26 -1.71 117.35 113.46 1vch s TYR 78 Ca 0.55 -0.64 0.08 0.00 -1.41 0.00 0.00 57.07 55.65 1vch s TYR 78 Cb -0.11 -0.13 -0.05 0.00 -1.10 0.00 0.00 41.96 40.58 1vch s TYR 78 CO 0.45 -0.48 -0.16 0.14 -2.51 0.00 0.00 175.55 172.99 1vch s VAL 79 N -3.63 1.83 -0.08 -3.49 -7.23 0.14 -4.93 120.40 103.01 1vch s VAL 79 Ca 0.03 -2.18 0.01 0.00 -1.81 0.00 0.00 61.98 58.04 1vch s VAL 79 Cb 0.04 -2.03 0.02 0.00 0.56 0.00 0.00 36.38 34.97 1vch s VAL 79 CO -0.10 -0.53 -0.09 -0.69 -0.31 0.00 0.00 175.10 173.39 1vch s VAL 80 N -2.75 0.99 0.14 1.32 1.01 -1.26 -2.11 120.40 117.73 1vch s VAL 80 Ca 0.22 -0.34 -0.19 0.00 0.00 0.00 0.00 61.98 61.67 1vch s VAL 80 Cb -0.02 -0.96 -0.07 0.00 0.00 0.00 0.00 36.38 35.32 1vch s VAL 80 CO 0.08 0.34 0.63 0.00 0.00 0.00 0.00 175.10 176.15 1vch s ALA 81 N 1.15 3.53 0.28 5.51 0.00 -0.28 -4.69 121.76 127.27 1vch s ALA 81 Ca -0.06 0.08 0.05 0.00 0.00 0.00 0.00 51.96 52.03 1vch s ALA 81 Cb -0.14 -2.70 -0.02 0.00 0.00 0.00 0.00 23.12 20.25 1vch s ALA 81 CO -0.02 0.38 0.42 1.03 0.00 0.00 0.00 175.76 177.57 1vch s ARG 82 N -1.49 3.35 0.00 0.00 1.81 0.22 -1.48 118.95 121.36 1vch s ARG 82 Ca 0.35 -0.76 0.23 0.00 -1.72 0.00 0.00 55.73 53.83 1vch s ARG 82 Cb -0.18 -2.84 0.47 0.00 -0.45 0.00 0.00 34.95 31.95 1vch s ARG 82 CO 0.21 0.28 1.42 0.54 -0.68 0.00 0.00 175.30 177.07 1vch n ARG 83 N -1.53 2.38 -3.53 3.54 1.74 -1.26 -0.23 116.66 117.77 1vch n ARG 83 Ca -0.06 -2.08 -0.13 0.00 -0.77 0.00 0.00 57.85 54.81 1vch n ARG 83 Cb 0.57 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.47 1vch n ARG 83 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1vch s ARG 84 N -1.57 0.89 0.24 5.56 1.70 -1.26 -4.56 118.95 119.95 1vch s ARG 84 Ca 0.37 0.07 -0.31 0.00 -0.47 0.00 0.00 55.73 55.39 1vch s ARG 84 Cb 0.22 0.42 -0.11 0.00 -0.57 0.00 0.00 34.95 34.90 1vch s ARG 84 CO 0.31 -0.31 1.61 0.50 -1.08 0.00 0.00 175.30 176.33 1vch s ARG 85 N -1.69 4.15 0.10 3.89 3.52 -1.26 -4.87 118.95 122.79 1vch s ARG 85 Ca -0.04 2.52 -0.16 0.00 -0.13 0.00 0.00 55.73 57.92 1vch s ARG 85 Cb -0.00 -3.07 -0.07 0.00 -1.56 0.00 0.00 34.95 30.25 1vch s ARG 85 CO 0.02 -0.64 0.53 0.50 -0.81 0.00 0.00 175.30 174.90 1vch s ARG 86 N 0.30 4.04 0.37 5.12 3.52 -1.26 -5.03 118.95 126.01 1vch s ARG 86 Ca 0.68 0.55 -0.27 0.00 -0.13 0.00 0.00 55.73 56.56 1vch s ARG 86 Cb -0.47 -3.08 -0.11 0.00 -1.56 0.00 0.00 34.95 29.73 1vch s ARG 86 CO 0.40 0.56 1.28 -2.30 -0.81 0.00 0.00 175.30 174.43 1vch n PRO 87 N 1.25 2.06 -1.23 5.12 -0.02 -1.26 -1.70 135.00 139.22 1vch n PRO 87 Ca -0.08 0.72 -0.08 0.00 -2.02 0.00 0.00 63.50 62.04 1vch n PRO 87 Cb 0.52 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 1vch n PRO 87 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1vch n TYR 88 N 0.14 0.00 -1.71 6.00 4.01 -1.26 -4.94 117.16 119.40 1vch n TYR 88 Ca 0.05 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.36 1vch n TYR 88 Cb 0.37 -2.02 -0.03 0.00 -0.31 0.00 0.00 39.34 37.36 1vch n TYR 88 CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 1vch n MET 89 N -1.50 2.53 -2.40 -0.72 1.56 -0.69 -4.94 117.12 110.96 1vch n MET 89 Ca -0.08 0.91 -0.43 0.00 -0.27 0.00 0.00 57.70 57.83 1vch n MET 89 Cb 0.42 -2.70 -0.02 0.00 2.15 0.00 0.00 33.22 33.07 1vch n MET 89 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 1vch s GLU 90 N 0.43 4.25 0.00 2.12 2.02 -1.26 -4.67 118.70 121.59 1vch s GLU 90 Ca 0.72 1.70 0.00 0.00 0.02 0.00 0.00 54.97 57.41 1vch s GLU 90 Cb -0.56 -3.74 0.00 0.00 0.10 0.00 0.00 34.13 29.94 1vch s GLU 90 CO 0.40 -0.67 0.00 -3.47 0.02 0.00 0.00 175.26 171.55 1vch n ASP 91 N 6.36 0.00 -4.80 -0.19 2.03 -1.26 -1.91 116.55 116.79 1vch n ASP 91 Ca 0.14 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.12 1vch n ASP 91 Cb 0.45 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.88 1vch n ASP 91 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1vch s PRO 92 N 0.00 3.01 -0.15 -0.67 0.04 -1.26 -4.26 135.00 131.71 1vch s PRO 92 Ca 0.00 1.18 -0.24 0.00 0.04 0.00 0.00 61.00 61.98 1vch s PRO 92 Cb 0.00 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 1vch s PRO 92 CO 0.00 -1.05 0.76 0.42 0.04 0.00 0.00 177.00 177.16 1vch s ILE 93 N -2.62 4.95 -0.12 0.56 1.01 -0.13 -4.86 121.20 120.00 1vch s ILE 93 Ca 0.63 1.49 -0.02 0.00 0.00 0.00 0.00 60.65 62.75 1vch s ILE 93 Cb -0.16 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.21 1vch s ILE 93 CO 0.44 0.10 -0.05 -0.63 0.00 0.00 0.00 174.94 174.80 1vch s ILE 94 N 1.77 3.81 -0.14 2.92 1.01 -1.26 -1.13 121.20 128.18 1vch s ILE 94 Ca 0.36 -0.41 -0.04 0.00 0.00 0.00 0.00 60.65 60.56 1vch s ILE 94 Cb -0.17 -2.62 0.07 0.00 0.01 0.00 0.00 42.46 39.75 1vch s ILE 94 CO 0.13 0.54 0.25 -1.58 0.00 0.00 0.00 174.94 174.29 1vch s GLN 95 N -0.14 0.15 0.29 2.79 2.00 -0.46 -4.99 119.66 119.30 1vch s GLN 95 Ca 0.02 0.67 -0.28 0.00 -2.00 0.00 0.00 55.36 53.78 1vch s GLN 95 Cb -0.13 -0.19 -0.09 0.00 0.80 0.00 0.00 33.01 33.40 1vch s GLN 95 CO 0.03 -0.34 0.98 -1.83 -0.50 0.00 0.00 175.29 173.63 1vch s GLU 96 N 2.40 4.65 0.18 1.67 -1.05 -1.26 -0.51 118.70 124.78 1vch s GLU 96 Ca 0.02 1.48 -0.00 0.00 -0.15 0.00 0.00 54.97 56.33 1vch s GLU 96 Cb -0.12 -3.01 -0.04 0.00 -0.44 0.00 0.00 34.13 30.52 1vch s GLU 96 CO -0.09 0.31 0.36 0.08 0.95 0.00 0.00 175.26 176.87 1vch s VAL 97 N -1.39 5.24 0.14 1.83 1.01 -0.04 -4.86 120.40 122.34 1vch s VAL 97 Ca 0.47 -0.41 -0.31 0.00 0.00 0.00 0.00 61.98 61.72 1vch s VAL 97 Cb -0.24 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 1vch s VAL 97 CO 0.30 -0.13 1.46 -1.58 0.00 0.00 0.00 175.10 175.15 1vch s GLN 98 N -3.23 4.28 -1.02 2.72 2.00 -1.26 -4.50 119.66 118.65 1vch s GLN 98 Ca 0.38 2.19 -0.23 0.00 -2.00 0.00 0.00 55.36 55.70 1vch s GLN 98 Cb -0.11 -3.20 0.01 0.00 0.80 0.00 0.00 33.01 30.50 1vch s GLN 98 CO 0.29 -0.49 1.68 -0.08 -0.50 0.00 0.00 175.29 176.18 1vch s THR 99 N 1.03 3.75 0.00 -0.34 -1.32 -1.26 -4.91 115.64 112.59 1vch s THR 99 Ca 0.66 -0.75 0.00 0.00 -1.21 0.00 0.00 61.69 60.39 1vch s THR 99 Cb -0.40 -4.68 0.00 0.00 -1.51 0.00 0.00 72.50 65.91 1vch s THR 99 CO 0.31 -1.54 0.00 0.61 -2.21 0.00 0.00 174.62 171.79 1vch n GLY 105 N 6.66 0.00 3.49 6.08 0.00 -1.26 -5.18 105.19 114.99 1vch n GLY 105 Ca 0.38 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.92 1vch n GLY 105 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vch n GLU 106 N 0.00 0.56 -4.70 1.61 -0.58 -1.26 -4.88 120.64 111.39 1vch n GLU 106 Ca 0.00 0.20 -0.25 0.00 -0.42 0.00 0.00 57.16 56.68 1vch n GLU 106 Cb 0.00 -1.42 -0.16 0.00 -0.57 0.00 0.00 31.44 29.28 1vch n GLU 106 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1vch s VAL 107 N -0.80 1.28 0.00 2.62 1.01 -1.26 -0.86 120.40 122.38 1vch s VAL 107 Ca 0.66 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 1vch s VAL 107 Cb -0.88 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 1vch s VAL 107 CO 0.57 0.38 0.26 -0.76 0.00 0.00 0.00 175.10 175.55 1vch s LEU 108 N 0.46 4.37 -0.09 3.92 1.43 0.33 -4.24 118.68 124.87 1vch s LEU 108 Ca -0.12 0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.54 1vch s LEU 108 Cb -0.15 -2.66 0.02 0.00 0.03 0.00 0.00 46.19 43.43 1vch s LEU 108 CO 0.04 0.26 -0.12 0.26 0.23 0.00 0.00 176.35 177.01 1vch s TRP 109 N -1.30 1.59 -0.25 0.29 0.52 0.68 -1.36 118.94 119.12 1vch s TRP 109 Ca 0.27 -0.67 0.03 0.00 0.02 0.00 0.00 56.10 55.75 1vch s TRP 109 Cb -0.13 -1.19 0.05 0.00 -1.15 0.00 0.00 33.47 31.05 1vch s TRP 109 CO 0.16 -0.37 -0.12 -1.17 0.02 0.00 0.00 176.95 175.47 1vch s LEU 110 N 0.96 3.28 0.53 2.99 2.96 -0.28 0.69 118.68 129.79 1vch s LEU 110 Ca -0.09 -1.29 -0.21 0.00 -0.22 0.00 0.00 54.13 52.32 1vch s LEU 110 Cb -0.15 -1.54 -0.08 0.00 0.50 0.00 0.00 46.19 44.92 1vch s LEU 110 CO 0.00 -0.17 0.93 -0.67 -1.32 0.00 0.00 176.35 175.12 1vch n ASP 111 N 4.46 0.74 -0.22 3.68 -0.08 -1.26 -0.95 116.55 122.92 1vch n ASP 111 Ca -0.15 0.89 -0.01 0.00 -1.51 0.00 0.00 54.79 54.01 1vch n ASP 111 Cb 0.43 -1.35 0.11 0.00 2.34 0.00 0.00 41.12 42.65 1vch n ASP 111 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1vch h ARG 112 N 0.88 0.52 -0.13 -0.67 9.65 -1.56 -0.82 114.38 122.24 1vch h ARG 112 Ca -0.47 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 1vch h ARG 112 Cb 1.36 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.81 1vch h ARG 112 CO 0.53 0.35 0.09 0.00 2.80 0.00 0.00 179.97 183.73 1vch h ARG 113 N 0.54 0.16 0.08 0.20 2.47 -1.90 -1.88 114.38 114.06 1vch h ARG 113 Ca 0.31 -0.01 -0.13 0.00 -1.26 0.00 0.00 59.98 58.89 1vch h ARG 113 Cb 0.30 -0.04 0.01 0.00 -1.65 0.00 0.00 29.97 28.60 1vch h ARG 113 CO -0.25 0.11 -0.55 0.74 0.56 0.00 0.00 179.97 180.58 1vch h PHE 114 N 0.17 0.40 -0.77 3.04 0.04 -1.63 -3.31 116.94 114.87 1vch h PHE 114 Ca 0.05 -0.28 0.13 0.00 2.80 0.00 0.00 57.97 60.68 1vch h PHE 114 Cb 0.00 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.08 1vch h PHE 114 CO -0.00 1.19 0.51 0.00 -0.60 0.00 0.00 178.31 179.41 1vch h ALA 115 N 0.10 1.99 -0.25 2.45 0.00 -0.85 0.74 119.26 123.45 1vch h ALA 115 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1vch h ALA 115 Cb 1.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1vch h ALA 115 CO 0.10 -0.19 -0.02 0.93 0.00 0.00 0.00 179.25 180.08 1vch h GLU 116 N 0.52 0.37 0.00 0.00 5.08 -1.43 -2.06 114.58 117.05 1vch h GLU 116 Ca 0.37 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1vch h GLU 116 Cb 0.73 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1vch h GLU 116 CO -0.13 0.41 0.00 1.63 -1.00 0.00 0.00 179.01 179.92 1vch n LYS 117 N -4.32 0.01 0.01 2.33 4.76 0.25 -2.71 118.16 118.48 1vch n LYS 117 Ca 0.00 0.30 0.11 0.00 -2.87 0.00 0.00 58.31 55.86 1vch n LYS 117 Cb 0.22 -1.52 -0.02 0.00 -1.84 0.00 0.00 35.03 31.87 1vch n LYS 117 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1vch n LEU 118 N -1.53 0.73 -4.67 -0.35 4.77 -0.77 -4.83 117.00 110.35 1vch n LEU 118 Ca 0.03 -0.25 -0.44 0.00 -0.03 0.00 0.00 56.01 55.32 1vch n LEU 118 Cb 0.14 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1vch n LEU 118 CO 0.11 0.16 1.55 -0.11 -1.33 0.00 0.00 177.39 177.77 1vch n LEU 119 N -1.67 3.95 -1.05 2.23 7.94 -1.10 -1.53 117.00 125.76 1vch n LEU 119 Ca 0.03 0.94 -0.14 0.00 -1.11 0.00 0.00 56.01 55.73 1vch n LEU 119 Cb 0.38 -1.49 -0.06 0.00 0.53 0.00 0.00 43.42 42.78 1vch n LEU 119 CO 0.41 0.12 -0.13 0.59 -1.11 0.00 0.00 177.39 177.27 1vch n ASN 120 N 6.89 -5.13 -4.82 1.96 3.02 0.11 -4.91 115.26 112.38 1vch n ASN 120 Ca 0.20 0.34 -0.30 0.00 -0.03 0.00 0.00 54.58 54.80 1vch n ASN 120 Cb 0.37 -3.84 -0.06 0.00 -0.61 0.00 0.00 39.78 35.64 1vch n ASN 120 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1vch s GLN 121 N -3.09 3.05 -0.49 3.52 -1.52 -0.58 -4.99 119.66 115.56 1vch s GLN 121 Ca 0.00 -0.65 -0.21 0.00 -1.95 0.00 0.00 55.36 52.54 1vch s GLN 121 Cb 0.00 -2.80 0.04 0.00 -0.22 0.00 0.00 33.01 30.03 1vch s GLN 121 CO 0.00 0.56 0.72 1.03 -0.25 0.00 0.00 175.29 177.35 1vch s ARG 122 N -2.58 3.25 -0.04 2.91 0.52 -1.26 -2.37 118.95 119.37 1vch s ARG 122 Ca 0.31 -0.50 -0.09 0.00 -0.52 0.00 0.00 55.73 54.94 1vch s ARG 122 Cb -0.12 -4.03 -0.05 0.00 0.52 0.00 0.00 34.95 31.28 1vch s ARG 122 CO 0.24 -1.21 0.26 0.08 0.02 0.00 0.00 175.30 174.69 1vch s VAL 123 N 3.07 5.31 -0.18 3.52 1.01 -0.10 -1.44 120.40 131.60 1vch s VAL 123 Ca 0.23 0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.54 1vch s VAL 123 Cb -0.15 -3.54 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 1vch s VAL 123 CO 0.17 0.51 -0.11 -0.69 0.00 0.00 0.00 175.10 174.97 1vch s VAL 124 N -1.15 2.89 0.12 2.92 1.01 -0.60 -0.46 120.40 125.13 1vch s VAL 124 Ca 0.22 -0.67 -0.25 0.00 0.00 0.00 0.00 61.98 61.27 1vch s VAL 124 Cb -0.14 -2.26 -0.07 0.00 0.00 0.00 0.00 36.38 33.91 1vch s VAL 124 CO 0.11 0.49 0.78 -0.76 0.00 0.00 0.00 175.10 175.71 1vch s LEU 125 N 1.08 4.54 -0.00 3.92 1.43 -0.11 -1.19 118.68 128.35 1vch s LEU 125 Ca 0.00 1.58 0.01 0.00 -1.03 0.00 0.00 54.13 54.69 1vch s LEU 125 Cb -0.15 -3.28 -0.00 0.00 0.03 0.00 0.00 46.19 42.79 1vch s LEU 125 CO -0.03 0.13 -0.04 -0.69 0.23 0.00 0.00 176.35 175.95 1vch s VAL 126 N -0.71 0.34 0.17 -1.59 1.01 -0.35 -0.33 120.40 118.94 1vch s VAL 126 Ca 0.37 -0.18 -0.13 0.00 0.00 0.00 0.00 61.98 62.04 1vch s VAL 126 Cb -0.22 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 35.88 1vch s VAL 126 CO 0.25 0.10 0.38 -0.55 0.00 0.00 0.00 175.10 175.28 1vch s SER 127 N -0.09 -0.09 0.02 3.32 0.15 -0.32 -4.30 113.70 112.38 1vch s SER 127 Ca 0.02 -0.66 -0.17 0.00 0.70 0.00 0.00 55.95 55.83 1vch s SER 127 Cb -0.02 0.49 -0.31 0.00 -1.71 0.00 0.00 66.02 64.47 1vch s SER 127 CO -0.00 -0.94 1.02 -2.24 1.20 0.00 0.00 173.24 172.28 1vch h ASP 128 N 2.41 0.75 -5.10 5.45 2.03 -1.90 -2.87 116.42 117.19 1vch h ASP 128 Ca -0.31 -0.88 -0.15 0.00 -0.73 0.00 0.00 57.03 54.96 1vch h ASP 128 Cb 1.24 -0.24 -0.18 0.00 -0.83 0.00 0.00 39.33 39.32 1vch h ASP 128 CO 0.44 1.56 -0.69 -0.69 -1.03 0.00 0.00 179.24 178.83 1vch s VAL 129 N -2.75 0.17 -0.03 4.15 1.01 -1.26 -1.05 120.40 120.63 1vch s VAL 129 Ca -0.11 -1.34 0.01 0.00 0.00 0.00 0.00 61.98 60.54 1vch s VAL 129 Cb 0.04 -0.87 0.03 0.00 0.00 0.00 0.00 36.38 35.58 1vch s VAL 129 CO 0.90 -0.74 -0.01 0.54 0.00 0.00 0.00 175.10 175.80 1vch s VAL 130 N -2.63 0.25 0.00 2.92 0.11 -0.48 -4.95 120.40 115.63 1vch s VAL 130 Ca -0.05 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 1vch s VAL 130 Cb -0.01 -0.33 0.00 0.00 -1.53 0.00 0.00 36.38 34.50 1vch s VAL 130 CO -0.05 0.16 0.00 0.00 -3.33 0.00 0.00 175.10 171.88 1vch n ALA 131 N 4.12 1.10 0.00 1.54 0.00 -1.26 -0.70 120.51 125.31 1vch n ALA 131 Ca -0.26 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.06 1vch n ALA 131 Cb 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 1vch n ALA 131 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1vch h SER 132 N 0.00 -0.07 0.00 0.00 4.64 -1.86 -3.20 113.55 113.05 1vch h SER 132 Ca 0.00 -0.53 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1vch h SER 132 Cb 0.00 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1vch h SER 132 CO 0.00 0.53 0.00 0.61 -0.87 0.00 0.00 176.83 177.10 1vch n GLY 133 N 0.63 0.88 0.32 -0.77 0.00 -1.26 -0.38 105.19 104.61 1vch n GLY 133 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 1vch n GLY 133 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1vch h GLU 134 N 2.08 0.88 -0.48 1.61 4.39 -1.94 -1.11 114.58 120.02 1vch h GLU 134 Ca 0.00 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1vch h GLU 134 Cb 0.00 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 1vch h GLU 134 CO 0.00 0.70 0.26 1.15 -1.16 0.00 0.00 179.01 179.96 1vch h THR 135 N 0.88 1.17 -0.59 1.13 2.02 -1.94 -0.75 112.91 114.84 1vch h THR 135 Ca 0.21 -0.45 -0.08 0.00 0.77 0.00 0.00 66.41 66.86 1vch h THR 135 Cb 0.12 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1vch h THR 135 CO -0.03 0.19 0.03 0.24 0.37 0.00 0.00 175.52 176.32 1vch h MET 136 N 0.64 1.00 -0.97 6.66 2.86 -1.89 -0.75 114.93 122.49 1vch h MET 136 Ca 0.17 -0.29 0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1vch h MET 136 Cb 0.07 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.56 1vch h MET 136 CO -0.03 0.96 0.63 0.00 1.06 0.00 0.00 176.91 179.54 1vch h ARG 137 N 0.92 1.20 -0.27 1.72 3.08 -0.76 0.11 114.38 120.37 1vch h ARG 137 Ca 0.17 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1vch h ARG 137 Cb 0.49 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1vch h ARG 137 CO 0.02 0.79 0.09 0.00 -1.07 0.00 0.00 179.97 179.81 1vch h ALA 138 N 1.39 0.36 -0.33 0.04 0.00 -0.57 -2.39 119.26 117.75 1vch h ALA 138 Ca 0.38 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1vch h ALA 138 Cb -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1vch h ALA 138 CO -0.12 -0.02 0.17 0.52 0.00 0.00 0.00 179.25 179.80 1vch h MET 139 N 0.28 0.34 -0.23 0.00 2.86 -0.29 -1.88 114.93 116.01 1vch h MET 139 Ca 0.09 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1vch h MET 139 Cb 0.22 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1vch h MET 139 CO -0.00 0.22 0.11 1.49 1.06 0.00 0.00 176.91 179.79 1vch h GLU 140 N 0.35 0.32 -0.53 1.72 4.81 -0.75 -0.18 114.58 120.31 1vch h GLU 140 Ca 0.14 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 1vch h GLU 140 Cb 0.05 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1vch h GLU 140 CO -0.09 0.25 -0.05 0.87 -0.73 0.00 0.00 179.01 179.26 1vch h LYS 141 N 0.32 0.95 -0.31 1.92 1.57 -0.83 -1.57 116.57 118.63 1vch h LYS 141 Ca 0.08 -0.31 -0.12 0.00 -1.87 0.00 0.00 60.65 58.43 1vch h LYS 141 Cb 0.04 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1vch h LYS 141 CO -0.01 0.97 -0.31 0.52 -0.57 0.00 0.00 179.45 180.05 1vch h MET 142 N 0.86 0.65 0.09 3.15 2.86 -0.44 -2.05 114.93 120.04 1vch h MET 142 Ca 0.15 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1vch h MET 142 Cb 0.58 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1vch h MET 142 CO 0.04 0.87 -0.04 0.28 1.06 0.00 0.00 176.91 179.12 1vch h VAL 143 N 0.55 0.99 -0.54 -2.22 2.07 -0.79 -1.13 116.25 115.18 1vch h VAL 143 Ca 0.07 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.34 1vch h VAL 143 Cb 0.80 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1vch h VAL 143 CO 0.07 0.07 0.36 -0.07 0.02 0.00 0.00 177.57 178.01 1vch h LEU 144 N -0.24 0.56 -0.63 2.57 3.38 -1.19 -1.05 115.31 118.71 1vch h LEU 144 Ca -0.01 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 1vch h LEU 144 Cb 0.20 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1vch h LEU 144 CO 0.02 0.39 -0.60 0.03 0.09 0.00 0.00 178.44 178.37 1vch h ARG 145 N 0.65 0.00 -0.00 1.13 3.08 -1.09 -2.89 114.38 115.26 1vch h ARG 145 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1vch h ARG 145 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1vch h ARG 145 CO -0.05 0.60 -0.02 0.00 -1.07 0.00 0.00 179.97 179.43 1vch n ALA 146 N -2.36 2.65 -0.48 0.04 0.00 -0.45 -4.91 120.51 115.00 1vch n ALA 146 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1vch n ALA 146 Cb 0.65 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1vch n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vch n GLY 147 N 1.13 0.70 1.40 0.00 0.00 -0.95 -3.64 105.19 103.83 1vch n GLY 147 Ca 0.20 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 1vch n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vch n GLY 148 N -2.48 3.95 3.16 -0.02 0.00 -0.51 0.09 105.19 109.37 1vch n GLY 148 Ca 0.00 -2.26 -0.13 0.00 0.00 0.00 0.00 46.02 43.64 1vch n GLY 148 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1vch s HIS 149 N -1.73 -0.25 -0.07 1.61 -3.43 -1.00 -3.78 115.29 106.63 1vch s HIS 149 Ca 0.00 0.59 -0.30 0.00 -0.80 0.00 0.00 55.06 54.55 1vch s HIS 149 Cb 0.00 0.09 -0.02 0.00 -1.43 0.00 0.00 32.58 31.22 1vch s HIS 149 CO 0.00 -0.18 1.02 0.08 -2.00 0.00 0.00 174.74 173.66 1vch s VAL 150 N -0.17 4.74 -1.16 -5.38 1.01 -1.26 -0.92 120.40 117.26 1vch s VAL 150 Ca -0.03 2.00 0.14 0.00 0.00 0.00 0.00 61.98 64.10 1vch s VAL 150 Cb -0.03 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1vch s VAL 150 CO 0.01 0.04 0.75 1.33 0.00 0.00 0.00 175.10 177.23 1vch n VAL 151 N 4.40 0.00 -3.60 2.92 0.24 0.39 -4.89 118.33 117.79 1vch n VAL 151 Ca 0.08 -0.30 -0.07 0.00 -2.04 0.00 0.00 64.34 62.01 1vch n VAL 151 Cb 0.49 1.13 -0.04 0.00 -1.47 0.00 0.00 33.84 33.95 1vch n VAL 151 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vch s ALA 152 N -1.91 -2.01 -0.12 2.33 0.00 -1.23 -4.93 121.76 113.89 1vch s ALA 152 Ca 0.10 1.68 -0.01 0.00 0.00 0.00 0.00 51.96 53.74 1vch s ALA 152 Cb 0.11 -0.89 0.03 0.00 0.00 0.00 0.00 23.12 22.37 1vch s ALA 152 CO 0.42 -0.33 -0.06 1.03 0.00 0.00 0.00 175.76 176.81 1vch s ARG 153 N -1.31 1.41 0.02 0.00 0.52 -1.26 -0.93 118.95 117.39 1vch s ARG 153 Ca 0.04 -0.25 0.07 0.00 -0.52 0.00 0.00 55.73 55.06 1vch s ARG 153 Cb -0.01 -1.59 -0.02 0.00 0.52 0.00 0.00 34.95 33.86 1vch s ARG 153 CO -0.03 -0.30 -0.20 -0.51 0.02 0.00 0.00 175.30 174.28 1vch s LEU 154 N 1.73 2.11 -0.03 2.53 1.43 0.55 -0.72 118.68 126.27 1vch s LEU 154 Ca 0.04 -0.44 -0.06 0.00 -1.03 0.00 0.00 54.13 52.65 1vch s LEU 154 Cb -0.13 -0.96 0.01 0.00 0.03 0.00 0.00 46.19 45.13 1vch s LEU 154 CO -0.08 0.19 0.13 0.00 0.23 0.00 0.00 176.35 176.83 1vch s ALA 155 N -0.64 -0.33 0.02 4.21 0.00 -0.44 -1.17 121.76 123.40 1vch s ALA 155 Ca 0.07 0.18 -0.26 0.00 0.00 0.00 0.00 51.96 51.96 1vch s ALA 155 Cb -0.08 -0.10 -0.17 0.00 0.00 0.00 0.00 23.12 22.77 1vch s ALA 155 CO 0.01 -0.12 1.28 0.28 0.00 0.00 0.00 175.76 177.21 1vch h VAL 156 N 4.69 0.68 -3.54 0.00 2.07 -1.17 -3.17 116.25 115.80 1vch h VAL 156 Ca -0.27 -0.53 -0.67 0.00 0.82 0.00 0.00 66.70 66.04 1vch h VAL 156 Cb 1.20 0.94 -0.16 0.00 -1.52 0.00 0.00 31.29 31.75 1vch h VAL 156 CO 0.41 0.10 -0.69 -0.36 0.02 0.00 0.00 177.57 177.06 1vch s PHE 157 N -4.82 2.94 -0.15 1.57 0.08 -0.22 -0.77 117.98 116.62 1vch s PHE 157 Ca -0.14 0.00 -0.02 0.00 0.12 0.00 0.00 56.93 56.88 1vch s PHE 157 Cb 0.02 -1.64 -0.02 0.00 -0.57 0.00 0.00 43.02 40.82 1vch s PHE 157 CO 0.55 0.39 -0.07 0.50 -0.10 0.00 0.00 175.22 176.49 1vch s ARG 158 N -1.38 3.52 -0.29 0.44 3.52 0.79 -1.38 118.95 124.16 1vch s ARG 158 Ca 0.17 -0.60 -0.03 0.00 -0.13 0.00 0.00 55.73 55.14 1vch s ARG 158 Cb -0.11 -2.82 0.04 0.00 -1.56 0.00 0.00 34.95 30.50 1vch s ARG 158 CO 0.07 0.17 0.01 -1.14 -0.81 0.00 0.00 175.30 173.60 1vch s GLN 159 N 0.52 2.64 4.34 5.12 0.74 0.12 -0.50 119.66 132.63 1vch s GLN 159 Ca -0.05 -1.13 0.00 0.00 0.05 0.00 0.00 55.36 54.22 1vch s GLN 159 Cb -0.15 -3.19 0.00 0.00 1.10 0.00 0.00 33.01 30.77 1vch s GLN 159 CO 0.03 -0.55 0.00 0.41 -0.55 0.00 0.00 175.29 174.64 1vch n GLY 160 N 4.69 1.01 3.18 2.59 0.00 -1.26 -4.35 105.19 111.05 1vch n GLY 160 Ca -0.14 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.75 1vch n GLY 160 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1vch s THR 161 N 0.00 3.22 0.44 2.61 -1.32 -1.26 -5.04 115.64 114.29 1vch s THR 161 Ca 0.00 -1.45 -0.25 0.00 -1.21 0.00 0.00 61.69 58.77 1vch s THR 161 Cb 0.00 -2.91 -0.09 0.00 -1.51 0.00 0.00 72.50 67.99 1vch s THR 161 CO 0.00 -0.23 1.41 -2.65 -2.21 0.00 0.00 174.62 170.94 1vch n PRO 162 N 4.66 2.21 -0.65 7.08 -0.02 -1.21 -4.78 135.00 142.29 1vch n PRO 162 Ca -0.11 0.79 -0.08 0.00 -2.02 0.00 0.00 63.50 62.08 1vch n PRO 162 Cb 0.43 -2.59 0.15 0.00 -0.02 0.00 0.00 33.50 31.47 1vch n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vch n GLY 163 N 0.61 3.07 3.55 -1.23 0.00 0.49 -4.84 105.19 106.84 1vch n GLY 163 Ca 0.05 -0.60 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 1vch n GLY 163 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1vch s LEU 164 N -1.81 -0.67 -0.14 0.99 2.96 -1.26 -5.01 118.68 113.74 1vch s LEU 164 Ca 0.33 0.88 -0.29 0.00 -0.22 0.00 0.00 54.13 54.83 1vch s LEU 164 Cb 0.27 2.50 -0.05 0.00 0.50 0.00 0.00 46.19 49.40 1vch s LEU 164 CO 0.07 -0.52 1.95 0.00 -1.32 0.00 0.00 176.35 176.54 1vch s ALA 165 N -0.82 3.17 -0.10 5.97 0.00 -1.26 -4.96 121.76 123.76 1vch s ALA 165 Ca -0.08 0.86 -0.04 0.00 0.00 0.00 0.00 51.96 52.69 1vch s ALA 165 Cb -0.01 -3.93 0.05 0.00 0.00 0.00 0.00 23.12 19.22 1vch s ALA 165 CO 0.08 -2.14 0.21 0.08 0.00 0.00 0.00 175.76 173.98 1vch s VAL 166 N 6.09 -0.16 0.02 0.00 1.01 -1.26 -4.73 120.40 121.37 1vch s VAL 166 Ca 0.87 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 62.78 1vch s VAL 166 Cb -0.34 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1vch s VAL 166 CO 0.35 0.09 1.02 -1.81 0.00 0.00 0.00 175.10 174.76 1vch s ASP 167 N 1.68 7.32 0.26 3.32 1.01 0.11 -4.91 116.67 125.46 1vch s ASP 167 Ca -0.05 1.74 0.04 0.00 0.71 0.00 0.00 52.55 54.99 1vch s ASP 167 Cb -0.11 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.19 1vch s ASP 167 CO -0.07 -0.29 0.02 0.42 0.21 0.00 0.00 175.17 175.46 1vch s THR 168 N 0.94 1.10 -0.25 -1.27 -4.23 -1.25 -1.32 115.64 109.34 1vch s THR 168 Ca 0.53 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 58.99 1vch s THR 168 Cb -0.23 -2.49 -0.15 0.00 1.34 0.00 0.00 72.50 70.96 1vch s THR 168 CO 0.28 -0.21 -0.25 0.52 -0.54 0.00 0.00 174.62 174.42 1vch n VAL 169 N -0.51 1.44 -4.16 2.29 0.31 0.05 -5.00 118.33 112.76 1vch n VAL 169 Ca -0.04 -0.51 -0.10 0.00 -0.01 0.00 0.00 64.34 63.68 1vch n VAL 169 Cb 0.65 -1.49 -0.10 0.00 -0.91 0.00 0.00 33.84 31.98 1vch n VAL 169 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vch s ALA 170 N -2.50 0.90 -0.13 3.52 0.00 -0.33 -5.04 121.76 118.18 1vch s ALA 170 Ca -0.35 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.17 1vch s ALA 170 Cb 0.10 0.68 -0.01 0.00 0.00 0.00 0.00 23.12 23.89 1vch s ALA 170 CO 0.55 -0.43 -0.14 -2.00 0.00 0.00 0.00 175.76 173.74 1vch s GLU 171 N -3.99 3.35 0.24 0.00 2.12 -1.26 -0.15 118.70 119.00 1vch s GLU 171 Ca 0.21 -0.71 -0.30 0.00 0.36 0.00 0.00 54.97 54.53 1vch s GLU 171 Cb 0.07 -2.59 -0.09 0.00 0.26 0.00 0.00 34.13 31.78 1vch s GLU 171 CO -0.00 0.21 0.95 -0.51 -0.54 0.00 0.00 175.26 175.37 1vch s LEU 172 N 0.35 4.64 0.89 2.70 1.43 0.34 -4.89 118.68 124.15 1vch s LEU 172 Ca -0.12 1.96 -0.14 0.00 -1.03 0.00 0.00 54.13 54.80 1vch s LEU 172 Cb -0.16 -3.61 0.15 0.00 0.03 0.00 0.00 46.19 42.60 1vch s LEU 172 CO 0.06 0.14 1.25 -2.16 0.23 0.00 0.00 176.35 175.87 1vch s PRO 173 N -1.14 1.23 -0.11 1.29 0.04 -1.26 -4.56 135.00 130.50 1vch s PRO 173 Ca 0.41 -0.21 -0.00 0.00 0.04 0.00 0.00 61.00 61.24 1vch s PRO 173 Cb -0.26 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.40 1vch s PRO 173 CO 0.32 -2.04 -0.08 0.08 0.04 0.00 0.00 177.00 175.33 1vch s VAL 174 N -3.74 1.00 -1.29 -0.36 1.01 -1.26 -4.48 120.40 111.28 1vch s VAL 174 Ca 0.69 -0.28 0.10 0.00 0.00 0.00 0.00 61.98 62.49 1vch s VAL 174 Cb -0.07 -1.01 0.08 0.00 0.00 0.00 0.00 36.38 35.38 1vch s VAL 174 CO 0.51 0.36 0.83 0.18 0.00 0.00 0.00 175.10 176.98