#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vch s THR 3 N 0.00 3.61 -0.20 2.62 2.01 -1.26 -2.60 115.64 119.82 1vch s THR 3 Ca 0.00 -1.51 -0.12 0.00 0.31 0.00 0.00 61.69 60.37 1vch s THR 3 Cb 0.00 -3.15 0.06 0.00 0.01 0.00 0.00 72.50 69.42 1vch s THR 3 CO 0.00 -0.24 0.49 -0.47 -0.69 0.00 0.00 174.62 173.71 1vch s TYR 4 N -2.30 -0.70 0.58 4.92 6.14 -0.88 -4.91 117.35 120.20 1vch s TYR 4 Ca 0.37 1.49 -0.19 0.00 0.64 0.00 0.00 57.07 59.38 1vch s TYR 4 Cb -0.06 0.34 -0.04 0.00 0.42 0.00 0.00 41.96 42.62 1vch s TYR 4 CO 0.25 -0.37 1.21 -2.14 0.64 0.00 0.00 175.55 175.13 1vch s PRO 5 N 1.25 3.08 -0.01 4.97 0.02 -1.26 -1.65 135.00 141.40 1vch s PRO 5 Ca -0.08 1.83 0.00 0.00 0.02 0.00 0.00 61.00 62.78 1vch s PRO 5 Cb -0.07 -1.99 0.01 0.00 0.02 0.00 0.00 34.50 32.47 1vch s PRO 5 CO -0.12 -1.12 0.01 0.42 -0.33 0.00 0.00 177.00 175.85 1vch s ILE 6 N -1.58 0.03 -0.00 2.83 1.01 -0.15 -4.89 121.20 118.45 1vch s ILE 6 Ca 0.76 0.08 -0.03 0.00 0.00 0.00 0.00 60.65 61.45 1vch s ILE 6 Cb -0.30 -0.10 -0.00 0.00 0.01 0.00 0.00 42.46 42.06 1vch s ILE 6 CO 0.34 0.06 0.06 0.42 0.00 0.00 0.00 174.94 175.82 1vch s THR 7 N 0.54 0.07 -0.18 2.92 -4.23 -1.26 0.02 115.64 113.52 1vch s THR 7 Ca -0.05 -0.55 -0.18 0.00 -1.18 0.00 0.00 61.69 59.74 1vch s THR 7 Cb -0.07 -0.27 0.05 0.00 1.34 0.00 0.00 72.50 73.55 1vch s THR 7 CO -0.01 -0.30 0.50 0.68 -0.54 0.00 0.00 174.62 174.94 1vch s VAL 8 N -0.95 0.00 0.00 2.29 -7.23 -0.94 -4.91 120.40 108.66 1vch s VAL 8 Ca -0.10 -0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.05 1vch s VAL 8 Cb -0.06 -0.70 0.00 0.00 0.56 0.00 0.00 36.38 36.18 1vch s VAL 8 CO 0.00 -0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1vch n GLY 9 N 2.69 0.08 0.00 2.32 0.00 -1.26 -0.76 105.19 108.26 1vch n GLY 9 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.29 -0.23 3.70 -0.02 0.00 -1.26 -5.12 105.19 101.98 1vch n GLY 10 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 5.23 -0.03 1.61 1.01 0.06 -5.08 120.40 123.20 1vch s VAL 11 Ca 0.00 0.74 0.01 0.00 0.00 0.00 0.00 61.98 62.73 1vch s VAL 11 Cb 0.00 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1vch s VAL 11 CO 0.00 0.32 -0.01 -0.89 0.00 0.00 0.00 175.10 174.51 1vch s THR 12 N 0.84 4.08 -0.02 3.92 2.01 -1.26 -2.21 115.64 123.00 1vch s THR 12 Ca 0.21 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.68 1vch s THR 12 Cb -0.14 -2.77 0.01 0.00 0.01 0.00 0.00 72.50 69.61 1vch s THR 12 CO 0.07 0.45 -0.02 -0.13 -0.69 0.00 0.00 174.62 174.31 1vch s ARG 13 N -1.31 0.29 -0.78 4.92 1.81 0.10 -4.94 118.95 119.04 1vch s ARG 13 Ca 0.17 -0.02 -0.21 0.00 -1.72 0.00 0.00 55.73 53.95 1vch s ARG 13 Cb -0.11 -0.38 0.09 0.00 -0.45 0.00 0.00 34.95 34.10 1vch s ARG 13 CO 0.07 -0.04 1.05 -1.01 -0.68 0.00 0.00 175.30 174.69 1vch s HIS 14 N 0.50 2.85 -0.09 -0.53 3.76 -1.26 -0.98 115.29 119.54 1vch s HIS 14 Ca -0.05 -0.91 -0.25 0.00 -0.15 0.00 0.00 55.06 53.71 1vch s HIS 14 Cb -0.08 -4.31 -0.03 0.00 1.11 0.00 0.00 32.58 29.28 1vch s HIS 14 CO -0.01 -1.60 0.78 0.08 -0.85 0.00 0.00 174.74 173.15 1vch s VAL 15 N 3.55 4.97 0.43 -0.90 1.01 -0.66 -4.81 120.40 124.00 1vch s VAL 15 Ca 0.27 1.59 -0.26 0.00 0.00 0.00 0.00 61.98 63.59 1vch s VAL 15 Cb -0.11 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 1vch s VAL 15 CO 0.01 0.17 1.44 -2.65 0.00 0.00 0.00 175.10 174.07 1vch n PRO 16 N 4.23 2.33 -3.38 2.72 -0.02 -1.26 -2.07 135.00 137.55 1vch n PRO 16 Ca 0.02 0.83 -0.38 0.00 -2.02 0.00 0.00 63.50 61.95 1vch n PRO 16 Cb 0.51 -2.63 -0.06 0.00 -0.02 0.00 0.00 33.50 31.30 1vch n PRO 16 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1vch s LEU 17 N -2.48 4.35 0.31 2.45 1.43 -1.07 -2.46 118.68 121.21 1vch s LEU 17 Ca 0.59 0.87 0.09 0.00 -1.03 0.00 0.00 54.13 54.65 1vch s LEU 17 Cb -0.46 -2.65 -0.05 0.00 0.03 0.00 0.00 46.19 43.06 1vch s LEU 17 CO 0.59 0.13 0.00 0.27 0.23 0.00 0.00 176.35 177.57 1vch s ILE 18 N -0.02 2.91 -0.57 -0.59 -4.36 -0.89 -4.96 121.20 112.71 1vch s ILE 18 Ca 0.25 -1.96 0.05 0.00 -0.26 0.00 0.00 60.65 58.73 1vch s ILE 18 Cb -0.16 -2.78 0.20 0.00 1.25 0.00 0.00 42.46 40.97 1vch s ILE 18 CO 0.11 -0.27 0.52 1.21 0.24 0.00 0.00 174.94 176.75 1vch n GLU 19 N -0.93 1.42 -0.04 0.37 2.13 -1.26 -1.65 120.64 120.68 1vch n GLU 19 Ca -0.05 -4.01 0.13 0.00 0.66 0.00 0.00 57.16 53.89 1vch n GLU 19 Cb 0.61 -1.96 0.55 0.00 0.27 0.00 0.00 31.44 30.91 1vch n GLU 19 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1vch h PRO 20 N 4.94 0.29 -5.37 5.31 0.13 -1.96 -3.41 132.00 131.93 1vch h PRO 20 Ca 0.18 -0.02 -0.43 0.00 -0.87 0.00 0.00 66.00 64.86 1vch h PRO 20 Cb 0.79 -0.07 -0.22 0.00 0.13 0.00 0.00 31.00 31.63 1vch h PRO 20 CO 0.62 0.19 -0.79 -0.51 -0.23 0.00 0.00 178.00 177.29 1vch s LEU 21 N -9.21 2.25 0.23 1.56 1.43 -1.25 -5.09 118.68 108.61 1vch s LEU 21 Ca -0.07 -0.57 -0.31 0.00 -1.03 0.00 0.00 54.13 52.15 1vch s LEU 21 Cb 0.19 -0.55 -0.11 0.00 0.03 0.00 0.00 46.19 45.75 1vch s LEU 21 CO 0.74 -0.04 1.63 -2.84 0.23 0.00 0.00 176.35 176.07 1vch s PRO 22 N -1.57 4.15 0.00 1.29 0.02 -1.26 -1.62 135.00 136.01 1vch s PRO 22 Ca -0.01 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.55 1vch s PRO 22 Cb -0.09 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.36 1vch s PRO 22 CO 0.02 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.44 1vch n GLY 23 N 3.16 0.86 2.85 0.52 0.00 -1.26 -4.99 105.19 106.34 1vch n GLY 23 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.02 1.17 -0.09 1.61 0.52 -0.64 -4.96 118.95 116.54 1vch s ARG 24 Ca 0.00 -1.02 -0.01 0.00 -0.52 0.00 0.00 55.73 54.19 1vch s ARG 24 Cb 0.00 -2.41 -0.03 0.00 0.52 0.00 0.00 34.95 33.03 1vch s ARG 24 CO 0.00 -0.75 -0.03 1.03 0.02 0.00 0.00 175.30 175.57 1vch s ARG 25 N 1.48 2.95 0.18 3.54 0.52 -1.26 -3.60 118.95 122.77 1vch s ARG 25 Ca 0.01 -0.47 0.04 0.00 -0.52 0.00 0.00 55.73 54.80 1vch s ARG 25 Cb -0.18 -2.72 -0.05 0.00 0.52 0.00 0.00 34.95 32.52 1vch s ARG 25 CO -0.12 0.64 -0.07 0.96 0.02 0.00 0.00 175.30 176.73 1vch s ILE 26 N -0.74 1.18 0.25 1.52 -4.36 -0.66 0.49 121.20 118.88 1vch s ILE 26 Ca 0.11 -2.07 -0.30 0.00 -0.26 0.00 0.00 60.65 58.14 1vch s ILE 26 Cb -0.11 -2.03 -0.09 0.00 1.25 0.00 0.00 42.46 41.47 1vch s ILE 26 CO 0.02 -0.59 1.05 -2.84 0.24 0.00 0.00 174.94 172.81 1vch s PRO 27 N -3.78 4.70 -0.63 0.37 0.02 -1.26 -2.10 135.00 132.32 1vch s PRO 27 Ca 0.21 1.68 -0.17 0.00 0.02 0.00 0.00 61.00 62.74 1vch s PRO 27 Cb 0.03 -3.24 0.13 0.00 0.02 0.00 0.00 34.50 31.45 1vch s PRO 27 CO 0.04 0.28 0.68 -1.17 -0.33 0.00 0.00 177.00 176.50 1vch s LEU 28 N -1.15 5.80 -0.39 -5.54 2.96 -1.03 -4.90 118.68 114.42 1vch s LEU 28 Ca 0.44 -1.75 -0.29 0.00 -0.22 0.00 0.00 54.13 52.31 1vch s LEU 28 Cb -0.29 -2.27 0.02 0.00 0.50 0.00 0.00 46.19 44.14 1vch s LEU 28 CO 0.37 -0.96 1.25 -0.69 -1.32 0.00 0.00 176.35 175.00 1vch s VAL 29 N 2.01 4.13 -0.05 1.68 1.01 -1.26 -4.59 120.40 123.33 1vch s VAL 29 Ca 0.11 1.21 0.02 0.00 0.00 0.00 0.00 61.98 63.32 1vch s VAL 29 Cb -0.23 -4.35 0.02 0.00 0.00 0.00 0.00 36.38 31.82 1vch s VAL 29 CO 0.02 -0.74 -0.09 -1.83 0.00 0.00 0.00 175.10 172.46 1vch s GLU 30 N 4.43 1.36 0.49 2.72 -1.05 -1.26 -5.00 118.70 120.38 1vch s GLU 30 Ca 0.54 -0.30 0.09 0.00 -0.15 0.00 0.00 54.97 55.14 1vch s GLU 30 Cb -0.12 -1.18 0.04 0.00 -0.44 0.00 0.00 34.13 32.43 1vch s GLU 30 CO 0.28 0.00 0.63 -0.06 0.95 0.00 0.00 175.26 177.06 1vch s PHE 31 N 0.70 2.20 -0.17 4.83 0.08 -1.26 -5.07 117.98 119.28 1vch s PHE 31 Ca -0.13 -0.56 0.14 0.00 0.12 0.00 0.00 56.93 56.51 1vch s PHE 31 Cb -0.15 -2.27 0.36 0.00 -0.57 0.00 0.00 43.02 40.40 1vch s PHE 31 CO 0.02 -0.68 1.19 -3.68 -0.10 0.00 0.00 175.22 171.97 1vch n PRO 35 N -1.97 1.44 -0.21 0.24 -0.07 -1.26 -4.96 135.00 128.21 1vch n PRO 35 Ca 0.10 -2.99 -0.04 0.00 -0.07 0.00 0.00 63.50 60.51 1vch n PRO 35 Cb 0.61 -1.55 0.02 0.00 -0.07 0.00 0.00 33.50 32.51 1vch n PRO 35 CO 0.00 0.00 0.00 1.49 -0.07 0.00 0.00 175.50 176.92 1vch h GLU 36 N 0.59 -0.12 -0.07 0.58 4.81 -2.03 6.93 114.58 125.27 1vch h GLU 36 Ca -0.00 0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 1vch h GLU 36 Cb 1.01 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 1vch h GLU 36 CO 0.00 -0.08 -0.66 0.35 -0.73 0.00 0.00 179.01 177.90 1vch h PHE 37 N -0.12 0.40 0.04 0.92 3.57 -1.98 0.07 116.94 119.84 1vch h PHE 37 Ca 0.26 -0.16 -0.22 0.00 3.53 0.00 0.00 57.97 61.38 1vch h PHE 37 Cb 0.54 -0.07 0.02 0.00 2.79 0.00 0.00 35.95 39.23 1vch h PHE 37 CO -0.62 0.87 -0.87 1.15 -2.23 0.00 0.00 178.31 176.61 1vch h THR 38 N 0.22 1.37 -0.41 4.41 2.02 -1.10 -2.16 112.91 117.25 1vch h THR 38 Ca -0.01 -2.25 -0.04 0.00 0.77 0.00 0.00 66.41 64.88 1vch h THR 38 Cb 1.19 2.62 -0.02 0.00 -1.74 0.00 0.00 68.15 70.21 1vch h THR 38 CO 0.11 0.67 0.10 -0.09 0.37 0.00 0.00 175.52 176.68 1vch h ARG 39 N 0.08 0.65 -0.38 6.66 2.43 1.43 2.43 114.38 127.68 1vch h ARG 39 Ca -0.12 -0.16 0.08 0.00 -0.81 0.00 0.00 59.98 58.97 1vch h ARG 39 Cb 1.57 -0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 30.96 1vch h ARG 39 CO 0.17 0.67 -0.11 0.00 -1.51 0.00 0.00 179.97 179.19 1vch h ALA 40 N 0.95 0.23 -0.23 2.80 0.00 -1.00 0.79 119.26 122.80 1vch h ALA 40 Ca 0.13 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1vch h ALA 40 Cb 0.31 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1vch h ALA 40 CO 0.00 -0.47 0.12 0.00 0.00 0.00 0.00 179.25 178.90 1vch h ALA 41 N 1.35 0.29 -0.37 0.00 0.00 -0.67 -1.74 119.26 118.12 1vch h ALA 41 Ca 0.18 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1vch h ALA 41 Cb 0.30 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1vch h ALA 41 CO -0.40 -0.16 -0.28 0.00 0.00 0.00 0.00 179.25 178.41 1vch h ALA 42 N 0.99 -0.38 -0.56 0.00 0.00 0.69 0.12 119.26 120.12 1vch h ALA 42 Ca 0.08 0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.16 1vch h ALA 42 Cb 0.10 1.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1vch h ALA 42 CO -0.01 -0.55 0.39 0.93 0.00 0.00 0.00 179.25 180.01 1vch h GLU 43 N -0.08 0.17 -0.15 0.00 5.08 0.57 -2.29 114.58 117.88 1vch h GLU 43 Ca 0.06 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 1vch h GLU 43 Cb 0.24 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1vch h GLU 43 CO -0.39 0.11 -0.22 0.00 -1.00 0.00 0.00 179.01 177.51 1vch h ALA 44 N 1.72 0.23 -0.60 3.43 0.00 0.09 -3.35 119.26 120.78 1vch h ALA 44 Ca 0.27 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1vch h ALA 44 Cb 0.82 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1vch h ALA 44 CO -0.04 0.18 0.08 -0.07 0.00 0.00 0.00 179.25 179.40 1vch h LEU 45 N 0.03 0.96 -0.31 0.00 3.38 -0.47 -3.40 115.31 115.50 1vch h LEU 45 Ca 0.01 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.74 1vch h LEU 45 Cb 0.79 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1vch h LEU 45 CO 0.05 0.99 -0.18 -1.14 0.09 0.00 0.00 178.44 178.25 1vch n ARG 46 N -4.29 -0.13 0.00 1.13 0.63 -1.14 -1.26 116.66 111.60 1vch n ARG 46 Ca 0.03 1.08 0.00 0.00 -0.92 0.00 0.00 57.85 58.04 1vch n ARG 46 Cb 0.29 -1.61 0.00 0.00 0.45 0.00 0.00 32.46 31.59 1vch n ARG 46 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1vch n PRO 47 N -3.66 0.00 0.02 -0.14 -0.02 -1.26 0.16 135.00 130.09 1vch n PRO 47 Ca 0.01 0.03 0.04 0.00 -2.02 0.00 0.00 63.50 61.56 1vch n PRO 47 Cb 0.08 -1.55 -0.10 0.00 -0.02 0.00 0.00 33.50 31.91 1vch n PRO 47 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1vch n LEU 48 N -0.77 0.52 -4.61 2.45 4.77 -0.39 -4.88 117.00 114.10 1vch n LEU 48 Ca 0.00 0.22 -0.43 0.00 -0.03 0.00 0.00 56.01 55.77 1vch n LEU 48 Cb 0.05 0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1vch n LEU 48 CO 0.00 0.08 1.60 -0.69 -1.33 0.00 0.00 177.39 177.05 1vch s VAL 49 N -3.11 3.36 -0.23 4.08 1.01 0.41 -4.83 120.40 121.09 1vch s VAL 49 Ca -0.05 0.38 -0.02 0.00 0.00 0.00 0.00 61.98 62.29 1vch s VAL 49 Cb 0.10 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 1vch s VAL 49 CO 0.83 -0.26 1.44 -2.65 0.00 0.00 0.00 175.10 174.47 1vch n PRO 50 N 8.35 0.78 -0.30 2.72 -0.02 -1.26 -4.75 135.00 140.52 1vch n PRO 50 Ca 0.24 -0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.09 1vch n PRO 50 Cb 0.46 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1vch n PRO 50 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1vch n LYS 51 N 3.79 0.00 0.00 -0.52 4.01 -1.26 -2.87 118.16 121.31 1vch n LYS 51 Ca 0.17 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.97 1vch n LYS 51 Cb 0.15 -0.30 0.00 0.00 -0.51 0.00 0.00 35.03 34.37 1vch n LYS 51 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1vch n GLU 52 N 1.20 0.00 -2.01 1.97 1.02 -1.26 -5.09 120.64 116.47 1vch n GLU 52 Ca 0.00 -0.08 -0.41 0.00 -0.02 0.00 0.00 57.16 56.65 1vch n GLU 52 Cb 0.11 -0.12 -0.02 0.00 -0.02 0.00 0.00 31.44 31.39 1vch n GLU 52 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1vch s ALA 53 N 0.00 3.56 0.00 0.62 0.00 -1.14 -4.75 121.76 120.05 1vch s ALA 53 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1vch s ALA 53 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1vch s ALA 53 CO 0.00 -0.77 0.00 0.39 0.00 0.00 0.00 175.76 175.38 1vch n GLU 54 N 1.22 0.06 -3.73 0.00 1.02 -0.93 -5.04 120.64 113.23 1vch n GLU 54 Ca 0.02 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.04 1vch n GLU 54 Cb 0.41 -0.98 -0.11 0.00 -0.02 0.00 0.00 31.44 30.73 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 -1.96 -0.02 0.12 -3.67 2.07 -1.18 -3.57 121.20 112.98 1vch s ILE 55 Ca 0.00 0.07 -0.18 0.00 -1.41 0.00 0.00 60.65 59.13 1vch s ILE 55 Cb 0.00 -0.49 -0.07 0.00 0.13 0.00 0.00 42.46 42.03 1vch s ILE 55 CO 0.00 0.03 0.59 -0.76 -1.91 0.00 0.00 174.94 172.89 1vch s LEU 56 N 0.88 4.45 -0.28 8.50 1.43 -0.18 -2.03 118.68 131.44 1vch s LEU 56 Ca -0.06 1.25 0.02 0.00 -1.03 0.00 0.00 54.13 54.31 1vch s LEU 56 Cb -0.07 -3.11 0.07 0.00 0.03 0.00 0.00 46.19 43.11 1vch s LEU 56 CO -0.06 0.19 -0.04 0.12 0.23 0.00 0.00 176.35 176.79 1vch s PHE 57 N -1.27 3.07 0.31 0.29 5.36 0.33 -1.27 117.98 124.80 1vch s PHE 57 Ca 0.34 -2.32 0.05 0.00 -0.96 0.00 0.00 56.93 54.03 1vch s PHE 57 Cb -0.18 -2.10 -0.06 0.00 -0.34 0.00 0.00 43.02 40.34 1vch s PHE 57 CO 0.20 -0.87 0.02 -0.08 -1.46 0.00 0.00 175.22 173.03 1vch s THR 58 N 1.16 1.32 0.13 0.12 -1.32 -0.94 -1.13 115.64 114.98 1vch s THR 58 Ca -0.01 -2.03 0.10 0.00 -1.21 0.00 0.00 61.69 58.53 1vch s THR 58 Cb -0.19 -2.68 -0.04 0.00 -1.51 0.00 0.00 72.50 68.08 1vch s THR 58 CO -0.07 -0.11 -0.22 -0.89 -2.21 0.00 0.00 174.62 171.12 1vch s THR 59 N -3.21 2.55 0.33 5.08 2.01 -1.26 -2.25 115.64 118.89 1vch s THR 59 Ca 0.34 -1.65 -0.29 0.00 0.31 0.00 0.00 61.69 60.40 1vch s THR 59 Cb 0.07 -2.16 -0.12 0.00 0.01 0.00 0.00 72.50 70.31 1vch s THR 59 CO 0.14 0.08 1.50 1.21 -0.69 0.00 0.00 174.62 176.86 1vch n GLU 60 N 0.82 2.57 -0.01 4.92 2.13 -0.79 -3.74 120.64 126.54 1vch n GLU 60 Ca -0.17 0.91 -0.04 0.00 0.66 0.00 0.00 57.16 58.53 1vch n GLU 60 Cb 0.53 -2.63 -0.01 0.00 0.27 0.00 0.00 31.44 29.59 1vch n GLU 60 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1vch n THR 61 N 1.21 0.58 -0.42 6.31 -1.04 -1.26 -4.84 114.28 114.81 1vch n THR 61 Ca 0.05 0.08 0.36 0.00 -2.04 0.00 0.00 64.05 62.50 1vch n THR 61 Cb 0.37 -1.61 0.67 0.00 -1.82 0.00 0.00 70.33 67.94 1vch n THR 61 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1vch h SER 62 N -0.16 0.19 0.50 8.00 0.02 -1.97 0.13 113.55 120.27 1vch h SER 62 Ca -0.08 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1vch h SER 62 Cb 0.79 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1vch h SER 62 CO -0.05 -0.04 0.00 -2.65 -1.14 0.00 0.00 176.83 172.95 1vch n PRO 63 N -4.43 0.08 0.22 3.45 -0.02 -1.25 -3.69 135.00 129.36 1vch n PRO 63 Ca 0.32 0.18 -0.12 0.00 -2.02 0.00 0.00 63.50 61.87 1vch n PRO 63 Cb 1.34 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 33.26 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 0.30 -0.53 4.25 2.04 -0.89 -1.61 117.51 121.07 1vch h ILE 64 Ca 0.00 -0.57 0.09 0.00 1.00 0.00 0.00 64.86 65.38 1vch h ILE 64 Cb 0.25 0.46 -0.10 0.00 -0.74 0.00 0.00 36.82 36.69 1vch h ILE 64 CO 0.00 0.06 -0.41 1.55 0.00 0.00 0.00 178.15 179.35 1vch h PRO 65 N -1.04 -0.23 -0.71 2.37 0.13 -1.75 0.42 132.00 131.19 1vch h PRO 65 Ca -0.06 0.02 0.16 0.00 -0.87 0.00 0.00 66.00 65.24 1vch h PRO 65 Cb 0.56 0.05 -0.12 0.00 0.13 0.00 0.00 31.00 31.62 1vch h PRO 65 CO 0.10 -0.15 0.05 1.25 -0.23 0.00 0.00 178.00 179.02 1vch h LEU 66 N -0.24 -0.23 -0.43 1.56 5.85 -1.71 -1.90 115.31 118.21 1vch h LEU 66 Ca 0.18 0.17 -0.17 0.00 0.84 0.00 0.00 57.88 58.90 1vch h LEU 66 Cb 0.57 0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 1vch h LEU 66 CO -0.65 -0.12 -0.51 0.74 -0.34 0.00 0.00 178.44 177.55 1vch h THR 67 N 0.15 1.29 0.00 1.05 2.02 0.34 -3.11 112.91 114.65 1vch h THR 67 Ca 0.39 -1.72 -0.04 0.00 0.77 0.00 0.00 66.41 65.81 1vch h THR 67 Cb 0.67 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 1vch h THR 67 CO -0.59 0.55 -0.17 -0.74 0.37 0.00 0.00 175.52 174.95 1vch h HIS 68 N 0.57 0.00 -0.07 3.16 -0.00 0.48 0.21 115.15 119.50 1vch h HIS 68 Ca 0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.32 1vch h HIS 68 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.50 1vch h HIS 68 CO 0.06 0.17 -0.24 -0.24 -0.00 0.00 0.00 177.93 177.68 1vch h VAL 69 N 0.00 1.43 0.83 5.26 3.04 -1.45 -2.89 116.25 122.47 1vch h VAL 69 Ca -0.00 -1.62 -0.04 0.00 -1.01 0.00 0.00 66.70 64.03 1vch h VAL 69 Cb 0.31 2.28 0.01 0.00 -2.01 0.00 0.00 31.29 31.88 1vch h VAL 69 CO 0.02 0.46 -0.40 -0.07 -1.01 0.00 0.00 177.57 176.57 1vch h LEU 70 N -0.21 -0.95 -0.83 3.16 3.38 -1.43 -3.18 115.31 115.25 1vch h LEU 70 Ca -0.01 0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.19 1vch h LEU 70 Cb 0.86 0.24 -0.16 0.00 0.09 0.00 0.00 40.66 41.70 1vch h LEU 70 CO 0.05 -0.60 -0.11 0.00 0.09 0.00 0.00 178.44 177.87 1vch n ALA 71 N -2.67 0.30 -1.97 1.53 0.00 0.72 -5.11 120.51 113.31 1vch n ALA 71 Ca -0.14 0.91 -0.42 0.00 0.00 0.00 0.00 53.44 53.79 1vch n ALA 71 Cb 0.44 -0.60 -0.00 0.00 0.00 0.00 0.00 19.45 19.29 1vch n ALA 71 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1vch n GLU 72 N -5.29 2.87 -2.64 0.00 2.13 -1.09 -4.96 120.64 111.66 1vch n GLU 72 Ca 0.16 -2.77 -0.22 0.00 0.66 0.00 0.00 57.16 54.99 1vch n GLU 72 Cb 0.52 -3.35 0.11 0.00 0.27 0.00 0.00 31.44 28.99 1vch n GLU 72 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1vch n PRO 77 N 6.87 0.07 -3.66 5.31 -0.04 -1.23 -5.06 135.00 137.26 1vch n PRO 77 Ca 0.51 -2.79 -0.12 0.00 -0.04 0.00 0.00 63.50 61.06 1vch n PRO 77 Cb 0.41 -0.55 -0.06 0.00 -0.04 0.00 0.00 33.50 33.26 1vch n PRO 77 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1vch s TYR 78 N -2.93 -0.22 0.09 0.54 1.13 -1.26 -1.01 117.35 113.68 1vch s TYR 78 Ca 0.64 0.04 0.07 0.00 -1.41 0.00 0.00 57.07 56.42 1vch s TYR 78 Cb -0.04 0.23 -0.03 0.00 -1.10 0.00 0.00 41.96 41.01 1vch s TYR 78 CO 0.42 -0.63 -0.18 0.14 -2.51 0.00 0.00 175.55 172.79 1vch s VAL 79 N -3.13 1.50 -0.15 -3.49 -7.23 -0.39 -4.94 120.40 102.58 1vch s VAL 79 Ca -0.01 -1.47 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 1vch s VAL 79 Cb 0.01 -1.39 0.03 0.00 0.56 0.00 0.00 36.38 35.58 1vch s VAL 79 CO -0.07 -0.12 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.81 1vch s VAL 80 N -1.22 1.32 0.55 1.32 1.01 -1.26 -2.20 120.40 119.92 1vch s VAL 80 Ca 0.04 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 1vch s VAL 80 Cb -0.10 -1.35 -0.06 0.00 0.00 0.00 0.00 36.38 34.88 1vch s VAL 80 CO 0.04 0.31 1.01 0.00 0.00 0.00 0.00 175.10 176.46 1vch s ALA 81 N 1.57 2.98 0.31 5.51 0.00 -0.96 -4.70 121.76 126.48 1vch s ALA 81 Ca 0.03 0.19 0.09 0.00 0.00 0.00 0.00 51.96 52.27 1vch s ALA 81 Cb -0.14 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 1vch s ALA 81 CO -0.09 -0.47 0.08 1.03 0.00 0.00 0.00 175.76 176.31 1vch s ARG 82 N -4.26 2.33 0.00 0.00 1.81 0.11 -1.89 118.95 117.04 1vch s ARG 82 Ca 0.59 -1.52 0.20 0.00 -1.72 0.00 0.00 55.73 53.29 1vch s ARG 82 Cb -0.12 -2.15 0.43 0.00 -0.45 0.00 0.00 34.95 32.66 1vch s ARG 82 CO 0.37 0.20 1.37 0.54 -0.68 0.00 0.00 175.30 177.09 1vch n ARG 83 N -1.05 2.46 -3.54 3.54 1.74 -1.26 0.11 116.66 118.66 1vch n ARG 83 Ca -0.04 -2.26 -0.13 0.00 -0.77 0.00 0.00 57.85 54.65 1vch n ARG 83 Cb 0.61 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.54 1vch n ARG 83 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1vch s ARG 84 N -1.25 1.10 0.24 5.56 0.52 -1.26 -4.59 118.95 119.26 1vch s ARG 84 Ca 0.37 -0.31 -0.30 0.00 -0.52 0.00 0.00 55.73 54.96 1vch s ARG 84 Cb 0.21 0.50 -0.09 0.00 0.52 0.00 0.00 34.95 36.09 1vch s ARG 84 CO 0.28 -0.42 1.34 -0.98 0.02 0.00 0.00 175.30 175.54 1vch s ARG 85 N -2.84 4.35 -0.08 3.54 1.70 -1.26 -4.79 118.95 119.57 1vch s ARG 85 Ca -0.03 2.15 -0.09 0.00 -0.47 0.00 0.00 55.73 57.29 1vch s ARG 85 Cb -0.00 -3.15 -0.05 0.00 -0.57 0.00 0.00 34.95 31.18 1vch s ARG 85 CO -0.05 -0.28 0.22 0.50 -1.08 0.00 0.00 175.30 174.61 1vch s ARG 86 N -0.47 3.58 0.36 3.89 3.52 -1.26 -5.04 118.95 123.54 1vch s ARG 86 Ca 0.56 0.02 -0.25 0.00 -0.13 0.00 0.00 55.73 55.93 1vch s ARG 86 Cb -0.38 -3.19 -0.13 0.00 -1.56 0.00 0.00 34.95 29.69 1vch s ARG 86 CO 0.42 0.75 0.87 -2.30 -0.81 0.00 0.00 175.30 174.23 1vch n PRO 87 N 1.86 1.09 -2.02 5.12 -0.02 -1.26 -2.57 135.00 137.20 1vch n PRO 87 Ca -0.18 0.39 -0.17 0.00 -2.02 0.00 0.00 63.50 61.53 1vch n PRO 87 Cb 0.54 -1.79 -0.03 0.00 -0.02 0.00 0.00 33.50 32.20 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 -0.31 -0.51 -2.72 6.00 4.01 -1.26 -4.97 117.16 117.40 1vch n TYR 88 Ca 0.10 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.42 1vch n TYR 88 Cb 0.36 -3.19 -0.03 0.00 -0.31 0.00 0.00 39.34 36.17 1vch n TYR 88 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 1vch s MET 89 N -4.32 4.32 -0.03 -0.72 1.75 -1.06 -5.03 119.30 114.20 1vch s MET 89 Ca 0.00 1.29 -0.19 0.00 -1.25 0.00 0.00 55.69 55.55 1vch s MET 89 Cb 0.00 -3.59 -0.05 0.00 2.84 0.00 0.00 34.83 34.03 1vch s MET 89 CO 0.00 -0.46 0.52 -1.21 -0.65 0.00 0.00 175.02 173.22 1vch s GLU 90 N 2.56 4.23 0.00 4.11 2.02 -1.26 -4.76 118.70 125.61 1vch s GLU 90 Ca 0.44 0.58 0.00 0.00 0.02 0.00 0.00 54.97 56.01 1vch s GLU 90 Cb -0.16 -3.34 0.00 0.00 0.10 0.00 0.00 34.13 30.73 1vch s GLU 90 CO 0.12 0.39 0.00 -3.47 0.02 0.00 0.00 175.26 172.32 1vch n ASP 91 N 2.76 0.00 -4.94 -0.19 2.03 -1.26 -4.04 116.55 110.91 1vch n ASP 91 Ca -0.09 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 54.97 1vch n ASP 91 Cb 0.51 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.89 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 3.51 -0.15 -0.67 0.04 -1.26 -3.51 135.00 132.95 1vch s PRO 92 Ca 0.00 -0.36 -0.29 0.00 0.04 0.00 0.00 61.00 60.38 1vch s PRO 92 Cb 0.00 -2.76 -0.01 0.00 0.04 0.00 0.00 34.50 31.77 1vch s PRO 92 CO 0.00 0.29 1.07 0.42 0.04 0.00 0.00 177.00 178.82 1vch s ILE 93 N -2.07 4.63 -0.19 0.56 1.01 0.21 -4.85 121.20 120.51 1vch s ILE 93 Ca 0.39 1.94 -0.03 0.00 0.00 0.00 0.00 60.65 62.94 1vch s ILE 93 Cb -0.10 -4.25 -0.02 0.00 0.01 0.00 0.00 42.46 38.10 1vch s ILE 93 CO 0.32 -0.08 -0.05 -0.63 0.00 0.00 0.00 174.94 174.50 1vch s ILE 94 N 2.61 3.55 -0.04 2.92 1.01 -1.26 -0.94 121.20 129.04 1vch s ILE 94 Ca 0.48 -0.46 -0.03 0.00 0.00 0.00 0.00 60.65 60.65 1vch s ILE 94 Cb -0.18 -2.58 0.02 0.00 0.01 0.00 0.00 42.46 39.73 1vch s ILE 94 CO 0.14 0.46 0.10 -1.58 0.00 0.00 0.00 174.94 174.05 1vch s GLN 95 N 0.95 0.08 0.56 2.79 2.00 -1.01 -5.05 119.66 119.97 1vch s GLN 95 Ca -0.00 0.21 -0.06 0.00 -2.00 0.00 0.00 55.36 53.51 1vch s GLN 95 Cb -0.15 -0.06 -0.01 0.00 0.80 0.00 0.00 33.01 33.59 1vch s GLN 95 CO 0.01 -0.08 0.87 -1.21 -0.50 0.00 0.00 175.29 174.38 1vch s GLU 96 N 0.54 3.15 -1.02 1.67 2.02 -1.26 -1.79 118.70 122.00 1vch s GLU 96 Ca -0.04 0.10 -0.27 0.00 0.02 0.00 0.00 54.97 54.78 1vch s GLU 96 Cb -0.06 -2.29 -0.25 0.00 0.10 0.00 0.00 34.13 31.63 1vch s GLU 96 CO -0.02 -0.54 2.08 0.41 0.02 0.00 0.00 175.26 177.21 1vch n GLY 105 N -2.49 -0.42 3.60 -1.39 0.00 -1.26 -4.64 105.19 98.59 1vch n GLY 105 Ca 0.03 0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1vch n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vch s GLU 106 N 8.47 3.68 -0.11 1.61 0.41 -1.26 -5.01 118.70 126.49 1vch s GLU 106 Ca 0.81 0.77 0.00 0.00 -0.41 0.00 0.00 54.97 56.14 1vch s GLU 106 Cb -0.04 -3.95 0.02 0.00 -1.78 0.00 0.00 34.13 28.38 1vch s GLU 106 CO 0.20 -1.44 -0.09 0.08 -0.49 0.00 0.00 175.26 173.52 1vch s VAL 107 N 4.86 1.10 -0.07 2.63 1.01 -1.26 -5.07 120.40 123.59 1vch s VAL 107 Ca 0.54 -0.36 -0.12 0.00 0.00 0.00 0.00 61.98 62.04 1vch s VAL 107 Cb -0.10 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 1vch s VAL 107 CO 0.31 0.37 0.29 -1.48 0.00 0.00 0.00 175.10 174.60 1vch s LEU 108 N 1.48 4.40 -0.25 3.92 0.05 -0.74 -4.00 118.68 123.54 1vch s LEU 108 Ca 0.01 0.71 0.00 0.00 0.05 0.00 0.00 54.13 54.90 1vch s LEU 108 Cb -0.13 -2.37 0.07 0.00 -2.05 0.00 0.00 46.19 41.71 1vch s LEU 108 CO -0.06 0.31 -0.01 0.26 -0.55 0.00 0.00 176.35 176.30 1vch s TRP 109 N -0.76 2.23 -0.13 3.48 0.52 0.29 -2.42 118.94 122.15 1vch s TRP 109 Ca 0.19 -1.75 -0.12 0.00 0.02 0.00 0.00 56.10 54.45 1vch s TRP 109 Cb -0.14 -1.65 -0.05 0.00 -1.15 0.00 0.00 33.47 30.48 1vch s TRP 109 CO 0.08 -0.78 0.24 -1.17 0.02 0.00 0.00 176.95 175.34 1vch s LEU 110 N 1.45 4.31 0.33 2.99 2.96 -0.12 0.06 118.68 130.66 1vch s LEU 110 Ca -0.01 0.51 -0.28 0.00 -0.22 0.00 0.00 54.13 54.13 1vch s LEU 110 Cb -0.18 -2.28 -0.09 0.00 0.50 0.00 0.00 46.19 44.14 1vch s LEU 110 CO -0.09 0.22 1.18 -0.62 -1.32 0.00 0.00 176.35 175.72 1vch s ASP 111 N -0.14 6.90 0.14 3.68 2.15 -1.26 0.67 116.67 128.80 1vch s ASP 111 Ca 0.15 2.42 -0.23 0.00 0.43 0.00 0.00 52.55 55.32 1vch s ASP 111 Cb -0.13 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 1vch s ASP 111 CO 0.04 -0.42 1.64 -0.09 -0.17 0.00 0.00 175.17 176.17 1vch h ARG 112 N 3.32 -0.27 -0.70 4.34 9.65 -1.70 0.51 114.38 129.54 1vch h ARG 112 Ca -0.48 0.02 0.13 0.00 -1.10 0.00 0.00 59.98 58.55 1vch h ARG 112 Cb 1.22 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.82 1vch h ARG 112 CO 0.65 -0.18 0.47 0.00 2.80 0.00 0.00 179.97 183.71 1vch h ARG 113 N -0.28 0.41 -0.11 0.20 2.47 -1.89 0.13 114.38 115.32 1vch h ARG 113 Ca 0.11 -0.02 -0.20 0.00 -1.26 0.00 0.00 59.98 58.61 1vch h ARG 113 Cb 0.44 -0.09 0.01 0.00 -1.65 0.00 0.00 29.97 28.68 1vch h ARG 113 CO -0.32 0.27 -0.72 0.74 0.56 0.00 0.00 179.97 180.50 1vch h PHE 114 N 0.42 0.93 0.00 3.04 0.04 -1.44 -3.14 116.94 116.79 1vch h PHE 114 Ca 0.33 -0.43 0.00 0.00 2.80 0.00 0.00 57.97 60.68 1vch h PHE 114 Cb 0.73 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.74 1vch h PHE 114 CO -0.00 1.25 0.00 0.00 -0.60 0.00 0.00 178.31 178.96 1vch n ALA 115 N -2.59 1.88 -0.07 2.45 0.00 0.16 -1.83 120.51 120.51 1vch n ALA 115 Ca -0.08 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.17 1vch n ALA 115 Cb 0.71 -1.25 -0.15 0.00 0.00 0.00 0.00 19.45 18.77 1vch n ALA 115 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1vch n GLU 116 N -1.25 0.67 0.00 0.00 0.28 -0.13 -3.77 120.64 116.45 1vch n GLU 116 Ca 0.08 0.14 0.05 0.00 -0.16 0.00 0.00 57.16 57.27 1vch n GLU 116 Cb 0.11 -1.63 0.25 0.00 1.43 0.00 0.00 31.44 31.60 1vch n GLU 116 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1vch n LYS 117 N -2.97 0.11 -3.71 3.44 5.02 -0.76 -5.06 118.16 114.22 1vch n LYS 117 Ca -0.28 0.22 -0.36 0.00 -2.02 0.00 0.00 58.31 55.86 1vch n LYS 117 Cb 1.09 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.53 1vch n LYS 117 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1vch s LEU 118 N -2.67 4.30 0.00 -0.35 1.43 -1.22 -4.97 118.68 115.20 1vch s LEU 118 Ca 0.09 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 1vch s LEU 118 Cb 0.07 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 44.09 1vch s LEU 118 CO 0.16 0.25 0.00 0.00 0.23 0.00 0.00 176.35 176.99 1vch n GLN 121 N 2.88 0.00 -2.90 1.70 1.13 -1.26 -3.86 117.38 115.08 1vch n GLN 121 Ca -0.16 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.47 1vch n GLN 121 Cb 0.53 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.83 1vch n GLN 121 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1vch s ARG 122 N -4.15 3.68 -0.01 -1.09 0.52 -1.25 0.61 118.95 117.25 1vch s ARG 122 Ca 0.00 0.28 0.03 0.00 -0.52 0.00 0.00 55.73 55.52 1vch s ARG 122 Cb 0.00 -3.85 -0.03 0.00 0.52 0.00 0.00 34.95 31.59 1vch s ARG 122 CO 0.00 -0.99 -0.07 0.08 0.02 0.00 0.00 175.30 174.34 1vch s VAL 123 N 3.34 3.60 -0.15 3.52 1.01 0.82 -2.20 120.40 130.34 1vch s VAL 123 Ca 0.34 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 1vch s VAL 123 Cb -0.12 -2.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.71 1vch s VAL 123 CO 0.20 0.43 -0.14 -0.69 0.00 0.00 0.00 175.10 174.90 1vch s VAL 124 N -0.96 2.78 0.14 2.92 1.01 -0.86 -3.88 120.40 121.55 1vch s VAL 124 Ca 0.16 -0.73 -0.26 0.00 0.00 0.00 0.00 61.98 61.14 1vch s VAL 124 Cb -0.11 -2.18 -0.07 0.00 0.00 0.00 0.00 36.38 34.02 1vch s VAL 124 CO 0.06 0.51 0.81 -0.76 0.00 0.00 0.00 175.10 175.73 1vch s LEU 125 N 0.77 4.56 -0.06 3.92 1.43 -1.25 0.12 118.68 128.17 1vch s LEU 125 Ca -0.06 1.65 0.01 0.00 -1.03 0.00 0.00 54.13 54.71 1vch s LEU 125 Cb -0.15 -3.35 0.02 0.00 0.03 0.00 0.00 46.19 42.74 1vch s LEU 125 CO 0.01 0.13 -0.08 -0.69 0.23 0.00 0.00 176.35 175.95 1vch s VAL 126 N -0.78 0.82 0.17 -1.59 1.01 -0.28 0.08 120.40 119.83 1vch s VAL 126 Ca 0.38 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.13 1vch s VAL 126 Cb -0.23 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 1vch s VAL 126 CO 0.27 0.30 -0.08 -0.55 0.00 0.00 0.00 175.10 175.03 1vch s SER 127 N 0.96 1.85 0.00 3.32 0.15 -0.70 -4.08 113.70 115.21 1vch s SER 127 Ca -0.10 -1.07 -0.00 0.00 0.70 0.00 0.00 55.95 55.48 1vch s SER 127 Cb -0.15 -0.01 -0.00 0.00 -1.71 0.00 0.00 66.02 64.15 1vch s SER 127 CO 0.00 -0.37 0.87 -0.78 1.20 0.00 0.00 173.24 174.16 1vch h ASP 128 N 2.68 -0.01 -4.31 5.45 3.58 -1.88 -3.20 116.42 118.73 1vch h ASP 128 Ca -0.37 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 56.79 1vch h ASP 128 Cb 1.20 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 42.11 1vch h ASP 128 CO 0.64 -0.01 -0.69 -0.69 -2.88 0.00 0.00 179.24 175.61 1vch s VAL 129 N -2.75 0.87 -0.04 2.25 1.01 -1.26 -3.01 120.40 117.47 1vch s VAL 129 Ca -0.00 -2.00 0.02 0.00 0.00 0.00 0.00 61.98 60.00 1vch s VAL 129 Cb 0.00 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.48 1vch s VAL 129 CO 0.01 -0.67 -0.07 -0.69 0.00 0.00 0.00 175.10 173.67 1vch s VAL 130 N -3.52 0.70 0.00 2.92 1.01 -0.77 -4.99 120.40 115.75 1vch s VAL 130 Ca 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1vch s VAL 130 Cb 0.05 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.77 1vch s VAL 130 CO 0.01 0.24 0.00 0.00 0.00 0.00 0.00 175.10 175.35 1vch n ALA 131 N 3.64 2.48 -1.00 5.51 0.00 -1.26 -1.82 120.51 128.06 1vch n ALA 131 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1vch n ALA 131 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1vch n ALA 131 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1vch n SER 132 N -1.71 0.00 0.00 0.00 3.41 -1.26 -3.27 113.62 110.78 1vch n SER 132 Ca 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1vch n SER 132 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1vch n SER 132 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1vch n THR 135 N -0.19 0.00 0.09 6.66 -1.04 -1.26 -0.64 114.28 117.90 1vch n THR 135 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 1vch n THR 135 Cb 0.00 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.54 1vch n THR 135 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 1vch h MET 136 N 0.00 0.12 0.03 -2.82 0.00 -1.98 -2.06 114.93 108.23 1vch h MET 136 Ca 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 59.70 59.58 1vch h MET 136 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 31.60 31.63 1vch h MET 136 CO 0.00 0.86 -0.02 0.00 0.00 0.00 0.00 176.91 177.75 1vch h ARG 137 N 0.07 -0.04 -0.74 1.72 3.08 -1.99 -3.10 114.38 113.37 1vch h ARG 137 Ca -0.02 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.08 1vch h ARG 137 Cb 1.40 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.42 1vch h ARG 137 CO 0.12 0.49 0.48 0.00 -1.07 0.00 0.00 179.97 179.99 1vch h ALA 138 N 0.31 1.63 0.00 0.04 0.00 -1.82 -3.06 119.26 116.37 1vch h ALA 138 Ca -0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1vch h ALA 138 Cb 0.56 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1vch h ALA 138 CO 0.01 0.27 -0.06 -1.33 0.00 0.00 0.00 179.25 178.14 1vch n MET 139 N -4.47 1.05 0.00 0.00 2.81 -0.78 -3.38 117.12 112.35 1vch n MET 139 Ca 0.10 -0.35 0.00 0.00 -1.81 0.00 0.00 57.70 55.64 1vch n MET 139 Cb 0.18 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 1vch n MET 139 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1vch n LYS 141 N 2.16 0.00 0.06 0.03 5.02 -1.16 -3.81 118.16 120.47 1vch n LYS 141 Ca 0.15 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.56 1vch n LYS 141 Cb 0.49 -0.39 0.46 0.00 -0.02 0.00 0.00 35.03 35.58 1vch n LYS 141 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1vch n MET 142 N 0.00 0.12 -0.10 1.97 2.81 -1.22 -3.02 117.12 117.69 1vch n MET 142 Ca 0.00 0.23 -0.20 0.00 -1.81 0.00 0.00 57.70 55.92 1vch n MET 142 Cb 0.00 -1.68 -0.11 0.00 -0.71 0.00 0.00 33.22 30.71 1vch n MET 142 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1vch h VAL 143 N 0.00 0.97 0.00 2.03 2.07 -1.90 -3.13 116.25 116.28 1vch h VAL 143 Ca 0.00 -2.14 0.00 0.00 0.82 0.00 0.00 66.70 65.38 1vch h VAL 143 Cb 0.47 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1vch h VAL 143 CO 0.00 0.33 0.00 0.18 0.02 0.00 0.00 177.57 178.10 1vch n LEU 144 N -4.46 5.11 0.00 2.57 4.77 -1.17 -1.07 117.00 122.76 1vch n LEU 144 Ca -0.29 -2.31 0.00 0.00 -0.03 0.00 0.00 56.01 53.39 1vch n LEU 144 Cb 0.64 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1vch n LEU 144 CO 0.20 0.96 0.00 -1.14 -1.33 0.00 0.00 177.39 176.08 1vch n ARG 145 N 1.48 0.45 -0.08 3.23 0.63 -1.17 -4.79 116.66 116.41 1vch n ARG 145 Ca 0.00 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.05 1vch n ARG 145 Cb 0.49 -0.04 0.32 0.00 0.45 0.00 0.00 32.46 33.67 1vch n ARG 145 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1vch n ALA 146 N 0.00 2.49 -2.37 5.13 0.00 -0.70 -4.94 120.51 120.13 1vch n ALA 146 Ca 0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 53.44 52.73 1vch n ALA 146 Cb 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.45 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 1.27 0.37 2.13 0.00 0.00 -0.98 -4.76 105.19 103.22 1vch n GLY 147 Ca 0.17 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.93 3.56 3.05 -0.02 0.00 -0.23 -3.99 105.19 106.63 1vch n GLY 148 Ca -0.03 -2.05 -0.10 0.00 0.00 0.00 0.00 46.02 43.84 1vch n GLY 148 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vch s HIS 149 N -2.51 0.19 0.00 1.61 0.09 0.20 -4.00 115.29 110.87 1vch s HIS 149 Ca 0.13 -0.41 0.00 0.00 -0.00 0.00 0.00 55.06 54.77 1vch s HIS 149 Cb 0.01 -0.14 0.00 0.00 -0.00 0.00 0.00 32.58 32.44 1vch s HIS 149 CO 0.09 -0.26 0.00 0.28 -0.00 0.00 0.00 174.74 174.85 1vch n VAL 150 N 1.35 0.00 -3.15 -0.90 0.31 -1.25 0.28 118.33 114.97 1vch n VAL 150 Ca -0.22 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.16 1vch n VAL 150 Cb 0.56 -0.36 -0.00 0.00 -0.91 0.00 0.00 33.84 33.12 1vch n VAL 150 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1vch s ARG 153 N -1.76 0.20 -0.30 5.55 0.52 -1.25 -4.90 118.95 117.02 1vch s ARG 153 Ca 0.00 0.23 -0.05 0.00 -0.52 0.00 0.00 55.73 55.39 1vch s ARG 153 Cb 0.00 0.11 0.03 0.00 0.52 0.00 0.00 34.95 35.61 1vch s ARG 153 CO 0.00 -0.35 0.04 -0.51 0.02 0.00 0.00 175.30 174.50 1vch s LEU 154 N 2.94 3.81 -0.08 2.53 1.43 0.11 -1.34 118.68 128.09 1vch s LEU 154 Ca 0.21 -0.94 0.04 0.00 -1.03 0.00 0.00 54.13 52.40 1vch s LEU 154 Cb -0.04 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 1vch s LEU 154 CO -0.21 -0.22 -0.20 0.00 0.23 0.00 0.00 176.35 175.95 1vch s ALA 155 N 1.40 2.38 0.05 4.21 0.00 -0.65 -1.71 121.76 127.43 1vch s ALA 155 Ca -0.00 -0.98 -0.33 0.00 0.00 0.00 0.00 51.96 50.65 1vch s ALA 155 Cb -0.18 -0.89 -0.19 0.00 0.00 0.00 0.00 23.12 21.86 1vch s ALA 155 CO 0.00 0.38 1.48 0.28 0.00 0.00 0.00 175.76 177.90 1vch h VAL 156 N 5.13 0.21 -2.93 0.00 2.07 -1.53 -2.98 116.25 116.22 1vch h VAL 156 Ca -0.31 -0.10 -0.64 0.00 0.82 0.00 0.00 66.70 66.47 1vch h VAL 156 Cb 1.19 0.23 -0.17 0.00 -1.52 0.00 0.00 31.29 31.03 1vch h VAL 156 CO 0.50 0.01 -0.79 -0.36 0.02 0.00 0.00 177.57 176.95 1vch s PHE 157 N -5.67 2.36 -0.04 1.57 0.40 -1.19 -1.56 117.98 113.84 1vch s PHE 157 Ca -0.17 -0.33 0.01 0.00 -0.60 0.00 0.00 56.93 55.83 1vch s PHE 157 Cb 0.03 -1.13 0.02 0.00 0.51 0.00 0.00 43.02 42.45 1vch s PHE 157 CO 0.57 0.55 -0.03 -0.98 0.70 0.00 0.00 175.22 176.04 1vch s ARG 158 N -2.90 0.64 -0.19 0.44 3.03 -1.24 -1.84 118.95 116.89 1vch s ARG 158 Ca 0.24 -0.04 -0.08 0.00 2.03 0.00 0.00 55.73 57.87 1vch s ARG 158 Cb -0.07 -0.72 -0.04 0.00 -1.03 0.00 0.00 34.95 33.08 1vch s ARG 158 CO 0.12 -0.11 0.09 1.14 -1.13 0.00 0.00 175.30 175.41 1vch s GLN 159 N 0.98 4.05 3.80 3.89 -2.07 -0.75 -1.50 119.66 128.06 1vch s GLN 159 Ca -0.10 -0.29 0.00 0.00 -1.82 0.00 0.00 55.36 53.15 1vch s GLN 159 Cb -0.14 -3.29 0.00 0.00 -1.09 0.00 0.00 33.01 28.49 1vch s GLN 159 CO -0.01 0.29 0.00 0.41 -1.32 0.00 0.00 175.29 174.67 1vch n GLY 160 N 3.50 0.71 3.11 2.60 0.00 -1.26 -4.54 105.19 109.31 1vch n GLY 160 Ca -0.16 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 1vch n GLY 160 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vch s THR 161 N 0.00 1.89 0.46 2.61 2.01 -1.26 -5.01 115.64 116.34 1vch s THR 161 Ca 0.00 -0.86 -0.25 0.00 0.31 0.00 0.00 61.69 60.89 1vch s THR 161 Cb 0.00 -1.71 -0.08 0.00 0.01 0.00 0.00 72.50 70.72 1vch s THR 161 CO 0.00 0.52 1.44 -2.84 -0.69 0.00 0.00 174.62 173.04 1vch s PRO 162 N 1.12 3.63 0.00 4.92 0.02 -1.20 -4.87 135.00 138.62 1vch s PRO 162 Ca -0.01 2.44 0.15 0.00 0.02 0.00 0.00 61.00 63.60 1vch s PRO 162 Cb -0.14 -2.63 0.87 0.00 0.02 0.00 0.00 34.50 32.62 1vch s PRO 162 CO -0.07 -0.87 1.34 0.41 -0.33 0.00 0.00 177.00 177.48 1vch n GLY 163 N 0.58 -0.66 3.38 0.52 0.00 0.18 -4.75 105.19 104.43 1vch n GLY 163 Ca 0.05 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 1vch n GLY 163 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1vch s LEU 164 N -1.69 0.03 -0.09 0.99 0.05 -1.26 -5.12 118.68 111.60 1vch s LEU 164 Ca 0.22 0.13 -0.32 0.00 0.05 0.00 0.00 54.13 54.21 1vch s LEU 164 Cb 0.10 2.05 -0.10 0.00 -2.05 0.00 0.00 46.19 46.19 1vch s LEU 164 CO 0.17 -0.71 1.99 0.00 -0.55 0.00 0.00 176.35 177.25 1vch n ALA 165 N 0.41 1.27 -3.36 1.48 0.00 -1.26 -4.97 120.51 114.08 1vch n ALA 165 Ca -0.18 0.15 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 1vch n ALA 165 Cb 0.60 -2.63 -0.12 0.00 0.00 0.00 0.00 19.45 17.30 1vch n ALA 165 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1vch s VAL 166 N 5.12 -0.02 -0.34 0.00 1.01 -1.26 -4.84 120.40 120.07 1vch s VAL 166 Ca 0.94 0.06 -0.17 0.00 0.00 0.00 0.00 61.98 62.82 1vch s VAL 166 Cb -0.56 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 1vch s VAL 166 CO 0.46 0.03 0.44 -1.81 0.00 0.00 0.00 175.10 174.22 1vch s ASP 167 N 0.59 6.26 0.18 3.32 1.01 -0.45 -4.94 116.67 122.63 1vch s ASP 167 Ca -0.04 -0.09 0.07 0.00 0.71 0.00 0.00 52.55 53.20 1vch s ASP 167 Cb -0.05 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.60 1vch s ASP 167 CO -0.03 -0.40 0.04 0.42 0.21 0.00 0.00 175.17 175.41 1vch s THR 168 N 2.21 3.91 -0.11 -1.27 -4.23 -1.24 -1.64 115.64 113.27 1vch s THR 168 Ca 0.16 -1.38 -0.05 0.00 -1.18 0.00 0.00 61.69 59.24 1vch s THR 168 Cb -0.16 -2.99 -0.02 0.00 1.34 0.00 0.00 72.50 70.67 1vch s THR 168 CO 0.12 -0.14 -0.10 -0.37 -0.54 0.00 0.00 174.62 173.59 1vch h VAL 169 N 2.28 0.00 -4.80 2.29 -1.51 -1.28 -3.49 116.25 109.75 1vch h VAL 169 Ca -0.47 -0.83 -0.25 0.00 -1.23 0.00 0.00 66.70 63.92 1vch h VAL 169 Cb 1.21 0.00 -0.02 0.00 -2.13 0.00 0.00 31.29 30.35 1vch h VAL 169 CO 0.59 0.00 -0.12 0.00 -1.23 0.00 0.00 177.57 176.82 1vch n ALA 170 N -3.17 0.37 -2.97 5.19 0.00 -0.60 -5.06 120.51 114.27 1vch n ALA 170 Ca -0.04 -0.95 -0.11 0.00 0.00 0.00 0.00 53.44 52.34 1vch n ALA 170 Cb 0.15 0.39 -0.12 0.00 0.00 0.00 0.00 19.45 19.87 1vch n ALA 170 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1vch s GLU 171 N -2.97 0.20 -0.12 0.00 2.12 -1.26 -3.64 118.70 113.04 1vch s GLU 171 Ca 0.13 -0.24 -0.11 0.00 0.36 0.00 0.00 54.97 55.12 1vch s GLU 171 Cb -0.01 0.08 -0.05 0.00 0.26 0.00 0.00 34.13 34.41 1vch s GLU 171 CO 0.09 -0.04 0.23 -0.51 -0.54 0.00 0.00 175.26 174.49 1vch s LEU 172 N -0.70 4.34 0.25 2.70 1.43 -0.56 -4.86 118.68 121.28 1vch s LEU 172 Ca -0.08 0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 53.42 1vch s LEU 172 Cb -0.05 -2.26 -0.08 0.00 0.03 0.00 0.00 46.19 43.83 1vch s LEU 172 CO -0.00 0.28 0.66 -2.16 0.23 0.00 0.00 176.35 175.35 1vch s PRO 173 N -0.44 4.01 -0.37 1.29 0.04 -1.26 -4.02 135.00 134.25 1vch s PRO 173 Ca 0.16 0.59 -0.14 0.00 0.04 0.00 0.00 61.00 61.65 1vch s PRO 173 Cb -0.13 -2.67 -0.00 0.00 0.04 0.00 0.00 34.50 31.73 1vch s PRO 173 CO 0.05 0.31 0.30 0.08 0.04 0.00 0.00 177.00 177.77 1vch s VAL 174 N -1.74 5.24 -1.83 -0.36 1.01 -1.26 -4.32 120.40 117.13 1vch s VAL 174 Ca 0.47 -0.30 0.15 0.00 0.00 0.00 0.00 61.98 62.29 1vch s VAL 174 Cb -0.13 -3.82 0.12 0.00 0.00 0.00 0.00 36.38 32.55 1vch s VAL 174 CO 0.19 -0.14 0.96 0.18 0.00 0.00 0.00 175.10 176.29