#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mg3 s ALA 6 N 0.00 3.48 0.01 4.31 0.00 -1.26 -5.04 121.76 123.26 1mg3 s ALA 6 Ca 0.00 -0.31 0.08 0.00 0.00 0.00 0.00 51.96 51.73 1mg3 s ALA 6 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 1mg3 s ALA 6 CO 0.00 -1.43 -0.24 -1.21 0.00 0.00 0.00 175.76 172.87 1mg3 s GLU 7 N 3.37 2.03 0.54 0.00 2.02 -1.26 -5.04 118.70 120.36 1mg3 s GLU 7 Ca 0.39 -0.98 -0.16 0.00 0.02 0.00 0.00 54.97 54.24 1mg3 s GLU 7 Cb -0.13 -2.07 -0.07 0.00 0.10 0.00 0.00 34.13 31.97 1mg3 s GLU 7 CO 0.15 0.55 1.00 0.95 0.02 0.00 0.00 175.26 177.93 1mg3 s THR 8 N -0.73 4.42 0.28 3.63 -4.23 -1.26 -4.85 115.64 112.90 1mg3 s THR 8 Ca 0.11 1.13 0.02 0.00 -1.18 0.00 0.00 61.69 61.77 1mg3 s THR 8 Cb -0.10 -3.67 0.28 0.00 1.34 0.00 0.00 72.50 70.35 1mg3 s THR 8 CO 0.01 -0.69 1.69 -0.61 -0.54 0.00 0.00 174.62 174.48 1mg3 h GLN 9 N 0.75 0.34 0.24 3.99 5.75 -1.99 -0.57 115.11 123.61 1mg3 h GLN 9 Ca -0.47 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.01 1mg3 h GLN 9 Cb 1.19 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.66 1mg3 h GLN 9 CO 0.61 0.22 -0.15 0.00 -2.65 0.00 0.00 178.83 176.86 1mg3 h ALA 10 N 1.70 -0.37 0.00 3.38 0.00 -1.92 -1.49 119.26 120.56 1mg3 h ALA 10 Ca 0.53 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1mg3 h ALA 10 Cb 1.00 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1mg3 h ALA 10 CO -0.54 -0.72 0.00 -0.56 0.00 0.00 0.00 179.25 177.43 1mg3 h GLN 11 N -0.38 0.00 0.05 0.00 3.07 -1.59 -0.68 115.11 115.59 1mg3 h GLN 11 Ca -0.02 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.54 1mg3 h GLN 11 Cb 0.32 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.89 1mg3 h GLN 11 CO 0.03 0.00 -0.73 1.49 0.09 0.00 0.00 178.83 179.71 1mg3 h GLU 12 N 0.00 0.40 -0.06 0.06 4.81 -0.68 -0.48 114.58 118.63 1mg3 h GLU 12 Ca 0.00 -0.50 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 1mg3 h GLU 12 Cb 0.40 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 1mg3 h GLU 12 CO 0.00 1.17 0.01 1.15 -0.73 0.00 0.00 179.01 180.61 1mg3 h THR 13 N -0.15 1.21 -0.37 0.32 2.02 -0.86 0.24 112.91 115.33 1mg3 h THR 13 Ca -0.11 -0.63 0.08 0.00 0.77 0.00 0.00 66.41 66.52 1mg3 h THR 13 Cb 1.47 1.52 -0.08 0.00 -1.74 0.00 0.00 68.15 69.33 1mg3 h THR 13 CO 0.14 0.17 -0.13 1.56 0.37 0.00 0.00 175.52 177.63 1mg3 h GLN 14 N -0.14 -0.06 -0.64 6.66 4.20 -1.20 0.46 115.11 124.38 1mg3 h GLN 14 Ca 0.02 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.78 1mg3 h GLN 14 Cb 0.27 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 1mg3 h GLN 14 CO 0.00 -0.04 0.37 0.78 -0.67 0.00 0.00 178.83 179.27 1mg3 h GLY 15 N -0.06 0.93 0.79 3.46 0.00 -0.76 0.12 103.07 107.55 1mg3 h GLY 15 Ca 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1mg3 h GLY 15 CO -0.41 0.19 -0.10 1.46 0.00 0.00 0.00 176.54 177.68 1mg3 h GLN 16 N 0.70 -0.26 -0.99 4.80 4.20 0.71 -0.83 115.11 123.45 1mg3 h GLN 16 Ca 0.28 0.02 0.13 0.00 0.06 0.00 0.00 58.65 59.13 1mg3 h GLN 16 Cb 0.12 0.06 -0.08 0.00 0.30 0.00 0.00 27.48 27.87 1mg3 h GLN 16 CO -0.15 -0.01 0.62 0.00 -0.67 0.00 0.00 178.83 178.62 1mg3 h ALA 17 N 0.27 1.57 -0.64 3.87 0.00 0.12 0.48 119.26 124.93 1mg3 h ALA 17 Ca -0.03 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1mg3 h ALA 17 Cb 0.37 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1mg3 h ALA 17 CO 0.04 0.18 0.20 0.00 0.00 0.00 0.00 179.25 179.67 1mg3 h ALA 18 N 1.55 0.83 -0.30 0.00 0.00 -0.48 -2.16 119.26 118.70 1mg3 h ALA 18 Ca 0.49 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1mg3 h ALA 18 Cb 0.53 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1mg3 h ALA 18 CO -0.26 0.51 0.12 0.00 0.00 0.00 0.00 179.25 179.62 1mg3 h ALA 19 N 1.07 0.39 -0.44 0.00 0.00 0.34 -2.12 119.26 118.51 1mg3 h ALA 19 Ca 0.20 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1mg3 h ALA 19 Cb 0.30 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.87 1mg3 h ALA 19 CO -0.01 -0.01 -0.42 -0.09 0.00 0.00 0.00 179.25 178.72 1mg3 h ARG 20 N 0.34 -0.29 0.05 0.00 9.65 -0.62 0.85 114.38 124.36 1mg3 h ARG 20 Ca 0.10 0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 59.00 1mg3 h ARG 20 Cb 0.18 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 1mg3 h ARG 20 CO -0.01 -0.19 -0.02 0.00 2.80 0.00 0.00 179.97 182.55 1mg3 h ALA 21 N 0.49 -0.06 -0.38 2.80 0.00 -1.27 -1.22 119.26 119.62 1mg3 h ALA 21 Ca 0.15 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1mg3 h ALA 21 Cb 0.58 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1mg3 h ALA 21 CO -0.59 -0.53 0.25 0.00 0.00 0.00 0.00 179.25 178.38 1mg3 h ALA 22 N 0.88 1.81 0.08 0.00 0.00 -0.90 0.51 119.26 121.64 1mg3 h ALA 22 Ca -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1mg3 h ALA 22 Cb 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1mg3 h ALA 22 CO 0.01 0.15 -0.04 0.00 0.00 0.00 0.00 179.25 179.38 1mg3 h ALA 23 N 1.78 -0.11 -0.29 0.00 0.00 -0.52 -1.96 119.26 118.15 1mg3 h ALA 23 Ca 0.15 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1mg3 h ALA 23 Cb 0.05 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1mg3 h ALA 23 CO -0.03 -0.31 -0.07 0.00 0.00 0.00 0.00 179.25 178.83 1mg3 h ALA 24 N 0.22 1.33 0.06 0.00 0.00 -0.85 -1.62 119.26 118.39 1mg3 h ALA 24 Ca -0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1mg3 h ALA 24 Cb 0.51 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1mg3 h ALA 24 CO 0.02 0.45 -0.03 -0.44 0.00 0.00 0.00 179.25 179.26 1mg3 h ASP 25 N 0.45 -0.06 0.46 0.00 3.45 0.02 0.39 116.42 121.12 1mg3 h ASP 25 Ca 0.09 -0.13 -0.01 0.00 0.43 0.00 0.00 57.03 57.41 1mg3 h ASP 25 Cb 0.41 0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.18 1mg3 h ASP 25 CO 0.02 0.09 -0.46 0.25 -1.57 0.00 0.00 179.24 177.57 1mg3 h LEU 26 N -0.21 -1.25 -1.92 1.55 6.46 -1.13 0.12 115.31 118.93 1mg3 h LEU 26 Ca -0.01 0.10 0.09 0.00 -0.12 0.00 0.00 57.88 57.95 1mg3 h LEU 26 Cb 0.19 0.42 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 1mg3 h LEU 26 CO 0.01 -0.62 0.27 0.00 -0.62 0.00 0.00 178.44 177.49 1mg3 h ALA 27 N -0.67 2.25 -0.00 1.25 0.00 -1.27 0.30 119.26 121.11 1mg3 h ALA 27 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1mg3 h ALA 27 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1mg3 h ALA 27 CO -0.07 -0.35 -0.05 0.00 0.00 0.00 0.00 179.25 178.78 1mg3 n ALA 28 N -2.59 2.69 -1.38 0.00 0.00 0.12 -4.92 120.51 114.44 1mg3 n ALA 28 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1mg3 n ALA 28 Cb 0.40 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1mg3 n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mg3 n GLY 29 N 1.19 0.81 3.84 0.00 0.00 0.09 -5.05 105.19 106.08 1mg3 n GLY 29 Ca 0.18 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 1mg3 n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mg3 s GLN 30 N -3.02 3.94 0.04 1.61 -0.21 0.38 -5.02 119.66 117.38 1mg3 s GLN 30 Ca 0.00 0.43 0.00 0.00 0.02 0.00 0.00 55.36 55.81 1mg3 s GLN 30 Cb 0.00 -3.14 -0.04 0.00 1.00 0.00 0.00 33.01 30.83 1mg3 s GLN 30 CO 0.00 0.63 0.14 -0.51 -2.12 0.00 0.00 175.29 173.44 1mg3 s ASP 31 N -1.30 6.00 0.01 5.90 1.01 -1.26 -4.44 116.67 122.59 1mg3 s ASP 31 Ca 0.28 0.18 -0.28 0.00 0.71 0.00 0.00 52.55 53.44 1mg3 s ASP 31 Cb -0.16 -1.77 -0.04 0.00 1.01 0.00 0.00 42.92 41.96 1mg3 s ASP 31 CO 0.16 0.20 0.91 -1.81 0.21 0.00 0.00 175.17 174.84 1mg3 s ASP 32 N -2.24 7.31 -0.41 0.27 -0.00 -1.26 -4.99 116.67 115.35 1mg3 s ASP 32 Ca 0.30 1.58 0.04 0.00 -0.00 0.00 0.00 52.55 54.47 1mg3 s ASP 32 Cb -0.13 -2.54 0.18 0.00 -0.00 0.00 0.00 42.92 40.44 1mg3 s ASP 32 CO 0.22 -0.18 0.37 -0.62 -0.00 0.00 0.00 175.17 174.96 1mg3 n GLU 33 N 3.62 0.24 -1.45 8.23 1.02 -1.26 -5.12 120.64 125.91 1mg3 n GLU 33 Ca 0.03 -3.15 -0.47 0.00 -0.02 0.00 0.00 57.16 53.55 1mg3 n GLU 33 Cb 0.51 -1.62 -0.03 0.00 -0.02 0.00 0.00 31.44 30.28 1mg3 n GLU 33 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1mg3 n PRO 34 N 2.70 0.37 -4.04 3.49 -0.02 -1.26 -5.02 135.00 131.23 1mg3 n PRO 34 Ca 0.29 0.13 -0.11 0.00 -2.02 0.00 0.00 63.50 61.79 1mg3 n PRO 34 Cb 0.49 -1.24 -0.05 0.00 -0.02 0.00 0.00 33.50 32.68 1mg3 n PRO 34 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1mg3 s ARG 35 N -1.14 1.64 -0.28 -0.52 1.70 -1.26 -5.14 118.95 113.95 1mg3 s ARG 35 Ca 0.63 -1.43 -0.16 0.00 -0.47 0.00 0.00 55.73 54.29 1mg3 s ARG 35 Cb -0.87 0.45 -0.03 0.00 -0.57 0.00 0.00 34.95 33.93 1mg3 s ARG 35 CO 0.57 -0.67 0.43 0.42 -1.08 0.00 0.00 175.30 174.96 1mg3 s ILE 36 N -3.70 5.13 0.66 4.99 1.01 -1.26 -5.06 121.20 122.97 1mg3 s ILE 36 Ca 0.26 0.62 -0.13 0.00 0.00 0.00 0.00 60.65 61.41 1mg3 s ILE 36 Cb 0.00 -3.76 -0.00 0.00 0.01 0.00 0.00 42.46 38.70 1mg3 s ILE 36 CO 0.12 0.09 1.06 -0.76 0.00 0.00 0.00 174.94 175.46 1mg3 s LEU 37 N 2.17 3.26 0.02 2.97 1.02 -1.26 -5.07 118.68 121.78 1mg3 s LEU 37 Ca 0.17 1.70 0.03 0.00 0.02 0.00 0.00 54.13 56.05 1mg3 s LEU 37 Cb -0.16 -4.51 -0.04 0.00 0.02 0.00 0.00 46.19 41.51 1mg3 s LEU 37 CO 0.10 -1.38 -0.02 -1.61 0.02 0.00 0.00 176.35 173.46 1mg3 s GLU 38 N -4.69 2.66 0.48 1.70 2.02 -1.26 -4.96 118.70 114.65 1mg3 s GLU 38 Ca 0.60 -0.70 -0.18 0.00 0.02 0.00 0.00 54.97 54.72 1mg3 s GLU 38 Cb -0.15 -2.59 -0.09 0.00 0.10 0.00 0.00 34.13 31.40 1mg3 s GLU 38 CO 0.49 0.60 0.96 0.00 0.02 0.00 0.00 175.26 177.33 1mg3 s ALA 39 N -1.11 3.07 0.39 5.21 0.00 0.60 -5.00 121.76 124.92 1mg3 s ALA 39 Ca 0.20 0.23 -0.26 0.00 0.00 0.00 0.00 51.96 52.13 1mg3 s ALA 39 Cb -0.11 -3.11 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 1mg3 s ALA 39 CO 0.11 -0.12 1.28 -1.25 0.00 0.00 0.00 175.76 175.78 1mg3 s PRO 40 N -3.79 4.03 0.15 0.00 0.04 -1.26 -4.77 135.00 129.40 1mg3 s PRO 40 Ca 0.59 2.10 -0.33 0.00 0.04 0.00 0.00 61.00 63.41 1mg3 s PRO 40 Cb -0.10 -2.78 -0.17 0.00 0.04 0.00 0.00 34.50 31.49 1mg3 s PRO 40 CO 0.26 -0.42 0.96 0.00 0.04 0.00 0.00 177.00 177.84 1mg3 n ALA 41 N 0.21 -1.92 -1.66 8.56 0.00 -1.26 -4.85 120.51 119.60 1mg3 n ALA 41 Ca 0.03 0.48 -0.41 0.00 0.00 0.00 0.00 53.44 53.54 1mg3 n ALA 41 Cb 0.44 -1.86 0.01 0.00 0.00 0.00 0.00 19.45 18.04 1mg3 n ALA 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1mg3 n PRO 42 N 1.41 1.64 -4.01 0.00 -0.04 -1.26 -5.00 135.00 127.73 1mg3 n PRO 42 Ca 0.16 0.59 -0.10 0.00 -0.04 0.00 0.00 63.50 64.11 1mg3 n PRO 42 Cb 0.22 -2.21 -0.05 0.00 -0.04 0.00 0.00 33.50 31.42 1mg3 n PRO 42 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1mg3 s ASP 43 N -0.63 0.06 0.22 3.54 -4.77 -1.26 -5.02 116.67 108.82 1mg3 s ASP 43 Ca 0.62 -1.04 -0.12 0.00 -3.30 0.00 0.00 52.55 48.71 1mg3 s ASP 43 Cb -0.54 0.60 0.29 0.00 -1.09 0.00 0.00 42.92 42.18 1mg3 s ASP 43 CO 0.57 -1.17 1.63 0.00 0.70 0.00 0.00 175.17 176.90 1mg3 h ALA 44 N 2.24 0.51 0.00 2.11 0.00 -1.95 -0.19 119.26 121.98 1mg3 h ALA 44 Ca -0.27 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1mg3 h ALA 44 Cb 1.25 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1mg3 h ALA 44 CO 0.37 -0.42 0.00 0.54 0.00 0.00 0.00 179.25 179.74 1mg3 n ARG 45 N -5.42 0.76 -2.46 0.00 5.12 -1.26 -4.60 116.66 108.80 1mg3 n ARG 45 Ca 0.09 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.59 1mg3 n ARG 45 Cb 0.36 -1.35 -0.03 0.00 -1.16 0.00 0.00 32.46 30.28 1mg3 n ARG 45 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1mg3 s ARG 46 N -2.00 4.42 0.02 5.56 3.52 -0.09 0.19 118.95 130.57 1mg3 s ARG 46 Ca 0.26 1.71 0.06 0.00 -0.13 0.00 0.00 55.73 57.62 1mg3 s ARG 46 Cb 0.12 -3.42 -0.02 0.00 -1.56 0.00 0.00 34.95 30.07 1mg3 s ARG 46 CO 0.20 -0.29 -0.18 0.54 -0.81 0.00 0.00 175.30 174.76 1mg3 s VAL 47 N 1.39 1.41 -0.16 7.11 0.11 0.30 -4.47 120.40 126.09 1mg3 s VAL 47 Ca 0.57 -0.97 -0.00 0.00 -2.93 0.00 0.00 61.98 58.65 1mg3 s VAL 47 Cb -0.27 -1.21 -0.00 0.00 -1.53 0.00 0.00 36.38 33.36 1mg3 s VAL 47 CO 0.27 0.22 -0.14 -0.31 -3.33 0.00 0.00 175.10 171.82 1mg3 s TYR 48 N -0.66 2.81 -0.26 1.54 1.51 0.10 -0.12 117.35 122.28 1mg3 s TYR 48 Ca 0.06 -1.02 -0.02 0.00 -1.01 0.00 0.00 57.07 55.08 1mg3 s TYR 48 Cb -0.08 -1.91 0.02 0.00 -0.11 0.00 0.00 41.96 39.88 1mg3 s TYR 48 CO 0.01 -0.47 -0.04 0.08 -1.11 0.00 0.00 175.55 174.02 1mg3 s VAL 49 N 0.87 3.06 -0.16 0.71 1.01 -0.65 0.07 120.40 125.32 1mg3 s VAL 49 Ca -0.04 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 60.86 1mg3 s VAL 49 Cb -0.15 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 1mg3 s VAL 49 CO -0.01 0.17 0.20 0.20 0.00 0.00 0.00 175.10 175.67 1mg3 s ASN 50 N 1.35 6.36 -0.42 3.32 -0.87 0.22 -0.62 114.94 124.28 1mg3 s ASN 50 Ca 0.00 0.42 -0.05 0.00 -1.57 0.00 0.00 52.86 51.66 1mg3 s ASN 50 Cb -0.17 -2.12 0.11 0.00 -0.02 0.00 0.00 41.25 39.05 1mg3 s ASN 50 CO -0.03 0.22 0.24 -0.62 -2.57 0.00 0.00 177.10 174.34 1mg3 s ASP 51 N -0.05 5.40 0.08 -1.22 2.15 -0.22 -1.86 116.67 120.95 1mg3 s ASP 51 Ca 0.13 -1.94 0.13 0.00 0.43 0.00 0.00 52.55 51.31 1mg3 s ASP 51 Cb -0.12 -1.89 0.60 0.00 -0.30 0.00 0.00 42.92 41.21 1mg3 s ASP 51 CO 0.02 -0.58 1.42 -2.65 -0.17 0.00 0.00 175.17 173.21 1mg3 n PRO 52 N 4.71 0.05 -3.89 4.34 -0.02 -1.26 -3.17 135.00 135.76 1mg3 n PRO 52 Ca -0.05 0.38 -0.25 0.00 -2.02 0.00 0.00 63.50 61.57 1mg3 n PRO 52 Cb 0.41 -1.62 -0.00 0.00 -0.02 0.00 0.00 33.50 32.27 1mg3 n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mg3 n ALA 53 N -1.58 -1.94 -4.06 3.55 0.00 -1.26 -1.87 120.51 113.35 1mg3 n ALA 53 Ca 0.02 -0.20 -0.28 0.00 0.00 0.00 0.00 53.44 52.97 1mg3 n ALA 53 Cb 0.13 -1.85 -0.04 0.00 0.00 0.00 0.00 19.45 17.68 1mg3 n ALA 53 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1mg3 n HIS 54 N -4.38 -1.52 -2.98 0.00 8.25 -1.26 -1.60 115.22 111.72 1mg3 n HIS 54 Ca -0.27 0.65 -0.18 0.00 -0.26 0.00 0.00 57.72 57.66 1mg3 n HIS 54 Cb 0.67 -3.38 0.04 0.00 1.12 0.00 0.00 29.99 28.43 1mg3 n HIS 54 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mg3 n ALA 55 N -4.48 -0.84 -1.71 -1.41 0.00 -0.78 -5.01 120.51 106.27 1mg3 n ALA 55 Ca -0.30 0.25 -0.30 0.00 0.00 0.00 0.00 53.44 53.10 1mg3 n ALA 55 Cb 0.68 -3.52 0.09 0.00 0.00 0.00 0.00 19.45 16.69 1mg3 n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mg3 s ALA 56 N -3.10 2.41 0.33 0.00 0.00 -0.63 -4.94 121.76 115.84 1mg3 s ALA 56 Ca 0.29 -0.40 0.11 0.00 0.00 0.00 0.00 51.96 51.96 1mg3 s ALA 56 Cb -0.13 -3.04 0.58 0.00 0.00 0.00 0.00 23.12 20.54 1mg3 s ALA 56 CO 0.36 -1.67 1.75 0.00 0.00 0.00 0.00 175.76 176.20 1mg3 h ALA 57 N -1.05 1.24 -4.32 0.00 0.00 -1.90 -3.39 119.26 109.84 1mg3 h ALA 57 Ca -0.47 -0.41 -0.58 0.00 0.00 0.00 0.00 54.91 53.45 1mg3 h ALA 57 Cb 1.29 -0.07 -0.29 0.00 0.00 0.00 0.00 17.79 18.72 1mg3 h ALA 57 CO 0.63 0.56 -0.85 0.14 0.00 0.00 0.00 179.25 179.73 1mg3 s VAL 58 N -4.04 1.57 0.31 0.00 -7.23 -1.26 -2.22 120.40 107.53 1mg3 s VAL 58 Ca -0.03 -0.92 0.04 0.00 -1.81 0.00 0.00 61.98 59.26 1mg3 s VAL 58 Cb 0.14 -1.32 -0.06 0.00 0.56 0.00 0.00 36.38 35.70 1mg3 s VAL 58 CO 0.74 0.38 0.04 0.42 -0.31 0.00 0.00 175.10 176.38 1mg3 s THR 59 N -0.54 1.22 0.01 5.32 -4.23 0.22 -4.85 115.64 112.80 1mg3 s THR 59 Ca 0.07 -2.02 0.02 0.00 -1.18 0.00 0.00 61.69 58.59 1mg3 s THR 59 Cb -0.08 -2.72 -0.01 0.00 1.34 0.00 0.00 72.50 71.04 1mg3 s THR 59 CO -0.00 -0.06 -0.06 -1.10 -0.54 0.00 0.00 174.62 172.86 1mg3 s GLN 60 N -3.87 0.45 -0.14 3.99 -0.21 -1.19 0.32 119.66 119.01 1mg3 s GLN 60 Ca 0.35 -0.31 0.01 0.00 0.02 0.00 0.00 55.36 55.43 1mg3 s GLN 60 Cb 0.08 -0.39 -0.00 0.00 1.00 0.00 0.00 33.01 33.69 1mg3 s GLN 60 CO 0.15 0.10 -0.16 -1.14 -2.12 0.00 0.00 175.29 172.12 1mg3 s GLN 61 N -0.44 3.22 -0.24 2.91 0.74 0.73 -1.06 119.66 125.52 1mg3 s GLN 61 Ca -0.01 -0.76 -0.12 0.00 0.05 0.00 0.00 55.36 54.53 1mg3 s GLN 61 Cb -0.04 -2.58 -0.05 0.00 1.10 0.00 0.00 33.01 31.44 1mg3 s GLN 61 CO -0.00 0.08 0.23 -0.06 -0.55 0.00 0.00 175.29 174.98 1mg3 s PHE 62 N 0.66 3.31 -0.33 1.67 0.40 0.21 -0.56 117.98 123.34 1mg3 s PHE 62 Ca -0.08 0.30 -0.16 0.00 -0.60 0.00 0.00 56.93 56.39 1mg3 s PHE 62 Cb -0.16 -2.36 -0.01 0.00 0.51 0.00 0.00 43.02 41.00 1mg3 s PHE 62 CO 0.02 -0.00 0.42 0.08 0.70 0.00 0.00 175.22 176.44 1mg3 s VAL 63 N 1.29 5.11 0.07 -0.44 1.01 0.60 -1.64 120.40 126.41 1mg3 s VAL 63 Ca 0.10 0.23 0.10 0.00 0.00 0.00 0.00 61.98 62.41 1mg3 s VAL 63 Cb -0.14 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1mg3 s VAL 63 CO 0.06 -0.10 -0.26 -0.63 0.00 0.00 0.00 175.10 174.17 1mg3 s ILE 64 N 2.16 2.12 -0.63 2.22 1.01 0.83 -0.11 121.20 128.80 1mg3 s ILE 64 Ca 0.15 -1.50 -0.17 0.00 0.00 0.00 0.00 60.65 59.12 1mg3 s ILE 64 Cb -0.16 -1.84 0.13 0.00 0.01 0.00 0.00 42.46 40.60 1mg3 s ILE 64 CO 0.12 0.24 0.68 -0.62 0.00 0.00 0.00 174.94 175.36 1mg3 s ASP 65 N -1.53 6.28 0.54 3.58 3.68 -0.49 0.11 116.67 128.85 1mg3 s ASP 65 Ca 0.12 -1.73 0.23 0.00 2.13 0.00 0.00 52.55 53.29 1mg3 s ASP 65 Cb -0.10 -2.27 1.44 0.00 -1.45 0.00 0.00 42.92 40.54 1mg3 s ASP 65 CO 0.03 -0.97 2.11 1.23 0.13 0.00 0.00 175.17 177.70 1mg3 h GLY 66 N 9.42 0.00 0.86 2.66 0.00 -0.56 0.55 103.07 115.99 1mg3 h GLY 66 Ca -0.22 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1mg3 h GLY 66 CO 1.04 0.00 0.05 -2.09 0.00 0.00 0.00 176.54 175.54 1mg3 h GLU 67 N 0.00 0.27 0.00 4.80 4.57 -1.92 -3.19 114.58 119.12 1mg3 h GLU 67 Ca 0.09 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1mg3 h GLU 67 Cb 0.39 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1mg3 h GLU 67 CO -0.00 0.39 -0.82 0.00 -1.18 0.00 0.00 179.01 177.40 1mg3 n ALA 68 N -2.26 3.81 -3.35 2.92 0.00 -0.94 -4.97 120.51 115.72 1mg3 n ALA 68 Ca -0.04 -0.43 -0.17 0.00 0.00 0.00 0.00 53.44 52.79 1mg3 n ALA 68 Cb 0.15 -0.98 0.08 0.00 0.00 0.00 0.00 19.45 18.70 1mg3 n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mg3 n GLY 69 N 1.45 -0.32 3.21 0.00 0.00 0.19 -4.87 105.19 104.86 1mg3 n GLY 69 Ca 0.04 0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 1mg3 n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1mg3 s ARG 70 N -5.53 1.19 -0.36 1.61 3.52 -1.11 -4.65 118.95 113.62 1mg3 s ARG 70 Ca 0.17 -0.90 -0.25 0.00 -0.13 0.00 0.00 55.73 54.62 1mg3 s ARG 70 Cb -0.07 -1.28 0.01 0.00 -1.56 0.00 0.00 34.95 32.04 1mg3 s ARG 70 CO 0.66 0.32 0.87 0.08 -0.81 0.00 0.00 175.30 176.42 1mg3 s VAL 71 N -0.86 4.65 -2.84 7.11 1.01 -1.26 -1.40 120.40 126.81 1mg3 s VAL 71 Ca 0.05 1.09 0.25 0.00 0.00 0.00 0.00 61.98 63.37 1mg3 s VAL 71 Cb -0.09 -4.28 0.29 0.00 0.00 0.00 0.00 36.38 32.30 1mg3 s VAL 71 CO 0.02 -0.48 1.37 2.30 0.00 0.00 0.00 175.10 178.31 1mg3 n ILE 72 N 5.87 0.05 0.00 2.22 -5.35 0.84 -4.98 119.36 118.01 1mg3 n ILE 72 Ca 0.05 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 1mg3 n ILE 72 Cb 0.48 1.24 0.00 0.00 -1.74 0.00 0.00 39.64 39.62 1mg3 n ILE 72 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mg3 n GLY 73 N 1.32 -0.45 3.32 3.28 0.00 -1.01 -4.72 105.19 106.95 1mg3 n GLY 73 Ca 0.15 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 1mg3 n GLY 73 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1mg3 s MET 74 N -2.00 1.08 -0.05 1.61 -1.94 -1.26 -0.29 119.30 116.45 1mg3 s MET 74 Ca 0.00 -0.97 -0.02 0.00 -1.71 0.00 0.00 55.69 53.00 1mg3 s MET 74 Cb 0.00 0.41 0.04 0.00 2.01 0.00 0.00 34.83 37.28 1mg3 s MET 74 CO 0.00 -0.40 0.09 0.42 -0.01 0.00 0.00 175.02 175.12 1mg3 s ILE 75 N -3.89 -0.08 0.49 2.53 1.01 0.27 -4.93 121.20 116.62 1mg3 s ILE 75 Ca 0.09 0.23 -0.17 0.00 0.00 0.00 0.00 60.65 60.80 1mg3 s ILE 75 Cb 0.03 -0.17 -0.08 0.00 0.01 0.00 0.00 42.46 42.24 1mg3 s ILE 75 CO -0.06 0.09 0.97 -1.81 0.00 0.00 0.00 174.94 174.13 1mg3 s ASP 76 N 1.30 6.68 0.20 3.58 1.01 -1.26 -0.19 116.67 127.98 1mg3 s ASP 76 Ca -0.07 1.57 -0.06 0.00 0.71 0.00 0.00 52.55 54.70 1mg3 s ASP 76 Cb -0.12 -2.50 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 1mg3 s ASP 76 CO -0.05 -0.53 0.26 -0.83 0.21 0.00 0.00 175.17 174.23 1mg3 s GLY 77 N -2.91 0.90 0.00 0.21 0.00 0.15 -4.89 107.32 100.79 1mg3 s GLY 77 Ca 0.59 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 44.06 1mg3 s GLY 77 CO 0.28 -1.04 0.00 0.61 0.00 0.00 0.00 173.10 172.95 1mg3 n GLY 78 N -0.27 1.62 3.69 0.20 0.00 -1.26 -0.61 105.19 108.57 1mg3 n GLY 78 Ca -0.02 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 1mg3 n GLY 78 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1mg3 s PHE 79 N 2.17 2.83 -0.83 1.61 5.36 0.24 -3.32 117.98 126.04 1mg3 s PHE 79 Ca 0.00 0.78 -0.06 0.00 -0.96 0.00 0.00 56.93 56.68 1mg3 s PHE 79 Cb 0.00 -3.69 0.01 0.00 -0.34 0.00 0.00 43.02 38.99 1mg3 s PHE 79 CO 0.00 -2.59 0.12 1.28 -1.46 0.00 0.00 175.22 172.57 1mg3 n LEU 80 N 5.30 -0.40 -4.75 6.12 4.32 -1.26 -4.12 117.00 122.22 1mg3 n LEU 80 Ca 0.13 -0.74 -0.32 0.00 -0.02 0.00 0.00 56.01 55.07 1mg3 n LEU 80 Cb 0.43 -0.90 0.09 0.00 -1.62 0.00 0.00 43.42 41.42 1mg3 n LEU 80 CO 0.59 0.33 0.72 -2.16 -1.22 0.00 0.00 177.39 175.65 1mg3 s PRO 81 N -5.79 2.18 -0.24 3.23 0.04 -1.26 -4.78 135.00 128.39 1mg3 s PRO 81 Ca 0.09 1.35 -0.06 0.00 0.04 0.00 0.00 61.00 62.42 1mg3 s PRO 81 Cb -0.05 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 1mg3 s PRO 81 CO 0.57 -1.72 0.02 -0.80 0.04 0.00 0.00 177.00 175.10 1mg3 s ASN 82 N -2.92 4.76 -0.10 6.66 0.01 -0.11 -4.89 114.94 118.35 1mg3 s ASN 82 Ca 0.65 -0.33 -0.12 0.00 -0.71 0.00 0.00 52.86 52.34 1mg3 s ASN 82 Cb -0.20 -1.84 -0.05 0.00 0.41 0.00 0.00 41.25 39.57 1mg3 s ASN 82 CO 0.51 -0.04 0.29 -2.16 -1.51 0.00 0.00 177.10 174.19 1mg3 s PRO 83 N 1.54 3.93 0.23 -0.60 0.04 -1.26 -0.81 135.00 138.08 1mg3 s PRO 83 Ca 0.06 0.14 0.07 0.00 0.04 0.00 0.00 61.00 61.31 1mg3 s PRO 83 Cb -0.15 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.04 1mg3 s PRO 83 CO 0.00 0.53 -0.11 0.14 0.04 0.00 0.00 177.00 177.61 1mg3 s VAL 84 N -0.44 1.70 -0.21 -0.36 -7.23 -0.03 -4.98 120.40 108.85 1mg3 s VAL 84 Ca 0.19 -2.18 -0.04 0.00 -1.81 0.00 0.00 61.98 58.14 1mg3 s VAL 84 Cb -0.14 -2.21 0.10 0.00 0.56 0.00 0.00 36.38 34.69 1mg3 s VAL 84 CO 0.07 -0.48 0.24 -0.69 -0.31 0.00 0.00 175.10 173.94 1mg3 s VAL 85 N -2.99 -0.37 0.04 1.32 1.01 -1.26 -2.70 120.40 115.45 1mg3 s VAL 85 Ca 0.25 -0.09 -0.36 0.00 0.00 0.00 0.00 61.98 61.78 1mg3 s VAL 85 Cb 0.01 -0.69 -0.15 0.00 0.00 0.00 0.00 36.38 35.55 1mg3 s VAL 85 CO 0.09 -0.18 1.56 0.00 0.00 0.00 0.00 175.10 176.56 1mg3 n ALA 86 N 5.33 0.21 -0.22 5.51 0.00 -0.85 -4.82 120.51 125.67 1mg3 n ALA 86 Ca -0.05 0.44 0.06 0.00 0.00 0.00 0.00 53.44 53.89 1mg3 n ALA 86 Cb 0.50 -2.25 0.33 0.00 0.00 0.00 0.00 19.45 18.02 1mg3 n ALA 86 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1mg3 h ASP 87 N 6.06 0.72 0.00 0.00 3.32 -1.89 -1.68 116.42 122.95 1mg3 h ASP 87 Ca -0.47 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1mg3 h ASP 87 Cb 1.30 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1mg3 h ASP 87 CO 0.87 0.46 0.00 -0.90 -1.72 0.00 0.00 179.24 177.95 1mg3 n ASP 88 N -4.48 0.00 -0.01 6.45 5.68 -1.26 -3.55 116.55 119.37 1mg3 n ASP 88 Ca 0.12 -0.97 -0.00 0.00 -0.50 0.00 0.00 54.79 53.43 1mg3 n ASP 88 Cb 0.23 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.21 1mg3 n ASP 88 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mg3 n GLY 89 N 0.45 0.29 0.20 6.12 0.00 -0.63 -4.89 105.19 106.73 1mg3 n GLY 89 Ca 0.13 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.20 1mg3 n GLY 89 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1mg3 h SER 90 N 0.00 0.00 -5.12 1.61 4.64 -1.90 -3.44 113.55 109.34 1mg3 h SER 90 Ca -0.00 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.50 1mg3 h SER 90 Cb 0.45 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.42 1mg3 h SER 90 CO 0.00 0.35 0.54 0.72 -0.87 0.00 0.00 176.83 177.58 1mg3 s PHE 91 N -3.83 -0.18 0.05 4.77 -0.12 -1.26 -4.29 117.98 113.11 1mg3 s PHE 91 Ca -0.01 -0.03 0.02 0.00 -0.05 0.00 0.00 56.93 56.85 1mg3 s PHE 91 Cb 0.12 0.59 -0.03 0.00 -0.63 0.00 0.00 43.02 43.08 1mg3 s PHE 91 CO 0.68 -0.65 -0.07 0.96 -0.05 0.00 0.00 175.22 176.10 1mg3 s ILE 92 N -3.09 0.51 0.32 -4.49 -4.36 -0.96 -2.01 121.20 107.12 1mg3 s ILE 92 Ca 0.10 -1.18 -0.15 0.00 -0.26 0.00 0.00 60.65 59.16 1mg3 s ILE 92 Cb -0.00 -0.72 0.03 0.00 1.25 0.00 0.00 42.46 43.01 1mg3 s ILE 92 CO -0.02 -0.47 0.66 0.00 0.24 0.00 0.00 174.94 175.36 1mg3 s ALA 93 N -1.71 -0.58 0.16 2.27 0.00 -1.10 0.13 121.76 120.93 1mg3 s ALA 93 Ca -0.08 -0.75 -0.22 0.00 0.00 0.00 0.00 51.96 50.92 1mg3 s ALA 93 Cb -0.08 0.87 0.06 0.00 0.00 0.00 0.00 23.12 23.98 1mg3 s ALA 93 CO -0.01 -0.95 0.58 -3.38 0.00 0.00 0.00 175.76 172.00 1mg3 s HIS 94 N -3.23 -0.46 -0.28 0.00 -3.43 -0.61 -0.85 115.29 106.43 1mg3 s HIS 94 Ca 0.18 0.22 -0.08 0.00 -0.80 0.00 0.00 55.06 54.58 1mg3 s HIS 94 Cb -0.04 0.52 -0.02 0.00 -1.43 0.00 0.00 32.58 31.62 1mg3 s HIS 94 CO 0.11 -0.85 0.11 0.00 -2.00 0.00 0.00 174.74 172.10 1mg3 s ALA 95 N -3.77 3.20 0.53 -1.38 0.00 0.01 -1.50 121.76 118.85 1mg3 s ALA 95 Ca 0.02 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1mg3 s ALA 95 Cb -0.01 -2.22 -0.00 0.00 0.00 0.00 0.00 23.12 20.89 1mg3 s ALA 95 CO -0.11 -0.71 0.01 0.45 0.00 0.00 0.00 175.76 175.39 1mg3 s SER 96 N 1.60 4.18 -0.14 0.00 0.15 0.50 -0.93 113.70 119.07 1mg3 s SER 96 Ca 0.05 -1.70 -0.12 0.00 0.70 0.00 0.00 55.95 54.88 1mg3 s SER 96 Cb -0.16 0.68 0.04 0.00 -1.71 0.00 0.00 66.02 64.87 1mg3 s SER 96 CO 0.05 -0.93 0.36 -0.89 1.20 0.00 0.00 173.24 173.03 1mg3 s THR 97 N -2.90 -0.00 0.04 6.45 2.01 -1.26 -1.91 115.64 118.07 1mg3 s THR 97 Ca 0.01 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 61.93 1mg3 s THR 97 Cb 0.00 -0.51 0.00 0.00 0.01 0.00 0.00 72.50 72.00 1mg3 s THR 97 CO 0.01 0.00 0.18 0.68 -0.69 0.00 0.00 174.62 174.80 1mg3 s VAL 98 N 0.24 0.11 0.05 3.82 -7.23 -0.65 -0.59 120.40 116.15 1mg3 s VAL 98 Ca -0.00 -0.94 0.08 0.00 -1.81 0.00 0.00 61.98 59.31 1mg3 s VAL 98 Cb -0.03 -0.95 -0.03 0.00 0.56 0.00 0.00 36.38 35.93 1mg3 s VAL 98 CO -0.00 -0.52 -0.24 -0.36 -0.31 0.00 0.00 175.10 173.67 1mg3 s PHE 99 N -2.69 2.08 0.61 2.82 0.08 -1.26 -0.74 117.98 118.88 1mg3 s PHE 99 Ca -0.04 -0.39 0.31 0.00 0.12 0.00 0.00 56.93 56.93 1mg3 s PHE 99 Cb -0.01 -1.24 1.75 0.00 -0.57 0.00 0.00 43.02 42.96 1mg3 s PHE 99 CO -0.05 0.12 2.11 0.66 -0.10 0.00 0.00 175.22 177.96 1mg3 h SER 100 N 4.78 0.00 -2.06 1.36 4.64 -1.19 -3.19 113.55 117.89 1mg3 h SER 100 Ca -0.45 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.30 1mg3 h SER 100 Cb 1.15 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.84 1mg3 h SER 100 CO 0.43 0.00 -0.97 0.54 -0.87 0.00 0.00 176.83 175.96 1mg3 n ARG 101 N -3.58 1.17 0.00 4.77 5.12 0.69 -4.97 116.66 119.86 1mg3 n ARG 101 Ca 0.01 -3.60 0.00 0.00 -1.93 0.00 0.00 57.85 52.33 1mg3 n ARG 101 Cb 0.31 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 1mg3 n ARG 101 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1mg3 n ILE 102 N 1.30 0.00 0.25 0.55 -0.00 -1.21 -1.30 119.36 118.96 1mg3 n ILE 102 Ca 0.23 0.00 0.10 0.00 -0.00 0.00 0.00 62.75 63.08 1mg3 n ILE 102 Cb 0.50 0.00 0.17 0.00 -0.00 0.00 0.00 39.64 40.31 1mg3 n ILE 102 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1mg3 n ALA 103 N 7.05 2.39 -2.31 -1.39 0.00 -1.26 -3.99 120.51 121.00 1mg3 n ALA 103 Ca 0.00 -0.95 -0.16 0.00 0.00 0.00 0.00 53.44 52.33 1mg3 n ALA 103 Cb 0.00 -0.70 -0.10 0.00 0.00 0.00 0.00 19.45 18.65 1mg3 n ALA 103 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1mg3 s ARG 104 N -1.30 1.31 0.00 0.00 3.52 -0.42 -5.02 118.95 117.04 1mg3 s ARG 104 Ca 0.31 -1.67 0.00 0.00 -0.13 0.00 0.00 55.73 54.24 1mg3 s ARG 104 Cb 0.18 -0.45 0.00 0.00 -1.56 0.00 0.00 34.95 33.12 1mg3 s ARG 104 CO 0.26 -0.16 0.00 0.41 -0.81 0.00 0.00 175.30 175.00 1mg3 n GLY 105 N -0.40 -1.64 3.70 8.12 0.00 -1.26 -0.22 105.19 113.48 1mg3 n GLY 105 Ca -0.04 -2.06 -0.44 0.00 0.00 0.00 0.00 46.02 43.48 1mg3 n GLY 105 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1mg3 n GLU 106 N 0.00 2.49 -3.52 1.61 2.13 -1.26 -4.58 120.64 117.51 1mg3 n GLU 106 Ca 0.00 0.90 -0.32 0.00 0.66 0.00 0.00 57.16 58.39 1mg3 n GLU 106 Cb 0.00 -2.70 -0.05 0.00 0.27 0.00 0.00 31.44 28.96 1mg3 n GLU 106 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1mg3 s ARG 107 N 0.90 3.75 -0.20 5.31 3.52 -1.26 -1.11 118.95 129.86 1mg3 s ARG 107 Ca 0.76 0.16 -0.04 0.00 -0.13 0.00 0.00 55.73 56.48 1mg3 s ARG 107 Cb -0.58 -2.78 0.10 0.00 -1.56 0.00 0.00 34.95 30.13 1mg3 s ARG 107 CO 0.36 0.41 0.26 0.99 -0.81 0.00 0.00 175.30 176.51 1mg3 s THR 108 N -1.69 -0.39 -0.05 4.11 2.01 0.08 -4.84 115.64 114.87 1mg3 s THR 108 Ca 0.43 -0.03 -0.12 0.00 0.31 0.00 0.00 61.69 62.28 1mg3 s THR 108 Cb -0.12 -0.66 -0.05 0.00 0.01 0.00 0.00 72.50 71.68 1mg3 s THR 108 CO 0.22 -0.13 0.31 -1.81 -0.69 0.00 0.00 174.62 172.52 1mg3 s ASP 109 N 2.38 6.66 0.29 3.53 1.01 -1.26 -1.64 116.67 127.64 1mg3 s ASP 109 Ca 0.07 0.78 -0.16 0.00 0.71 0.00 0.00 52.55 53.95 1mg3 s ASP 109 Cb -0.15 -2.19 0.02 0.00 1.01 0.00 0.00 42.92 41.61 1mg3 s ASP 109 CO -0.12 0.35 0.63 -0.72 0.21 0.00 0.00 175.17 175.52 1mg3 s TYR 110 N -1.03 0.16 -0.07 4.23 1.13 -0.80 -0.24 117.35 120.72 1mg3 s TYR 110 Ca 0.20 -0.60 0.02 0.00 -1.41 0.00 0.00 57.07 55.28 1mg3 s TYR 110 Cb -0.15 0.49 0.01 0.00 -1.10 0.00 0.00 41.96 41.21 1mg3 s TYR 110 CO 0.10 -1.20 -0.13 0.08 -2.51 0.00 0.00 175.55 171.88 1mg3 s VAL 111 N -3.61 1.23 0.12 -3.49 1.01 0.20 -0.37 120.40 115.49 1mg3 s VAL 111 Ca 0.17 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.70 1mg3 s VAL 111 Cb -0.04 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1mg3 s VAL 111 CO 0.10 0.38 -0.12 -1.61 0.00 0.00 0.00 175.10 173.84 1mg3 s GLU 112 N 0.68 2.03 -0.03 2.72 2.02 -0.56 0.30 118.70 125.86 1mg3 s GLU 112 Ca -0.14 -1.09 0.05 0.00 0.02 0.00 0.00 54.97 53.81 1mg3 s GLU 112 Cb -0.16 -2.24 -0.01 0.00 0.10 0.00 0.00 34.13 31.82 1mg3 s GLU 112 CO 0.04 0.49 -0.17 0.08 0.02 0.00 0.00 175.26 175.72 1mg3 s VAL 113 N -1.25 1.39 -0.01 2.63 1.01 -0.07 -1.57 120.40 122.54 1mg3 s VAL 113 Ca 0.21 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.52 1mg3 s VAL 113 Cb -0.11 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 1mg3 s VAL 113 CO 0.13 0.40 -0.18 -0.36 0.00 0.00 0.00 175.10 175.09 1mg3 s PHE 114 N -0.15 1.63 0.10 5.22 0.08 0.34 0.10 117.98 125.29 1mg3 s PHE 114 Ca 0.01 -0.31 -0.31 0.00 0.12 0.00 0.00 56.93 56.43 1mg3 s PHE 114 Cb -0.09 -1.04 -0.09 0.00 -0.57 0.00 0.00 43.02 41.23 1mg3 s PHE 114 CO 0.01 -0.01 1.66 0.34 -0.10 0.00 0.00 175.22 177.11 1mg3 s ASP 115 N -0.52 6.57 0.15 1.36 -1.08 -0.95 -2.28 116.67 119.93 1mg3 s ASP 115 Ca 0.07 2.55 0.12 0.00 -0.52 0.00 0.00 52.55 54.77 1mg3 s ASP 115 Cb -0.07 -2.57 0.61 0.00 -1.46 0.00 0.00 42.92 39.43 1mg3 s ASP 115 CO -0.00 -0.89 1.37 -0.81 0.52 0.00 0.00 175.17 175.35 1mg3 n PRO 116 N 5.24 0.07 -0.05 4.34 -0.04 -1.26 -0.58 135.00 142.73 1mg3 n PRO 116 Ca 0.16 0.53 -0.06 0.00 -0.04 0.00 0.00 63.50 64.09 1mg3 n PRO 116 Cb 0.40 -1.72 -0.05 0.00 -0.04 0.00 0.00 33.50 32.09 1mg3 n PRO 116 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1mg3 n VAL 117 N -1.87 0.56 1.00 0.52 0.31 -1.26 -4.68 118.33 112.90 1mg3 n VAL 117 Ca -0.00 -0.26 0.10 0.00 -0.01 0.00 0.00 64.34 64.18 1mg3 n VAL 117 Cb 0.05 -0.83 -0.06 0.00 -0.91 0.00 0.00 33.84 32.08 1mg3 n VAL 117 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1mg3 n THR 118 N -2.62 0.00 -0.90 2.52 -2.24 -1.20 -0.29 114.28 109.54 1mg3 n THR 118 Ca -0.16 -0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.60 1mg3 n THR 118 Cb 0.71 0.88 -0.01 0.00 -2.10 0.00 0.00 70.33 69.82 1mg3 n THR 118 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1mg3 n LEU 119 N -1.50 0.59 -4.74 3.22 4.32 0.25 -4.92 117.00 114.22 1mg3 n LEU 119 Ca 0.04 0.05 -0.41 0.00 -0.02 0.00 0.00 56.01 55.67 1mg3 n LEU 119 Cb 0.33 -2.18 -0.04 0.00 -1.62 0.00 0.00 43.42 39.91 1mg3 n LEU 119 CO 0.42 -0.83 0.74 -0.76 -1.22 0.00 0.00 177.39 175.74 1mg3 s LEU 120 N -0.48 4.52 0.18 2.23 1.02 -1.26 -4.71 118.68 120.18 1mg3 s LEU 120 Ca 0.00 2.00 -0.31 0.00 0.02 0.00 0.00 54.13 55.84 1mg3 s LEU 120 Cb 0.00 -3.60 -0.10 0.00 0.02 0.00 0.00 46.19 42.51 1mg3 s LEU 120 CO 0.00 -0.12 1.55 -2.16 0.02 0.00 0.00 176.35 175.63 1mg3 s PRO 121 N -0.46 4.22 -0.00 1.29 0.04 -1.26 -2.23 135.00 136.60 1mg3 s PRO 121 Ca 0.47 2.36 0.15 0.00 0.04 0.00 0.00 61.00 64.01 1mg3 s PRO 121 Cb -0.27 -3.14 -0.17 0.00 0.04 0.00 0.00 34.50 30.95 1mg3 s PRO 121 CO 0.34 -0.57 0.56 0.25 0.04 0.00 0.00 177.00 177.61 1mg3 n THR 122 N 3.63 0.00 -3.65 1.26 -2.24 0.28 -4.92 114.28 108.64 1mg3 n THR 122 Ca 0.12 -0.19 -0.12 0.00 -2.27 0.00 0.00 64.05 61.59 1mg3 n THR 122 Cb 0.39 0.83 -0.08 0.00 -2.10 0.00 0.00 70.33 69.37 1mg3 n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mg3 s ALA 123 N -2.52 -1.61 -0.39 6.98 0.00 -1.18 -4.94 121.76 118.10 1mg3 s ALA 123 Ca 0.03 1.92 0.01 0.00 0.00 0.00 0.00 51.96 53.92 1mg3 s ALA 123 Cb 0.11 -1.12 0.13 0.00 0.00 0.00 0.00 23.12 22.23 1mg3 s ALA 123 CO 0.61 -0.32 0.20 0.34 0.00 0.00 0.00 175.76 176.59 1mg3 s ASP 124 N 0.68 3.54 -0.34 0.00 -1.08 -1.26 -0.89 116.67 117.33 1mg3 s ASP 124 Ca -0.03 -2.28 -0.14 0.00 -0.52 0.00 0.00 52.55 49.59 1mg3 s ASP 124 Cb -0.05 -0.81 -0.02 0.00 -1.46 0.00 0.00 42.92 40.58 1mg3 s ASP 124 CO -0.04 -0.31 0.30 -0.63 0.52 0.00 0.00 175.17 175.00 1mg3 s ILE 125 N 0.84 5.23 0.45 4.11 1.01 0.15 -4.91 121.20 128.08 1mg3 s ILE 125 Ca 0.16 -0.06 -0.21 0.00 0.00 0.00 0.00 60.65 60.53 1mg3 s ILE 125 Cb -0.23 -3.76 -0.09 0.00 0.01 0.00 0.00 42.46 38.39 1mg3 s ILE 125 CO -0.05 -0.04 1.02 -0.70 0.00 0.00 0.00 174.94 175.17 1mg3 s GLU 126 N 1.87 4.00 -0.14 2.79 2.12 -1.26 0.62 118.70 128.69 1mg3 s GLU 126 Ca 0.09 1.34 -0.02 0.00 0.36 0.00 0.00 54.97 56.74 1mg3 s GLU 126 Cb -0.17 -2.23 -0.02 0.00 0.26 0.00 0.00 34.13 31.97 1mg3 s GLU 126 CO 0.11 -0.26 -0.08 -0.51 -0.54 0.00 0.00 175.26 173.98 1mg3 s LEU 127 N -3.19 3.01 0.31 2.70 1.43 0.66 -4.61 118.68 118.99 1mg3 s LEU 127 Ca 0.64 -0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 53.22 1mg3 s LEU 127 Cb -0.16 -1.71 -0.10 0.00 0.03 0.00 0.00 46.19 44.25 1mg3 s LEU 127 CO 0.20 0.16 1.24 -2.84 0.23 0.00 0.00 176.35 175.35 1mg3 s PRO 128 N 0.37 4.45 -1.40 1.29 0.02 -1.26 -4.11 135.00 134.36 1mg3 s PRO 128 Ca -0.07 2.08 -0.07 0.00 0.02 0.00 0.00 61.00 62.96 1mg3 s PRO 128 Cb -0.15 -3.11 0.04 0.00 0.02 0.00 0.00 34.50 31.30 1mg3 s PRO 128 CO 0.04 -0.06 0.91 -0.25 -0.33 0.00 0.00 177.00 177.30 1mg3 n ASP 129 N 1.00 -3.46 -3.86 2.53 8.00 -1.26 -3.53 116.55 115.96 1mg3 n ASP 129 Ca -0.00 -0.75 -0.30 0.00 0.71 0.00 0.00 54.79 54.45 1mg3 n ASP 129 Cb 0.43 -4.19 0.01 0.00 -0.02 0.00 0.00 41.12 37.35 1mg3 n ASP 129 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mg3 n ALA 130 N -4.54 -2.16 0.52 2.24 0.00 -1.26 -4.83 120.51 110.48 1mg3 n ALA 130 Ca -0.11 -0.38 0.13 0.00 0.00 0.00 0.00 53.44 53.08 1mg3 n ALA 130 Cb 0.60 -1.50 0.41 0.00 0.00 0.00 0.00 19.45 18.95 1mg3 n ALA 130 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1mg3 h PRO 131 N -0.71 0.00 -6.96 0.00 0.13 -1.83 -3.47 132.00 119.15 1mg3 h PRO 131 Ca -0.49 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.08 1mg3 h PRO 131 Cb 0.98 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.24 1mg3 h PRO 131 CO 0.34 0.00 0.60 0.54 -0.23 0.00 0.00 178.00 179.25 1mg3 n ARG 132 N -2.39 1.96 -2.95 0.86 1.74 -1.26 -4.52 116.66 110.09 1mg3 n ARG 132 Ca 0.04 0.70 -0.43 0.00 -0.77 0.00 0.00 57.85 57.40 1mg3 n ARG 132 Cb 0.39 -2.54 -0.05 0.00 -1.02 0.00 0.00 32.46 29.24 1mg3 n ARG 132 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1mg3 s PHE 133 N -1.23 2.97 -0.62 -1.55 5.36 -1.12 -4.88 117.98 116.91 1mg3 s PHE 133 Ca 0.65 0.14 -0.24 0.00 -0.96 0.00 0.00 56.93 56.51 1mg3 s PHE 133 Cb -0.45 -3.71 0.05 0.00 -0.34 0.00 0.00 43.02 38.57 1mg3 s PHE 133 CO 0.55 -1.03 1.02 -0.51 -1.46 0.00 0.00 175.22 173.79 1mg3 s LEU 134 N 3.35 3.99 0.24 6.12 1.43 -1.26 -4.97 118.68 127.58 1mg3 s LEU 134 Ca 0.30 -0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 52.74 1mg3 s LEU 134 Cb -0.12 -2.68 -0.00 0.00 0.03 0.00 0.00 46.19 43.41 1mg3 s LEU 134 CO 0.22 -1.41 0.47 0.54 0.23 0.00 0.00 176.35 176.40 1mg3 s VAL 135 N 4.35 0.01 0.27 -1.59 0.11 -1.26 -5.12 120.40 117.16 1mg3 s VAL 135 Ca 0.29 -1.38 -0.29 0.00 -2.93 0.00 0.00 61.98 57.68 1mg3 s VAL 135 Cb -0.13 -2.15 -0.14 0.00 -1.53 0.00 0.00 36.38 32.43 1mg3 s VAL 135 CO 0.16 -0.02 1.14 0.61 -3.33 0.00 0.00 175.10 173.66 1mg3 n GLY 136 N -0.37 0.08 3.57 6.54 0.00 -1.26 -4.72 105.19 109.02 1mg3 n GLY 136 Ca -0.02 0.39 -0.46 0.00 0.00 0.00 0.00 46.02 45.92 1mg3 n GLY 136 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1mg3 n THR 137 N 0.71 0.36 -4.00 2.61 -1.04 -1.26 -4.95 114.28 106.71 1mg3 n THR 137 Ca 0.10 -0.32 -0.34 0.00 -2.04 0.00 0.00 64.05 61.45 1mg3 n THR 137 Cb 0.31 -2.14 -0.15 0.00 -1.82 0.00 0.00 70.33 66.54 1mg3 n THR 137 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1mg3 s TYR 138 N 7.09 3.12 0.21 -1.42 2.02 -1.26 -4.97 117.35 122.14 1mg3 s TYR 138 Ca 1.02 -1.81 -0.20 0.00 -0.37 0.00 0.00 57.07 55.71 1mg3 s TYR 138 Cb -0.57 -2.02 0.17 0.00 -0.40 0.00 0.00 41.96 39.14 1mg3 s TYR 138 CO 0.43 -0.79 1.51 -2.30 -1.57 0.00 0.00 175.55 172.83 1mg3 n PRO 139 N 4.60 -0.27 -0.61 -1.71 -0.02 -1.26 -1.57 135.00 134.16 1mg3 n PRO 139 Ca -0.16 1.50 -0.07 0.00 -2.02 0.00 0.00 63.50 62.75 1mg3 n PRO 139 Cb 0.45 -2.22 0.02 0.00 -0.02 0.00 0.00 33.50 31.74 1mg3 n PRO 139 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1mg3 n TRP 140 N -5.39 0.71 0.10 6.00 7.02 -1.26 -3.36 117.44 121.26 1mg3 n TRP 140 Ca 0.08 -1.34 0.05 0.00 -1.02 0.00 0.00 57.50 55.28 1mg3 n TRP 140 Cb 0.36 -0.66 0.10 0.00 -2.42 0.00 0.00 31.31 28.70 1mg3 n TRP 140 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 1mg3 n MET 141 N 0.81 1.83 -3.64 -0.99 2.81 -0.61 -0.97 117.12 116.37 1mg3 n MET 141 Ca 0.14 -1.64 -0.03 0.00 -1.81 0.00 0.00 57.70 54.36 1mg3 n MET 141 Cb 0.58 -1.23 -0.05 0.00 -0.71 0.00 0.00 33.22 31.80 1mg3 n MET 141 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1mg3 s THR 142 N -0.95 -0.59 0.05 2.03 2.01 -1.21 -1.60 115.64 115.37 1mg3 s THR 142 Ca 0.18 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.18 1mg3 s THR 142 Cb 0.10 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 1mg3 s THR 142 CO 0.14 0.00 -0.04 -0.44 -0.69 0.00 0.00 174.62 173.59 1mg3 s SER 143 N 2.39 0.60 -0.17 3.53 0.01 0.37 -4.91 113.70 115.52 1mg3 s SER 143 Ca -0.07 -0.90 -0.07 0.00 1.31 0.00 0.00 55.95 56.22 1mg3 s SER 143 Cb -0.09 0.16 -0.04 0.00 0.21 0.00 0.00 66.02 66.26 1mg3 s SER 143 CO -0.19 -0.51 0.05 -0.22 0.41 0.00 0.00 173.24 172.78 1mg3 s LEU 144 N -2.66 3.77 0.63 2.44 2.96 -1.26 0.13 118.68 124.69 1mg3 s LEU 144 Ca 0.04 0.09 -0.16 0.00 -0.22 0.00 0.00 54.13 53.88 1mg3 s LEU 144 Cb 0.04 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.77 1mg3 s LEU 144 CO -0.07 0.20 1.10 0.42 -1.32 0.00 0.00 176.35 176.68 1mg3 s THR 145 N 0.19 3.35 0.43 3.68 -4.23 -0.26 -4.73 115.64 114.08 1mg3 s THR 145 Ca 0.04 0.66 0.24 0.00 -1.18 0.00 0.00 61.69 61.45 1mg3 s THR 145 Cb -0.12 -3.19 0.44 0.00 1.34 0.00 0.00 72.50 70.97 1mg3 s THR 145 CO 0.01 -0.36 1.74 -0.65 -0.54 0.00 0.00 174.62 174.82 1mg3 h PRO 146 N 0.28 0.25 0.00 3.99 0.11 -1.87 0.12 132.00 134.88 1mg3 h PRO 146 Ca -0.47 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1mg3 h PRO 146 Cb 1.24 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1mg3 h PRO 146 CO 0.55 0.16 -0.03 0.38 -0.21 0.00 0.00 178.00 178.86 1mg3 h ASP 147 N 0.26 0.00 -0.03 -2.05 3.04 -1.92 -3.47 116.42 112.25 1mg3 h ASP 147 Ca 0.64 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 54.42 1mg3 h ASP 147 Cb 1.89 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 40.18 1mg3 h ASP 147 CO -0.27 0.03 -0.01 0.61 -2.04 0.00 0.00 179.24 177.56 1mg3 n GLY 148 N 0.49 0.45 0.01 7.15 0.00 0.42 -4.91 105.19 108.80 1mg3 n GLY 148 Ca 0.02 -0.82 0.10 0.00 0.00 0.00 0.00 46.02 45.33 1mg3 n GLY 148 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mg3 n LYS 149 N -2.95 0.60 -4.49 1.61 5.02 -1.26 -4.82 118.16 111.86 1mg3 n LYS 149 Ca -0.01 -0.17 -0.21 0.00 -2.02 0.00 0.00 58.31 55.90 1mg3 n LYS 149 Cb 0.02 -1.49 -0.15 0.00 -0.02 0.00 0.00 35.03 33.39 1mg3 n LYS 149 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1mg3 s THR 150 N -3.37 0.92 -0.10 -0.18 2.01 -1.26 -1.11 115.64 112.54 1mg3 s THR 150 Ca -0.06 -0.45 -0.00 0.00 0.31 0.00 0.00 61.69 61.49 1mg3 s THR 150 Cb 0.13 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 1mg3 s THR 150 CO 0.86 0.28 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.76 1mg3 s LEU 151 N 0.07 3.03 -0.16 4.42 0.20 -0.64 -1.10 118.68 124.51 1mg3 s LEU 151 Ca -0.02 -0.14 0.01 0.00 0.69 0.00 0.00 54.13 54.67 1mg3 s LEU 151 Cb -0.08 -1.68 0.01 0.00 -0.43 0.00 0.00 46.19 44.00 1mg3 s LEU 151 CO 0.01 0.26 -0.18 -0.76 -0.29 0.00 0.00 176.35 175.38 1mg3 s LEU 152 N -0.21 2.28 0.16 -0.68 1.43 0.34 -0.88 118.68 121.12 1mg3 s LEU 152 Ca 0.02 -0.55 0.11 0.00 -1.03 0.00 0.00 54.13 52.68 1mg3 s LEU 152 Cb -0.13 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 1mg3 s LEU 152 CO 0.03 0.06 -0.25 0.72 0.23 0.00 0.00 176.35 177.14 1mg3 s PHE 153 N 0.92 2.32 0.35 0.29 -0.12 -0.96 0.14 117.98 120.92 1mg3 s PHE 153 Ca -0.04 -0.36 -0.07 0.00 -0.05 0.00 0.00 56.93 56.41 1mg3 s PHE 153 Cb -0.15 -1.20 -0.05 0.00 -0.63 0.00 0.00 43.02 40.98 1mg3 s PHE 153 CO -0.03 0.42 0.66 -0.47 -0.05 0.00 0.00 175.22 175.75 1mg3 s TYR 154 N -1.37 3.48 -0.03 3.49 5.04 -0.63 -0.38 117.35 126.95 1mg3 s TYR 154 Ca 0.18 0.79 0.01 0.00 -2.44 0.00 0.00 57.07 55.60 1mg3 s TYR 154 Cb -0.09 -2.23 0.02 0.00 0.35 0.00 0.00 41.96 40.01 1mg3 s TYR 154 CO 0.08 0.02 -0.02 -1.14 -1.34 0.00 0.00 175.55 173.16 1mg3 s GLN 155 N -3.83 0.43 -0.19 4.97 0.74 0.92 -2.80 119.66 119.90 1mg3 s GLN 155 Ca 0.47 0.00 0.13 0.00 0.05 0.00 0.00 55.36 56.01 1mg3 s GLN 155 Cb -0.10 -0.54 -0.21 0.00 1.10 0.00 0.00 33.01 33.26 1mg3 s GLN 155 CO 0.32 -0.09 0.01 0.34 -0.55 0.00 0.00 175.29 175.32 1mg3 n PHE 156 N 3.95 0.00 -4.21 1.67 7.35 -1.26 -1.53 117.46 123.44 1mg3 n PHE 156 Ca -0.25 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.24 1mg3 n PHE 156 Cb 0.51 -0.91 -0.12 0.00 0.35 0.00 0.00 39.48 39.32 1mg3 n PHE 156 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1mg3 s SER 157 N -5.46 1.93 0.05 -2.13 0.15 -1.26 -3.51 113.70 103.46 1mg3 s SER 157 Ca -0.14 -0.64 0.17 0.00 0.70 0.00 0.00 55.95 56.04 1mg3 s SER 157 Cb 0.06 -0.08 0.71 0.00 -1.71 0.00 0.00 66.02 65.00 1mg3 s SER 157 CO 0.71 -0.04 1.53 -0.81 1.20 0.00 0.00 173.24 175.83 1mg3 n PRO 158 N 1.22 0.04 -3.51 5.44 -0.04 -1.26 -4.94 135.00 131.94 1mg3 n PRO 158 Ca -0.21 0.27 -0.17 0.00 -0.04 0.00 0.00 63.50 63.36 1mg3 n PRO 158 Cb 0.54 -1.57 -0.06 0.00 -0.04 0.00 0.00 33.50 32.37 1mg3 n PRO 158 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mg3 s ALA 159 N -3.06 -1.76 -0.20 0.55 0.00 -1.23 -5.12 121.76 110.94 1mg3 s ALA 159 Ca 0.07 1.26 -0.38 0.00 0.00 0.00 0.00 51.96 52.91 1mg3 s ALA 159 Cb 0.10 0.04 -0.14 0.00 0.00 0.00 0.00 23.12 23.12 1mg3 s ALA 159 CO 0.30 -0.40 1.79 -0.35 0.00 0.00 0.00 175.76 177.09 1mg3 n PRO 160 N 0.78 1.55 -3.84 0.00 -0.04 -1.24 -4.49 135.00 127.72 1mg3 n PRO 160 Ca -0.18 0.57 -0.10 0.00 -0.04 0.00 0.00 63.50 63.75 1mg3 n PRO 160 Cb 0.58 -2.31 -0.06 0.00 -0.04 0.00 0.00 33.50 31.67 1mg3 n PRO 160 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mg3 s ALA 161 N 3.66 -0.41 -0.12 0.55 0.00 -0.58 -3.21 121.76 121.64 1mg3 s ALA 161 Ca 0.96 -0.56 -0.03 0.00 0.00 0.00 0.00 51.96 52.33 1mg3 s ALA 161 Cb -0.92 0.79 0.04 0.00 0.00 0.00 0.00 23.12 23.03 1mg3 s ALA 161 CO 0.60 -0.68 0.04 0.54 0.00 0.00 0.00 175.76 176.26 1mg3 s VAL 162 N -3.91 0.25 0.42 0.00 0.11 -1.10 -0.06 120.40 116.13 1mg3 s VAL 162 Ca 0.12 -0.09 -0.22 0.00 -2.93 0.00 0.00 61.98 58.85 1mg3 s VAL 162 Cb 0.02 -0.63 -0.10 0.00 -1.53 0.00 0.00 36.38 34.14 1mg3 s VAL 162 CO -0.04 0.00 1.00 -0.83 -3.33 0.00 0.00 175.10 171.90 1mg3 s GLY 163 N 2.00 2.56 -0.22 6.54 0.00 0.49 -2.37 107.32 116.31 1mg3 s GLY 163 Ca 0.03 0.54 -0.03 0.00 0.00 0.00 0.00 44.72 45.26 1mg3 s GLY 163 CO -0.06 0.89 -0.06 0.14 0.00 0.00 0.00 173.10 174.00 1mg3 s VAL 164 N -1.93 3.15 -0.17 1.40 1.01 -0.01 -2.28 120.40 121.57 1mg3 s VAL 164 Ca 0.61 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 1mg3 s VAL 164 Cb -0.15 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 1mg3 s VAL 164 CO 0.20 0.38 -0.07 -0.69 0.00 0.00 0.00 175.10 174.92 1mg3 s VAL 165 N 1.43 3.45 -0.86 2.92 1.01 -0.06 -0.28 120.40 128.01 1mg3 s VAL 165 Ca 0.05 -0.50 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 1mg3 s VAL 165 Cb -0.15 -2.51 0.10 0.00 0.00 0.00 0.00 36.38 33.82 1mg3 s VAL 165 CO -0.04 0.48 1.12 -0.62 0.00 0.00 0.00 175.10 176.03 1mg3 s ASP 166 N 0.73 6.48 0.16 3.32 2.15 0.13 -1.61 116.67 128.02 1mg3 s ASP 166 Ca -0.03 -1.66 -0.15 0.00 0.43 0.00 0.00 52.55 51.13 1mg3 s ASP 166 Cb -0.15 -2.43 0.04 0.00 -0.30 0.00 0.00 42.92 40.09 1mg3 s ASP 166 CO 0.02 -1.23 1.83 -0.07 -0.17 0.00 0.00 175.17 175.55 1mg3 h LEU 167 N 10.98 0.54 0.07 -1.34 3.38 -1.37 0.31 115.31 127.87 1mg3 h LEU 167 Ca 0.03 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1mg3 h LEU 167 Cb 1.04 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 1mg3 h LEU 167 CO 1.17 0.39 -0.31 -0.08 0.09 0.00 0.00 178.44 179.70 1mg3 h GLU 168 N 0.63 -0.48 -0.50 1.13 4.81 -1.86 -0.53 114.58 117.79 1mg3 h GLU 168 Ca 0.17 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1mg3 h GLU 168 Cb -0.07 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1mg3 h GLU 168 CO -0.04 -0.32 0.00 0.41 -0.73 0.00 0.00 179.01 178.33 1mg3 n GLY 169 N -1.41 0.90 4.00 1.92 0.00 -1.17 -4.93 105.19 104.50 1mg3 n GLY 169 Ca -0.06 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 1mg3 n GLY 169 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mg3 n LYS 170 N 0.21 -0.64 -3.56 1.61 5.02 -0.07 -4.95 118.16 115.78 1mg3 n LYS 170 Ca 0.09 0.28 -0.15 0.00 -2.02 0.00 0.00 58.31 56.51 1mg3 n LYS 170 Cb 0.35 -2.40 -0.06 0.00 -0.02 0.00 0.00 35.03 32.90 1mg3 n LYS 170 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mg3 s ALA 171 N -3.35 -1.82 0.19 7.82 0.00 -0.26 -4.89 121.76 119.43 1mg3 s ALA 171 Ca 0.34 1.54 -0.30 0.00 0.00 0.00 0.00 51.96 53.53 1mg3 s ALA 171 Cb -0.19 -0.46 -0.08 0.00 0.00 0.00 0.00 23.12 22.40 1mg3 s ALA 171 CO 0.95 -0.34 1.11 0.12 0.00 0.00 0.00 175.76 177.60 1mg3 s PHE 172 N -0.82 3.58 -0.02 0.00 5.36 -1.26 0.17 117.98 124.99 1mg3 s PHE 172 Ca -0.06 1.59 -0.02 0.00 -0.96 0.00 0.00 56.93 57.49 1mg3 s PHE 172 Cb -0.01 -3.29 -0.01 0.00 -0.34 0.00 0.00 43.02 39.37 1mg3 s PHE 172 CO 0.05 -0.65 -0.03 1.63 -1.46 0.00 0.00 175.22 174.77 1mg3 n LYS 173 N 2.29 0.06 -3.79 10.12 4.76 0.61 -4.85 118.16 127.36 1mg3 n LYS 173 Ca 0.03 0.13 -0.04 0.00 -2.87 0.00 0.00 58.31 55.56 1mg3 n LYS 173 Cb 0.46 -0.71 -0.00 0.00 -1.84 0.00 0.00 35.03 32.94 1mg3 n LYS 173 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1mg3 s ARG 174 N -1.19 1.27 -0.33 1.97 1.70 -1.20 -5.01 118.95 116.17 1mg3 s ARG 174 Ca -0.03 -0.74 -0.07 0.00 -0.47 0.00 0.00 55.73 54.43 1mg3 s ARG 174 Cb 0.00 0.41 0.03 0.00 -0.57 0.00 0.00 34.95 34.82 1mg3 s ARG 174 CO 0.04 -0.59 0.10 -1.64 -1.08 0.00 0.00 175.30 172.13 1mg3 s MET 175 N -2.96 2.76 0.21 3.89 -1.94 -1.26 -0.83 119.30 119.17 1mg3 s MET 175 Ca 0.15 -1.08 -0.28 0.00 -1.71 0.00 0.00 55.69 52.77 1mg3 s MET 175 Cb -0.02 -3.43 -0.09 0.00 2.01 0.00 0.00 34.83 33.31 1mg3 s MET 175 CO 0.03 -0.60 0.87 -0.51 -0.01 0.00 0.00 175.02 174.80 1mg3 s LEU 176 N 1.43 4.61 -0.19 -0.03 1.02 -1.00 -4.93 118.68 119.59 1mg3 s LEU 176 Ca -0.00 1.80 -0.21 0.00 0.02 0.00 0.00 54.13 55.74 1mg3 s LEU 176 Cb -0.19 -3.49 -0.02 0.00 0.02 0.00 0.00 46.19 42.51 1mg3 s LEU 176 CO 0.03 0.17 0.64 -1.81 0.02 0.00 0.00 176.35 175.40 1mg3 s ASP 177 N -1.19 6.71 0.17 2.29 1.01 -1.26 -2.71 116.67 121.69 1mg3 s ASP 177 Ca 0.39 0.87 0.08 0.00 0.71 0.00 0.00 52.55 54.60 1mg3 s ASP 177 Cb -0.24 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1mg3 s ASP 177 CO 0.29 -0.27 -0.16 -0.69 0.21 0.00 0.00 175.17 174.55 1mg3 s VAL 178 N 1.87 1.66 0.77 -1.27 1.01 -1.20 -4.81 120.40 118.43 1mg3 s VAL 178 Ca 0.30 -2.00 -0.13 0.00 0.00 0.00 0.00 61.98 60.15 1mg3 s VAL 178 Cb -0.16 -1.86 0.19 0.00 0.00 0.00 0.00 36.38 34.55 1mg3 s VAL 178 CO 0.11 -0.46 0.73 -2.65 0.00 0.00 0.00 175.10 172.82 1mg3 n PRO 179 N 0.06 -2.16 -1.96 2.72 -0.02 -1.26 -4.63 135.00 127.74 1mg3 n PRO 179 Ca -0.11 -1.16 -0.25 0.00 -2.02 0.00 0.00 63.50 59.96 1mg3 n PRO 179 Cb 0.58 -1.03 -0.07 0.00 -0.02 0.00 0.00 33.50 32.97 1mg3 n PRO 179 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1mg3 s ASP 180 N -3.52 4.72 0.07 2.55 1.01 -1.26 -4.82 116.67 115.43 1mg3 s ASP 180 Ca 0.46 -1.32 0.02 0.00 0.71 0.00 0.00 52.55 52.42 1mg3 s ASP 180 Cb -0.04 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 1mg3 s ASP 180 CO 0.35 -3.36 -0.08 0.00 0.21 0.00 0.00 175.17 172.29 1mg3 s TYR 182 N -2.46 0.78 0.01 0.00 1.51 0.48 -4.88 117.35 112.78 1mg3 s TYR 182 Ca 0.02 -0.57 0.00 0.00 -1.01 0.00 0.00 57.07 55.51 1mg3 s TYR 182 Cb -0.03 -0.46 0.00 0.00 -0.11 0.00 0.00 41.96 41.37 1mg3 s TYR 182 CO -0.02 -0.07 0.00 0.72 -1.11 0.00 0.00 175.55 175.07 1mg3 n HIS 183 N 1.17 -0.08 -3.91 2.71 8.25 -1.26 -0.84 115.22 121.27 1mg3 n HIS 183 Ca -0.21 0.04 -0.25 0.00 -0.26 0.00 0.00 57.72 57.04 1mg3 n HIS 183 Cb 0.56 -0.40 -0.17 0.00 1.12 0.00 0.00 29.99 31.10 1mg3 n HIS 183 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1mg3 s ILE 184 N -3.70 0.80 -0.55 1.59 1.01 -0.14 -4.30 121.20 115.91 1mg3 s ILE 184 Ca 0.00 -0.16 0.04 0.00 0.00 0.00 0.00 60.65 60.53 1mg3 s ILE 184 Cb 0.00 -0.86 0.15 0.00 0.01 0.00 0.00 42.46 41.76 1mg3 s ILE 184 CO 0.00 0.33 0.33 -0.36 0.00 0.00 0.00 174.94 175.24 1mg3 s PHE 185 N 1.70 2.82 0.39 3.97 0.08 -0.56 -4.72 117.98 121.67 1mg3 s PHE 185 Ca 0.03 -2.97 -0.27 0.00 0.12 0.00 0.00 56.93 53.84 1mg3 s PHE 185 Cb -0.13 -2.39 -0.11 0.00 -0.57 0.00 0.00 43.02 39.82 1mg3 s PHE 185 CO -0.06 -0.70 1.45 -2.30 -0.10 0.00 0.00 175.22 173.51 1mg3 n PRO 186 N 2.85 2.52 0.00 0.24 -0.02 -1.26 -2.03 135.00 137.30 1mg3 n PRO 186 Ca 0.12 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1mg3 n PRO 186 Cb 0.35 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 1mg3 n PRO 186 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1mg3 n THR 187 N 0.27 0.00 -3.90 3.45 -2.24 0.14 -4.80 114.28 107.20 1mg3 n THR 187 Ca 0.02 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.71 1mg3 n THR 187 Cb 0.39 -0.13 -0.07 0.00 -2.10 0.00 0.00 70.33 68.43 1mg3 n THR 187 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mg3 s ALA 188 N -1.76 -0.18 0.59 6.98 0.00 -0.94 -4.83 121.76 121.62 1mg3 s ALA 188 Ca 0.00 -0.73 0.31 0.00 0.00 0.00 0.00 51.96 51.54 1mg3 s ALA 188 Cb 0.00 0.78 1.27 0.00 0.00 0.00 0.00 23.12 25.17 1mg3 s ALA 188 CO 0.00 -0.64 1.59 -1.35 0.00 0.00 0.00 175.76 175.36 1mg3 h PRO 189 N 2.54 0.00 0.00 0.00 0.11 -1.97 -0.69 132.00 131.99 1mg3 h PRO 189 Ca -0.32 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.71 1mg3 h PRO 189 Cb 1.23 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.16 1mg3 h PRO 189 CO 0.49 0.00 -0.69 -0.40 -0.21 0.00 0.00 178.00 177.19 1mg3 n ASP 190 N -3.57 1.15 -3.74 -2.05 5.75 -1.26 -4.97 116.55 107.86 1mg3 n ASP 190 Ca 0.21 -2.62 -0.12 0.00 -0.01 0.00 0.00 54.79 52.25 1mg3 n ASP 190 Cb 1.27 -0.36 -0.11 0.00 -1.03 0.00 0.00 41.12 40.89 1mg3 n ASP 190 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1mg3 s THR 191 N -1.16 -0.01 0.01 2.12 2.01 -0.26 -1.05 115.64 117.29 1mg3 s THR 191 Ca 0.29 0.03 -0.18 0.00 0.31 0.00 0.00 61.69 62.14 1mg3 s THR 191 Cb 0.30 -0.49 0.03 0.00 0.01 0.00 0.00 72.50 72.35 1mg3 s THR 191 CO -0.09 0.01 0.38 0.72 -0.69 0.00 0.00 174.62 174.95 1mg3 s PHE 192 N 0.48 -0.25 0.21 4.92 -0.12 -1.17 0.25 117.98 122.30 1mg3 s PHE 192 Ca -0.02 0.32 0.07 0.00 -0.05 0.00 0.00 56.93 57.24 1mg3 s PHE 192 Cb -0.04 0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.48 1mg3 s PHE 192 CO -0.03 -0.48 0.10 -0.06 -0.05 0.00 0.00 175.22 174.71 1mg3 s PHE 193 N -1.79 3.00 0.10 3.49 0.40 -0.86 -0.80 117.98 121.53 1mg3 s PHE 193 Ca -0.10 -0.10 0.03 0.00 -0.60 0.00 0.00 56.93 56.16 1mg3 s PHE 193 Cb -0.03 -1.40 -0.04 0.00 0.51 0.00 0.00 43.02 42.06 1mg3 s PHE 193 CO 0.02 0.53 -0.09 -1.64 0.70 0.00 0.00 175.22 174.75 1mg3 s MET 194 N -3.39 0.86 -0.14 0.44 -1.94 0.57 -1.49 119.30 114.20 1mg3 s MET 194 Ca 0.31 -1.25 -0.12 0.00 -1.71 0.00 0.00 55.69 52.92 1mg3 s MET 194 Cb -0.09 -0.41 -0.05 0.00 2.01 0.00 0.00 34.83 36.30 1mg3 s MET 194 CO 0.22 0.04 0.24 -1.58 -0.01 0.00 0.00 175.02 173.94 1mg3 s HIS 195 N -2.96 3.50 0.18 -0.03 2.46 -0.02 0.30 115.29 118.72 1mg3 s HIS 195 Ca 0.09 0.57 0.07 0.00 0.47 0.00 0.00 55.06 56.25 1mg3 s HIS 195 Cb 0.01 -2.22 -0.04 0.00 -0.13 0.00 0.00 32.58 30.19 1mg3 s HIS 195 CO -0.02 0.38 0.05 0.00 -2.47 0.00 0.00 174.74 172.68 1mg3 h ARG 197 N 2.54 0.00 -0.10 0.00 2.43 -1.69 -1.37 114.38 116.19 1mg3 h ARG 197 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1mg3 h ARG 197 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1mg3 h ARG 197 CO 0.60 0.00 0.00 -0.40 -1.51 0.00 0.00 179.97 178.66 1mg3 n ASP 198 N -4.16 0.27 0.00 -3.80 5.68 -1.26 -4.86 116.55 108.42 1mg3 n ASP 198 Ca 0.06 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.35 1mg3 n ASP 198 Cb 0.48 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1mg3 n ASP 198 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mg3 n GLY 199 N 0.52 0.55 3.76 6.12 0.00 -0.52 -4.84 105.19 110.78 1mg3 n GLY 199 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 1mg3 n GLY 199 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mg3 s SER 200 N -2.09 4.95 0.07 1.61 1.04 -1.25 -0.42 113.70 117.61 1mg3 s SER 200 Ca 0.00 -0.58 -0.01 0.00 0.48 0.00 0.00 55.95 55.84 1mg3 s SER 200 Cb 0.00 -0.94 -0.04 0.00 0.10 0.00 0.00 66.02 65.14 1mg3 s SER 200 CO 0.00 -0.19 0.23 -0.22 0.98 0.00 0.00 173.24 174.04 1mg3 s LEU 201 N -3.84 4.35 -0.08 2.42 2.96 -1.26 -0.64 118.68 122.59 1mg3 s LEU 201 Ca 0.36 0.32 0.03 0.00 -0.22 0.00 0.00 54.13 54.62 1mg3 s LEU 201 Cb -0.05 -3.00 0.00 0.00 0.50 0.00 0.00 46.19 43.64 1mg3 s LEU 201 CO 0.23 0.16 -0.18 0.00 -1.32 0.00 0.00 176.35 175.24 1mg3 s ALA 202 N -1.53 1.71 -0.22 5.97 0.00 0.15 -1.20 121.76 126.64 1mg3 s ALA 202 Ca 0.36 -0.71 -0.14 0.00 0.00 0.00 0.00 51.96 51.47 1mg3 s ALA 202 Cb -0.13 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 1mg3 s ALA 202 CO 0.27 0.22 0.32 0.21 0.00 0.00 0.00 175.76 176.78 1mg3 s LYS 203 N 0.40 4.13 -0.47 0.00 2.20 -0.08 -0.31 119.74 125.60 1mg3 s LYS 203 Ca -0.14 0.03 0.03 0.00 -0.36 0.00 0.00 55.97 55.54 1mg3 s LYS 203 Cb -0.16 -3.54 0.13 0.00 -1.51 0.00 0.00 37.83 32.74 1mg3 s LYS 203 CO 0.06 -0.02 0.22 0.08 -0.36 0.00 0.00 175.35 175.33 1mg3 s VAL 204 N 1.27 2.23 0.04 4.02 1.01 0.02 -2.22 120.40 126.77 1mg3 s VAL 204 Ca 0.15 -2.97 -0.23 0.00 0.00 0.00 0.00 61.98 58.92 1mg3 s VAL 204 Cb -0.14 -2.56 -0.06 0.00 0.00 0.00 0.00 36.38 33.62 1mg3 s VAL 204 CO 0.07 -0.79 0.71 0.00 0.00 0.00 0.00 175.10 175.08 1mg3 s ALA 205 N 0.05 3.42 0.05 5.51 0.00 -0.64 -3.06 121.76 127.09 1mg3 s ALA 205 Ca 0.16 0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.33 1mg3 s ALA 205 Cb -0.25 -2.91 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 1mg3 s ALA 205 CO -0.02 0.12 -0.05 -0.59 0.00 0.00 0.00 175.76 175.22 1mg3 s PHE 206 N -0.20 0.60 0.00 0.00 -0.71 -0.22 -0.40 117.98 117.05 1mg3 s PHE 206 Ca 0.36 -0.71 0.00 0.00 -1.04 0.00 0.00 56.93 55.53 1mg3 s PHE 206 Cb -0.20 -0.38 0.00 0.00 -1.21 0.00 0.00 43.02 41.23 1mg3 s PHE 206 CO 0.21 -0.18 0.00 0.41 -1.34 0.00 0.00 175.22 174.32 1mg3 n GLY 207 N 0.88 6.80 0.28 1.99 0.00 -1.26 -4.70 105.19 109.18 1mg3 n GLY 207 Ca -0.19 -2.08 0.17 0.00 0.00 0.00 0.00 46.02 43.92 1mg3 n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mg3 h THR 208 N 0.28 0.02 -2.92 2.61 1.03 -2.02 -3.46 112.91 108.45 1mg3 h THR 208 Ca 0.00 -0.52 0.07 0.00 -0.01 0.00 0.00 66.41 65.95 1mg3 h THR 208 Cb 0.00 1.51 -0.04 0.00 -1.07 0.00 0.00 68.15 68.55 1mg3 h THR 208 CO 0.00 0.01 0.27 -1.83 -0.01 0.00 0.00 175.52 173.96 1mg3 s GLU 209 N -3.68 1.79 0.00 0.00 -1.05 -1.26 -5.05 118.70 109.45 1mg3 s GLU 209 Ca 0.01 -1.02 0.00 0.00 -0.15 0.00 0.00 54.97 53.81 1mg3 s GLU 209 Cb 0.09 0.59 0.00 0.00 -0.44 0.00 0.00 34.13 34.37 1mg3 s GLU 209 CO 0.54 -0.82 0.00 0.41 0.95 0.00 0.00 175.26 176.34 1mg3 n GLY 210 N -0.48 -2.46 3.68 -3.83 0.00 -1.26 -4.89 105.19 95.95 1mg3 n GLY 210 Ca -0.05 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 1mg3 n GLY 210 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1mg3 n THR 211 N -1.38 1.79 -0.98 2.61 -1.04 -1.26 -4.72 114.28 109.30 1mg3 n THR 211 Ca 0.00 -0.45 -0.30 0.00 -2.04 0.00 0.00 64.05 61.26 1mg3 n THR 211 Cb 0.00 -1.46 0.16 0.00 -1.82 0.00 0.00 70.33 67.20 1mg3 n THR 211 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1mg3 s PRO 212 N -1.54 1.00 -0.24 -2.82 0.04 -1.26 -4.92 135.00 125.26 1mg3 s PRO 212 Ca 0.58 1.07 -0.13 0.00 0.04 0.00 0.00 61.00 62.56 1mg3 s PRO 212 Cb -0.61 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 1mg3 s PRO 212 CO 0.59 -2.49 0.28 -2.00 0.04 0.00 0.00 177.00 173.43 1mg3 s GLU 213 N -4.78 4.07 0.10 4.56 2.12 0.47 -4.98 118.70 120.26 1mg3 s GLU 213 Ca 0.65 -0.07 0.09 0.00 0.36 0.00 0.00 54.97 56.00 1mg3 s GLU 213 Cb -0.20 -3.59 -0.04 0.00 0.26 0.00 0.00 34.13 30.57 1mg3 s GLU 213 CO 0.58 -0.09 -0.24 0.42 -0.54 0.00 0.00 175.26 175.39 1mg3 s ILE 214 N 1.48 2.00 -0.12 -3.70 1.01 -1.26 -1.62 121.20 118.99 1mg3 s ILE 214 Ca 0.12 -1.58 -0.17 0.00 0.00 0.00 0.00 60.65 59.02 1mg3 s ILE 214 Cb -0.15 -1.77 0.04 0.00 0.01 0.00 0.00 42.46 40.59 1mg3 s ILE 214 CO 0.08 0.09 0.44 0.42 0.00 0.00 0.00 174.94 175.97 1mg3 s THR 215 N -1.03 0.01 0.30 2.92 -4.23 -0.94 -5.00 115.64 107.67 1mg3 s THR 215 Ca 0.11 -0.12 0.07 0.00 -1.18 0.00 0.00 61.69 60.56 1mg3 s THR 215 Cb -0.10 -0.67 -0.02 0.00 1.34 0.00 0.00 72.50 73.05 1mg3 s THR 215 CO 0.04 -0.06 0.34 -1.00 -0.54 0.00 0.00 174.62 173.40 1mg3 s HIS 216 N -0.29 3.13 0.51 3.99 3.76 -1.26 -0.91 115.29 124.22 1mg3 s HIS 216 Ca -0.04 -0.18 0.06 0.00 -0.15 0.00 0.00 55.06 54.75 1mg3 s HIS 216 Cb -0.03 -1.72 0.06 0.00 1.11 0.00 0.00 32.58 31.99 1mg3 s HIS 216 CO 0.02 0.25 0.50 0.25 -0.85 0.00 0.00 174.74 174.92 1mg3 n THR 217 N -1.42 0.00 -1.41 1.30 -2.24 -0.34 -4.94 114.28 105.22 1mg3 n THR 217 Ca -0.04 -1.89 -0.32 0.00 -2.27 0.00 0.00 64.05 59.53 1mg3 n THR 217 Cb 0.58 -0.25 0.08 0.00 -2.10 0.00 0.00 70.33 68.65 1mg3 n THR 217 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1mg3 s GLU 218 N -4.16 2.27 0.05 -0.78 -1.05 -1.26 -4.56 118.70 109.21 1mg3 s GLU 218 Ca 0.38 1.43 -0.31 0.00 -0.15 0.00 0.00 54.97 56.33 1mg3 s GLU 218 Cb -0.03 -1.88 -0.06 0.00 -0.44 0.00 0.00 34.13 31.72 1mg3 s GLU 218 CO 0.24 -1.67 1.34 0.08 0.95 0.00 0.00 175.26 176.20 1mg3 s VAL 219 N -2.46 3.67 -1.96 1.83 1.01 -1.26 -4.32 120.40 116.91 1mg3 s VAL 219 Ca 0.67 1.15 0.16 0.00 0.00 0.00 0.00 61.98 63.96 1mg3 s VAL 219 Cb -0.22 -3.74 0.11 0.00 0.00 0.00 0.00 36.38 32.53 1mg3 s VAL 219 CO 0.48 0.05 0.99 2.22 0.00 0.00 0.00 175.10 178.85 1mg3 n PHE 220 N 4.49 0.00 -3.75 5.22 -1.74 0.44 -4.95 117.46 117.18 1mg3 n PHE 220 Ca 0.11 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.87 1mg3 n PHE 220 Cb 0.44 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.33 1mg3 n PHE 220 CO 0.00 0.00 0.00 -3.38 -0.56 0.00 0.00 176.76 172.82 1mg3 s HIS 221 N -1.46 -0.41 0.91 2.97 -3.43 -1.25 -5.12 115.29 107.51 1mg3 s HIS 221 Ca 0.18 0.99 -0.11 0.00 -0.80 0.00 0.00 55.06 55.32 1mg3 s HIS 221 Cb 0.14 0.14 0.14 0.00 -1.43 0.00 0.00 32.58 31.57 1mg3 s HIS 221 CO 0.24 -0.20 1.11 -1.25 -2.00 0.00 0.00 174.74 172.64 1mg3 s PRO 222 N 0.25 1.05 0.56 -0.38 0.04 -1.26 -4.72 135.00 130.54 1mg3 s PRO 222 Ca -0.00 1.27 0.37 0.00 0.04 0.00 0.00 61.00 62.67 1mg3 s PRO 222 Cb -0.03 -1.75 1.82 0.00 0.04 0.00 0.00 34.50 34.58 1mg3 s PRO 222 CO -0.00 -2.51 2.12 1.49 0.04 0.00 0.00 177.00 178.13 1mg3 h GLU 223 N -1.77 0.00 -0.62 4.56 4.81 -1.97 -2.50 114.58 117.09 1mg3 h GLU 223 Ca -0.47 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.65 1mg3 h GLU 223 Cb 1.27 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.58 1mg3 h GLU 223 CO 0.47 0.00 0.13 -0.40 -0.73 0.00 0.00 179.01 178.48 1mg3 n ASP 224 N -2.95 5.03 -4.29 1.04 3.85 -1.26 -4.83 116.55 113.14 1mg3 n ASP 224 Ca -0.01 -3.12 -0.33 0.00 -0.71 0.00 0.00 54.79 50.62 1mg3 n ASP 224 Cb 0.17 -0.70 -0.15 0.00 -1.35 0.00 0.00 41.12 39.09 1mg3 n ASP 224 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 1mg3 s GLU 225 N -2.91 3.28 -0.29 0.11 2.12 -0.94 -5.10 118.70 114.97 1mg3 s GLU 225 Ca 0.54 -0.72 -0.07 0.00 0.36 0.00 0.00 54.97 55.08 1mg3 s GLU 225 Cb 0.42 -2.68 0.00 0.00 0.26 0.00 0.00 34.13 32.13 1mg3 s GLU 225 CO 0.14 0.03 0.08 -0.06 -0.54 0.00 0.00 175.26 174.90 1mg3 s PHE 226 N 0.81 3.13 -0.35 5.30 0.08 -1.26 -4.85 117.98 120.84 1mg3 s PHE 226 Ca -0.05 -0.89 -0.22 0.00 0.12 0.00 0.00 56.93 55.89 1mg3 s PHE 226 Cb -0.15 -2.25 0.00 0.00 -0.57 0.00 0.00 43.02 40.05 1mg3 s PHE 226 CO 0.00 -0.54 0.74 -0.51 -0.10 0.00 0.00 175.22 174.81 1mg3 s LEU 227 N 1.52 4.15 0.81 -0.37 1.02 -1.26 -1.96 118.68 122.58 1mg3 s LEU 227 Ca 0.03 0.38 -0.15 0.00 0.02 0.00 0.00 54.13 54.41 1mg3 s LEU 227 Cb -0.17 -2.97 -0.04 0.00 0.02 0.00 0.00 46.19 43.03 1mg3 s LEU 227 CO 0.03 -0.66 0.28 2.30 0.02 0.00 0.00 176.35 178.31 1mg3 n ILE 228 N 5.67 0.90 0.66 -0.59 -5.35 -1.01 -4.87 119.36 114.77 1mg3 n ILE 228 Ca 0.02 -0.36 0.10 0.00 -0.27 0.00 0.00 62.75 62.25 1mg3 n ILE 228 Cb 0.48 -0.56 0.44 0.00 -1.74 0.00 0.00 39.64 38.26 1mg3 n ILE 228 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1mg3 n ASN 229 N 0.08 0.14 -3.42 7.28 3.02 -1.26 -4.17 115.26 116.93 1mg3 n ASN 229 Ca 0.07 0.52 -0.31 0.00 -0.03 0.00 0.00 54.58 54.84 1mg3 n ASN 229 Cb 0.52 -0.56 -0.05 0.00 -0.61 0.00 0.00 39.78 39.08 1mg3 n ASN 229 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1mg3 n HIS 230 N -1.64 3.45 -1.82 3.10 8.25 -1.26 -4.85 115.22 120.45 1mg3 n HIS 230 Ca 0.05 -3.73 -0.32 0.00 -0.26 0.00 0.00 57.72 53.45 1mg3 n HIS 230 Cb 0.25 -0.71 0.03 0.00 1.12 0.00 0.00 29.99 30.68 1mg3 n HIS 230 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1mg3 s PRO 231 N -2.92 3.12 -0.16 -0.41 0.04 -1.26 -4.31 135.00 129.10 1mg3 s PRO 231 Ca 0.41 1.11 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 1mg3 s PRO 231 Cb 0.17 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 1mg3 s PRO 231 CO -0.03 -0.96 0.23 0.00 0.04 0.00 0.00 177.00 176.28 1mg3 s ALA 232 N -2.70 3.66 -0.12 8.56 0.00 -0.17 -4.93 121.76 126.06 1mg3 s ALA 232 Ca 0.61 -0.53 -0.03 0.00 0.00 0.00 0.00 51.96 52.02 1mg3 s ALA 232 Cb -0.15 -2.28 0.04 0.00 0.00 0.00 0.00 23.12 20.73 1mg3 s ALA 232 CO 0.45 0.19 0.04 -0.47 0.00 0.00 0.00 175.76 175.97 1mg3 s TYR 233 N 0.20 0.52 -0.67 0.00 5.04 -1.26 0.50 117.35 121.68 1mg3 s TYR 233 Ca 0.14 -0.29 -0.18 0.00 -2.44 0.00 0.00 57.07 54.31 1mg3 s TYR 233 Cb -0.12 -0.77 0.13 0.00 0.35 0.00 0.00 41.96 41.55 1mg3 s TYR 233 CO 0.03 -0.41 0.75 0.45 -1.34 0.00 0.00 175.55 175.02 1mg3 s SER 234 N 2.02 6.34 0.59 4.32 0.15 0.46 -4.91 113.70 122.67 1mg3 s SER 234 Ca 0.03 -1.75 0.28 0.00 0.70 0.00 0.00 55.95 55.21 1mg3 s SER 234 Cb -0.14 -2.29 1.57 0.00 -1.71 0.00 0.00 66.02 63.44 1mg3 s SER 234 CO -0.06 -1.00 2.01 -0.61 1.20 0.00 0.00 173.24 174.78 1mg3 h GLN 235 N 8.89 0.00 -0.03 5.44 4.15 -1.91 0.91 115.11 132.56 1mg3 h GLN 235 Ca -0.17 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.15 1mg3 h GLN 235 Cb 1.07 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.77 1mg3 h GLN 235 CO 1.04 0.00 -0.37 0.87 -1.93 0.00 0.00 178.83 178.44 1mg3 h LYS 236 N 0.00 0.30 -0.18 1.69 1.57 -1.95 -3.25 116.57 114.74 1mg3 h LYS 236 Ca 0.14 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1mg3 h LYS 236 Cb 0.79 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1mg3 h LYS 236 CO -0.00 0.96 0.00 0.00 -0.57 0.00 0.00 179.45 179.84 1mg3 n ALA 237 N -2.54 2.51 -1.74 3.86 0.00 -0.86 -4.91 120.51 116.84 1mg3 n ALA 237 Ca -0.09 -0.58 -0.18 0.00 0.00 0.00 0.00 53.44 52.59 1mg3 n ALA 237 Cb 0.54 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.87 1mg3 n ALA 237 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mg3 n GLY 238 N 1.18 1.18 3.75 0.00 0.00 0.26 -4.51 105.19 107.05 1mg3 n GLY 238 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1mg3 n GLY 238 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1mg3 s ARG 239 N -3.90 4.20 -0.26 1.61 6.06 -1.03 -0.39 118.95 125.23 1mg3 s ARG 239 Ca 0.00 0.20 0.03 0.00 -2.50 0.00 0.00 55.73 53.46 1mg3 s ARG 239 Cb 0.00 -3.39 0.06 0.00 0.06 0.00 0.00 34.95 31.68 1mg3 s ARG 239 CO 0.00 0.30 -0.08 -1.17 -2.50 0.00 0.00 175.30 171.85 1mg3 s LEU 240 N 0.25 3.43 -0.37 -0.88 0.20 -1.12 -0.40 118.68 119.79 1mg3 s LEU 240 Ca 0.19 -1.44 -0.12 0.00 0.69 0.00 0.00 54.13 53.45 1mg3 s LEU 240 Cb -0.14 -1.49 0.01 0.00 -0.43 0.00 0.00 46.19 44.14 1mg3 s LEU 240 CO 0.06 -0.22 0.23 -0.69 -0.29 0.00 0.00 176.35 175.45 1mg3 s VAL 241 N 1.13 4.94 -0.29 1.68 1.01 0.18 -1.38 120.40 127.67 1mg3 s VAL 241 Ca -0.06 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1mg3 s VAL 241 Cb -0.20 -3.66 0.07 0.00 0.00 0.00 0.00 36.38 32.59 1mg3 s VAL 241 CO -0.06 -0.15 -0.04 0.86 0.00 0.00 0.00 175.10 175.71 1mg3 s TRP 242 N 1.64 3.38 0.77 5.22 -0.11 -0.22 -1.00 118.94 128.63 1mg3 s TRP 242 Ca 0.04 -2.35 -0.10 0.00 1.22 0.00 0.00 56.10 54.91 1mg3 s TRP 242 Cb -0.18 -2.22 0.08 0.00 -1.50 0.00 0.00 33.47 29.64 1mg3 s TRP 242 CO 0.08 -0.88 1.12 -2.14 -4.62 0.00 0.00 176.95 170.51 1mg3 s PRO 243 N 1.10 2.01 0.44 5.86 0.02 -1.26 -0.82 135.00 142.35 1mg3 s PRO 243 Ca -0.04 -0.05 0.04 0.00 0.02 0.00 0.00 61.00 60.97 1mg3 s PRO 243 Cb -0.20 -2.03 -0.04 0.00 0.02 0.00 0.00 34.50 32.24 1mg3 s PRO 243 CO -0.05 -1.48 0.03 0.95 -0.33 0.00 0.00 177.00 176.12 1mg3 s THR 244 N -3.46 1.36 0.56 0.99 -4.23 -0.73 -2.40 115.64 107.74 1mg3 s THR 244 Ca 0.62 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.38 1mg3 s THR 244 Cb -0.11 -2.56 0.34 0.00 1.34 0.00 0.00 72.50 71.52 1mg3 s THR 244 CO 0.47 0.00 2.11 1.88 -0.54 0.00 0.00 174.62 178.55 1mg3 h TYR 245 N 1.66 0.00 -0.00 3.99 -1.99 -1.73 -1.75 116.97 117.14 1mg3 h TYR 245 Ca -0.42 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.31 1mg3 h TYR 245 Cb 1.27 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.00 1mg3 h TYR 245 CO 1.12 0.00 -0.52 0.25 -0.00 0.00 0.00 178.16 179.01 1mg3 n THR 246 N -4.11 0.00 0.00 -2.88 -2.24 -1.26 -3.87 114.28 99.91 1mg3 n THR 246 Ca 0.01 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1mg3 n THR 246 Cb 0.29 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1mg3 n THR 246 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mg3 n GLY 247 N 1.45 1.58 3.72 3.38 0.00 -0.66 -4.66 105.19 110.00 1mg3 n GLY 247 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1mg3 n GLY 247 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1mg3 n LYS 248 N -1.61 2.44 -4.90 1.61 4.81 -1.26 -2.33 118.16 116.91 1mg3 n LYS 248 Ca 0.00 0.87 -0.33 0.00 -0.87 0.00 0.00 58.31 57.98 1mg3 n LYS 248 Cb 0.00 -2.58 -0.13 0.00 0.02 0.00 0.00 35.03 32.33 1mg3 n LYS 248 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1mg3 s ILE 249 N -0.24 3.00 -0.34 3.15 1.01 0.73 -1.77 121.20 126.75 1mg3 s ILE 249 Ca 0.63 -0.74 -0.02 0.00 0.00 0.00 0.00 60.65 60.52 1mg3 s ILE 249 Cb -0.55 -2.18 0.07 0.00 0.01 0.00 0.00 42.46 39.81 1mg3 s ILE 249 CO 0.52 0.58 0.07 -1.00 0.00 0.00 0.00 174.94 175.11 1mg3 s HIS 250 N -0.58 3.38 -0.14 3.97 3.76 0.00 -1.76 115.29 123.91 1mg3 s HIS 250 Ca 0.08 -2.04 -0.08 0.00 -0.15 0.00 0.00 55.06 52.87 1mg3 s HIS 250 Cb -0.11 -2.48 -0.04 0.00 1.11 0.00 0.00 32.58 31.05 1mg3 s HIS 250 CO 0.01 -0.85 0.14 -0.65 -0.85 0.00 0.00 174.74 172.54 1mg3 s GLN 251 N 1.22 3.69 -0.20 1.40 -0.21 -1.26 -1.05 119.66 123.25 1mg3 s GLN 251 Ca -0.00 -0.15 -0.00 0.00 0.02 0.00 0.00 55.36 55.23 1mg3 s GLN 251 Cb -0.21 -3.27 0.05 0.00 1.00 0.00 0.00 33.01 30.59 1mg3 s GLN 251 CO -0.02 0.62 -0.04 0.42 -2.12 0.00 0.00 175.29 174.15 1mg3 s ILE 252 N -0.58 1.26 -0.15 1.08 1.09 -0.48 -2.28 121.20 121.14 1mg3 s ILE 252 Ca 0.13 -0.92 -0.29 0.00 -1.10 0.00 0.00 60.65 58.46 1mg3 s ILE 252 Cb -0.12 -1.52 -0.01 0.00 -1.06 0.00 0.00 42.46 39.75 1mg3 s ILE 252 CO 0.02 -0.02 1.17 -0.62 -0.10 0.00 0.00 174.94 175.39 1mg3 s ASP 253 N 1.54 7.03 0.00 3.58 2.15 -0.70 -2.79 116.67 127.47 1mg3 s ASP 253 Ca -0.03 1.63 0.06 0.00 0.43 0.00 0.00 52.55 54.64 1mg3 s ASP 253 Cb -0.17 -2.54 0.08 0.00 -0.30 0.00 0.00 42.92 39.98 1mg3 s ASP 253 CO -0.07 -0.67 0.80 0.18 -0.17 0.00 0.00 175.17 175.24 1mg3 n LEU 254 N 6.09 1.75 0.06 -1.34 7.99 0.47 -2.00 117.00 130.03 1mg3 n LEU 254 Ca 0.12 -1.26 0.21 0.00 -0.01 0.00 0.00 56.01 55.07 1mg3 n LEU 254 Cb 0.46 -0.03 0.74 0.00 -0.11 0.00 0.00 43.42 44.48 1mg3 n LEU 254 CO 0.54 0.39 1.18 0.77 -1.51 0.00 0.00 177.39 178.77 1mg3 h SER 255 N 1.13 0.00 -0.21 -1.43 4.64 -1.79 0.21 113.55 116.10 1mg3 h SER 255 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1mg3 h SER 255 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1mg3 h SER 255 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 1mg3 n SER 256 N -3.93 1.49 0.00 4.97 3.41 -1.26 -4.88 113.62 113.43 1mg3 n SER 256 Ca 0.08 -1.80 0.00 0.00 -0.26 0.00 0.00 58.87 56.89 1mg3 n SER 256 Cb 0.60 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1mg3 n SER 256 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mg3 n GLY 257 N 1.04 1.43 2.93 5.00 0.00 0.73 -4.99 105.19 111.33 1mg3 n GLY 257 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 1mg3 n GLY 257 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mg3 s ASP 258 N -3.22 0.20 0.65 1.61 1.01 -1.25 -5.09 116.67 110.58 1mg3 s ASP 258 Ca 0.00 -0.21 -0.17 0.00 0.71 0.00 0.00 52.55 52.88 1mg3 s ASP 258 Cb 0.00 0.03 -0.03 0.00 1.01 0.00 0.00 42.92 43.93 1mg3 s ASP 258 CO 0.00 -0.11 0.89 0.00 0.21 0.00 0.00 175.17 176.17 1mg3 n ALA 259 N 2.47 -0.20 -3.16 5.23 0.00 -1.26 -4.43 120.51 119.17 1mg3 n ALA 259 Ca -0.17 -0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.21 1mg3 n ALA 259 Cb 0.58 -2.07 -0.01 0.00 0.00 0.00 0.00 19.45 17.95 1mg3 n ALA 259 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1mg3 s LYS 260 N -2.92 0.66 0.00 0.00 2.20 -0.84 -4.98 119.74 113.87 1mg3 s LYS 260 Ca 0.74 0.02 -0.30 0.00 -0.36 0.00 0.00 55.97 56.07 1mg3 s LYS 260 Cb -0.39 0.14 -0.06 0.00 -1.51 0.00 0.00 37.83 36.01 1mg3 s LYS 260 CO 0.49 -1.03 1.47 -0.06 -0.36 0.00 0.00 175.35 175.86 1mg3 s PHE 261 N 2.21 2.68 0.75 4.03 0.08 -1.26 -1.73 117.98 124.75 1mg3 s PHE 261 Ca 0.15 0.66 -0.04 0.00 0.12 0.00 0.00 56.93 57.81 1mg3 s PHE 261 Cb -0.05 -3.75 0.13 0.00 -0.57 0.00 0.00 43.02 38.78 1mg3 s PHE 261 CO -0.14 -2.85 1.05 -0.51 -0.10 0.00 0.00 175.22 172.66 1mg3 s LEU 262 N 2.63 2.93 -0.10 -0.37 1.02 -0.97 -4.98 118.68 118.85 1mg3 s LEU 262 Ca 0.67 -0.10 -0.29 0.00 0.02 0.00 0.00 54.13 54.42 1mg3 s LEU 262 Cb -0.33 -2.26 -0.06 0.00 0.02 0.00 0.00 46.19 43.56 1mg3 s LEU 262 CO 0.28 -1.95 1.83 -2.84 0.02 0.00 0.00 176.35 173.69 1mg3 s PRO 263 N -5.28 3.89 0.42 1.29 0.02 -1.26 -4.74 135.00 129.33 1mg3 s PRO 263 Ca 0.66 2.15 -0.25 0.00 0.02 0.00 0.00 61.00 63.58 1mg3 s PRO 263 Cb -0.06 -4.12 -0.10 0.00 0.02 0.00 0.00 34.50 30.24 1mg3 s PRO 263 CO 0.46 -1.21 1.24 0.00 -0.33 0.00 0.00 177.00 177.15 1mg3 n ALA 264 N 8.38 1.16 -2.58 -1.55 0.00 -1.26 -4.82 120.51 119.84 1mg3 n ALA 264 Ca 0.21 0.26 -0.20 0.00 0.00 0.00 0.00 53.44 53.70 1mg3 n ALA 264 Cb 0.43 -2.24 -0.12 0.00 0.00 0.00 0.00 19.45 17.52 1mg3 n ALA 264 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1mg3 s VAL 265 N -1.20 1.43 -0.41 0.00 1.01 -0.72 -4.95 120.40 115.55 1mg3 s VAL 265 Ca 0.61 -1.53 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 1mg3 s VAL 265 Cb -0.52 -1.40 0.06 0.00 0.00 0.00 0.00 36.38 34.53 1mg3 s VAL 265 CO 0.58 -0.22 0.26 -0.70 0.00 0.00 0.00 175.10 175.02 1mg3 s GLU 266 N -2.08 2.70 0.31 2.72 2.56 -1.26 0.26 118.70 123.91 1mg3 s GLU 266 Ca 0.05 -1.35 -0.00 0.00 0.00 0.00 0.00 54.97 53.66 1mg3 s GLU 266 Cb -0.09 -3.81 0.49 0.00 2.00 0.00 0.00 34.13 32.73 1mg3 s GLU 266 CO 0.03 -0.90 1.92 0.00 -0.56 0.00 0.00 175.26 175.76 1mg3 h ALA 267 N 8.45 1.37 -2.69 6.30 0.00 -1.81 -3.42 119.26 127.46 1mg3 h ALA 267 Ca -0.24 -0.12 -0.61 0.00 0.00 0.00 0.00 54.91 53.94 1mg3 h ALA 267 Cb 1.09 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1mg3 h ALA 267 CO 0.75 0.50 -0.31 -0.51 0.00 0.00 0.00 179.25 179.68 1mg3 s LEU 268 N -9.61 4.37 0.92 0.00 1.43 -1.26 -4.99 118.68 109.54 1mg3 s LEU 268 Ca -0.10 0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 53.57 1mg3 s LEU 268 Cb 0.17 -2.79 0.14 0.00 0.03 0.00 0.00 46.19 43.74 1mg3 s LEU 268 CO 0.79 0.23 1.13 0.42 0.23 0.00 0.00 176.35 179.15 1mg3 s THR 269 N -1.32 2.01 0.17 5.49 -4.23 -1.26 -4.78 115.64 111.71 1mg3 s THR 269 Ca 0.29 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.67 1mg3 s THR 269 Cb -0.14 -2.72 0.06 0.00 1.34 0.00 0.00 72.50 71.05 1mg3 s THR 269 CO 0.16 -0.00 1.78 -0.33 -0.54 0.00 0.00 174.62 175.70 1mg3 h GLU 270 N -1.55 0.75 0.44 3.99 4.39 -1.98 -1.13 114.58 119.50 1mg3 h GLU 270 Ca -0.51 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.09 1mg3 h GLU 270 Cb 1.33 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1mg3 h GLU 270 CO 0.61 0.58 -0.28 0.00 -1.16 0.00 0.00 179.01 178.76 1mg3 h ALA 271 N 1.14 -0.69 0.36 3.43 0.00 -1.99 -2.47 119.26 119.02 1mg3 h ALA 271 Ca 0.19 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1mg3 h ALA 271 Cb 0.03 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1mg3 h ALA 271 CO -0.03 -0.91 -0.48 0.93 0.00 0.00 0.00 179.25 178.77 1mg3 h GLU 272 N -0.69 -0.84 -0.92 0.00 5.08 -1.88 -0.57 114.58 114.76 1mg3 h GLU 272 Ca -0.05 0.06 0.23 0.00 -1.00 0.00 0.00 59.36 58.60 1mg3 h GLU 272 Cb 0.57 0.19 -0.13 0.00 0.50 0.00 0.00 28.75 29.89 1mg3 h GLU 272 CO 0.05 -0.56 0.42 0.00 -1.00 0.00 0.00 179.01 177.91 1mg3 h ARG 273 N -0.87 0.39 -0.66 2.33 3.08 -1.23 0.58 114.38 118.00 1mg3 h ARG 273 Ca -0.03 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1mg3 h ARG 273 Cb 0.80 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 1mg3 h ARG 273 CO -0.13 0.26 0.35 0.00 -1.07 0.00 0.00 179.97 179.38 1mg3 h ALA 274 N 1.73 0.84 -0.06 0.04 0.00 -0.90 -1.99 119.26 118.92 1mg3 h ALA 274 Ca 0.58 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 1mg3 h ALA 274 Cb 1.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1mg3 h ALA 274 CO -0.54 0.37 0.03 -0.25 0.00 0.00 0.00 179.25 178.86 1mg3 n ASP 275 N -4.52 2.24 -0.28 0.00 8.00 0.20 -4.83 116.55 117.35 1mg3 n ASP 275 Ca 0.05 -2.10 -0.04 0.00 0.71 0.00 0.00 54.79 53.41 1mg3 n ASP 275 Cb 0.10 -0.52 -0.02 0.00 -0.02 0.00 0.00 41.12 40.66 1mg3 n ASP 275 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mg3 n GLY 276 N 0.21 0.66 3.75 0.44 0.00 -0.75 -4.89 105.19 104.62 1mg3 n GLY 276 Ca 0.04 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 1mg3 n GLY 276 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1mg3 s TRP 277 N -2.09 3.86 -0.04 1.61 0.52 -0.71 -1.97 118.94 120.12 1mg3 s TRP 277 Ca 0.00 1.84 -0.25 0.00 0.02 0.00 0.00 56.10 57.71 1mg3 s TRP 277 Cb 0.00 -3.07 0.05 0.00 -1.15 0.00 0.00 33.47 29.31 1mg3 s TRP 277 CO 0.00 0.16 0.55 1.03 0.02 0.00 0.00 176.95 178.71 1mg3 s ARG 278 N -1.02 0.91 0.62 4.98 0.52 0.06 -4.38 118.95 120.64 1mg3 s ARG 278 Ca 0.43 0.13 -0.15 0.00 -0.52 0.00 0.00 55.73 55.62 1mg3 s ARG 278 Cb -0.27 0.43 -0.02 0.00 0.52 0.00 0.00 34.95 35.60 1mg3 s ARG 278 CO 0.34 -0.27 1.08 -1.25 0.02 0.00 0.00 175.30 175.21 1mg3 s PRO 279 N -1.18 3.10 -0.29 3.54 0.04 -1.25 -2.17 135.00 136.80 1mg3 s PRO 279 Ca -0.11 1.25 -0.23 0.00 0.04 0.00 0.00 61.00 61.95 1mg3 s PRO 279 Cb -0.02 -2.00 0.14 0.00 0.04 0.00 0.00 34.50 32.66 1mg3 s PRO 279 CO 0.08 -0.99 1.10 0.20 0.04 0.00 0.00 177.00 177.43 1mg3 s GLY 280 N -2.80 0.00 0.00 0.56 0.00 -0.99 -4.81 107.32 99.29 1mg3 s GLY 280 Ca 0.64 2.97 0.00 0.00 0.00 0.00 0.00 44.72 48.34 1mg3 s GLY 280 CO 0.40 2.05 0.00 0.61 0.00 0.00 0.00 173.10 176.16 1mg3 n GLY 281 N 2.45 0.05 0.00 0.20 0.00 -0.97 -4.00 105.19 102.91 1mg3 n GLY 281 Ca -0.14 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1mg3 n GLY 281 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1mg3 n TRP 282 N 6.63 0.00 -2.64 1.61 -0.00 0.27 -4.46 117.44 118.85 1mg3 n TRP 282 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.50 57.07 1mg3 n TRP 282 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 1mg3 n TRP 282 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 1mg3 n GLN 283 N -0.50 3.25 0.13 5.87 6.02 -1.11 -4.61 117.38 126.42 1mg3 n GLN 283 Ca 0.00 -3.44 0.00 0.00 -0.01 0.00 0.00 57.00 53.56 1mg3 n GLN 283 Cb 0.00 -3.32 0.30 0.00 1.02 0.00 0.00 30.24 28.24 1mg3 n GLN 283 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1mg3 h GLN 284 N 7.27 0.15 -6.53 -1.09 4.20 -1.80 -2.14 115.11 115.17 1mg3 h GLN 284 Ca 0.41 -0.06 -0.64 0.00 0.06 0.00 0.00 58.65 58.42 1mg3 h GLN 284 Cb 0.85 -0.01 -0.16 0.00 0.30 0.00 0.00 27.48 28.46 1mg3 h GLN 284 CO 1.42 0.48 -0.77 0.14 -0.67 0.00 0.00 178.83 179.44 1mg3 s VAL 285 N -4.26 2.84 0.01 -0.54 -7.23 -1.26 -0.79 120.40 109.17 1mg3 s VAL 285 Ca -0.04 -1.79 -0.04 0.00 -1.81 0.00 0.00 61.98 58.31 1mg3 s VAL 285 Cb 0.14 -2.38 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 1mg3 s VAL 285 CO 0.75 -0.09 0.06 0.00 -0.31 0.00 0.00 175.10 175.50 1mg3 s ALA 286 N -1.64 -0.12 -0.07 1.32 0.00 -0.05 -4.63 121.76 116.58 1mg3 s ALA 286 Ca 0.23 -0.29 -0.01 0.00 0.00 0.00 0.00 51.96 51.88 1mg3 s ALA 286 Cb -0.09 0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.16 1mg3 s ALA 286 CO 0.13 -0.17 0.01 -0.47 0.00 0.00 0.00 175.76 175.25 1mg3 s TYR 287 N -1.27 0.60 -0.30 0.00 5.04 -1.26 0.28 117.35 120.43 1mg3 s TYR 287 Ca -0.14 -0.12 -0.22 0.00 -2.44 0.00 0.00 57.07 54.16 1mg3 s TYR 287 Cb -0.08 -0.75 -0.01 0.00 0.35 0.00 0.00 41.96 41.48 1mg3 s TYR 287 CO 0.00 -0.30 0.69 -1.58 -1.34 0.00 0.00 175.55 173.02 1mg3 s HIS 288 N 1.91 3.21 0.05 4.97 5.65 -0.72 -4.94 115.29 125.41 1mg3 s HIS 288 Ca 0.04 0.68 -0.32 0.00 0.25 0.00 0.00 55.06 55.70 1mg3 s HIS 288 Cb -0.12 -3.08 -0.18 0.00 -1.18 0.00 0.00 32.58 28.02 1mg3 s HIS 288 CO -0.05 -0.51 1.46 -0.09 -0.65 0.00 0.00 174.74 174.91 1mg3 h ARG 289 N 8.15 -0.97 0.18 2.88 2.43 -1.90 0.24 114.38 125.39 1mg3 h ARG 289 Ca -0.26 0.07 0.01 0.00 -0.81 0.00 0.00 59.98 58.99 1mg3 h ARG 289 Cb 1.11 0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 30.84 1mg3 h ARG 289 CO 0.83 -0.63 -0.40 0.00 -1.51 0.00 0.00 179.97 178.27 1mg3 h ALA 290 N -0.92 -0.74 0.00 2.80 0.00 -1.94 -0.85 119.26 117.61 1mg3 h ALA 290 Ca -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1mg3 h ALA 290 Cb 0.79 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1mg3 h ALA 290 CO 0.17 -0.97 0.00 1.28 0.00 0.00 0.00 179.25 179.73 1mg3 n LEU 291 N -5.46 0.24 -3.66 0.00 4.77 -1.25 -4.91 117.00 106.73 1mg3 n LEU 291 Ca -0.08 0.55 -0.28 0.00 -0.03 0.00 0.00 56.01 56.17 1mg3 n LEU 291 Cb 0.37 -0.50 0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1mg3 n LEU 291 CO 0.22 -0.28 -0.06 -0.67 -1.33 0.00 0.00 177.39 175.27 1mg3 n ASP 292 N -1.75 -5.47 -4.38 -1.43 2.03 0.78 -4.90 116.55 101.44 1mg3 n ASP 292 Ca 0.04 -0.93 -0.19 0.00 0.52 0.00 0.00 54.79 54.23 1mg3 n ASP 292 Cb 0.23 -3.21 -0.10 0.00 -0.72 0.00 0.00 41.12 37.32 1mg3 n ASP 292 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1mg3 s ARG 293 N -5.60 1.43 -0.06 -0.67 0.52 -0.75 -2.75 118.95 111.07 1mg3 s ARG 293 Ca 0.35 -1.72 0.04 0.00 -0.52 0.00 0.00 55.73 53.89 1mg3 s ARG 293 Cb -0.13 -0.89 -0.00 0.00 0.52 0.00 0.00 34.95 34.44 1mg3 s ARG 293 CO 0.86 -0.02 -0.20 0.42 0.02 0.00 0.00 175.30 176.39 1mg3 s ILE 294 N -3.21 1.65 -0.09 1.52 1.01 -0.56 -1.76 121.20 119.76 1mg3 s ILE 294 Ca 0.28 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 60.13 1mg3 s ILE 294 Cb 0.05 -1.42 -0.02 0.00 0.01 0.00 0.00 42.46 41.08 1mg3 s ILE 294 CO 0.10 0.47 -0.16 -0.31 0.00 0.00 0.00 174.94 175.04 1mg3 s TYR 295 N 0.13 2.70 -0.02 3.97 1.51 0.14 -1.90 117.35 123.89 1mg3 s TYR 295 Ca -0.08 -0.56 0.00 0.00 -1.01 0.00 0.00 57.07 55.42 1mg3 s TYR 295 Cb -0.14 -1.73 0.02 0.00 -0.11 0.00 0.00 41.96 40.00 1mg3 s TYR 295 CO 0.04 -0.12 0.02 -1.17 -1.11 0.00 0.00 175.55 173.21 1mg3 s LEU 296 N -0.03 1.23 -0.15 -1.29 2.96 -0.62 -0.87 118.68 119.91 1mg3 s LEU 296 Ca -0.04 0.03 -0.29 0.00 -0.22 0.00 0.00 54.13 53.60 1mg3 s LEU 296 Cb -0.14 -0.06 -0.01 0.00 0.50 0.00 0.00 46.19 46.47 1mg3 s LEU 296 CO 0.04 -0.11 1.15 -0.76 -1.32 0.00 0.00 176.35 175.36 1mg3 s LEU 297 N 0.90 4.19 0.15 -0.68 1.43 0.03 -1.70 118.68 123.00 1mg3 s LEU 297 Ca -0.08 1.61 -0.02 0.00 -1.03 0.00 0.00 54.13 54.61 1mg3 s LEU 297 Cb -0.11 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 1mg3 s LEU 297 CO -0.02 -0.66 0.11 0.68 0.23 0.00 0.00 176.35 176.68 1mg3 s VAL 298 N 2.94 0.07 -0.08 -1.59 -7.23 -0.24 -2.34 120.40 111.93 1mg3 s VAL 298 Ca 0.51 -1.88 -0.32 0.00 -1.81 0.00 0.00 61.98 58.48 1mg3 s VAL 298 Cb -0.20 -2.16 0.13 0.00 0.56 0.00 0.00 36.38 34.72 1mg3 s VAL 298 CO 0.14 -0.31 1.40 -0.62 -0.31 0.00 0.00 175.10 175.40 1mg3 s ASP 299 N -3.07 -0.01 -0.04 4.85 -1.08 -0.92 -2.52 116.67 113.88 1mg3 s ASP 299 Ca 0.28 -0.04 -0.24 0.00 -0.52 0.00 0.00 52.55 52.03 1mg3 s ASP 299 Cb 0.07 0.03 -0.04 0.00 -1.46 0.00 0.00 42.92 41.52 1mg3 s ASP 299 CO 0.05 -0.06 0.73 -1.10 0.52 0.00 0.00 175.17 175.30 1mg3 s GLN 300 N -2.06 4.45 -0.11 4.34 -0.21 -1.26 -0.76 119.66 124.05 1mg3 s GLN 300 Ca 0.20 0.95 -0.30 0.00 0.02 0.00 0.00 55.36 56.23 1mg3 s GLN 300 Cb 0.05 -3.43 0.12 0.00 1.00 0.00 0.00 33.01 30.76 1mg3 s GLN 300 CO -0.05 0.11 0.99 -0.98 -2.12 0.00 0.00 175.29 173.24 1mg3 s ARG 301 N 0.60 0.63 0.73 2.91 1.70 -0.83 -4.96 118.95 119.72 1mg3 s ARG 301 Ca 0.39 -0.05 -0.15 0.00 -0.47 0.00 0.00 55.73 55.45 1mg3 s ARG 301 Cb -0.19 0.29 0.04 0.00 -0.57 0.00 0.00 34.95 34.53 1mg3 s ARG 301 CO 0.20 -0.24 1.22 0.34 -1.08 0.00 0.00 175.30 175.74 1mg3 s ASP 302 N -1.73 4.12 0.00 -2.89 2.15 -1.26 -4.79 116.67 112.27 1mg3 s ASP 302 Ca 0.02 2.40 0.08 0.00 0.43 0.00 0.00 52.55 55.48 1mg3 s ASP 302 Cb -0.01 -2.59 0.40 0.00 -0.30 0.00 0.00 42.92 40.42 1mg3 s ASP 302 CO -0.03 -2.32 1.08 -1.84 -0.17 0.00 0.00 175.17 171.89 1mg3 n GLU 303 N -2.72 0.13 -0.10 4.34 0.28 -1.26 -2.61 120.64 118.69 1mg3 n GLU 303 Ca 0.14 0.18 0.06 0.00 -0.16 0.00 0.00 57.16 57.38 1mg3 n GLU 303 Cb 0.50 -1.50 0.11 0.00 1.43 0.00 0.00 31.44 31.98 1mg3 n GLU 303 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 1mg3 n TRP 304 N -1.24 0.17 -1.63 -1.84 7.02 -1.26 -4.53 117.44 114.12 1mg3 n TRP 304 Ca 0.04 -0.75 -0.30 0.00 -1.02 0.00 0.00 57.50 55.47 1mg3 n TRP 304 Cb 0.06 -0.12 0.06 0.00 -2.42 0.00 0.00 31.31 28.88 1mg3 n TRP 304 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1mg3 n ARG 305 N -0.78 3.08 0.00 -0.99 5.12 -1.07 -4.75 116.66 117.26 1mg3 n ARG 305 Ca 0.11 -3.67 0.05 0.00 -1.93 0.00 0.00 57.85 52.40 1mg3 n ARG 305 Cb 0.51 -2.28 0.29 0.00 -1.16 0.00 0.00 32.46 29.82 1mg3 n ARG 305 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 1mg3 n HIS 306 N -0.83 0.00 0.04 -1.55 1.44 -1.26 -2.58 115.22 110.47 1mg3 n HIS 306 Ca 0.54 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 56.27 1mg3 n HIS 306 Cb 0.81 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.95 1mg3 n HIS 306 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1mg3 n LYS 307 N -0.88 1.16 -2.15 -1.40 5.02 -1.26 -2.30 118.16 116.35 1mg3 n LYS 307 Ca 0.07 -1.15 -0.29 0.00 -2.02 0.00 0.00 58.31 54.92 1mg3 n LYS 307 Cb 0.03 -1.06 0.02 0.00 -0.02 0.00 0.00 35.03 34.00 1mg3 n LYS 307 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1mg3 s THR 308 N -0.61 4.24 0.80 -0.18 -4.23 -1.06 -4.37 115.64 110.22 1mg3 s THR 308 Ca 0.05 0.46 -0.12 0.00 -1.18 0.00 0.00 61.69 60.89 1mg3 s THR 308 Cb 0.03 -3.69 0.08 0.00 1.34 0.00 0.00 72.50 70.26 1mg3 s THR 308 CO 0.04 -0.82 1.15 0.00 -0.54 0.00 0.00 174.62 174.45 1mg3 s ALA 309 N -3.09 1.94 0.13 3.99 0.00 -1.26 -2.53 121.76 120.94 1mg3 s ALA 309 Ca 0.54 0.58 0.09 0.00 0.00 0.00 0.00 51.96 53.17 1mg3 s ALA 309 Cb -0.11 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 1mg3 s ALA 309 CO 0.50 -2.13 -0.21 -1.12 0.00 0.00 0.00 175.76 172.80 1mg3 s SER 310 N -2.68 2.70 0.00 0.00 0.01 -0.25 -4.85 113.70 108.63 1mg3 s SER 310 Ca 0.67 -0.76 0.16 0.00 1.31 0.00 0.00 55.95 57.33 1mg3 s SER 310 Cb -0.23 -0.16 0.08 0.00 0.21 0.00 0.00 66.02 65.93 1mg3 s SER 310 CO 0.52 0.04 0.96 0.54 0.41 0.00 0.00 173.24 175.71 1mg3 n ARG 311 N 0.74 1.45 -4.27 12.44 1.74 -1.25 -1.93 116.66 125.59 1mg3 n ARG 311 Ca -0.17 -1.23 -0.20 0.00 -0.77 0.00 0.00 57.85 55.48 1mg3 n ARG 311 Cb 0.55 -1.30 -0.11 0.00 -1.02 0.00 0.00 32.46 30.58 1mg3 n ARG 311 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1mg3 s PHE 312 N -1.56 1.57 -0.07 -1.55 0.40 -1.05 -0.77 117.98 114.96 1mg3 s PHE 312 Ca 0.17 -0.50 -0.01 0.00 -0.60 0.00 0.00 56.93 55.99 1mg3 s PHE 312 Cb 0.13 -0.82 0.03 0.00 0.51 0.00 0.00 43.02 42.87 1mg3 s PHE 312 CO 0.28 0.20 -0.01 0.08 0.70 0.00 0.00 175.22 176.47 1mg3 s VAL 313 N -1.92 0.43 0.07 -0.44 1.01 -0.57 -1.08 120.40 117.90 1mg3 s VAL 313 Ca 0.10 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1mg3 s VAL 313 Cb -0.06 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1mg3 s VAL 313 CO 0.04 0.26 0.04 0.68 0.00 0.00 0.00 175.10 176.11 1mg3 s VAL 314 N 1.77 4.27 -0.09 2.92 -7.23 -0.69 0.10 120.40 121.46 1mg3 s VAL 314 Ca 0.02 -0.82 0.03 0.00 -1.81 0.00 0.00 61.98 59.40 1mg3 s VAL 314 Cb -0.13 -3.03 0.01 0.00 0.56 0.00 0.00 36.38 33.79 1mg3 s VAL 314 CO -0.04 0.16 -0.18 -0.69 -0.31 0.00 0.00 175.10 174.04 1mg3 s VAL 315 N -1.31 1.61 0.13 1.32 1.01 0.15 -1.58 120.40 121.73 1mg3 s VAL 315 Ca 0.26 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1mg3 s VAL 315 Cb -0.12 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1mg3 s VAL 315 CO 0.19 0.46 -0.11 -1.48 0.00 0.00 0.00 175.10 174.16 1mg3 s LEU 316 N 0.53 2.48 -0.34 3.92 2.34 -0.80 0.55 118.68 127.36 1mg3 s LEU 316 Ca -0.16 -0.93 -0.29 0.00 0.06 0.00 0.00 54.13 52.81 1mg3 s LEU 316 Cb -0.17 -0.36 0.00 0.00 -0.56 0.00 0.00 46.19 45.10 1mg3 s LEU 316 CO 0.06 -0.28 1.41 -0.62 -1.06 0.00 0.00 176.35 175.85 1mg3 s ASP 317 N -2.86 6.46 0.55 1.48 -1.08 0.41 -1.49 116.67 120.13 1mg3 s ASP 317 Ca 0.12 1.09 0.27 0.00 -0.52 0.00 0.00 52.55 53.51 1mg3 s ASP 317 Cb -0.00 -2.54 1.46 0.00 -1.46 0.00 0.00 42.92 40.38 1mg3 s ASP 317 CO 0.01 -1.28 1.99 0.00 0.52 0.00 0.00 175.17 176.40 1mg3 h ALA 318 N 10.22 2.35 0.00 3.66 0.00 -1.83 0.83 119.26 134.49 1mg3 h ALA 318 Ca -0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1mg3 h ALA 318 Cb 1.11 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1mg3 h ALA 318 CO 1.05 -0.63 -0.03 -0.22 0.00 0.00 0.00 179.25 179.43 1mg3 h LYS 319 N 0.00 0.00 -0.00 0.00 3.64 -1.90 -3.38 116.57 114.92 1mg3 h LYS 319 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1mg3 h LYS 319 Cb 0.99 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1mg3 h LYS 319 CO -0.00 0.00 -0.10 0.25 -2.27 0.00 0.00 179.45 177.32 1mg3 n THR 320 N -3.85 0.00 -0.84 1.00 -2.24 -1.17 -4.89 114.28 102.28 1mg3 n THR 320 Ca -0.00 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1mg3 n THR 320 Cb 0.01 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 1mg3 n THR 320 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mg3 n GLY 321 N 1.30 0.14 3.76 3.38 0.00 0.29 -4.92 105.19 109.13 1mg3 n GLY 321 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1mg3 n GLY 321 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mg3 s GLU 322 N -1.29 3.70 -0.46 1.61 2.12 -1.24 -4.62 118.70 118.51 1mg3 s GLU 322 Ca 0.00 2.12 -0.29 0.00 0.36 0.00 0.00 54.97 57.16 1mg3 s GLU 322 Cb 0.00 -2.55 0.02 0.00 0.26 0.00 0.00 34.13 31.86 1mg3 s GLU 322 CO 0.00 -0.70 1.21 0.50 -0.54 0.00 0.00 175.26 175.72 1mg3 s ARG 323 N -2.52 3.69 -0.04 4.30 6.06 -1.26 -0.45 118.95 128.73 1mg3 s ARG 323 Ca 0.62 0.66 -0.10 0.00 -2.50 0.00 0.00 55.73 54.41 1mg3 s ARG 323 Cb -0.37 -3.94 -0.30 0.00 0.06 0.00 0.00 34.95 30.40 1mg3 s ARG 323 CO 0.46 -1.43 0.69 -0.07 -2.50 0.00 0.00 175.30 172.45 1mg3 h LEU 324 N 11.47 0.60 -7.26 -0.88 3.38 -0.23 -3.48 115.31 118.90 1mg3 h LEU 324 Ca -0.24 -0.89 0.24 0.00 0.09 0.00 0.00 57.88 57.08 1mg3 h LEU 324 Cb 1.07 -0.20 -0.13 0.00 0.09 0.00 0.00 40.66 41.50 1mg3 h LEU 324 CO 1.12 1.75 0.68 0.00 0.09 0.00 0.00 178.44 182.09 1mg3 s ALA 325 N -2.58 -1.99 -0.13 1.53 0.00 -0.32 -4.96 121.76 113.31 1mg3 s ALA 325 Ca -0.15 0.78 -0.04 0.00 0.00 0.00 0.00 51.96 52.55 1mg3 s ALA 325 Cb 0.06 0.34 0.06 0.00 0.00 0.00 0.00 23.12 23.57 1mg3 s ALA 325 CO 0.86 -0.90 0.12 0.21 0.00 0.00 0.00 175.76 176.04 1mg3 s LYS 326 N -2.76 0.05 -0.03 0.00 2.20 -1.26 0.34 119.74 118.28 1mg3 s LYS 326 Ca 0.11 0.18 -0.02 0.00 -0.36 0.00 0.00 55.97 55.89 1mg3 s LYS 326 Cb 0.01 -1.17 -0.04 0.00 -1.51 0.00 0.00 37.83 35.13 1mg3 s LYS 326 CO -0.03 -0.53 0.09 -0.06 -0.36 0.00 0.00 175.35 174.45 1mg3 s PHE 327 N 2.20 3.33 -0.62 4.03 0.08 0.11 -4.95 117.98 122.17 1mg3 s PHE 327 Ca 0.04 0.26 -0.16 0.00 0.12 0.00 0.00 56.93 57.18 1mg3 s PHE 327 Cb -0.14 -1.78 0.14 0.00 -0.57 0.00 0.00 43.02 40.67 1mg3 s PHE 327 CO -0.08 0.57 0.61 -1.21 -0.10 0.00 0.00 175.22 175.01 1mg3 s GLU 328 N -1.55 3.14 0.57 0.44 2.02 -1.26 -1.51 118.70 120.55 1mg3 s GLU 328 Ca 0.21 -1.80 0.25 0.00 0.02 0.00 0.00 54.97 53.66 1mg3 s GLU 328 Cb -0.12 -4.34 1.64 0.00 0.10 0.00 0.00 34.13 31.41 1mg3 s GLU 328 CO 0.11 -1.37 2.22 0.52 0.02 0.00 0.00 175.26 176.76 1mg3 h MET 329 N 8.72 0.00 -0.13 1.61 2.86 -1.30 -3.47 114.93 123.22 1mg3 h MET 329 Ca -0.20 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.38 1mg3 h MET 329 Cb 1.08 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 1mg3 h MET 329 CO 0.99 0.01 -0.05 0.41 1.06 0.00 0.00 176.91 179.33 1mg3 n GLY 330 N -1.36 0.56 3.57 8.32 0.00 -1.25 -4.99 105.19 110.03 1mg3 n GLY 330 Ca -0.03 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 1mg3 n GLY 330 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1mg3 s HIS 331 N -1.89 0.29 -0.96 1.61 3.76 -1.26 -5.08 115.29 111.76 1mg3 s HIS 331 Ca 0.00 -0.66 -0.20 0.00 -0.15 0.00 0.00 55.06 54.06 1mg3 s HIS 331 Cb 0.00 0.21 0.11 0.00 1.11 0.00 0.00 32.58 34.01 1mg3 s HIS 331 CO 0.00 -0.97 1.22 -1.21 -0.85 0.00 0.00 174.74 172.93 1mg3 s GLU 332 N -3.99 3.61 -0.07 1.40 0.41 -1.26 -4.23 118.70 114.56 1mg3 s GLU 332 Ca 0.20 -1.62 -0.19 0.00 -0.41 0.00 0.00 54.97 52.94 1mg3 s GLU 332 Cb -0.00 -5.04 -0.05 0.00 -1.78 0.00 0.00 34.13 27.26 1mg3 s GLU 332 CO 0.07 -1.88 0.53 0.42 -0.49 0.00 0.00 175.26 173.91 1mg3 s ILE 333 N 3.24 5.08 -0.07 -1.63 -1.09 -0.81 -4.45 121.20 121.47 1mg3 s ILE 333 Ca 0.36 1.09 0.16 0.00 -2.23 0.00 0.00 60.65 60.04 1mg3 s ILE 333 Cb -0.03 -3.87 -0.24 0.00 -1.58 0.00 0.00 42.46 36.73 1mg3 s ILE 333 CO -0.09 0.36 0.26 0.47 -1.23 0.00 0.00 174.94 174.70 1mg3 n ASP 334 N 3.30 1.08 -3.78 3.58 8.00 0.83 -1.09 116.55 128.47 1mg3 n ASP 334 Ca -0.07 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.30 1mg3 n ASP 334 Cb 0.51 1.45 -0.09 0.00 -0.02 0.00 0.00 41.12 42.98 1mg3 n ASP 334 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1mg3 s SER 335 N -4.34 -0.16 0.12 -2.24 0.01 -0.60 0.98 113.70 107.47 1mg3 s SER 335 Ca -0.07 0.07 -0.00 0.00 1.31 0.00 0.00 55.95 57.26 1mg3 s SER 335 Cb 0.09 0.32 -0.04 0.00 0.21 0.00 0.00 66.02 66.59 1mg3 s SER 335 CO 0.69 -0.41 0.01 0.27 0.41 0.00 0.00 173.24 174.21 1mg3 s ILE 336 N -1.23 0.32 0.06 1.44 -4.36 -0.80 0.45 121.20 117.08 1mg3 s ILE 336 Ca -0.13 -1.90 -0.28 0.00 -0.26 0.00 0.00 60.65 58.08 1mg3 s ILE 336 Cb -0.05 -1.89 0.10 0.00 1.25 0.00 0.00 42.46 41.86 1mg3 s ILE 336 CO 0.03 -0.65 1.16 0.21 0.24 0.00 0.00 174.94 175.93 1mg3 s ASN 337 N -3.04 -0.09 0.05 4.36 3.84 -0.59 -4.68 114.94 114.80 1mg3 s ASN 337 Ca 0.18 -0.28 -0.01 0.00 0.21 0.00 0.00 52.86 52.96 1mg3 s ASN 337 Cb 0.07 0.30 -0.04 0.00 -0.55 0.00 0.00 41.25 41.03 1mg3 s ASN 337 CO -0.01 -0.57 -0.03 0.68 -2.79 0.00 0.00 177.10 174.38 1mg3 s VAL 338 N -2.66 0.21 0.46 -5.21 -7.23 -1.26 0.45 120.40 105.17 1mg3 s VAL 338 Ca 0.15 -1.69 -0.18 0.00 -1.81 0.00 0.00 61.98 58.45 1mg3 s VAL 338 Cb 0.02 -1.36 -0.09 0.00 0.56 0.00 0.00 36.38 35.51 1mg3 s VAL 338 CO -0.01 -0.93 0.94 -0.94 -0.31 0.00 0.00 175.10 173.85 1mg3 s SER 339 N -2.73 6.75 0.00 4.85 1.04 -0.81 -4.82 113.70 117.98 1mg3 s SER 339 Ca 0.04 1.58 0.24 0.00 0.48 0.00 0.00 55.95 58.28 1mg3 s SER 339 Cb 0.06 -2.50 0.61 0.00 0.10 0.00 0.00 66.02 64.28 1mg3 s SER 339 CO -0.09 -0.46 1.49 0.00 0.98 0.00 0.00 173.24 175.16 1mg3 n GLN 340 N -1.11 2.05 -1.01 4.02 1.13 -1.26 -4.31 117.38 116.88 1mg3 n GLN 340 Ca 0.06 -1.57 -0.30 0.00 -1.94 0.00 0.00 57.00 53.26 1mg3 n GLN 340 Cb 0.54 -1.46 0.24 0.00 0.11 0.00 0.00 30.24 29.67 1mg3 n GLN 340 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 1mg3 s ASP 341 N -1.72 0.85 0.05 1.08 3.84 -1.26 -4.73 116.67 114.79 1mg3 s ASP 341 Ca 0.34 0.71 -0.13 0.00 -0.00 0.00 0.00 52.55 53.47 1mg3 s ASP 341 Cb 0.20 -1.00 -0.04 0.00 -1.38 0.00 0.00 42.92 40.70 1mg3 s ASP 341 CO 0.30 -4.17 1.21 -0.08 -0.00 0.00 0.00 175.17 172.43 1mg3 h GLU 342 N -2.61 -0.13 -3.98 2.11 4.81 -2.00 -3.17 114.58 109.60 1mg3 h GLU 342 Ca -0.46 0.01 -0.76 0.00 -0.13 0.00 0.00 59.36 58.02 1mg3 h GLU 342 Cb 1.30 0.03 -0.27 0.00 0.63 0.00 0.00 28.75 30.44 1mg3 h GLU 342 CO 0.36 -0.09 -0.14 0.15 -0.73 0.00 0.00 179.01 178.56 1mg3 s LYS 343 N -4.00 3.10 0.72 1.92 1.02 -1.26 -4.97 119.74 116.26 1mg3 s LYS 343 Ca -0.05 -2.08 -0.14 0.00 0.02 0.00 0.00 55.97 53.72 1mg3 s LYS 343 Cb 0.03 -4.23 0.03 0.00 -0.52 0.00 0.00 37.83 33.14 1mg3 s LYS 343 CO 0.23 -1.28 1.16 -1.25 -0.92 0.00 0.00 175.35 173.30 1mg3 s PRO 344 N 0.87 2.30 0.01 -1.68 0.04 -1.20 -4.98 135.00 130.35 1mg3 s PRO 344 Ca 0.10 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1mg3 s PRO 344 Cb -0.21 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1mg3 s PRO 344 CO -0.03 -1.67 0.07 -1.17 0.04 0.00 0.00 177.00 174.24 1mg3 s LEU 345 N -5.19 3.82 -0.41 -3.56 2.96 -1.26 -2.62 118.68 112.41 1mg3 s LEU 345 Ca 0.70 0.10 -0.06 0.00 -0.22 0.00 0.00 54.13 54.65 1mg3 s LEU 345 Cb -0.25 -2.26 0.09 0.00 0.50 0.00 0.00 46.19 44.28 1mg3 s LEU 345 CO 0.45 0.26 0.23 -0.22 -1.32 0.00 0.00 176.35 175.75 1mg3 s LEU 346 N -1.80 5.16 0.05 -0.68 0.20 -0.36 -1.93 118.68 119.33 1mg3 s LEU 346 Ca 0.23 -1.75 -0.30 0.00 0.69 0.00 0.00 54.13 53.00 1mg3 s LEU 346 Cb -0.12 -1.91 -0.05 0.00 -0.43 0.00 0.00 46.19 43.69 1mg3 s LEU 346 CO 0.14 -0.54 1.05 -0.31 -0.29 0.00 0.00 176.35 176.40 1mg3 s TYR 347 N 1.29 3.62 -0.32 5.38 2.02 0.17 -1.69 117.35 127.82 1mg3 s TYR 347 Ca 0.05 1.60 -0.00 0.00 -0.37 0.00 0.00 57.07 58.34 1mg3 s TYR 347 Cb -0.23 -3.21 0.10 0.00 -0.40 0.00 0.00 41.96 38.22 1mg3 s TYR 347 CO -0.01 -0.38 0.10 0.00 -1.57 0.00 0.00 175.55 173.69 1mg3 s ALA 348 N 0.76 1.71 -0.07 3.71 0.00 0.31 -1.54 121.76 126.65 1mg3 s ALA 348 Ca 0.53 -1.82 -0.20 0.00 0.00 0.00 0.00 51.96 50.47 1mg3 s ALA 348 Cb -0.24 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 1mg3 s ALA 348 CO 0.29 -1.70 0.56 -1.17 0.00 0.00 0.00 175.76 173.74 1mg3 s LEU 349 N 1.46 4.33 -0.29 0.00 2.96 0.17 -1.02 118.68 126.29 1mg3 s LEU 349 Ca 0.10 1.00 -0.04 0.00 -0.22 0.00 0.00 54.13 54.97 1mg3 s LEU 349 Cb -0.18 -2.84 0.03 0.00 0.50 0.00 0.00 46.19 43.70 1mg3 s LEU 349 CO -0.22 0.01 0.03 -0.55 -1.32 0.00 0.00 176.35 174.30 1mg3 s SER 350 N 0.39 4.88 0.28 3.68 0.15 -0.31 -0.12 113.70 122.66 1mg3 s SER 350 Ca 0.30 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 55.97 1mg3 s SER 350 Cb -0.17 -1.78 0.40 0.00 -1.71 0.00 0.00 66.02 62.77 1mg3 s SER 350 CO 0.14 -0.22 1.78 0.74 1.20 0.00 0.00 173.24 176.88 1mg3 h THR 351 N 6.15 1.24 -0.34 6.45 2.02 -1.79 -0.15 112.91 126.48 1mg3 h THR 351 Ca -0.28 -1.00 -0.07 0.00 0.77 0.00 0.00 66.41 65.84 1mg3 h THR 351 Cb 1.10 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 1mg3 h THR 351 CO 0.58 0.34 -0.09 1.23 0.37 0.00 0.00 175.52 177.96 1mg3 h GLY 352 N 0.95 0.61 -0.64 2.16 0.00 -1.89 -3.04 103.07 101.22 1mg3 h GLY 352 Ca 0.12 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1mg3 h GLY 352 CO 0.02 0.39 -0.60 1.22 0.00 0.00 0.00 176.54 177.57 1mg3 n ASP 353 N -4.21 1.69 -3.94 0.19 8.00 -1.14 -4.95 116.55 112.19 1mg3 n ASP 353 Ca 0.01 -1.33 -0.28 0.00 0.71 0.00 0.00 54.79 53.90 1mg3 n ASP 353 Cb 0.31 0.59 0.00 0.00 -0.02 0.00 0.00 41.12 42.00 1mg3 n ASP 353 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1mg3 n LYS 354 N -0.46 -4.31 -4.23 -1.24 5.02 -0.09 -4.51 118.16 108.35 1mg3 n LYS 354 Ca 0.08 0.50 -0.17 0.00 -2.02 0.00 0.00 58.31 56.70 1mg3 n LYS 354 Cb 0.43 -5.08 -0.13 0.00 -0.02 0.00 0.00 35.03 30.23 1mg3 n LYS 354 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1mg3 s THR 355 N -3.56 0.85 -0.25 -0.18 2.01 -1.08 -0.97 115.64 112.46 1mg3 s THR 355 Ca 0.35 -0.93 -0.01 0.00 0.31 0.00 0.00 61.69 61.41 1mg3 s THR 355 Cb -0.18 -0.81 0.03 0.00 0.01 0.00 0.00 72.50 71.55 1mg3 s THR 355 CO 0.86 -0.10 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.40 1mg3 s LEU 356 N -1.16 3.20 -0.25 4.42 2.96 0.25 -1.16 118.68 126.95 1mg3 s LEU 356 Ca -0.02 -0.91 -0.15 0.00 -0.22 0.00 0.00 54.13 52.83 1mg3 s LEU 356 Cb -0.08 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 1mg3 s LEU 356 CO 0.01 -0.13 0.37 -0.31 -1.32 0.00 0.00 176.35 174.96 1mg3 s TYR 357 N 1.31 3.29 -0.37 5.38 1.51 -0.19 -1.25 117.35 127.03 1mg3 s TYR 357 Ca -0.00 0.46 -0.11 0.00 -1.01 0.00 0.00 57.07 56.41 1mg3 s TYR 357 Cb -0.17 -2.54 0.02 0.00 -0.11 0.00 0.00 41.96 39.17 1mg3 s TYR 357 CO -0.05 -0.14 0.20 0.42 -1.11 0.00 0.00 175.55 174.87 1mg3 s ILE 358 N 1.78 4.59 0.49 2.71 1.01 0.85 -0.53 121.20 132.10 1mg3 s ILE 358 Ca 0.16 -0.81 0.07 0.00 0.00 0.00 0.00 60.65 60.07 1mg3 s ILE 358 Cb -0.15 -3.54 0.01 0.00 0.01 0.00 0.00 42.46 38.79 1mg3 s ILE 358 CO 0.09 -0.21 0.42 -1.00 0.00 0.00 0.00 174.94 174.24 1mg3 s HIS 359 N 1.56 2.11 -0.27 3.97 3.76 -0.68 -0.73 115.29 125.01 1mg3 s HIS 359 Ca 0.02 -0.67 -0.17 0.00 -0.15 0.00 0.00 55.06 54.09 1mg3 s HIS 359 Cb -0.19 -2.05 -0.03 0.00 1.11 0.00 0.00 32.58 31.42 1mg3 s HIS 359 CO 0.07 -0.35 0.48 0.34 -0.85 0.00 0.00 174.74 174.42 1mg3 s ASP 360 N -4.23 6.37 0.61 1.40 2.15 0.10 -1.23 116.67 121.85 1mg3 s ASP 360 Ca 0.43 0.40 0.41 0.00 0.43 0.00 0.00 52.55 54.21 1mg3 s ASP 360 Cb -0.02 -2.26 2.11 0.00 -0.30 0.00 0.00 42.92 42.45 1mg3 s ASP 360 CO 0.26 -0.28 2.24 0.00 -0.17 0.00 0.00 175.17 177.21 1mg3 h ALA 361 N 8.11 1.00 0.00 3.66 0.00 -1.79 0.96 119.26 131.20 1mg3 h ALA 361 Ca -0.29 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1mg3 h ALA 361 Cb 1.14 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1mg3 h ALA 361 CO 0.70 0.00 -0.37 1.49 0.00 0.00 0.00 179.25 181.07 1mg3 h GLU 362 N 0.00 0.00 0.00 0.00 4.57 -1.93 -3.39 114.58 113.83 1mg3 h GLU 362 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1mg3 h GLU 362 Cb 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1mg3 h GLU 362 CO 0.00 0.54 -1.03 -1.13 -1.18 0.00 0.00 179.01 176.21 1mg3 n SER 363 N -4.62 0.78 0.00 1.04 3.41 -1.20 -4.96 113.62 108.07 1mg3 n SER 363 Ca -0.12 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1mg3 n SER 363 Cb 0.35 0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 1mg3 n SER 363 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mg3 n GLY 364 N 1.21 0.48 3.76 5.00 0.00 0.33 -4.99 105.19 110.97 1mg3 n GLY 364 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1mg3 n GLY 364 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mg3 s GLU 365 N -0.12 4.66 -0.27 1.61 2.12 -1.23 -4.68 118.70 120.79 1mg3 s GLU 365 Ca 0.00 1.69 -0.29 0.00 0.36 0.00 0.00 54.97 56.73 1mg3 s GLU 365 Cb 0.00 -3.15 0.01 0.00 0.26 0.00 0.00 34.13 31.25 1mg3 s GLU 365 CO 0.00 0.27 1.07 -2.00 -0.54 0.00 0.00 175.26 174.06 1mg3 s GLU 366 N -1.47 4.16 -0.18 4.30 2.12 -1.26 0.01 118.70 126.38 1mg3 s GLU 366 Ca 0.45 1.23 -0.20 0.00 0.36 0.00 0.00 54.97 56.81 1mg3 s GLU 366 Cb -0.29 -3.69 -0.21 0.00 0.26 0.00 0.00 34.13 30.19 1mg3 s GLU 366 CO 0.37 -0.77 0.31 -0.07 -0.54 0.00 0.00 175.26 174.56 1mg3 h LEU 367 N 9.78 0.09 -8.03 2.70 4.07 -1.24 -3.48 115.31 119.20 1mg3 h LEU 367 Ca -0.20 -0.64 0.04 0.00 0.08 0.00 0.00 57.88 57.16 1mg3 h LEU 367 Cb 1.06 -0.03 -0.04 0.00 1.08 0.00 0.00 40.66 42.73 1mg3 h LEU 367 CO 1.01 1.52 0.21 0.00 -1.08 0.00 0.00 178.44 180.09 1mg3 s ARG 368 N -2.39 1.87 0.17 1.13 1.70 -0.85 -5.02 118.95 115.56 1mg3 s ARG 368 Ca -0.26 -1.11 -0.04 0.00 -0.47 0.00 0.00 55.73 53.84 1mg3 s ARG 368 Cb 0.05 0.60 -0.03 0.00 -0.57 0.00 0.00 34.95 35.00 1mg3 s ARG 368 CO 0.64 -0.85 0.18 -1.54 -1.08 0.00 0.00 175.30 172.64 1mg3 s SER 369 N -2.96 0.16 -0.18 -2.89 1.04 -1.26 -0.11 113.70 107.49 1mg3 s SER 369 Ca 0.13 -1.15 -0.04 0.00 0.48 0.00 0.00 55.95 55.37 1mg3 s SER 369 Cb -0.05 0.38 0.09 0.00 0.10 0.00 0.00 66.02 66.54 1mg3 s SER 369 CO 0.08 -0.84 0.22 -0.69 0.98 0.00 0.00 173.24 172.99 1mg3 s VAL 370 N -4.06 -0.33 0.48 5.02 1.01 -0.38 -4.74 120.40 117.40 1mg3 s VAL 370 Ca 0.26 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.27 1mg3 s VAL 370 Cb 0.05 -0.61 0.08 0.00 0.00 0.00 0.00 36.38 35.90 1mg3 s VAL 370 CO 0.05 -0.13 0.66 -0.46 0.00 0.00 0.00 175.10 175.21 1mg3 n ASN 371 N 5.32 1.47 -3.56 3.32 0.23 -1.26 -0.58 115.26 120.20 1mg3 n ASN 371 Ca -0.05 -2.10 -0.21 0.00 -0.53 0.00 0.00 54.58 51.68 1mg3 n ASN 371 Cb 0.50 -0.37 0.08 0.00 -2.08 0.00 0.00 39.78 37.90 1mg3 n ASN 371 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1mg3 n GLN 372 N -2.09 -6.95 -2.45 -3.83 6.02 -0.53 -4.92 117.38 102.63 1mg3 n GLN 372 Ca 0.13 0.80 -0.41 0.00 -0.01 0.00 0.00 57.00 57.51 1mg3 n GLN 372 Cb 0.46 -5.79 0.01 0.00 1.02 0.00 0.00 30.24 25.94 1mg3 n GLN 372 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1mg3 n LEU 373 N -4.54 7.51 0.00 1.08 4.32 -0.15 -5.00 117.00 120.23 1mg3 n LEU 373 Ca -0.15 -5.21 0.00 0.00 -0.02 0.00 0.00 56.01 50.63 1mg3 n LEU 373 Cb 0.62 -1.24 0.00 0.00 -1.62 0.00 0.00 43.42 41.18 1mg3 n LEU 373 CO 0.64 2.02 0.00 0.61 -1.22 0.00 0.00 177.39 179.44 1mg3 n GLY 374 N 0.63 -1.57 0.00 -0.72 0.00 -1.26 -3.83 105.19 98.43 1mg3 n GLY 374 Ca 0.50 -1.58 0.10 0.00 0.00 0.00 0.00 46.02 45.05 1mg3 n GLY 374 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mg3 n HIS 375 N 0.00 0.00 -2.66 1.61 8.25 -1.26 -4.80 115.22 116.35 1mg3 n HIS 375 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 1mg3 n HIS 375 Cb 0.00 -0.19 0.10 0.00 1.12 0.00 0.00 29.99 31.02 1mg3 n HIS 375 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mg3 n GLY 376 N 1.42 -1.54 3.73 -1.41 0.00 -1.26 -4.83 105.19 101.29 1mg3 n GLY 376 Ca 0.01 0.89 -0.42 0.00 0.00 0.00 0.00 46.02 46.50 1mg3 n GLY 376 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mg3 n PRO 377 N 0.83 2.62 0.00 1.61 -0.04 -1.25 -4.09 135.00 134.68 1mg3 n PRO 377 Ca -0.03 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 1mg3 n PRO 377 Cb 0.74 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 1mg3 n PRO 377 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1mg3 n GLN 378 N 2.63 2.48 -4.87 0.54 6.02 -0.78 -3.87 117.38 119.54 1mg3 n GLN 378 Ca 0.11 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.78 1mg3 n GLN 378 Cb 0.35 -0.77 -0.16 0.00 1.02 0.00 0.00 30.24 30.68 1mg3 n GLN 378 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1mg3 s VAL 379 N -1.29 2.40 -0.13 5.09 1.01 -1.13 -4.57 120.40 121.78 1mg3 s VAL 379 Ca 0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 1mg3 s VAL 379 Cb 0.00 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1mg3 s VAL 379 CO 0.00 0.54 0.03 -0.63 0.00 0.00 0.00 175.10 175.04 1mg3 s ILE 380 N 0.54 4.50 -0.03 2.22 1.01 -1.26 -0.61 121.20 127.56 1mg3 s ILE 380 Ca -0.12 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.38 1mg3 s ILE 380 Cb -0.16 -2.96 0.03 0.00 0.01 0.00 0.00 42.46 39.37 1mg3 s ILE 380 CO 0.04 0.54 -0.01 -0.89 0.00 0.00 0.00 174.94 174.62 1mg3 s THR 381 N -0.24 0.26 0.12 2.92 2.01 0.11 -4.94 115.64 115.87 1mg3 s THR 381 Ca 0.07 0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.17 1mg3 s THR 381 Cb -0.12 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 72.01 1mg3 s THR 381 CO 0.02 0.17 -0.16 0.42 -0.69 0.00 0.00 174.62 174.38 1mg3 s THR 382 N 1.03 1.43 -0.09 -0.82 -4.23 -1.26 -0.72 115.64 110.97 1mg3 s THR 382 Ca -0.10 -1.67 -0.06 0.00 -1.18 0.00 0.00 61.69 58.69 1mg3 s THR 382 Cb -0.14 -1.52 -0.04 0.00 1.34 0.00 0.00 72.50 72.14 1mg3 s THR 382 CO -0.01 -0.33 0.13 0.00 -0.54 0.00 0.00 174.62 173.87 1mg3 s ALA 383 N -1.88 3.83 -0.50 3.99 0.00 -1.26 -5.02 121.76 120.93 1mg3 s ALA 383 Ca 0.08 -0.68 -0.19 0.00 0.00 0.00 0.00 51.96 51.17 1mg3 s ALA 383 Cb -0.06 -1.90 0.05 0.00 0.00 0.00 0.00 23.12 21.21 1mg3 s ALA 383 CO 0.04 0.64 0.62 0.34 0.00 0.00 0.00 175.76 177.40 1mg3 s ASP 384 N -1.20 6.23 0.19 0.00 -1.08 -1.23 -4.63 116.67 114.95 1mg3 s ASP 384 Ca 0.17 -0.85 0.04 0.00 -0.52 0.00 0.00 52.55 51.40 1mg3 s ASP 384 Cb -0.12 -2.29 -0.03 0.00 -1.46 0.00 0.00 42.92 39.02 1mg3 s ASP 384 CO 0.07 -0.87 0.28 -0.04 0.52 0.00 0.00 175.17 175.13 1mg3 s MET 385 N 2.63 3.30 0.00 4.34 -1.94 -1.24 -4.22 119.30 122.17 1mg3 s MET 385 Ca 0.16 -0.74 0.00 0.00 -1.71 0.00 0.00 55.69 53.39 1mg3 s MET 385 Cb -0.19 -2.85 0.00 0.00 2.01 0.00 0.00 34.83 33.81 1mg3 s MET 385 CO 0.13 0.47 0.00 0.41 -0.01 0.00 0.00 175.02 176.02