#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3imf n ALA 0 N 0.00 1.02 0.00 5.20 0.00 -1.07 -4.89 120.51 120.77 3imf n ALA 0 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3imf n ALA 0 Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3imf n ALA 0 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3imf n LYS 2 N 0.29 0.00 -0.88 0.00 2.85 -1.23 -5.05 118.16 114.14 3imf n LYS 2 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3imf n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3imf n LYS 2 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3imf n GLU 3 N 1.27 -0.82 -3.96 -1.58 1.02 -1.26 -4.94 120.64 110.37 3imf n GLU 3 Ca 0.00 0.20 -0.31 0.00 -0.02 0.00 0.00 57.16 57.03 3imf n GLU 3 Cb 0.00 -4.13 -0.05 0.00 -0.02 0.00 0.00 31.44 27.25 3imf n GLU 3 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3imf s LYS 4 N -1.07 3.28 -0.17 3.49 1.02 -1.26 -4.99 119.74 120.05 3imf s LYS 4 Ca 0.00 -0.50 0.01 0.00 0.02 0.00 0.00 55.97 55.49 3imf s LYS 4 Cb 0.00 -2.96 0.01 0.00 -0.52 0.00 0.00 37.83 34.37 3imf s LYS 4 CO 0.00 0.60 -0.18 0.08 -0.92 0.00 0.00 175.35 174.93 3imf s VAL 5 N -1.47 2.26 -0.13 3.17 1.01 -1.26 -0.58 120.40 123.41 3imf s VAL 5 Ca 0.33 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3imf s VAL 5 Cb -0.13 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 3imf s VAL 5 CO 0.26 0.53 -0.16 -0.69 0.00 0.00 0.00 175.10 175.04 3imf s VAL 6 N 1.14 2.71 -0.19 2.92 1.01 -0.02 -0.59 120.40 127.37 3imf s VAL 6 Ca 0.01 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 3imf s VAL 6 Cb -0.14 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 3imf s VAL 6 CO -0.08 0.53 0.04 -0.63 0.00 0.00 0.00 175.10 174.96 3imf s ILE 7 N 0.51 4.50 -0.26 2.22 1.01 0.20 0.06 121.20 129.44 3imf s ILE 7 Ca -0.11 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.43 3imf s ILE 7 Cb -0.16 -3.04 0.07 0.00 0.01 0.00 0.00 42.46 39.34 3imf s ILE 7 CO 0.04 0.44 -0.05 -0.63 0.00 0.00 0.00 174.94 174.75 3imf s ILE 8 N 0.65 1.76 0.43 2.92 1.01 0.76 -0.69 121.20 128.05 3imf s ILE 8 Ca 0.02 -1.49 -0.23 0.00 0.00 0.00 0.00 60.65 58.95 3imf s ILE 8 Cb -0.13 -2.04 -0.08 0.00 0.01 0.00 0.00 42.46 40.22 3imf s ILE 8 CO 0.02 -0.18 1.09 0.42 0.00 0.00 0.00 174.94 176.28 3imf s THR 9 N 1.26 3.51 -1.32 2.92 -4.23 -0.76 -2.46 115.64 114.57 3imf s THR 9 Ca -0.03 1.11 -0.03 0.00 -1.18 0.00 0.00 61.69 61.56 3imf s THR 9 Cb -0.19 -3.55 0.00 0.00 1.34 0.00 0.00 72.50 70.10 3imf s THR 9 CO -0.07 -0.04 0.35 0.61 -0.54 0.00 0.00 174.62 174.93 3imf n GLY 10 N 0.29 -0.30 0.31 3.99 0.00 -0.91 -2.54 105.19 106.02 3imf n GLY 10 Ca 0.07 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.08 3imf n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3imf n GLY 11 N -1.28 -0.26 0.35 -0.02 0.00 -0.90 -4.01 105.19 99.08 3imf n GLY 11 Ca -0.12 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.77 3imf n GLY 11 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3imf n SER 12 N -0.12 1.44 -4.01 1.61 3.41 -1.26 -3.30 113.62 111.39 3imf n SER 12 Ca 0.12 -1.15 -0.10 0.00 -0.26 0.00 0.00 58.87 57.48 3imf n SER 12 Cb 0.19 0.29 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 3imf n SER 12 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3imf s SER 13 N -2.50 -0.05 0.00 4.04 1.04 -1.26 -4.65 113.70 110.33 3imf s SER 13 Ca 0.22 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.68 3imf s SER 13 Cb 0.19 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.84 3imf s SER 13 CO 0.55 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 174.31 3imf n GLY 14 N -0.34 -0.06 3.52 7.32 0.00 -1.26 -2.04 105.19 112.33 3imf n GLY 14 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3imf n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3imf n GLY 16 N 0.00 0.00 0.14 -0.02 0.00 -1.26 -1.79 105.19 102.27 3imf n GLY 16 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3imf n GLY 16 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3imf h LYS 17 N 0.00 0.16 -0.54 1.61 3.11 -1.40 0.07 116.57 119.58 3imf h LYS 17 Ca 0.00 -0.14 0.00 0.00 -2.81 0.00 0.00 60.65 57.70 3imf h LYS 17 Cb 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.26 3imf h LYS 17 CO 0.00 0.80 0.00 0.41 -2.81 0.00 0.00 179.45 177.85 3imf n GLY 18 N 0.49 0.33 1.95 5.01 0.00 -0.74 -0.51 105.19 111.72 3imf n GLY 18 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3imf n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3imf n ALA 20 N 0.50 0.00 -0.16 4.61 0.00 0.01 -2.43 120.51 123.04 3imf n ALA 20 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3imf n ALA 20 Cb 0.06 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.52 3imf n ALA 20 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3imf h THR 21 N 0.00 1.19 -0.05 0.00 2.02 -1.06 -1.87 112.91 113.15 3imf h THR 21 Ca 0.00 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 3imf h THR 21 Cb 0.00 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 3imf h THR 21 CO 0.00 0.21 -0.00 -0.09 0.37 0.00 0.00 175.52 176.01 3imf h ARG 22 N 0.63 0.08 -1.00 6.66 9.65 -1.75 -1.04 114.38 127.61 3imf h ARG 22 Ca 0.16 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 59.04 3imf h ARG 22 Cb 0.13 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.65 3imf h ARG 22 CO -0.02 0.38 0.66 0.74 2.80 0.00 0.00 179.97 184.52 3imf h PHE 23 N -0.22 1.23 -0.54 2.20 0.04 -1.84 -1.16 116.94 116.64 3imf h PHE 23 Ca 0.01 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.72 3imf h PHE 23 Cb 0.34 -0.41 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 3imf h PHE 23 CO 0.04 0.73 -0.03 0.00 -0.60 0.00 0.00 178.31 178.44 3imf h ALA 24 N 1.41 0.91 0.00 2.45 0.00 -1.25 -2.14 119.26 120.64 3imf h ALA 24 Ca 0.39 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3imf h ALA 24 Cb -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3imf h ALA 24 CO -0.11 0.64 -0.20 0.87 0.00 0.00 0.00 179.25 180.45 3imf h LYS 25 N 0.87 0.00 -0.19 0.00 1.57 -0.39 -0.71 116.57 117.73 3imf h LYS 25 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3imf h LYS 25 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3imf h LYS 25 CO 0.03 0.20 0.00 0.39 -0.57 0.00 0.00 179.45 179.50 3imf n GLU 26 N -3.86 1.51 -0.76 3.15 -0.58 -0.52 -4.91 120.64 114.66 3imf n GLU 26 Ca -0.02 -0.78 0.00 0.00 -0.42 0.00 0.00 57.16 55.94 3imf n GLU 26 Cb 0.29 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 3imf n GLU 26 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3imf n GLY 27 N 0.92 0.67 3.87 0.62 0.00 -0.27 -2.58 105.19 108.42 3imf n GLY 27 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3imf n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3imf s ALA 28 N -2.31 3.15 0.14 4.61 0.00 -0.86 -3.91 121.76 122.59 3imf s ALA 28 Ca 0.00 -0.15 -0.26 0.00 0.00 0.00 0.00 51.96 51.55 3imf s ALA 28 Cb 0.00 -2.99 -0.07 0.00 0.00 0.00 0.00 23.12 20.05 3imf s ALA 28 CO 0.00 -0.60 0.82 1.03 0.00 0.00 0.00 175.76 177.01 3imf s ARG 29 N -5.04 4.61 -0.08 0.00 1.81 0.26 -4.47 118.95 116.04 3imf s ARG 29 Ca 0.54 1.22 0.02 0.00 -1.72 0.00 0.00 55.73 55.79 3imf s ARG 29 Cb -0.11 -3.30 0.01 0.00 -0.45 0.00 0.00 34.95 31.10 3imf s ARG 29 CO 0.51 0.46 -0.14 0.08 -0.68 0.00 0.00 175.30 175.53 3imf s VAL 30 N -0.77 1.32 -0.25 3.52 1.01 -0.70 -0.84 120.40 123.69 3imf s VAL 30 Ca 0.38 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 3imf s VAL 30 Cb -0.23 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 3imf s VAL 30 CO 0.27 0.40 0.08 -0.69 0.00 0.00 0.00 175.10 175.16 3imf s VAL 31 N 0.73 4.42 -0.07 2.92 1.01 0.11 -1.11 120.40 128.41 3imf s VAL 31 Ca -0.13 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3imf s VAL 31 Cb -0.16 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 3imf s VAL 31 CO 0.03 0.33 -0.14 0.27 0.00 0.00 0.00 175.10 175.59 3imf s ILE 32 N 1.62 3.03 0.19 2.22 -4.36 -0.43 -0.17 121.20 123.31 3imf s ILE 32 Ca 0.06 -0.72 0.09 0.00 -0.26 0.00 0.00 60.65 59.83 3imf s ILE 32 Cb -0.15 -2.21 -0.04 0.00 1.25 0.00 0.00 42.46 41.31 3imf s ILE 32 CO 0.04 0.57 -0.09 0.42 0.24 0.00 0.00 174.94 176.13 3imf s THR 33 N -0.39 3.21 0.07 8.37 -4.23 -1.03 -1.24 115.64 120.40 3imf s THR 33 Ca 0.04 -1.71 -0.27 0.00 -1.18 0.00 0.00 61.69 58.57 3imf s THR 33 Cb -0.12 -2.61 0.09 0.00 1.34 0.00 0.00 72.50 71.20 3imf s THR 33 CO 0.02 -0.15 1.15 -0.83 -0.54 0.00 0.00 174.62 174.27 3imf s GLY 34 N -2.96 -0.25 0.00 3.99 0.00 -0.94 -2.11 107.32 105.05 3imf s GLY 34 Ca 0.26 0.30 0.23 0.00 0.00 0.00 0.00 44.72 45.51 3imf s GLY 34 CO 0.16 0.97 1.15 0.54 0.00 0.00 0.00 173.10 175.92 3imf n ARG 35 N -0.56 0.49 -4.38 2.90 5.12 -1.26 -4.14 116.66 114.83 3imf n ARG 35 Ca -0.06 -0.38 -0.24 0.00 -1.93 0.00 0.00 57.85 55.25 3imf n ARG 35 Cb 0.61 -1.49 -0.17 0.00 -1.16 0.00 0.00 32.46 30.25 3imf n ARG 35 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3imf s THR 36 N -2.77 0.95 0.12 0.55 -4.23 -1.26 -5.05 115.64 103.95 3imf s THR 36 Ca 0.14 -0.35 -0.23 0.00 -1.18 0.00 0.00 61.69 60.08 3imf s THR 36 Cb 0.17 -0.90 -0.06 0.00 1.34 0.00 0.00 72.50 73.05 3imf s THR 36 CO 0.70 0.32 1.69 0.11 -0.54 0.00 0.00 174.62 176.89 3imf h LYS 37 N 7.18 -0.15 -0.38 3.99 1.57 -2.00 -2.90 116.57 123.88 3imf h LYS 37 Ca -0.32 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.50 3imf h LYS 37 Cb 1.17 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.48 3imf h LYS 37 CO 0.46 -0.10 0.17 1.05 -0.57 0.00 0.00 179.45 180.46 3imf h GLU 38 N -0.15 0.34 -0.73 3.15 9.09 -1.99 -1.43 114.58 122.84 3imf h GLU 38 Ca 0.06 -0.02 -0.03 0.00 0.05 0.00 0.00 59.36 59.42 3imf h GLU 38 Cb 0.24 -0.08 -0.03 0.00 -1.65 0.00 0.00 28.75 27.23 3imf h GLU 38 CO -0.16 0.22 0.33 0.87 0.05 0.00 0.00 179.01 180.33 3imf h LYS 39 N 0.35 1.07 -0.47 1.06 1.57 -1.94 -1.53 116.57 116.67 3imf h LYS 39 Ca 0.16 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3imf h LYS 39 Cb 0.10 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3imf h LYS 39 CO -0.13 0.85 0.30 -0.07 -0.57 0.00 0.00 179.45 179.83 3imf h LEU 40 N 1.04 0.55 -0.55 2.94 3.38 -1.27 -0.11 115.31 121.28 3imf h LEU 40 Ca 0.25 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 3imf h LEU 40 Cb 0.15 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3imf h LEU 40 CO -0.03 0.42 0.34 -0.33 0.09 0.00 0.00 178.44 178.93 3imf h GLU 41 N 0.64 0.74 0.02 1.13 5.08 -0.98 -0.94 114.58 120.27 3imf h GLU 41 Ca 0.17 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3imf h GLU 41 Cb -0.05 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.04 3imf h GLU 41 CO -0.04 0.53 -0.01 0.93 -1.00 0.00 0.00 179.01 179.43 3imf h GLU 42 N 0.74 -0.02 -0.40 2.33 5.08 -1.05 -1.60 114.58 119.66 3imf h GLU 42 Ca 0.20 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.62 3imf h GLU 42 Cb -0.03 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 3imf h GLU 42 CO -0.04 0.10 0.08 0.00 -1.00 0.00 0.00 179.01 178.15 3imf h ALA 43 N 0.84 0.43 -0.59 3.43 0.00 -0.85 -0.58 119.26 121.94 3imf h ALA 43 Ca -0.00 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3imf h ALA 43 Cb 0.13 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3imf h ALA 43 CO 0.00 -0.32 0.31 -0.22 0.00 0.00 0.00 179.25 179.02 3imf h LYS 44 N 0.21 0.57 -0.49 0.00 3.64 -1.02 -1.10 116.57 118.37 3imf h LYS 44 Ca 0.19 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 3imf h LYS 44 Cb 0.23 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3imf h LYS 44 CO -0.25 0.38 0.06 -0.07 -2.27 0.00 0.00 179.45 177.29 3imf h LEU 45 N 0.58 0.74 -0.86 5.20 3.38 -0.67 -1.40 115.31 122.29 3imf h LEU 45 Ca 0.26 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 3imf h LEU 45 Cb 0.17 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3imf h LEU 45 CO -0.18 0.76 -0.39 -0.33 0.09 0.00 0.00 178.44 178.39 3imf h GLU 46 N 0.74 0.36 0.00 1.13 5.08 -0.04 -3.37 114.58 118.49 3imf h GLU 46 Ca 0.16 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3imf h GLU 46 Cb 0.36 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3imf h GLU 46 CO 0.01 0.70 -1.56 0.44 -1.00 0.00 0.00 179.01 177.60 3imf n ILE 47 N -4.03 0.00 -1.79 3.13 -5.35 -0.52 -5.00 119.36 105.79 3imf n ILE 47 Ca -0.01 -0.29 -0.42 0.00 -0.27 0.00 0.00 62.75 61.75 3imf n ILE 47 Cb 0.48 0.23 -0.03 0.00 -1.74 0.00 0.00 39.64 38.59 3imf n ILE 47 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3imf s GLU 48 N -2.87 4.16 0.02 6.28 2.12 -0.54 -4.76 118.70 123.10 3imf s GLU 48 Ca -0.04 2.50 0.20 0.00 0.36 0.00 0.00 54.97 57.99 3imf s GLU 48 Cb 0.08 -3.60 -0.20 0.00 0.26 0.00 0.00 34.13 30.67 3imf s GLU 48 CO 0.54 -0.80 0.63 1.04 -0.54 0.00 0.00 175.26 176.12 3imf n GLN 49 N 5.67 0.64 -3.61 4.30 1.13 -1.26 -4.98 117.38 119.27 3imf n GLN 49 Ca 0.17 -0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 55.10 3imf n GLN 49 Cb 0.39 -1.66 -0.05 0.00 0.11 0.00 0.00 30.24 29.03 3imf n GLN 49 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 3imf s PHE 50 N -3.21 -0.31 0.27 1.08 -0.12 -1.26 -5.10 117.98 109.33 3imf s PHE 50 Ca -0.05 0.21 -0.31 0.00 -0.05 0.00 0.00 56.93 56.73 3imf s PHE 50 Cb 0.11 0.29 -0.12 0.00 -0.63 0.00 0.00 43.02 42.67 3imf s PHE 50 CO 0.85 -0.65 1.61 -2.30 -0.05 0.00 0.00 175.22 174.67 3imf n PRO 51 N 0.19 2.65 -0.95 1.99 -0.02 -1.26 -1.97 135.00 135.62 3imf n PRO 51 Ca -0.18 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3imf n PRO 51 Cb 0.61 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 3imf n PRO 51 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3imf n GLY 52 N 2.55 0.84 0.25 -1.23 0.00 -1.26 -4.92 105.19 101.42 3imf n GLY 52 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 3imf n GLY 52 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3imf h GLN 53 N 2.52 0.75 -5.87 1.61 4.15 -1.79 -3.44 115.11 113.02 3imf h GLN 53 Ca 0.00 -0.35 -0.67 0.00 0.77 0.00 0.00 58.65 58.39 3imf h GLN 53 Cb 0.00 -0.01 -0.19 0.00 0.21 0.00 0.00 27.48 27.49 3imf h GLN 53 CO 0.00 0.97 -0.67 0.42 -1.93 0.00 0.00 178.83 177.62 3imf s ILE 54 N -4.41 3.87 -0.17 2.39 -1.09 -1.26 -1.73 121.20 118.80 3imf s ILE 54 Ca -0.09 -0.40 0.01 0.00 -2.23 0.00 0.00 60.65 57.94 3imf s ILE 54 Cb 0.12 -2.62 0.01 0.00 -1.58 0.00 0.00 42.46 38.39 3imf s ILE 54 CO 0.84 0.57 -0.19 -0.22 -1.23 0.00 0.00 174.94 174.71 3imf s LEU 55 N -0.50 2.19 -0.06 2.97 2.96 -0.27 -4.99 118.68 120.98 3imf s LEU 55 Ca 0.08 -0.61 -0.10 0.00 -0.22 0.00 0.00 54.13 53.28 3imf s LEU 55 Cb -0.12 -1.49 -0.05 0.00 0.50 0.00 0.00 46.19 45.03 3imf s LEU 55 CO 0.02 0.03 0.26 0.42 -1.32 0.00 0.00 176.35 175.76 3imf s THR 56 N 1.11 5.30 -0.12 3.68 -4.23 -1.26 -1.32 115.64 118.80 3imf s THR 56 Ca 0.00 0.46 -0.02 0.00 -1.18 0.00 0.00 61.69 60.95 3imf s THR 56 Cb -0.14 -3.54 0.04 0.00 1.34 0.00 0.00 72.50 70.20 3imf s THR 56 CO -0.08 0.58 0.01 -0.69 -0.54 0.00 0.00 174.62 173.90 3imf s VAL 57 N -1.07 0.50 -0.12 2.29 1.01 -0.37 -4.96 120.40 117.68 3imf s VAL 57 Ca 0.19 -0.18 -0.25 0.00 0.00 0.00 0.00 61.98 61.75 3imf s VAL 57 Cb -0.14 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 3imf s VAL 57 CO 0.09 0.09 0.79 -1.58 0.00 0.00 0.00 175.10 174.50 3imf s GLN 58 N 1.90 4.37 -0.08 2.72 0.74 -1.26 -2.22 119.66 125.83 3imf s GLN 58 Ca 0.03 1.00 -0.02 0.00 0.05 0.00 0.00 55.36 56.42 3imf s GLN 58 Cb -0.14 -3.52 0.03 0.00 1.10 0.00 0.00 33.01 30.48 3imf s GLN 58 CO -0.07 -0.16 0.01 0.34 -0.55 0.00 0.00 175.29 174.87 3imf s ASP 60 N 1.02 1.67 0.37 6.67 -1.08 -1.26 -4.96 116.67 119.10 3imf s ASP 60 Ca 0.39 -0.14 0.26 0.00 -0.52 0.00 0.00 52.55 52.54 3imf s ASP 60 Cb -0.17 -0.43 1.32 0.00 -1.46 0.00 0.00 42.92 42.18 3imf s ASP 60 CO 0.16 -0.21 1.78 -0.37 0.52 0.00 0.00 175.17 177.05 3imf h VAL 61 N 6.35 0.00 -0.00 1.11 -1.51 -1.94 -1.41 116.25 118.85 3imf h VAL 61 Ca -0.19 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 3imf h VAL 61 Cb 1.12 0.68 0.00 0.00 -2.13 0.00 0.00 31.29 30.97 3imf h VAL 61 CO 0.26 0.00 -0.07 0.54 -1.23 0.00 0.00 177.57 177.07 3imf n ARG 62 N -2.40 0.33 -3.81 5.19 1.74 -1.26 -4.41 116.66 112.04 3imf n ARG 62 Ca -0.01 -0.05 -0.37 0.00 -0.77 0.00 0.00 57.85 56.65 3imf n ARG 62 Cb 0.09 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 29.90 3imf n ARG 62 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3imf s ASN 63 N -2.71 5.04 0.47 0.55 3.84 -0.53 -4.98 114.94 116.62 3imf s ASN 63 Ca 0.23 -0.97 0.23 0.00 0.21 0.00 0.00 52.86 52.56 3imf s ASN 63 Cb 0.20 -1.82 1.18 0.00 -0.55 0.00 0.00 41.25 40.25 3imf s ASN 63 CO 0.50 -0.24 1.97 0.71 -2.79 0.00 0.00 177.10 177.25 3imf h THR 64 N 6.10 0.72 -0.32 -5.21 1.35 -1.85 -2.12 112.91 111.59 3imf h THR 64 Ca -0.27 -0.81 -0.12 0.00 -0.55 0.00 0.00 66.41 64.65 3imf h THR 64 Cb 1.10 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 69.02 3imf h THR 64 CO 0.59 0.19 -0.28 0.44 -0.25 0.00 0.00 175.52 176.21 3imf h ASP 65 N 0.00 0.80 -0.94 5.36 3.32 -1.94 -2.17 116.42 120.85 3imf h ASP 65 Ca -0.00 -0.46 0.02 0.00 0.02 0.00 0.00 57.03 56.61 3imf h ASP 65 Cb 0.49 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.76 3imf h ASP 65 CO 0.03 1.09 0.62 0.44 -1.72 0.00 0.00 179.24 179.70 3imf h ASP 66 N 0.52 1.06 -0.24 6.45 3.32 -1.71 -0.81 116.42 125.01 3imf h ASP 66 Ca 0.06 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3imf h ASP 66 Cb 0.85 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3imf h ASP 66 CO 0.07 0.76 0.05 0.40 -1.72 0.00 0.00 179.24 178.80 3imf h ILE 67 N 1.25 1.22 -0.50 0.35 2.04 -1.33 -3.06 117.51 117.47 3imf h ILE 67 Ca 0.35 -0.71 0.02 0.00 1.00 0.00 0.00 64.86 65.52 3imf h ILE 67 Cb -0.11 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 3imf h ILE 67 CO -0.08 0.23 0.30 -0.61 0.00 0.00 0.00 178.15 177.98 3imf h GLN 68 N 0.21 0.59 -1.38 2.37 5.75 -1.02 -1.05 115.11 120.58 3imf h GLN 68 Ca 0.07 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 3imf h GLN 68 Cb 0.29 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.71 3imf h GLN 68 CO 0.00 0.39 0.00 1.63 -2.65 0.00 0.00 178.83 178.20 3imf n LYS 69 N -4.79 0.15 0.00 1.69 5.02 -0.34 -1.44 118.16 118.44 3imf n LYS 69 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 3imf n LYS 69 Cb 0.06 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 3imf n LYS 69 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3imf n ILE 71 N 0.79 0.00 -0.18 -0.18 5.41 -0.40 -1.33 119.36 123.47 3imf n ILE 71 Ca 0.00 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.69 3imf n ILE 71 Cb 0.06 0.00 0.10 0.00 -0.71 0.00 0.00 39.64 39.09 3imf n ILE 71 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 3imf h GLU 72 N 0.00 0.96 -0.42 0.38 -0.00 -1.52 -0.80 114.58 113.19 3imf h GLU 72 Ca 0.00 -0.26 -0.05 0.00 -0.00 0.00 0.00 59.36 59.04 3imf h GLU 72 Cb 0.00 -0.11 -0.02 0.00 -0.00 0.00 0.00 28.75 28.62 3imf h GLU 72 CO 0.00 0.92 0.05 0.37 -0.00 0.00 0.00 179.01 180.35 3imf h GLN 73 N 0.90 0.71 -0.44 1.06 4.15 -1.47 -1.44 115.11 118.57 3imf h GLN 73 Ca 0.17 -0.20 -0.07 0.00 0.77 0.00 0.00 58.65 59.32 3imf h GLN 73 Cb 0.46 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 3imf h GLN 73 CO 0.02 0.76 -0.01 0.82 -1.93 0.00 0.00 178.83 178.49 3imf h ILE 74 N 0.55 1.26 -0.85 2.39 2.04 -1.77 -1.48 117.51 119.66 3imf h ILE 74 Ca 0.12 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 3imf h ILE 74 Cb 0.41 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 3imf h ILE 74 CO 0.01 0.36 0.53 -0.78 0.00 0.00 0.00 178.15 178.27 3imf h ASP 75 N 0.63 1.00 -0.16 1.72 3.58 -1.06 0.32 116.42 122.45 3imf h ASP 75 Ca 0.12 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 3imf h ASP 75 Cb 0.51 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 3imf h ASP 75 CO 0.02 0.76 0.05 -0.08 -2.88 0.00 0.00 179.24 177.12 3imf h GLU 76 N 1.16 0.26 -0.02 0.28 4.81 -1.04 0.24 114.58 120.26 3imf h GLU 76 Ca 0.31 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 3imf h GLU 76 Cb -0.07 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.27 3imf h GLU 76 CO -0.06 0.37 -0.13 -0.22 -0.73 0.00 0.00 179.01 178.24 3imf h LYS 77 N 0.09 0.13 0.00 1.92 3.64 -1.00 -3.40 116.57 117.96 3imf h LYS 77 Ca 0.05 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3imf h LYS 77 Cb 0.22 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3imf h LYS 77 CO -0.00 0.78 -1.52 1.19 -2.27 0.00 0.00 179.45 177.63 3imf n PHE 78 N -4.63 0.00 -0.99 1.91 3.72 0.11 -5.03 117.46 112.56 3imf n PHE 78 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3imf n PHE 78 Cb 0.41 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 3imf n PHE 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3imf n GLY 79 N 1.87 0.87 3.68 1.37 0.00 0.85 -4.98 105.19 108.85 3imf n GLY 79 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 3imf n GLY 79 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3imf s ARG 80 N -0.04 1.05 -0.07 1.61 1.70 -1.26 -4.96 118.95 116.98 3imf s ARG 80 Ca 0.00 -0.54 -0.03 0.00 -0.47 0.00 0.00 55.73 54.69 3imf s ARG 80 Cb 0.00 0.39 0.04 0.00 -0.57 0.00 0.00 34.95 34.81 3imf s ARG 80 CO 0.00 -0.48 0.15 0.42 -1.08 0.00 0.00 175.30 174.31 3imf s ILE 81 N -3.19 -0.10 -0.13 4.99 1.01 -1.26 -4.76 121.20 117.76 3imf s ILE 81 Ca 0.10 0.22 0.04 0.00 0.00 0.00 0.00 60.65 61.01 3imf s ILE 81 Cb -0.01 -0.25 -0.10 0.00 0.01 0.00 0.00 42.46 42.11 3imf s ILE 81 CO -0.01 0.09 -0.07 0.47 0.00 0.00 0.00 174.94 175.42 3imf n ASP 82 N 4.45 2.75 -3.84 3.58 9.92 0.24 -4.93 116.55 128.73 3imf n ASP 82 Ca -0.22 -0.05 -0.15 0.00 -0.53 0.00 0.00 54.79 53.85 3imf n ASP 82 Cb 0.51 0.12 -0.15 0.00 -0.64 0.00 0.00 41.12 40.96 3imf n ASP 82 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3imf s ILE 83 N -2.27 0.09 -0.13 0.53 1.01 -0.84 -2.35 121.20 117.24 3imf s ILE 83 Ca -0.14 0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.59 3imf s ILE 83 Cb 0.04 -0.14 0.00 0.00 0.01 0.00 0.00 42.46 42.37 3imf s ILE 83 CO 0.35 0.08 -0.21 -0.22 0.00 0.00 0.00 174.94 174.94 3imf s LEU 84 N 0.55 2.21 -0.27 2.97 2.96 -0.57 -0.63 118.68 125.90 3imf s LEU 84 Ca -0.05 -0.54 0.00 0.00 -0.22 0.00 0.00 54.13 53.32 3imf s LEU 84 Cb -0.08 -1.46 0.05 0.00 0.50 0.00 0.00 46.19 45.20 3imf s LEU 84 CO -0.01 0.12 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.45 3imf s ILE 85 N 0.59 2.64 -0.65 6.68 1.01 0.13 -0.84 121.20 130.76 3imf s ILE 85 Ca -0.12 -1.40 -0.22 0.00 0.00 0.00 0.00 60.65 58.91 3imf s ILE 85 Cb -0.16 -2.49 0.08 0.00 0.01 0.00 0.00 42.46 39.89 3imf s ILE 85 CO 0.03 -0.01 0.92 0.20 0.00 0.00 0.00 174.94 176.09 3imf s ASN 86 N 1.21 6.19 0.00 3.58 0.01 -0.20 -1.82 114.94 123.91 3imf s ASN 86 Ca -0.05 -1.11 0.00 0.00 -0.71 0.00 0.00 52.86 50.99 3imf s ASN 86 Cb -0.19 -2.40 0.00 0.00 0.41 0.00 0.00 41.25 39.07 3imf s ASN 86 CO -0.03 -1.37 0.00 -3.20 -1.51 0.00 0.00 177.10 170.98 3imf n ASN 87 N 7.42 4.68 -4.24 -1.22 5.15 -1.24 -4.55 115.26 121.25 3imf n ASN 87 Ca -0.04 0.00 -0.57 0.00 -0.60 0.00 0.00 54.58 53.37 3imf n ASN 87 Cb 0.45 0.38 -0.08 0.00 -0.53 0.00 0.00 39.78 40.00 3imf n ASN 87 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3imf n ALA 88 N -2.08 -3.02 -3.04 5.20 0.00 -1.05 -4.85 120.51 111.67 3imf n ALA 88 Ca 0.00 0.54 -0.09 0.00 0.00 0.00 0.00 53.44 53.89 3imf n ALA 88 Cb 0.49 -1.67 -0.06 0.00 0.00 0.00 0.00 19.45 18.21 3imf n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3imf s ALA 89 N 0.55 -0.05 -0.14 0.00 0.00 -1.26 -4.72 121.76 116.14 3imf s ALA 89 Ca 0.87 -0.98 -0.07 0.00 0.00 0.00 0.00 51.96 51.79 3imf s ALA 89 Cb -1.23 1.11 0.06 0.00 0.00 0.00 0.00 23.12 23.06 3imf s ALA 89 CO 0.58 -0.82 0.32 0.20 0.00 0.00 0.00 175.76 176.04 3imf s GLY 90 N -3.04 -0.22 -0.09 0.00 0.00 -1.26 -5.03 107.32 97.69 3imf s GLY 90 Ca 0.24 1.20 -0.25 0.00 0.00 0.00 0.00 44.72 45.92 3imf s GLY 90 CO 0.09 1.64 0.58 0.21 0.00 0.00 0.00 173.10 175.62 3imf s ASN 91 N 1.66 -0.55 0.06 1.64 2.47 -1.26 -4.86 114.94 114.12 3imf s ASN 91 Ca -0.07 0.71 -0.27 0.00 0.42 0.00 0.00 52.86 53.65 3imf s ASN 91 Cb -0.10 0.67 0.09 0.00 -1.45 0.00 0.00 41.25 40.45 3imf s ASN 91 CO -0.10 -0.47 0.94 0.72 -3.72 0.00 0.00 177.10 174.47 3imf s PHE 92 N -0.83 -0.23 -0.09 0.43 -0.71 -1.26 -4.43 117.98 110.86 3imf s PHE 92 Ca -0.09 0.02 -0.09 0.00 -1.04 0.00 0.00 56.93 55.74 3imf s PHE 92 Cb -0.02 0.58 -0.04 0.00 -1.21 0.00 0.00 43.02 42.33 3imf s PHE 92 CO 0.06 -0.65 0.21 0.42 -1.34 0.00 0.00 175.22 173.92 3imf s ILE 93 N -3.15 5.39 -0.28 -4.49 1.01 -1.26 -4.65 121.20 113.76 3imf s ILE 93 Ca 0.09 0.37 -0.16 0.00 0.00 0.00 0.00 60.65 60.95 3imf s ILE 93 Cb -0.01 -3.48 0.11 0.00 0.01 0.00 0.00 42.46 39.09 3imf s ILE 93 CO -0.04 0.61 0.80 0.00 0.00 0.00 0.00 174.94 176.31 3imf n PRO 95 N 4.10 2.38 -0.30 0.00 -0.02 -1.26 -4.49 135.00 135.41 3imf n PRO 95 Ca -0.19 0.83 0.11 0.00 -2.02 0.00 0.00 63.50 62.23 3imf n PRO 95 Cb 0.58 -2.52 0.34 0.00 -0.02 0.00 0.00 33.50 31.89 3imf n PRO 95 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3imf h ALA 96 N 2.67 1.74 0.00 3.55 0.00 -1.97 0.46 119.26 125.70 3imf h ALA 96 Ca -0.49 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3imf h ALA 96 Cb 1.26 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3imf h ALA 96 CO 0.63 0.01 0.00 -0.85 0.00 0.00 0.00 179.25 179.04 3imf n GLU 97 N -4.59 0.09 0.00 0.00 0.00 -1.26 -3.08 120.64 111.80 3imf n GLU 97 Ca 0.18 0.19 0.09 0.00 0.00 0.00 0.00 57.16 57.62 3imf n GLU 97 Cb 0.44 -1.63 -0.05 0.00 0.00 0.00 0.00 31.44 30.20 3imf n GLU 97 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3imf n ASP 98 N -1.79 1.27 -4.71 -1.84 8.00 0.11 -4.97 116.55 112.63 3imf n ASP 98 Ca 0.05 -1.14 -0.42 0.00 0.71 0.00 0.00 54.79 53.99 3imf n ASP 98 Cb 0.29 0.75 -0.03 0.00 -0.02 0.00 0.00 41.12 42.11 3imf n ASP 98 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3imf s LEU 99 N -2.52 4.36 0.60 0.64 2.96 -0.96 -4.96 118.68 118.79 3imf s LEU 99 Ca 0.11 2.30 -0.16 0.00 -0.22 0.00 0.00 54.13 56.16 3imf s LEU 99 Cb 0.14 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.22 3imf s LEU 99 CO 0.59 -0.69 1.06 -0.94 -1.32 0.00 0.00 176.35 175.06 3imf s SER 100 N 1.36 5.75 0.21 3.68 1.04 -1.26 -4.90 113.70 119.59 3imf s SER 100 Ca 0.65 1.83 -0.10 0.00 0.48 0.00 0.00 55.95 58.81 3imf s SER 100 Cb -0.36 -2.53 0.16 0.00 0.10 0.00 0.00 66.02 63.38 3imf s SER 100 CO 0.30 -1.19 1.87 0.58 0.98 0.00 0.00 173.24 175.78 3imf h VAL 101 N 0.43 1.20 -0.49 5.02 2.07 -1.99 -1.24 116.25 121.26 3imf h VAL 101 Ca -0.47 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 3imf h VAL 101 Cb 1.22 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3imf h VAL 101 CO 0.57 0.20 0.13 0.78 0.02 0.00 0.00 177.57 179.27 3imf h ASN 102 N 1.04 0.68 -0.09 0.57 2.35 -1.98 -0.16 115.58 117.98 3imf h ASN 102 Ca 0.28 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 3imf h ASN 102 Cb -0.09 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.10 3imf h ASN 102 CO -0.06 0.66 0.02 1.23 -1.65 0.00 0.00 177.43 177.64 3imf h GLY 103 N 0.90 0.16 0.69 2.83 0.00 -1.77 -0.13 103.07 105.76 3imf h GLY 103 Ca 0.16 -0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.42 3imf h GLY 103 CO -0.00 0.09 -0.06 -0.25 0.00 0.00 0.00 176.54 176.32 3imf h TRP 104 N -0.05 -0.14 -0.87 5.60 2.91 -1.10 -2.79 115.95 119.50 3imf h TRP 104 Ca 0.03 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.11 3imf h TRP 104 Cb 0.24 0.08 -0.06 0.00 -0.51 0.00 0.00 29.16 28.92 3imf h TRP 104 CO 0.00 -0.09 0.56 -0.91 -1.03 0.00 0.00 178.44 176.97 3imf h ASN 105 N -0.05 0.91 -0.84 2.65 2.35 -0.91 -2.09 115.58 117.61 3imf h ASN 105 Ca 0.07 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 3imf h ASN 105 Cb 0.15 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 3imf h ASN 105 CO -0.15 0.61 0.45 0.77 -1.65 0.00 0.00 177.43 177.47 3imf h SER 106 N 1.06 1.05 -0.11 5.81 4.64 -0.84 0.13 113.55 125.29 3imf h SER 106 Ca 0.36 -0.10 -0.10 0.00 -0.47 0.00 0.00 61.79 61.48 3imf h SER 106 Cb 0.06 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.88 3imf h SER 106 CO -0.13 0.85 -0.32 0.58 -0.87 0.00 0.00 176.83 176.94 3imf h VAL 107 N 1.17 1.39 -0.93 0.95 2.07 -1.21 -1.56 116.25 118.13 3imf h VAL 107 Ca 0.29 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 66.18 3imf h VAL 107 Cb 0.04 2.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 3imf h VAL 107 CO -0.05 0.48 0.59 0.40 0.02 0.00 0.00 177.57 179.01 3imf h ILE 108 N -0.02 1.25 -0.25 4.57 1.08 -1.24 0.15 117.51 123.04 3imf h ILE 108 Ca -0.01 -0.49 -0.03 0.00 -0.39 0.00 0.00 64.86 63.94 3imf h ILE 108 Cb 0.93 -0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.59 3imf h ILE 108 CO 0.07 0.25 0.03 0.78 -0.69 0.00 0.00 178.15 178.59 3imf h ASN 109 N 1.26 0.40 -0.03 1.72 2.35 -0.67 -0.71 115.58 119.91 3imf h ASN 109 Ca 0.34 -0.27 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 3imf h ASN 109 Cb -0.10 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.16 3imf h ASN 109 CO -0.07 0.57 -0.14 0.40 -1.65 0.00 0.00 177.43 176.55 3imf h ILE 110 N 0.22 1.47 0.01 2.81 2.04 -1.14 0.83 117.51 123.76 3imf h ILE 110 Ca 0.07 -1.60 -0.00 0.00 1.00 0.00 0.00 64.86 64.33 3imf h ILE 110 Cb 0.34 2.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 3imf h ILE 110 CO 0.01 0.44 -0.01 0.58 0.00 0.00 0.00 178.15 179.17 3imf h VAL 111 N -0.42 1.23 0.00 1.67 2.07 -1.04 -3.20 116.25 116.56 3imf h VAL 111 Ca -0.01 -1.86 -0.02 0.00 0.82 0.00 0.00 66.70 65.63 3imf h VAL 111 Cb 0.78 2.30 -0.00 0.00 -1.52 0.00 0.00 31.29 32.85 3imf h VAL 111 CO 0.03 0.41 -0.25 0.25 0.02 0.00 0.00 177.57 178.02 3imf h LEU 112 N -0.97 0.00 -0.35 2.57 5.85 -1.32 -3.14 115.31 117.94 3imf h LEU 112 Ca -0.00 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.43 3imf h LEU 112 Cb 0.68 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 3imf h LEU 112 CO 0.00 0.76 0.02 0.78 -0.34 0.00 0.00 178.44 179.66 3imf h ASN 113 N -1.00 0.59 -0.56 1.25 2.35 -1.16 -1.99 115.58 115.07 3imf h ASN 113 Ca -0.04 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.41 3imf h ASN 113 Cb 0.44 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 3imf h ASN 113 CO -0.02 0.74 0.31 1.23 -1.65 0.00 0.00 177.43 178.04 3imf h GLY 114 N 0.43 0.86 1.19 2.83 0.00 -0.82 0.21 103.07 107.78 3imf h GLY 114 Ca 0.10 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 3imf h GLY 114 CO 0.01 0.37 -0.11 -0.84 0.00 0.00 0.00 176.54 175.97 3imf h THR 115 N 0.82 1.27 -0.33 4.70 2.02 -1.45 -1.49 112.91 118.44 3imf h THR 115 Ca 0.21 -1.24 -0.11 0.00 0.77 0.00 0.00 66.41 66.03 3imf h THR 115 Cb 0.04 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 3imf h THR 115 CO -0.03 0.43 -0.23 0.15 0.37 0.00 0.00 175.52 176.22 3imf h PHE 116 N 0.84 0.86 -0.62 3.16 3.57 -0.53 -0.84 116.94 123.38 3imf h PHE 116 Ca 0.13 -0.23 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 3imf h PHE 116 Cb 0.65 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 3imf h PHE 116 CO 0.04 0.97 0.35 1.88 -2.23 0.00 0.00 178.31 179.32 3imf h TYR 117 N 0.50 0.83 -0.38 0.41 0.05 -0.54 0.63 116.97 118.47 3imf h TYR 117 Ca 0.06 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.75 3imf h TYR 117 Cb 0.78 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 3imf h TYR 117 CO 0.06 0.59 -0.07 0.00 -1.05 0.00 0.00 178.16 177.70 3imf h SER 119 N 0.51 0.81 -0.40 0.00 0.02 -0.83 -0.41 113.55 113.24 3imf h SER 119 Ca 0.10 -0.34 -0.12 0.00 -0.84 0.00 0.00 61.79 60.59 3imf h SER 119 Cb 0.57 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 3imf h SER 119 CO 0.03 0.96 -0.22 -0.61 -1.14 0.00 0.00 176.83 175.85 3imf h GLN 120 N 0.64 0.86 -0.35 3.45 4.15 -0.92 0.11 115.11 123.06 3imf h GLN 120 Ca 0.12 -0.39 -0.10 0.00 0.77 0.00 0.00 58.65 59.04 3imf h GLN 120 Cb 0.58 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 3imf h GLN 120 CO 0.03 1.03 -0.19 0.00 -1.93 0.00 0.00 178.83 177.78 3imf h ALA 121 N 0.81 0.49 -0.46 3.38 0.00 -1.29 0.05 119.26 122.23 3imf h ALA 121 Ca 0.09 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 3imf h ALA 121 Cb 0.79 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3imf h ALA 121 CO 0.06 0.43 -0.26 0.82 0.00 0.00 0.00 179.25 180.31 3imf h ILE 122 N 0.52 1.27 -0.67 0.00 1.08 -1.07 -2.21 117.51 116.42 3imf h ILE 122 Ca 0.07 -1.43 -0.00 0.00 -0.39 0.00 0.00 64.86 63.11 3imf h ILE 122 Cb 0.74 1.19 -0.03 0.00 -3.07 0.00 0.00 36.82 35.64 3imf h ILE 122 CO 0.06 0.49 0.41 1.23 -0.69 0.00 0.00 178.15 179.65 3imf h GLY 123 N 0.85 0.97 1.28 5.37 0.00 -0.61 -1.06 103.07 109.88 3imf h GLY 123 Ca 0.10 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 3imf h GLY 123 CO 0.07 0.39 0.19 0.50 0.00 0.00 0.00 176.54 177.69 3imf h LYS 124 N 0.92 0.91 -0.24 4.80 1.57 -0.85 0.89 116.57 124.56 3imf h LYS 124 Ca 0.24 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3imf h LYS 124 Cb -0.04 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 3imf h LYS 124 CO -0.05 0.78 0.16 -0.92 -0.57 0.00 0.00 179.45 178.85 3imf h TYR 125 N 0.88 0.30 -0.69 -1.35 5.03 -0.81 -1.98 116.97 118.36 3imf h TYR 125 Ca 0.20 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.46 3imf h TYR 125 Cb 0.25 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.39 3imf h TYR 125 CO 0.02 0.20 0.23 -1.49 -1.32 0.00 0.00 178.16 175.79 3imf h TRP 126 N 0.32 1.08 -0.45 -3.82 6.55 -0.59 -1.28 115.95 117.76 3imf h TRP 126 Ca 0.09 -0.10 -0.01 0.00 0.95 0.00 0.00 58.89 59.82 3imf h TRP 126 Cb -0.02 -0.32 -0.02 0.00 -0.86 0.00 0.00 29.16 27.94 3imf h TRP 126 CO -0.06 0.86 0.25 0.82 -1.05 0.00 0.00 178.44 179.26 3imf h ILE 127 N 1.02 1.16 -0.42 1.49 2.04 -0.68 0.32 117.51 122.43 3imf h ILE 127 Ca 0.23 -0.40 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 3imf h ILE 127 Cb 0.27 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3imf h ILE 127 CO -0.01 0.17 -0.14 -0.08 0.00 0.00 0.00 178.15 178.09 3imf h GLU 128 N 0.59 0.77 -0.02 2.37 4.81 -1.14 -2.99 114.58 118.97 3imf h GLU 128 Ca 0.16 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3imf h GLU 128 Cb 0.05 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.37 3imf h GLU 128 CO -0.03 0.87 -0.10 1.63 -0.73 0.00 0.00 179.01 180.65 3imf n LYS 129 N -4.15 1.53 -2.86 1.92 5.02 -0.50 -4.95 118.16 114.17 3imf n LYS 129 Ca 0.01 -1.01 -0.16 0.00 -2.02 0.00 0.00 58.31 55.13 3imf n LYS 129 Cb 0.38 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 33.94 3imf n LYS 129 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3imf n GLY 130 N 1.27 -0.14 3.73 0.72 0.00 0.89 -5.01 105.19 106.65 3imf n GLY 130 Ca 0.16 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3imf n GLY 130 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3imf s ILE 131 N -3.02 5.30 -1.27 -0.61 1.01 0.07 -5.00 121.20 117.68 3imf s ILE 131 Ca 0.24 0.56 -0.13 0.00 0.00 0.00 0.00 60.65 61.32 3imf s ILE 131 Cb -0.11 -3.64 0.14 0.00 0.01 0.00 0.00 42.46 38.87 3imf s ILE 131 CO 0.30 0.39 1.70 0.29 0.00 0.00 0.00 174.94 177.61 3imf n LYS 132 N 3.59 3.38 -1.40 2.79 4.01 -1.26 -4.63 118.16 124.63 3imf n LYS 132 Ca -0.12 -3.55 -0.29 0.00 -0.51 0.00 0.00 58.31 53.84 3imf n LYS 132 Cb 0.52 -3.09 0.18 0.00 -0.51 0.00 0.00 35.03 32.13 3imf n LYS 132 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 3imf s GLY 133 N 2.43 1.61 -0.06 0.72 0.00 -1.26 -4.82 107.32 105.94 3imf s GLY 133 Ca 0.44 -0.74 0.02 0.00 0.00 0.00 0.00 44.72 44.44 3imf s GLY 133 CO 0.01 -0.04 -0.10 -1.31 0.00 0.00 0.00 173.10 171.66 3imf s ASN 134 N -4.03 1.59 -0.09 1.64 0.01 -0.99 -1.58 114.94 111.49 3imf s ASN 134 Ca 0.68 -0.25 0.03 0.00 -0.71 0.00 0.00 52.86 52.60 3imf s ASN 134 Cb -0.12 -0.73 -0.01 0.00 0.41 0.00 0.00 41.25 40.79 3imf s ASN 134 CO 0.55 0.00 -0.18 -0.63 -1.51 0.00 0.00 177.10 175.33 3imf s ILE 135 N 0.80 2.66 -0.14 0.60 1.01 0.26 -1.52 121.20 124.87 3imf s ILE 135 Ca -0.12 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.70 3imf s ILE 135 Cb -0.15 -2.05 0.02 0.00 0.01 0.00 0.00 42.46 40.29 3imf s ILE 135 CO 0.02 0.56 -0.15 -0.63 0.00 0.00 0.00 174.94 174.74 3imf s ILE 136 N -0.08 1.59 0.00 2.92 1.01 -0.02 -1.57 121.20 125.05 3imf s ILE 136 Ca -0.04 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 59.96 3imf s ILE 136 Cb -0.14 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 40.85 3imf s ILE 136 CO 0.04 0.46 0.00 0.59 0.00 0.00 0.00 174.94 176.03 3imf n ASN 137 N 4.64 0.00 0.00 3.58 3.02 -0.10 -1.03 115.26 125.37 3imf n ASN 137 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 3imf n ASN 137 Cb 0.50 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 3imf n ASN 137 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3imf n VAL 139 N 0.00 0.00 -3.95 2.41 0.24 0.53 -1.65 118.33 115.91 3imf n VAL 139 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.21 3imf n VAL 139 Cb 0.00 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.27 3imf n VAL 139 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3imf s ALA 140 N -1.00 0.01 0.28 2.33 0.00 -1.26 -4.12 121.76 118.00 3imf s ALA 140 Ca 0.00 -0.62 0.35 0.00 0.00 0.00 0.00 51.96 51.69 3imf s ALA 140 Cb 0.00 0.24 1.61 0.00 0.00 0.00 0.00 23.12 24.97 3imf s ALA 140 CO 0.00 -0.31 2.08 1.79 0.00 0.00 0.00 175.76 179.32 3imf h THR 141 N 3.70 0.12 0.00 0.00 1.35 -1.87 -0.72 112.91 115.49 3imf h THR 141 Ca -0.33 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 3imf h THR 141 Cb 1.18 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 3imf h THR 141 CO 0.51 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 175.81 3imf n TYR 142 N -3.18 0.00 0.29 4.73 0.18 -1.26 -3.39 117.16 114.54 3imf n TYR 142 Ca -0.01 0.00 0.16 0.00 1.88 0.00 0.00 57.90 59.94 3imf n TYR 142 Cb 0.25 -0.20 0.91 0.00 -0.38 0.00 0.00 39.34 39.92 3imf n TYR 142 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3imf h ALA 143 N 3.43 1.29 -0.06 -3.48 0.00 -1.38 -2.79 119.26 116.27 3imf h ALA 143 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3imf h ALA 143 Cb 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3imf h ALA 143 CO 0.00 0.05 -0.19 -2.67 0.00 0.00 0.00 179.25 176.45 3imf n TRP 144 N -3.56 0.21 -1.65 0.00 2.14 -1.22 -4.23 117.44 109.13 3imf n TRP 144 Ca -0.02 -1.23 0.00 0.00 2.07 0.00 0.00 57.50 58.32 3imf n TRP 144 Cb 0.15 -0.24 0.00 0.00 -0.81 0.00 0.00 31.31 30.41 3imf n TRP 144 CO 0.00 0.00 0.00 -3.47 2.07 0.00 0.00 177.69 176.29 3imf n ASP 145 N -1.20 0.00 -4.88 -0.67 -0.08 -1.05 -5.15 116.55 103.51 3imf n ASP 145 Ca 0.19 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 53.14 3imf n ASP 145 Cb 0.72 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 44.13 3imf n ASP 145 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3imf s ALA 146 N -1.47 3.81 -0.55 -1.67 0.00 -1.26 -4.94 121.76 115.67 3imf s ALA 146 Ca 0.00 -0.53 0.07 0.00 0.00 0.00 0.00 51.96 51.50 3imf s ALA 146 Cb 0.00 -2.12 0.26 0.00 0.00 0.00 0.00 23.12 21.26 3imf s ALA 146 CO 0.00 0.64 0.70 0.41 0.00 0.00 0.00 175.76 177.51 3imf n GLY 147 N 0.79 4.26 3.72 0.00 0.00 -1.26 -4.76 105.19 107.94 3imf n GLY 147 Ca -0.08 -2.37 -0.42 0.00 0.00 0.00 0.00 46.02 43.14 3imf n GLY 147 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3imf n PRO 148 N 0.89 2.71 0.00 1.61 -0.04 -1.26 -0.97 135.00 137.94 3imf n PRO 148 Ca 0.27 0.97 0.00 0.00 -0.04 0.00 0.00 63.50 64.71 3imf n PRO 148 Cb 0.45 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 3imf n PRO 148 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3imf n GLY 149 N 3.54 2.63 2.50 0.55 0.00 -1.26 -4.84 105.19 108.31 3imf n GLY 149 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 3imf n GLY 149 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3imf n VAL 150 N -2.00 1.77 -0.32 1.61 0.24 -0.15 -0.35 118.33 119.14 3imf n VAL 150 Ca 0.00 -3.68 0.04 0.00 -2.04 0.00 0.00 64.34 58.66 3imf n VAL 150 Cb 0.00 0.02 0.23 0.00 -1.47 0.00 0.00 33.84 32.62 3imf n VAL 150 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 3imf h ILE 151 N 3.56 1.05 -0.15 1.34 2.10 -1.82 -0.32 117.51 123.27 3imf h ILE 151 Ca 0.09 -0.36 0.02 0.00 1.08 0.00 0.00 64.86 65.70 3imf h ILE 151 Cb 1.27 -0.09 -0.02 0.00 -1.09 0.00 0.00 36.82 36.89 3imf h ILE 151 CO 0.53 0.19 0.00 1.12 -1.08 0.00 0.00 178.15 178.91 3imf h HIS 152 N 1.05 -0.01 -0.15 2.19 2.07 -1.92 -1.73 115.15 116.66 3imf h HIS 152 Ca 0.41 0.01 -0.16 0.00 -2.85 0.00 0.00 60.37 57.78 3imf h HIS 152 Cb 0.23 0.02 -0.01 0.00 2.57 0.00 0.00 27.41 30.23 3imf h HIS 152 CO -0.00 -0.02 -0.58 0.77 -3.07 0.00 0.00 177.93 175.03 3imf h SER 153 N 0.05 0.53 -0.46 3.10 0.02 -1.66 -1.75 113.55 113.38 3imf h SER 153 Ca 0.07 -0.29 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 3imf h SER 153 Cb 0.08 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 3imf h SER 153 CO -0.12 0.99 0.22 0.00 -1.14 0.00 0.00 176.83 176.78 3imf h ALA 154 N 1.02 0.59 -0.11 3.77 0.00 -1.02 0.11 119.26 123.62 3imf h ALA 154 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3imf h ALA 154 Cb 1.11 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3imf h ALA 154 CO 0.10 0.15 0.01 0.00 0.00 0.00 0.00 179.25 179.52 3imf h ALA 155 N 1.06 0.15 -0.48 0.00 0.00 -1.29 -1.17 119.26 117.53 3imf h ALA 155 Ca 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3imf h ALA 155 Cb 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3imf h ALA 155 CO -0.02 -0.19 0.23 0.00 0.00 0.00 0.00 179.25 179.27 3imf h ALA 156 N 0.78 0.61 -0.04 0.00 0.00 -1.17 -1.41 119.26 118.03 3imf h ALA 156 Ca 0.03 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 3imf h ALA 156 Cb 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3imf h ALA 156 CO 0.00 0.17 -0.58 0.87 0.00 0.00 0.00 179.25 179.71 3imf h LYS 157 N 0.63 0.14 -0.53 0.00 1.79 -0.80 -0.64 116.57 117.15 3imf h LYS 157 Ca 0.16 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.52 3imf h LYS 157 Cb 0.11 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 3imf h LYS 157 CO -0.02 0.68 0.24 0.00 -1.08 0.00 0.00 179.45 179.27 3imf h ALA 158 N 1.30 0.69 -0.88 3.86 0.00 -1.01 -0.31 119.26 122.91 3imf h ALA 158 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3imf h ALA 158 Cb 1.06 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3imf h ALA 158 CO 0.08 0.27 0.57 0.78 0.00 0.00 0.00 179.25 180.95 3imf h GLY 159 N 0.72 1.25 1.06 0.00 0.00 -0.78 -1.50 103.07 103.82 3imf h GLY 159 Ca 0.18 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 3imf h GLY 159 CO -0.02 0.47 0.33 -2.08 0.00 0.00 0.00 176.54 175.24 3imf h VAL 160 N 1.20 1.26 -0.61 4.60 2.07 -0.69 -2.87 116.25 121.21 3imf h VAL 160 Ca 0.32 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 3imf h VAL 160 Cb -0.11 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 3imf h VAL 160 CO -0.07 0.33 0.19 0.25 0.02 0.00 0.00 177.57 178.30 3imf h LEU 161 N 1.16 0.88 -1.86 2.57 5.85 -0.71 0.23 115.31 123.44 3imf h LEU 161 Ca 0.27 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3imf h LEU 161 Cb 0.20 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3imf h LEU 161 CO -0.02 0.85 0.00 0.00 -0.34 0.00 0.00 178.44 178.93 3imf n ALA 162 N -2.40 1.66 0.00 1.25 0.00 -0.60 -2.13 120.51 118.29 3imf n ALA 162 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3imf n ALA 162 Cb 0.21 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3imf n ALA 162 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3imf n THR 164 N 0.82 0.00 -0.10 0.00 -1.04 0.07 -1.21 114.28 112.82 3imf n THR 164 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 3imf n THR 164 Cb 0.10 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.59 3imf n THR 164 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 3imf h LYS 165 N 0.00 0.90 -0.06 -2.82 1.57 -1.70 -1.64 116.57 112.82 3imf h LYS 165 Ca 0.00 -0.51 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 3imf h LYS 165 Cb 0.00 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 3imf h LYS 165 CO 0.00 1.15 0.02 1.15 -0.57 0.00 0.00 179.45 181.20 3imf h THR 166 N 0.72 1.18 -0.64 -0.16 2.02 -1.44 -2.78 112.91 111.82 3imf h THR 166 Ca 0.04 -0.54 -0.04 0.00 0.77 0.00 0.00 66.41 66.64 3imf h THR 166 Cb 1.04 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.85 3imf h THR 166 CO 0.10 0.15 0.25 -0.07 0.37 0.00 0.00 175.52 176.33 3imf h LEU 167 N -0.11 0.85 -1.32 2.58 3.38 -1.80 -1.74 115.31 117.15 3imf h LEU 167 Ca 0.02 -0.12 0.10 0.00 0.09 0.00 0.00 57.88 57.97 3imf h LEU 167 Cb 0.23 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 3imf h LEU 167 CO -0.00 0.77 0.53 0.00 0.09 0.00 0.00 178.44 179.83 3imf h ALA 168 N 1.36 1.74 0.11 1.53 0.00 -1.20 0.12 119.26 122.92 3imf h ALA 168 Ca 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3imf h ALA 168 Cb 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3imf h ALA 168 CO -0.02 0.10 -0.05 0.28 0.00 0.00 0.00 179.25 179.56 3imf h VAL 169 N 0.76 0.63 0.67 0.00 2.07 -1.17 -2.45 116.25 116.76 3imf h VAL 169 Ca 0.37 -1.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 3imf h VAL 169 Cb 0.44 1.13 0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3imf h VAL 169 CO -0.15 0.19 -0.32 -0.33 0.02 0.00 0.00 177.57 176.98 3imf h GLU 170 N -0.98 -0.86 0.00 1.57 5.08 -1.24 -2.11 114.58 116.04 3imf h GLU 170 Ca -0.01 0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 3imf h GLU 170 Cb 0.42 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3imf h GLU 170 CO 0.02 -0.57 -0.68 -1.49 -1.00 0.00 0.00 179.01 175.29 3imf h TRP 171 N -0.90 0.00 -0.46 4.33 6.55 -0.95 -1.26 115.95 123.25 3imf h TRP 171 Ca -0.09 0.00 -0.04 0.00 0.95 0.00 0.00 58.89 59.71 3imf h TRP 171 Cb 0.69 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.97 3imf h TRP 171 CO -0.03 0.52 0.14 0.78 -1.05 0.00 0.00 178.44 178.80 3imf h GLY 172 N 3.53 0.78 0.56 1.49 0.00 -1.26 0.51 103.07 108.67 3imf h GLY 172 Ca -0.03 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 3imf h GLY 172 CO 0.06 0.44 -0.19 -0.09 0.00 0.00 0.00 176.54 176.76 3imf h ARG 173 N 0.61 0.21 0.06 4.80 2.43 -1.35 -2.03 114.38 119.12 3imf h ARG 173 Ca 0.15 -0.17 -0.26 0.00 -0.81 0.00 0.00 59.98 58.89 3imf h ARG 173 Cb 0.28 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3imf h ARG 173 CO -0.00 0.81 -1.30 -0.22 -1.51 0.00 0.00 179.97 177.75 3imf h LYS 174 N -0.34 0.14 0.00 0.20 3.64 -1.27 -3.40 116.57 115.53 3imf h LYS 174 Ca -0.01 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 3imf h LYS 174 Cb 0.84 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3imf h LYS 174 CO 0.04 1.02 0.00 0.66 -2.27 0.00 0.00 179.45 178.90 3imf n TYR 175 N -3.38 0.00 -1.26 1.91 4.01 -0.27 -5.02 117.16 113.14 3imf n TYR 175 Ca -0.09 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.56 3imf n TYR 175 Cb 1.00 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 40.00 3imf n TYR 175 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3imf n GLY 176 N 0.32 1.06 3.69 2.72 0.00 0.01 -4.65 105.19 108.34 3imf n GLY 176 Ca 0.00 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 3imf n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3imf s ILE 177 N -2.33 4.89 -0.06 -0.61 1.01 -0.79 -4.54 121.20 118.76 3imf s ILE 177 Ca 0.00 1.77 -0.16 0.00 0.00 0.00 0.00 60.65 62.27 3imf s ILE 177 Cb 0.00 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 3imf s ILE 177 CO 0.00 0.09 0.41 -0.13 0.00 0.00 0.00 174.94 175.31 3imf s ARG 178 N 1.66 4.11 -0.08 2.79 0.52 -0.62 -2.79 118.95 124.54 3imf s ARG 178 Ca 0.43 0.38 0.00 0.00 -0.52 0.00 0.00 55.73 56.02 3imf s ARG 178 Cb -0.18 -3.32 0.02 0.00 0.52 0.00 0.00 34.95 31.99 3imf s ARG 178 CO 0.18 0.45 -0.06 0.08 0.02 0.00 0.00 175.30 175.97 3imf s VAL 179 N -0.29 0.78 0.22 3.52 1.01 -1.26 -0.57 120.40 123.81 3imf s VAL 179 Ca 0.23 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.03 3imf s VAL 179 Cb -0.16 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 3imf s VAL 179 CO 0.11 0.31 0.17 0.20 0.00 0.00 0.00 175.10 175.89 3imf s ASN 180 N 1.46 0.37 0.17 3.32 0.01 -0.61 -0.20 114.94 119.46 3imf s ASN 180 Ca -0.01 -1.42 0.05 0.00 -0.71 0.00 0.00 52.86 50.76 3imf s ASN 180 Cb -0.13 0.42 -0.05 0.00 0.41 0.00 0.00 41.25 41.90 3imf s ASN 180 CO -0.04 -0.89 -0.10 0.00 -1.51 0.00 0.00 177.10 174.56 3imf s ALA 181 N -4.03 1.62 -0.05 0.60 0.00 0.18 -0.92 121.76 119.15 3imf s ALA 181 Ca 0.38 -1.56 0.04 0.00 0.00 0.00 0.00 51.96 50.82 3imf s ALA 181 Cb 0.06 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.25 3imf s ALA 181 CO 0.14 -0.08 -0.17 0.42 0.00 0.00 0.00 175.76 176.07 3imf s ILE 182 N -3.26 1.42 -0.32 0.00 1.01 -0.66 -4.22 121.20 115.18 3imf s ILE 182 Ca 0.19 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 60.18 3imf s ILE 182 Cb 0.02 -1.23 0.09 0.00 0.01 0.00 0.00 42.46 41.35 3imf s ILE 182 CO 0.03 0.41 0.00 0.00 0.00 0.00 0.00 174.94 175.38 3imf s ALA 183 N 0.12 2.80 0.32 9.38 0.00 -1.26 -0.35 121.76 132.76 3imf s ALA 183 Ca -0.06 -2.31 -0.07 0.00 0.00 0.00 0.00 51.96 49.53 3imf s ALA 183 Cb -0.12 -1.85 -0.06 0.00 0.00 0.00 0.00 23.12 21.09 3imf s ALA 183 CO 0.03 -1.54 0.62 -1.25 0.00 0.00 0.00 175.76 173.62 3imf s PRO 184 N 0.96 3.70 0.00 0.00 0.05 -1.26 -4.35 135.00 134.10 3imf s PRO 184 Ca 0.05 0.18 0.00 0.00 0.05 0.00 0.00 61.00 61.28 3imf s PRO 184 Cb -0.19 -2.56 0.00 0.00 0.05 0.00 0.00 34.50 31.79 3imf s PRO 184 CO -0.07 0.15 0.00 0.41 0.05 0.00 0.00 177.00 177.54 3imf n GLY 185 N -0.96 1.22 3.68 0.56 0.00 -1.26 -4.44 105.19 103.99 3imf n GLY 185 Ca -0.00 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 3imf n GLY 185 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3imf s PRO 186 N 1.43 4.33 -0.05 1.61 0.04 -1.26 -4.94 135.00 136.16 3imf s PRO 186 Ca 0.00 1.72 0.06 0.00 0.04 0.00 0.00 61.00 62.82 3imf s PRO 186 Cb 0.00 -3.58 -0.02 0.00 0.04 0.00 0.00 34.50 30.94 3imf s PRO 186 CO 0.00 -0.50 -0.21 0.42 0.04 0.00 0.00 177.00 176.75 3imf s ILE 187 N 2.39 2.44 0.71 0.56 -1.09 -1.26 -1.16 121.20 123.80 3imf s ILE 187 Ca 0.57 -0.95 -0.13 0.00 -2.23 0.00 0.00 60.65 57.91 3imf s ILE 187 Cb -0.25 -1.91 0.03 0.00 -1.58 0.00 0.00 42.46 38.74 3imf s ILE 187 CO 0.22 0.58 1.11 -1.83 -1.23 0.00 0.00 174.94 173.78 3imf s GLU 188 N -0.47 2.53 -1.04 2.79 -1.05 0.08 -4.08 118.70 117.45 3imf s GLU 188 Ca 0.06 1.31 -0.03 0.00 -0.15 0.00 0.00 54.97 56.16 3imf s GLU 188 Cb -0.12 -1.92 -0.04 0.00 -0.44 0.00 0.00 34.13 31.62 3imf s GLU 188 CO 0.01 -1.45 0.89 0.54 0.95 0.00 0.00 175.26 176.20 3imf n ARG 189 N -2.91 -3.84 -3.84 -4.83 1.74 -1.26 -4.41 116.66 97.31 3imf n ARG 189 Ca 0.10 0.80 -0.12 0.00 -0.77 0.00 0.00 57.85 57.86 3imf n ARG 189 Cb 0.52 -5.59 -0.11 0.00 -1.02 0.00 0.00 32.46 26.27 3imf n ARG 189 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3imf s THR 190 N -3.35 0.05 0.00 0.55 2.01 -1.26 -4.46 115.64 109.17 3imf s THR 190 Ca 0.25 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.87 3imf s THR 190 Cb -0.03 -0.37 0.00 0.00 0.01 0.00 0.00 72.50 72.11 3imf s THR 190 CO 0.69 -0.21 0.00 0.61 -0.69 0.00 0.00 174.62 175.02 3imf n GLY 191 N 2.11 -1.33 0.00 4.40 0.00 -1.26 -5.07 105.19 104.04 3imf n GLY 191 Ca -0.18 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.25 3imf n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3imf n GLY 192 N 4.29 -0.55 2.69 -0.02 0.00 -1.26 -5.15 105.19 105.19 3imf n GLY 192 Ca 0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 3imf n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3imf n ALA 193 N 0.00 -1.01 0.40 4.61 0.00 -1.26 -4.96 120.51 118.29 3imf n ALA 193 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.47 3imf n ALA 193 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 17.97 3imf n ALA 193 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3imf n GLU 201 N -0.10 0.69 0.07 0.00 2.13 -1.26 -4.47 120.64 117.70 3imf n GLU 201 Ca -0.07 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.59 3imf n GLU 201 Cb 0.74 -1.16 -0.08 0.00 0.27 0.00 0.00 31.44 31.22 3imf n GLU 201 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3imf h ALA 203 N 1.98 0.24 0.00 4.31 0.00 -2.06 -3.42 119.26 120.31 3imf h ALA 203 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3imf h ALA 203 Cb 0.69 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3imf h ALA 203 CO 0.00 0.79 0.11 1.63 0.00 0.00 0.00 179.25 181.78 3imf n LYS 204 N -3.75 0.00 0.16 0.00 5.02 -1.26 0.47 118.16 118.79 3imf n LYS 204 Ca -0.09 0.06 0.03 0.00 -2.02 0.00 0.00 58.31 56.29 3imf n LYS 204 Cb 0.89 -1.61 0.16 0.00 -0.02 0.00 0.00 35.03 34.44 3imf n LYS 204 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3imf h ARG 205 N 0.00 0.00 0.00 1.97 2.43 -2.00 -3.06 114.38 113.72 3imf h ARG 205 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3imf h ARG 205 Cb 0.23 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3imf h ARG 205 CO 0.00 0.47 -1.21 0.25 -1.51 0.00 0.00 179.97 177.98 3imf n THR 206 N -3.36 0.18 -0.05 0.20 -2.24 0.17 -4.14 114.28 105.03 3imf n THR 206 Ca 0.01 -0.12 0.11 0.00 -2.27 0.00 0.00 64.05 61.77 3imf n THR 206 Cb 0.64 -0.66 0.50 0.00 -2.10 0.00 0.00 70.33 68.72 3imf n THR 206 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3imf h ILE 207 N 0.00 0.92 -0.16 2.28 2.04 -1.65 0.72 117.51 121.66 3imf h ILE 207 Ca -0.07 -0.14 -0.11 0.00 1.00 0.00 0.00 64.86 65.54 3imf h ILE 207 Cb 1.00 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3imf h ILE 207 CO 0.00 0.07 -0.39 -0.61 0.00 0.00 0.00 178.15 177.23 3imf h GLN 208 N 0.40 0.36 0.00 2.37 5.75 -1.75 -2.82 115.11 119.42 3imf h GLN 208 Ca 0.25 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.58 3imf h GLN 208 Cb 0.45 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.00 3imf h GLN 208 CO -0.06 0.69 0.00 -1.13 -2.65 0.00 0.00 178.83 175.68 3imf n SER 209 N -4.04 0.08 -4.61 -0.69 3.41 0.22 -4.61 113.62 103.38 3imf n SER 209 Ca -0.01 0.52 -0.38 0.00 -0.26 0.00 0.00 58.87 58.73 3imf n SER 209 Cb 0.48 -0.53 -0.10 0.00 -0.26 0.00 0.00 64.21 63.80 3imf n SER 209 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3imf s VAL 210 N -3.03 5.24 0.25 -3.33 1.01 -1.06 -4.55 120.40 114.92 3imf s VAL 210 Ca 0.07 0.41 -0.04 0.00 0.00 0.00 0.00 61.98 62.42 3imf s VAL 210 Cb 0.10 -3.62 0.24 0.00 0.00 0.00 0.00 36.38 33.09 3imf s VAL 210 CO 0.29 0.21 1.69 -0.65 0.00 0.00 0.00 175.10 176.64 3imf h PRO 211 N 8.12 0.28 0.00 2.72 0.11 -1.81 0.19 132.00 141.61 3imf h PRO 211 Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3imf h PRO 211 Cb 1.17 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3imf h PRO 211 CO 0.62 0.19 0.00 1.28 -0.21 0.00 0.00 178.00 179.88 3imf n LEU 212 N -5.14 0.00 -1.95 2.35 4.77 -1.17 -4.89 117.00 110.97 3imf n LEU 212 Ca 0.15 0.32 -0.16 0.00 -0.03 0.00 0.00 56.01 56.30 3imf n LEU 212 Cb 0.48 -0.32 0.01 0.00 -2.33 0.00 0.00 43.42 41.25 3imf n LEU 212 CO 0.13 -0.16 -0.12 0.61 -1.33 0.00 0.00 177.39 176.52 3imf n GLY 213 N 0.01 -0.23 3.84 -0.72 0.00 0.67 -4.98 105.19 103.79 3imf n GLY 213 Ca 0.07 -0.19 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 3imf n GLY 213 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3imf s ARG 214 N -5.01 1.92 0.36 1.61 1.70 -1.26 -4.91 118.95 113.37 3imf s ARG 214 Ca 0.09 -1.13 -0.08 0.00 -0.47 0.00 0.00 55.73 54.13 3imf s ARG 214 Cb -0.04 0.61 -0.06 0.00 -0.57 0.00 0.00 34.95 34.89 3imf s ARG 214 CO 0.11 -0.89 0.69 -0.51 -1.08 0.00 0.00 175.30 173.62 3imf s LEU 215 N -2.98 3.91 0.85 -1.89 1.43 -1.26 -4.93 118.68 113.82 3imf s LEU 215 Ca 0.13 0.97 -0.13 0.00 -1.03 0.00 0.00 54.13 54.07 3imf s LEU 215 Cb -0.06 -3.83 0.12 0.00 0.03 0.00 0.00 46.19 42.46 3imf s LEU 215 CO 0.08 -0.33 1.21 -0.83 0.23 0.00 0.00 176.35 176.71 3imf s GLY 216 N -3.19 1.67 0.17 -3.19 0.00 -0.31 -4.81 107.32 97.66 3imf s GLY 216 Ca 0.48 -0.91 0.10 0.00 0.00 0.00 0.00 44.72 44.40 3imf s GLY 216 CO 0.31 -0.32 -0.22 -0.51 0.00 0.00 0.00 173.10 172.36 3imf s THR 217 N -3.64 2.06 0.55 0.90 -4.23 -1.26 -0.74 115.64 109.27 3imf s THR 217 Ca 0.66 -1.90 0.22 0.00 -1.18 0.00 0.00 61.69 59.49 3imf s THR 217 Cb -0.08 -1.93 0.32 0.00 1.34 0.00 0.00 72.50 72.14 3imf s THR 217 CO 0.50 -0.16 2.14 -0.65 -0.54 0.00 0.00 174.62 175.90 3imf h PRO 218 N 3.40 0.00 -0.24 3.99 0.11 -1.95 -1.19 132.00 136.12 3imf h PRO 218 Ca -0.45 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.50 3imf h PRO 218 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3imf h PRO 218 CO 0.47 0.00 -0.50 0.93 -0.21 0.00 0.00 178.00 178.69 3imf h GLU 219 N 0.00 0.66 -0.38 1.05 3.07 -1.95 -0.57 114.58 116.46 3imf h GLU 219 Ca 0.05 -0.39 -0.06 0.00 -0.50 0.00 0.00 59.36 58.46 3imf h GLU 219 Cb 0.23 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 3imf h GLU 219 CO -0.00 1.01 -0.00 0.93 -1.40 0.00 0.00 179.01 179.54 3imf h GLU 220 N 0.52 0.67 -0.69 2.33 5.08 -1.66 -1.20 114.58 119.63 3imf h GLU 220 Ca 0.02 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3imf h GLU 220 Cb 1.05 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 3imf h GLU 220 CO 0.10 0.77 0.43 0.82 -1.00 0.00 0.00 179.01 180.13 3imf h ILE 221 N 0.49 1.19 -0.68 3.13 1.08 -1.28 -2.19 117.51 119.24 3imf h ILE 221 Ca 0.11 -0.41 -0.01 0.00 -0.39 0.00 0.00 64.86 64.16 3imf h ILE 221 Cb 0.47 0.22 -0.03 0.00 -3.07 0.00 0.00 36.82 34.41 3imf h ILE 221 CO 0.02 0.20 0.37 0.00 -0.69 0.00 0.00 178.15 178.05 3imf h ALA 222 N 1.23 1.37 -0.23 1.87 0.00 -0.93 -1.27 119.26 121.29 3imf h ALA 222 Ca 0.25 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3imf h ALA 222 Cb -0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3imf h ALA 222 CO -0.05 0.52 -0.08 0.78 0.00 0.00 0.00 179.25 180.42 3imf h GLY 223 N 1.01 0.39 0.84 0.00 0.00 -0.74 0.05 103.07 104.62 3imf h GLY 223 Ca 0.24 -0.24 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 3imf h GLY 223 CO -0.04 0.22 -0.44 -2.00 0.00 0.00 0.00 176.54 174.28 3imf h LEU 224 N 0.35 0.58 -0.62 3.11 5.85 -0.74 -1.25 115.31 122.59 3imf h LEU 224 Ca 0.07 -0.62 0.03 0.00 0.84 0.00 0.00 57.88 58.19 3imf h LEU 224 Cb 0.37 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3imf h LEU 224 CO 0.02 1.11 0.38 0.00 -0.34 0.00 0.00 178.44 179.61 3imf h ALA 225 N 0.49 0.80 -0.33 1.25 0.00 -1.05 -0.35 119.26 120.06 3imf h ALA 225 Ca -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3imf h ALA 225 Cb 1.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3imf h ALA 225 CO 0.09 0.13 0.12 -0.92 0.00 0.00 0.00 179.25 178.67 3imf h TYR 226 N 0.76 0.53 -0.37 0.00 3.20 -0.95 -1.96 116.97 118.17 3imf h TYR 226 Ca 0.25 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 62.10 3imf h TYR 226 Cb 0.01 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.09 3imf h TYR 226 CO -0.05 0.51 0.18 -0.92 -1.64 0.00 0.00 178.16 176.24 3imf h TYR 227 N 0.39 0.33 -0.03 -3.82 3.20 -0.84 -2.09 116.97 114.12 3imf h TYR 227 Ca 0.11 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.00 3imf h TYR 227 Cb 0.22 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 3imf h TYR 227 CO 0.00 0.17 0.02 -0.07 -1.64 0.00 0.00 178.16 176.65 3imf h LEU 228 N 0.37 0.00 -0.24 2.82 3.38 -0.81 -0.62 115.31 120.21 3imf h LEU 228 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3imf h LEU 228 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3imf h LEU 228 CO -0.11 0.00 -0.29 0.00 0.09 0.00 0.00 178.44 178.13 3imf s SER 230 N -2.70 5.44 0.35 0.00 1.04 -0.24 -4.96 113.70 112.63 3imf s SER 230 Ca 0.20 1.50 0.03 0.00 0.48 0.00 0.00 55.95 58.16 3imf s SER 230 Cb 0.19 -2.39 0.66 0.00 0.10 0.00 0.00 66.02 64.58 3imf s SER 230 CO 0.57 -1.39 2.00 0.44 0.98 0.00 0.00 173.24 175.84 3imf h ASP 231 N -0.68 0.67 0.64 7.02 3.32 -1.93 -1.99 116.42 123.46 3imf h ASP 231 Ca -0.44 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3imf h ASP 231 Cb 1.22 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.60 3imf h ASP 231 CO 0.59 0.51 0.00 -0.33 -1.72 0.00 0.00 179.24 178.29 3imf h GLU 232 N 0.77 0.00 -0.68 3.56 3.07 -1.93 -2.07 114.58 117.30 3imf h GLU 232 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 3imf h GLU 232 Cb -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 3imf h GLU 232 CO -0.04 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.57 3imf n ALA 233 N -1.88 2.90 0.33 3.43 0.00 -0.75 -4.65 120.51 119.89 3imf n ALA 233 Ca 0.01 -1.48 0.20 0.00 0.00 0.00 0.00 53.44 52.16 3imf n ALA 233 Cb 0.21 -1.01 1.07 0.00 0.00 0.00 0.00 19.45 19.72 3imf n ALA 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3imf h ALA 234 N 4.21 1.18 -0.02 0.00 0.00 -1.40 -1.31 119.26 121.92 3imf h ALA 234 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3imf h ALA 234 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3imf h ALA 234 CO 0.17 -0.11 -0.20 0.98 0.00 0.00 0.00 179.25 180.08 3imf n TYR 235 N -3.12 0.00 -2.78 0.00 9.36 -1.26 -4.84 117.16 114.52 3imf n TYR 235 Ca -0.02 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.77 3imf n TYR 235 Cb 0.18 -0.03 -0.03 0.00 -0.63 0.00 0.00 39.34 38.82 3imf n TYR 235 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3imf s ILE 236 N -2.27 4.79 -0.24 2.97 1.01 -0.50 -5.00 121.20 121.97 3imf s ILE 236 Ca 0.27 1.84 -0.16 0.00 0.00 0.00 0.00 60.65 62.60 3imf s ILE 236 Cb 0.20 -4.23 0.07 0.00 0.01 0.00 0.00 42.46 38.51 3imf s ILE 236 CO 0.44 -0.05 0.60 0.21 0.00 0.00 0.00 174.94 176.14 3imf s ASN 237 N 1.18 -0.76 -0.44 3.58 2.47 -1.26 -4.77 114.94 114.94 3imf s ASN 237 Ca 0.42 1.29 0.00 0.00 0.42 0.00 0.00 52.86 54.98 3imf s ASN 237 Cb -0.16 1.19 0.00 0.00 -1.45 0.00 0.00 41.25 40.83 3imf s ASN 237 CO 0.11 -0.22 0.00 0.61 -3.72 0.00 0.00 177.10 173.88 3imf n GLY 238 N 3.92 0.59 3.66 1.21 0.00 0.72 -4.98 105.19 110.31 3imf n GLY 238 Ca -0.19 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.75 3imf n GLY 238 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3imf s THR 239 N -2.18 2.52 0.00 2.61 -4.23 -1.26 -4.71 115.64 108.40 3imf s THR 239 Ca 0.00 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 3imf s THR 239 Cb 0.00 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.96 3imf s THR 239 CO 0.00 -0.13 0.00 0.00 -0.54 0.00 0.00 174.62 173.95 3imf n THR 242 N -0.04 0.00 0.00 0.00 -1.04 -1.26 -4.91 114.28 107.03 3imf n THR 242 Ca 0.00 -0.53 0.00 0.00 -2.04 0.00 0.00 64.05 61.48 3imf n THR 242 Cb 0.00 0.58 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 3imf n THR 242 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3imf n ASP 244 N -1.23 0.00 0.00 8.00 5.75 -1.26 -4.94 116.55 122.87 3imf n ASP 244 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.74 3imf n ASP 244 Cb 0.37 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 3imf n ASP 244 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3imf n GLY 245 N 0.00 0.05 0.44 6.12 0.00 -1.26 -1.56 105.19 108.98 3imf n GLY 245 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3imf n GLY 245 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3imf n GLY 246 N 0.57 0.89 0.33 -0.02 0.00 -1.26 -3.05 105.19 102.65 3imf n GLY 246 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3imf n GLY 246 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3imf h GLN 247 N 3.35 0.94 0.00 1.61 4.15 -1.53 -2.73 115.11 120.91 3imf h GLN 247 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3imf h GLN 247 Cb 0.00 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.48 3imf h GLN 247 CO 0.00 0.62 0.00 -2.39 -1.93 0.00 0.00 178.83 175.13 3imf n HIS 248 N -4.63 0.05 -1.89 3.99 1.44 -1.26 -4.79 115.22 108.13 3imf n HIS 248 Ca 0.14 0.02 -0.31 0.00 -2.01 0.00 0.00 57.72 55.57 3imf n HIS 248 Cb 0.24 -0.53 0.02 0.00 0.12 0.00 0.00 29.99 29.83 3imf n HIS 248 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3imf s LEU 249 N -3.09 3.17 0.20 2.39 1.43 -1.03 -4.99 118.68 116.76 3imf s LEU 249 Ca 0.09 1.35 -0.31 0.00 -1.03 0.00 0.00 54.13 54.23 3imf s LEU 249 Cb 0.12 -4.35 -0.11 0.00 0.03 0.00 0.00 46.19 41.89 3imf s LEU 249 CO 0.35 -0.96 1.60 -1.00 0.23 0.00 0.00 176.35 176.58 3imf s HIS 250 N -3.21 2.98 -0.49 0.29 3.76 -1.26 -4.90 115.29 112.45 3imf s HIS 250 Ca 0.56 0.61 0.22 0.00 -0.15 0.00 0.00 55.06 56.29 3imf s HIS 250 Cb -0.11 -3.99 -0.12 0.00 1.11 0.00 0.00 32.58 29.46 3imf s HIS 250 CO 0.53 -3.62 0.84 1.04 -0.85 0.00 0.00 174.74 172.69 3imf n GLN 251 N 3.58 0.36 -4.01 1.40 1.13 -1.26 -4.96 117.38 113.62 3imf n GLN 251 Ca 0.13 -0.05 -0.09 0.00 -1.94 0.00 0.00 57.00 55.05 3imf n GLN 251 Cb 0.38 -1.57 -0.09 0.00 0.11 0.00 0.00 30.24 29.07 3imf n GLN 251 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3imf s TYR 252 N -3.27 0.46 -2.87 1.08 2.02 -1.26 -5.19 117.35 108.33 3imf s TYR 252 Ca 0.01 -0.91 0.25 0.00 -0.37 0.00 0.00 57.07 56.05 3imf s TYR 252 Cb 0.14 -0.25 0.42 0.00 -0.40 0.00 0.00 41.96 41.87 3imf s TYR 252 CO 0.85 -0.52 1.39 -0.35 -1.57 0.00 0.00 175.55 175.35