#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnf s GLU 2 N 0.00 2.49 -0.31 2.12 2.12 -1.26 -5.10 118.70 118.76 2pnf s GLU 2 Ca 0.00 -0.73 -0.07 0.00 0.36 0.00 0.00 54.97 54.52 2pnf s GLU 2 Cb 0.00 -2.34 0.01 0.00 0.26 0.00 0.00 34.13 32.06 2pnf s GLU 2 CO 0.00 0.59 0.10 0.42 -0.54 0.00 0.00 175.26 175.83 2pnf s ILE 3 N -0.65 4.07 -0.02 -3.70 1.01 -1.26 -5.03 121.20 115.62 2pnf s ILE 3 Ca 0.10 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 60.07 2pnf s ILE 3 Cb -0.11 -3.14 -0.01 0.00 0.01 0.00 0.00 42.46 39.22 2pnf s ILE 3 CO 0.01 0.02 -0.15 -0.75 0.00 0.00 0.00 174.94 174.07 2pnf s LYS 4 N 1.51 1.31 -0.09 2.79 2.20 -1.26 -4.80 119.74 121.39 2pnf s LYS 4 Ca 0.02 -0.52 0.13 0.00 -0.36 0.00 0.00 55.97 55.24 2pnf s LYS 4 Cb -0.18 -1.23 0.20 0.00 -1.51 0.00 0.00 37.83 35.12 2pnf s LYS 4 CO 0.03 0.28 1.09 1.28 -0.36 0.00 0.00 175.35 177.67 2pnf n LEU 5 N 2.87 2.02 -4.70 5.43 4.77 0.11 -5.00 117.00 122.51 2pnf n LEU 5 Ca -0.16 -2.61 -0.44 0.00 -0.03 0.00 0.00 56.01 52.77 2pnf n LEU 5 Cb 0.54 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2pnf n LEU 5 CO 0.24 0.61 1.15 0.00 -1.33 0.00 0.00 177.39 178.07 2pnf n GLN 6 N -1.09 2.32 0.00 3.23 6.02 -1.23 -0.90 117.38 125.73 2pnf n GLN 6 Ca 0.11 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.93 2pnf n GLN 6 Cb 0.56 -2.56 0.00 0.00 1.02 0.00 0.00 30.24 29.26 2pnf n GLN 6 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pnf n GLY 7 N 2.61 1.22 3.93 1.08 0.00 -1.26 -5.00 105.19 107.77 2pnf n GLY 7 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 2pnf n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pnf s LYS 8 N -0.76 3.53 -0.14 1.61 -0.14 -0.07 -4.97 119.74 118.80 2pnf s LYS 8 Ca 0.00 -0.29 0.02 0.00 -1.36 0.00 0.00 55.97 54.34 2pnf s LYS 8 Cb 0.00 -2.75 0.01 0.00 -1.68 0.00 0.00 37.83 33.41 2pnf s LYS 8 CO 0.00 0.29 -0.20 0.08 -0.76 0.00 0.00 175.35 174.77 2pnf s VAL 9 N -2.05 1.89 -0.13 3.17 1.01 -1.26 -1.07 120.40 121.96 2pnf s VAL 9 Ca 0.40 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.51 2pnf s VAL 9 Cb -0.10 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 2pnf s VAL 9 CO 0.31 0.52 -0.15 -0.44 0.00 0.00 0.00 175.10 175.33 2pnf s SER 10 N 0.93 3.81 -0.23 3.32 0.01 -0.17 -1.21 113.70 120.17 2pnf s SER 10 Ca -0.05 -0.38 -0.08 0.00 1.31 0.00 0.00 55.95 56.75 2pnf s SER 10 Cb -0.15 -1.57 -0.04 0.00 0.21 0.00 0.00 66.02 64.48 2pnf s SER 10 CO -0.03 0.16 0.08 -0.22 0.41 0.00 0.00 173.24 173.64 2pnf s LEU 11 N 0.37 3.65 -0.22 2.44 2.96 0.37 -0.87 118.68 127.39 2pnf s LEU 11 Ca -0.12 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.73 2pnf s LEU 11 Cb -0.16 -1.96 0.05 0.00 0.50 0.00 0.00 46.19 44.61 2pnf s LEU 11 CO 0.06 0.05 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.34 2pnf s VAL 12 N 1.13 1.87 0.39 1.68 1.01 -0.73 -0.40 120.40 125.35 2pnf s VAL 12 Ca 0.05 -1.24 -0.21 0.00 0.00 0.00 0.00 61.98 60.57 2pnf s VAL 12 Cb -0.14 -1.94 -0.10 0.00 0.00 0.00 0.00 36.38 34.19 2pnf s VAL 12 CO 0.04 0.12 0.91 0.42 0.00 0.00 0.00 175.10 176.59 2pnf s THR 13 N 1.28 4.40 -1.15 3.92 -4.23 -0.91 -3.44 115.64 115.51 2pnf s THR 13 Ca -0.04 1.48 -0.01 0.00 -1.18 0.00 0.00 61.69 61.95 2pnf s THR 13 Cb -0.17 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 69.97 2pnf s THR 13 CO -0.08 -0.19 0.96 0.61 -0.54 0.00 0.00 174.62 175.39 2pnf n GLY 14 N -0.31 -0.33 0.83 3.99 0.00 -1.13 -2.61 105.19 105.63 2pnf n GLY 14 Ca 0.05 0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.21 2pnf n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pnf n SER 15 N -3.00 3.28 0.06 1.61 3.41 -0.72 -4.17 113.62 114.10 2pnf n SER 15 Ca -0.25 -3.23 0.13 0.00 -0.26 0.00 0.00 58.87 55.26 2pnf n SER 15 Cb 0.65 -0.55 0.48 0.00 -0.26 0.00 0.00 64.21 64.53 2pnf n SER 15 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2pnf n THR 16 N -0.81 0.37 -3.84 6.66 -2.24 -1.25 -3.33 114.28 109.83 2pnf n THR 16 Ca 0.24 -0.18 -0.06 0.00 -2.27 0.00 0.00 64.05 61.78 2pnf n THR 16 Cb 0.89 -0.54 0.02 0.00 -2.10 0.00 0.00 70.33 68.60 2pnf n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pnf s ARG 17 N -3.06 1.78 5.23 -0.78 1.70 -1.26 -4.86 118.95 117.70 2pnf s ARG 17 Ca 0.12 -1.13 0.00 0.00 -0.47 0.00 0.00 55.73 54.25 2pnf s ARG 17 Cb 0.15 0.50 0.00 0.00 -0.57 0.00 0.00 34.95 35.03 2pnf s ARG 17 CO 0.58 -0.83 0.00 0.41 -1.08 0.00 0.00 175.30 174.37 2pnf n GLY 18 N -0.60 2.31 0.33 3.88 0.00 -1.26 -2.07 105.19 107.78 2pnf n GLY 18 Ca -0.06 -0.44 -0.04 0.00 0.00 0.00 0.00 46.02 45.48 2pnf n GLY 18 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2pnf h ILE 19 N 0.00 1.24 -0.43 -0.61 2.04 -1.92 -2.07 117.51 115.77 2pnf h ILE 19 Ca 0.00 -0.75 0.03 0.00 1.00 0.00 0.00 64.86 65.14 2pnf h ILE 19 Cb 0.00 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 2pnf h ILE 19 CO 0.00 0.31 0.23 1.23 0.00 0.00 0.00 178.15 179.92 2pnf h GLY 20 N 1.10 0.60 1.02 5.37 0.00 -1.70 0.14 103.07 109.60 2pnf h GLY 20 Ca 0.25 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.32 2pnf h GLY 20 CO -0.02 0.13 0.00 -0.09 0.00 0.00 0.00 176.54 176.56 2pnf h ARG 21 N 0.47 0.90 -0.94 4.80 2.43 -1.11 -1.47 114.38 119.46 2pnf h ARG 21 Ca 0.18 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2pnf h ARG 21 Cb 0.05 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 2pnf h ARG 21 CO -0.10 0.93 0.55 0.00 -1.51 0.00 0.00 179.97 179.84 2pnf h ALA 22 N 0.94 1.20 -0.13 2.80 0.00 -0.81 -0.46 119.26 122.81 2pnf h ALA 22 Ca 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2pnf h ALA 22 Cb 0.52 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2pnf h ALA 22 CO 0.03 0.67 0.06 0.82 0.00 0.00 0.00 179.25 180.82 2pnf h ILE 23 N 1.30 1.13 -0.80 0.00 2.04 -0.47 -0.45 117.51 120.26 2pnf h ILE 23 Ca 0.34 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.83 2pnf h ILE 23 Cb -0.03 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 2pnf h ILE 23 CO -0.06 0.12 0.53 0.00 0.00 0.00 0.00 178.15 178.73 2pnf h ALA 24 N 0.92 1.03 -0.50 1.87 0.00 -0.91 -0.95 119.26 120.72 2pnf h ALA 24 Ca 0.04 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2pnf h ALA 24 Cb 0.14 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2pnf h ALA 24 CO -0.00 0.40 -0.02 0.93 0.00 0.00 0.00 179.25 180.55 2pnf h GLU 25 N 1.06 0.85 -0.29 0.00 5.08 -0.96 -0.73 114.58 119.59 2pnf h GLU 25 Ca 0.30 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2pnf h GLU 25 Cb -0.08 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 2pnf h GLU 25 CO -0.08 0.86 0.02 -0.22 -1.00 0.00 0.00 179.01 178.59 2pnf h LYS 26 N 0.79 0.51 -0.76 2.33 1.63 -0.45 0.13 116.57 120.74 2pnf h LYS 26 Ca 0.15 -0.15 -0.06 0.00 -0.85 0.00 0.00 60.65 59.74 2pnf h LYS 26 Cb 0.50 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.04 2pnf h LYS 26 CO 0.02 0.64 0.26 -0.07 -3.45 0.00 0.00 179.45 176.86 2pnf h LEU 27 N 0.31 1.09 -1.08 5.20 3.38 -1.08 -2.13 115.31 121.00 2pnf h LEU 27 Ca 0.09 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 2pnf h LEU 27 Cb 0.40 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2pnf h LEU 27 CO 0.01 0.99 0.14 0.00 0.09 0.00 0.00 178.44 179.67 2pnf h ALA 28 N 1.15 1.25 0.00 1.53 0.00 -0.82 -1.01 119.26 121.37 2pnf h ALA 28 Ca 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2pnf h ALA 28 Cb 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2pnf h ALA 28 CO -0.01 0.52 0.00 0.66 0.00 0.00 0.00 179.25 180.42 2pnf h SER 29 N 0.77 0.00 -0.14 0.00 4.64 -0.09 -0.14 113.55 118.59 2pnf h SER 29 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2pnf h SER 29 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2pnf h SER 29 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2pnf n ALA 30 N -1.96 2.49 -0.07 5.18 0.00 -0.83 -4.93 120.51 120.39 2pnf n ALA 30 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2pnf n ALA 30 Cb 0.23 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2pnf n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pnf n GLY 31 N 1.29 0.69 3.78 0.00 0.00 -0.06 0.06 105.19 110.93 2pnf n GLY 31 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2pnf n GLY 31 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pnf s SER 32 N -2.65 6.57 0.31 1.61 0.15 -0.44 -3.58 113.70 115.67 2pnf s SER 32 Ca 0.00 2.19 -0.28 0.00 0.70 0.00 0.00 55.95 58.55 2pnf s SER 32 Cb 0.00 -2.60 -0.09 0.00 -1.71 0.00 0.00 66.02 61.62 2pnf s SER 32 CO 0.00 -0.63 1.13 -0.89 1.20 0.00 0.00 173.24 174.05 2pnf s THR 33 N -1.55 3.36 0.08 6.45 2.01 -0.23 -4.26 115.64 121.49 2pnf s THR 33 Ca 0.59 1.31 0.07 0.00 0.31 0.00 0.00 61.69 63.97 2pnf s THR 33 Cb -0.26 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.41 2pnf s THR 33 CO 0.32 0.27 -0.19 0.68 -0.69 0.00 0.00 174.62 175.02 2pnf s VAL 34 N -1.23 1.53 -0.19 3.82 -7.23 -0.87 -1.00 120.40 115.23 2pnf s VAL 34 Ca 0.48 -1.37 0.01 0.00 -1.81 0.00 0.00 61.98 59.28 2pnf s VAL 34 Cb -0.32 -1.39 0.02 0.00 0.56 0.00 0.00 36.38 35.26 2pnf s VAL 34 CO 0.41 -0.03 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.35 2pnf s ILE 35 N -1.08 2.11 -0.15 -0.62 1.01 -0.04 -1.57 121.20 120.86 2pnf s ILE 35 Ca 0.05 -0.97 -0.08 0.00 0.00 0.00 0.00 60.65 59.64 2pnf s ILE 35 Cb -0.10 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 2pnf s ILE 35 CO 0.03 0.50 0.13 -0.63 0.00 0.00 0.00 174.94 174.97 2pnf s ILE 36 N 1.28 5.45 0.10 2.92 -1.09 0.17 -1.78 121.20 128.26 2pnf s ILE 36 Ca 0.04 0.19 0.07 0.00 -2.23 0.00 0.00 60.65 58.72 2pnf s ILE 36 Cb -0.13 -3.41 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 2pnf s ILE 36 CO -0.12 0.55 -0.17 0.42 -1.23 0.00 0.00 174.94 174.39 2pnf s THR 37 N -0.52 1.45 0.23 2.92 -4.23 -1.22 -0.75 115.64 113.52 2pnf s THR 37 Ca 0.12 -1.56 -0.22 0.00 -1.18 0.00 0.00 61.69 58.85 2pnf s THR 37 Cb -0.12 -1.44 0.04 0.00 1.34 0.00 0.00 72.50 72.33 2pnf s THR 37 CO 0.02 -0.23 0.71 -0.83 -0.54 0.00 0.00 174.62 173.75 2pnf s GLY 38 N -2.08 -0.25 0.48 3.99 0.00 -1.13 -1.75 107.32 106.58 2pnf s GLY 38 Ca 0.06 -0.02 0.32 0.00 0.00 0.00 0.00 44.72 45.08 2pnf s GLY 38 CO 0.04 -0.00 1.95 -0.91 0.00 0.00 0.00 173.10 174.17 2pnf h THR 39 N 2.00 0.00 -3.67 0.90 1.35 -1.91 -0.12 112.91 111.47 2pnf h THR 39 Ca -0.24 -0.35 -0.69 0.00 -0.55 0.00 0.00 66.41 64.59 2pnf h THR 39 Cb 1.26 1.25 -0.29 0.00 -1.73 0.00 0.00 68.15 68.64 2pnf h THR 39 CO 0.27 0.00 -0.63 -0.55 -0.25 0.00 0.00 175.52 174.36 2pnf s SER 40 N -5.16 5.14 0.40 5.36 0.15 -1.26 -4.69 113.70 113.64 2pnf s SER 40 Ca 0.01 -1.07 0.07 0.00 0.70 0.00 0.00 55.95 55.65 2pnf s SER 40 Cb 0.09 -1.83 0.81 0.00 -1.71 0.00 0.00 66.02 63.38 2pnf s SER 40 CO 0.47 -0.28 2.03 1.23 1.20 0.00 0.00 173.24 177.88 2pnf h GLY 41 N 8.17 0.58 1.01 9.45 0.00 -1.85 -0.76 103.07 119.66 2pnf h GLY 41 Ca -0.25 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 2pnf h GLY 41 CO 0.59 0.23 0.11 -2.09 0.00 0.00 0.00 176.54 175.38 2pnf h GLU 42 N 0.55 0.91 -0.44 4.80 4.81 -1.95 -0.29 114.58 122.97 2pnf h GLU 42 Ca 0.14 -0.23 -0.09 0.00 -0.13 0.00 0.00 59.36 59.05 2pnf h GLU 42 Cb 0.01 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2pnf h GLU 42 CO -0.02 0.86 -0.08 -0.09 -0.73 0.00 0.00 179.01 178.94 2pnf h ARG 43 N 0.80 0.83 -0.62 1.92 9.65 -1.79 -1.69 114.38 123.48 2pnf h ARG 43 Ca 0.17 -0.31 -0.05 0.00 -1.10 0.00 0.00 59.98 58.70 2pnf h ARG 43 Cb 0.38 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.88 2pnf h ARG 43 CO 0.01 0.93 0.20 0.00 2.80 0.00 0.00 179.97 183.91 2pnf h ALA 44 N 0.87 0.81 -0.15 2.80 0.00 -0.92 -1.11 119.26 121.56 2pnf h ALA 44 Ca 0.11 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 2pnf h ALA 44 Cb 0.61 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2pnf h ALA 44 CO 0.04 0.47 -0.37 0.87 0.00 0.00 0.00 179.25 180.25 2pnf h LYS 45 N 0.88 0.31 -0.26 0.00 1.57 -0.96 -0.20 116.57 117.91 2pnf h LYS 45 Ca 0.20 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 2pnf h LYS 45 Cb 0.28 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2pnf h LYS 45 CO -0.01 0.65 -0.06 0.00 -0.57 0.00 0.00 179.45 179.45 2pnf h ALA 46 N 1.35 0.35 -0.63 3.86 0.00 -1.00 -1.61 119.26 121.58 2pnf h ALA 46 Ca 0.03 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 2pnf h ALA 46 Cb 0.78 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2pnf h ALA 46 CO 0.06 0.16 0.11 0.28 0.00 0.00 0.00 179.25 179.86 2pnf h VAL 47 N 0.24 1.26 -0.96 0.00 2.07 -1.06 -1.36 116.25 116.45 2pnf h VAL 47 Ca 0.06 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.61 2pnf h VAL 47 Cb 0.53 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 2pnf h VAL 47 CO 0.03 0.37 0.63 0.00 0.02 0.00 0.00 177.57 178.62 2pnf h ALA 48 N 1.03 1.24 -0.56 1.67 0.00 -0.91 -1.19 119.26 120.54 2pnf h ALA 48 Ca 0.19 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2pnf h ALA 48 Cb 0.42 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2pnf h ALA 48 CO 0.01 0.57 0.12 1.49 0.00 0.00 0.00 179.25 181.44 2pnf h GLU 49 N 1.26 0.90 -0.58 0.00 4.81 -0.71 0.57 114.58 120.84 2pnf h GLU 49 Ca 0.36 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2pnf h GLU 49 Cb -0.09 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 2pnf h GLU 49 CO -0.10 0.85 0.28 0.93 -0.73 0.00 0.00 179.01 180.25 2pnf h GLU 50 N 0.80 0.83 -0.61 1.92 5.08 -0.70 -0.61 114.58 121.30 2pnf h GLU 50 Ca 0.17 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 2pnf h GLU 50 Cb 0.36 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2pnf h GLU 50 CO 0.00 0.67 0.12 0.82 -1.00 0.00 0.00 179.01 179.63 2pnf h ILE 51 N 0.79 1.26 -0.71 3.13 2.04 -1.04 -1.15 117.51 121.83 2pnf h ILE 51 Ca 0.20 -0.96 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 2pnf h ILE 51 Cb 0.11 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2pnf h ILE 51 CO -0.03 0.36 0.30 0.00 0.00 0.00 0.00 178.15 178.78 2pnf h ALA 52 N 1.03 1.18 -0.15 1.87 0.00 -0.46 -1.53 119.26 121.20 2pnf h ALA 52 Ca 0.19 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 2pnf h ALA 52 Cb 0.39 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2pnf h ALA 52 CO 0.01 0.60 -0.62 -0.91 0.00 0.00 0.00 179.25 178.33 2pnf h ASN 53 N 1.03 0.59 -0.23 0.00 2.35 -0.87 0.18 115.58 118.63 2pnf h ASN 53 Ca 0.24 -0.34 -0.20 0.00 -0.55 0.00 0.00 56.30 55.45 2pnf h ASN 53 Cb 0.17 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2pnf h ASN 53 CO -0.02 1.07 -0.65 0.50 -1.65 0.00 0.00 177.43 176.67 2pnf h LYS 54 N 0.38 0.85 0.00 0.81 3.64 -0.97 -3.36 116.57 117.92 2pnf h LYS 54 Ca -0.01 -0.60 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 2pnf h LYS 54 Cb 1.18 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2pnf h LYS 54 CO 0.11 1.22 -0.92 0.66 -2.27 0.00 0.00 179.45 178.26 2pnf n TYR 55 N -3.98 0.00 -1.23 1.91 4.01 -0.60 -5.01 117.16 112.27 2pnf n TYR 55 Ca -0.06 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.66 2pnf n TYR 55 Cb 0.68 -0.10 -0.01 0.00 -0.31 0.00 0.00 39.34 39.61 2pnf n TYR 55 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pnf n GLY 56 N 1.46 0.49 3.98 2.72 0.00 0.62 -4.99 105.19 109.48 2pnf n GLY 56 Ca 0.01 -0.96 -0.19 0.00 0.00 0.00 0.00 46.02 44.87 2pnf n GLY 56 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pnf s VAL 57 N -2.08 4.16 -0.10 1.61 -7.23 -1.22 -5.03 120.40 110.51 2pnf s VAL 57 Ca 0.00 -1.01 -0.30 0.00 -1.81 0.00 0.00 61.98 58.86 2pnf s VAL 57 Cb 0.00 -3.44 -0.02 0.00 0.56 0.00 0.00 36.38 33.47 2pnf s VAL 57 CO 0.00 -0.17 1.21 -0.75 -0.31 0.00 0.00 175.10 175.07 2pnf s LYS 58 N -4.15 4.31 0.01 4.82 2.20 -1.26 -4.45 119.74 121.22 2pnf s LYS 58 Ca 0.44 1.64 0.00 0.00 -0.36 0.00 0.00 55.97 57.69 2pnf s LYS 58 Cb -0.09 -3.63 -0.01 0.00 -1.51 0.00 0.00 37.83 32.58 2pnf s LYS 58 CO 0.31 -0.54 -0.02 0.00 -0.36 0.00 0.00 175.35 174.74 2pnf s ALA 59 N 2.68 0.12 0.02 3.13 0.00 -1.26 -2.05 121.76 124.39 2pnf s ALA 59 Ca 0.55 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.11 2pnf s ALA 59 Cb -0.23 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 2pnf s ALA 59 CO 0.19 -0.10 -0.07 -1.01 0.00 0.00 0.00 175.76 174.77 2pnf s HIS 60 N -0.99 0.59 -0.03 0.00 3.76 -0.61 -4.84 115.29 113.18 2pnf s HIS 60 Ca -0.11 -0.29 0.07 0.00 -0.15 0.00 0.00 55.06 54.58 2pnf s HIS 60 Cb -0.07 -0.37 -0.02 0.00 1.11 0.00 0.00 32.58 33.24 2pnf s HIS 60 CO -0.01 -0.04 -0.23 0.20 -0.85 0.00 0.00 174.74 173.82 2pnf s GLY 61 N -0.83 1.34 0.02 -2.22 0.00 -1.26 -0.66 107.32 103.71 2pnf s GLY 61 Ca -0.04 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.61 2pnf s GLY 61 CO 0.00 -0.86 -0.03 -1.34 0.00 0.00 0.00 173.10 170.87 2pnf s VAL 62 N -0.60 0.16 0.06 1.40 -7.23 0.07 -4.46 120.40 109.80 2pnf s VAL 62 Ca 0.09 -0.82 -0.29 0.00 -1.81 0.00 0.00 61.98 59.15 2pnf s VAL 62 Cb -0.10 -0.28 -0.05 0.00 0.56 0.00 0.00 36.38 36.51 2pnf s VAL 62 CO -0.00 -0.42 0.94 -0.70 -0.31 0.00 0.00 175.10 174.61 2pnf s GLU 63 N -1.29 4.63 -0.20 4.82 2.12 -1.26 -2.83 118.70 124.69 2pnf s GLU 63 Ca -0.13 1.39 -0.04 0.00 0.36 0.00 0.00 54.97 56.54 2pnf s GLU 63 Cb -0.09 -3.40 0.10 0.00 0.26 0.00 0.00 34.13 31.00 2pnf s GLU 63 CO -0.01 0.13 0.31 1.41 -0.54 0.00 0.00 175.26 176.57 2pnf s MET 64 N 0.33 0.25 -0.33 4.30 1.75 -0.06 -4.49 119.30 121.05 2pnf s MET 64 Ca 0.47 0.53 -0.09 0.00 -1.25 0.00 0.00 55.69 55.36 2pnf s MET 64 Cb -0.22 -0.52 0.01 0.00 2.84 0.00 0.00 34.83 36.94 2pnf s MET 64 CO 0.28 -0.53 0.15 1.21 -0.65 0.00 0.00 175.02 175.49 2pnf s ASN 65 N 2.46 5.50 0.29 1.11 3.84 -1.26 -4.03 114.94 122.85 2pnf s ASN 65 Ca 0.07 -0.81 0.23 0.00 0.21 0.00 0.00 52.86 52.56 2pnf s ASN 65 Cb -0.14 -1.97 1.07 0.00 -0.55 0.00 0.00 41.25 39.66 2pnf s ASN 65 CO -0.13 -0.28 1.70 0.18 -2.79 0.00 0.00 177.10 175.78 2pnf n LEU 66 N 4.94 0.64 0.20 3.21 4.32 -1.26 -1.03 117.00 128.02 2pnf n LEU 66 Ca -0.13 0.71 0.08 0.00 -0.02 0.00 0.00 56.01 56.65 2pnf n LEU 66 Cb 0.47 -0.69 0.29 0.00 -1.62 0.00 0.00 43.42 41.87 2pnf n LEU 66 CO 0.34 -0.74 0.70 0.25 -1.22 0.00 0.00 177.39 176.73 2pnf h LEU 67 N 0.00 0.00 -8.33 2.23 5.85 -1.91 -3.38 115.31 109.77 2pnf h LEU 67 Ca 0.00 0.00 -0.67 0.00 0.84 0.00 0.00 57.88 58.05 2pnf h LEU 67 Cb 0.21 0.00 -0.28 0.00 0.37 0.00 0.00 40.66 40.96 2pnf h LEU 67 CO 0.00 0.27 -0.66 -0.55 -0.34 0.00 0.00 178.44 177.17 2pnf s SER 68 N -6.26 4.89 0.44 1.25 0.15 -0.20 -4.98 113.70 109.00 2pnf s SER 68 Ca 0.03 -0.73 0.10 0.00 0.70 0.00 0.00 55.95 56.04 2pnf s SER 68 Cb 0.09 -1.82 0.96 0.00 -1.71 0.00 0.00 66.02 63.54 2pnf s SER 68 CO 0.67 -0.17 2.07 -0.08 1.20 0.00 0.00 173.24 176.94 2pnf h GLU 69 N 8.17 0.38 -0.29 5.44 4.81 -1.84 -1.47 114.58 129.78 2pnf h GLU 69 Ca -0.32 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.82 2pnf h GLU 69 Cb 1.12 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 2pnf h GLU 69 CO 0.59 0.27 -0.08 0.93 -0.73 0.00 0.00 179.01 179.99 2pnf h GLU 70 N 0.39 0.56 -0.17 1.92 3.07 -1.93 -1.14 114.58 117.28 2pnf h GLU 70 Ca 0.10 -0.22 0.03 0.00 -0.50 0.00 0.00 59.36 58.77 2pnf h GLU 70 Cb -0.02 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.84 2pnf h GLU 70 CO -0.02 0.77 -0.00 1.03 -1.40 0.00 0.00 179.01 179.38 2pnf h SER 71 N 0.32 -0.07 -0.00 1.42 0.87 -1.70 -0.82 113.55 113.57 2pnf h SER 71 Ca 0.07 0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.70 2pnf h SER 71 Cb 0.57 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.56 2pnf h SER 71 CO 0.03 -0.01 -0.20 0.40 -0.53 0.00 0.00 176.83 176.51 2pnf h ILE 72 N 0.05 0.52 -0.97 2.23 2.04 -1.15 0.35 117.51 120.58 2pnf h ILE 72 Ca 0.08 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.00 2pnf h ILE 72 Cb 0.10 0.52 -0.07 0.00 -0.74 0.00 0.00 36.82 36.63 2pnf h ILE 72 CO -0.14 0.00 0.62 0.78 0.00 0.00 0.00 178.15 179.41 2pnf h ASN 73 N -0.32 1.00 -0.24 1.72 2.35 -0.90 -0.87 115.58 118.31 2pnf h ASN 73 Ca 0.06 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.73 2pnf h ASN 73 Cb 0.40 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 2pnf h ASN 73 CO -0.19 0.64 -0.13 0.11 -1.65 0.00 0.00 177.43 176.21 2pnf h LYS 74 N 1.14 0.65 -0.33 0.81 1.57 -0.68 -0.84 116.57 118.89 2pnf h LYS 74 Ca 0.42 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.93 2pnf h LYS 74 Cb 0.15 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2pnf h LYS 74 CO -0.17 0.76 -0.02 0.00 -0.57 0.00 0.00 179.45 179.46 2pnf h ALA 75 N 1.27 0.44 0.00 3.86 0.00 -0.16 -2.41 119.26 122.26 2pnf h ALA 75 Ca 0.10 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2pnf h ALA 75 Cb 0.57 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2pnf h ALA 75 CO 0.04 0.22 -0.39 0.74 0.00 0.00 0.00 179.25 179.85 2pnf h PHE 76 N 0.39 0.00 -0.52 0.00 0.04 -0.96 0.50 116.94 116.39 2pnf h PHE 76 Ca 0.09 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.79 2pnf h PHE 76 Cb 0.48 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.61 2pnf h PHE 76 CO 0.04 0.39 0.05 1.49 -0.60 0.00 0.00 178.31 179.68 2pnf h GLU 77 N 0.00 0.88 -0.23 1.51 4.81 -0.98 -0.97 114.58 119.60 2pnf h GLU 77 Ca -0.00 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 58.95 2pnf h GLU 77 Cb 0.72 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2pnf h GLU 77 CO 0.05 0.88 0.06 1.49 -0.73 0.00 0.00 179.01 180.76 2pnf h GLU 78 N 0.75 0.36 -0.38 1.92 4.81 -0.90 -3.00 114.58 118.14 2pnf h GLU 78 Ca 0.15 -0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 2pnf h GLU 78 Cb 0.45 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.73 2pnf h GLU 78 CO 0.02 0.47 0.06 0.82 -0.73 0.00 0.00 179.01 179.64 2pnf h ILE 79 N 0.19 0.78 0.00 2.32 2.04 -0.69 -1.28 117.51 120.87 2pnf h ILE 79 Ca 0.07 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.87 2pnf h ILE 79 Cb 0.27 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 2pnf h ILE 79 CO 0.00 0.03 0.00 -1.22 0.00 0.00 0.00 178.15 176.96 2pnf n TYR 80 N -5.12 0.00 1.08 1.37 4.01 -0.39 -0.99 117.16 117.12 2pnf n TYR 80 Ca 0.02 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.88 2pnf n TYR 80 Cb 0.18 -0.27 0.11 0.00 -0.31 0.00 0.00 39.34 39.05 2pnf n TYR 80 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2pnf n ASN 81 N -1.27 1.69 -0.01 7.72 3.02 -0.51 -4.27 115.26 121.62 2pnf n ASN 81 Ca 0.09 -1.30 0.01 0.00 -0.03 0.00 0.00 54.58 53.34 2pnf n ASN 81 Cb 0.14 0.39 -0.04 0.00 -0.61 0.00 0.00 39.78 39.66 2pnf n ASN 81 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2pnf n LEU 82 N -0.27 0.00 -4.02 3.41 4.77 -0.16 -5.04 117.00 115.69 2pnf n LEU 82 Ca 0.10 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.98 2pnf n LEU 82 Cb 0.43 0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.45 2pnf n LEU 82 CO 0.28 0.04 -0.37 0.54 -1.33 0.00 0.00 177.39 176.55 2pnf s VAL 83 N -2.29 0.27 0.37 4.08 0.11 -0.18 -5.02 120.40 117.73 2pnf s VAL 83 Ca -0.02 -1.06 0.07 0.00 -2.93 0.00 0.00 61.98 58.04 2pnf s VAL 83 Cb 0.03 -0.50 0.17 0.00 -1.53 0.00 0.00 36.38 34.54 2pnf s VAL 83 CO 0.22 -0.51 1.91 -0.78 -3.33 0.00 0.00 175.10 172.61 2pnf h ASP 84 N 4.44 0.37 0.00 3.54 3.58 -1.86 -3.40 116.42 123.10 2pnf h ASP 84 Ca -0.33 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.05 2pnf h ASP 84 Cb 1.20 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.15 2pnf h ASP 84 CO 0.43 0.46 0.00 0.61 -2.88 0.00 0.00 179.24 177.86 2pnf n GLY 85 N -0.94 -0.72 3.52 -0.78 0.00 -1.26 -4.94 105.19 100.06 2pnf n GLY 85 Ca 0.01 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 2pnf n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pnf s ILE 86 N -2.00 4.07 -0.20 -0.61 1.01 -1.26 -4.70 121.20 117.52 2pnf s ILE 86 Ca 0.00 -0.29 0.15 0.00 0.00 0.00 0.00 60.65 60.51 2pnf s ILE 86 Cb 0.00 -2.80 -0.24 0.00 0.01 0.00 0.00 42.46 39.43 2pnf s ILE 86 CO 0.00 0.48 0.07 0.47 0.00 0.00 0.00 174.94 175.96 2pnf n ASP 87 N 3.58 0.40 -3.97 3.58 8.00 -0.35 -3.81 116.55 123.98 2pnf n ASP 87 Ca -0.17 0.01 -0.22 0.00 0.71 0.00 0.00 54.79 55.11 2pnf n ASP 87 Cb 0.52 0.68 -0.16 0.00 -0.02 0.00 0.00 41.12 42.14 2pnf n ASP 87 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pnf s ILE 88 N -2.50 0.87 -0.10 0.53 1.01 -0.65 -2.10 121.20 118.25 2pnf s ILE 88 Ca -0.14 -0.33 0.03 0.00 0.00 0.00 0.00 60.65 60.21 2pnf s ILE 88 Cb 0.07 -0.82 0.01 0.00 0.01 0.00 0.00 42.46 41.73 2pnf s ILE 88 CO 0.79 0.29 -0.18 -0.22 0.00 0.00 0.00 174.94 175.62 2pnf s LEU 89 N 0.71 1.87 -0.26 2.97 2.96 -0.36 -0.48 118.68 126.10 2pnf s LEU 89 Ca -0.13 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.30 2pnf s LEU 89 Cb -0.15 -1.19 0.03 0.00 0.50 0.00 0.00 46.19 45.39 2pnf s LEU 89 CO 0.02 0.07 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.37 2pnf s VAL 90 N 0.73 2.78 -0.98 1.68 1.01 0.47 -0.62 120.40 125.48 2pnf s VAL 90 Ca -0.11 -1.17 -0.18 0.00 0.00 0.00 0.00 61.98 60.51 2pnf s VAL 90 Cb -0.16 -2.47 0.13 0.00 0.00 0.00 0.00 36.38 33.88 2pnf s VAL 90 CO 0.02 0.12 1.20 0.20 0.00 0.00 0.00 175.10 176.64 2pnf s ASN 91 N 1.28 6.67 -0.15 3.32 0.01 0.43 -2.14 114.94 124.37 2pnf s ASN 91 Ca -0.02 -2.11 0.15 0.00 -0.71 0.00 0.00 52.86 50.17 2pnf s ASN 91 Cb -0.18 -2.42 -0.22 0.00 0.41 0.00 0.00 41.25 38.85 2pnf s ASN 91 CO -0.04 -1.07 0.10 -3.20 -1.51 0.00 0.00 177.10 171.38 2pnf n ASN 92 N 6.67 0.88 -4.76 -1.22 5.15 -1.25 -1.56 115.26 119.16 2pnf n ASN 92 Ca 0.27 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.83 2pnf n ASN 92 Cb 0.48 1.03 -0.01 0.00 -0.53 0.00 0.00 39.78 40.76 2pnf n ASN 92 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pnf n ALA 93 N -2.56 2.52 -3.58 5.20 0.00 -1.07 -4.90 120.51 116.12 2pnf n ALA 93 Ca -0.24 0.35 -0.06 0.00 0.00 0.00 0.00 53.44 53.50 2pnf n ALA 93 Cb 0.97 -2.45 -0.02 0.00 0.00 0.00 0.00 19.45 17.95 2pnf n ALA 93 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2pnf s GLY 94 N 0.17 -0.31 0.23 0.00 0.00 -1.26 -4.78 107.32 101.37 2pnf s GLY 94 Ca 0.58 1.58 0.02 0.00 0.00 0.00 0.00 44.72 46.90 2pnf s GLY 94 CO 0.57 0.56 0.03 -0.26 0.00 0.00 0.00 173.10 174.00 2pnf s ILE 95 N -2.39 0.80 0.13 0.90 -4.36 -1.26 -5.05 121.20 109.96 2pnf s ILE 95 Ca 0.07 -2.01 0.08 0.00 -0.26 0.00 0.00 60.65 58.53 2pnf s ILE 95 Cb -0.01 -2.38 -0.04 0.00 1.25 0.00 0.00 42.46 41.28 2pnf s ILE 95 CO -0.05 -0.26 -0.18 0.42 0.24 0.00 0.00 174.94 175.11 2pnf s THR 96 N -3.58 1.62 -0.43 8.37 -4.23 -1.26 -4.92 115.64 111.21 2pnf s THR 96 Ca 0.30 -1.69 0.06 0.00 -1.18 0.00 0.00 61.69 59.18 2pnf s THR 96 Cb 0.07 -1.61 0.21 0.00 1.34 0.00 0.00 72.50 72.50 2pnf s THR 96 CO 0.09 -0.24 0.54 0.54 -0.54 0.00 0.00 174.62 175.02 2pnf n ARG 97 N 0.70 0.50 -2.19 3.99 5.12 -1.26 -5.05 116.66 118.48 2pnf n ARG 97 Ca -0.17 -2.79 -0.42 0.00 -1.93 0.00 0.00 57.85 52.54 2pnf n ARG 97 Cb 0.56 -1.46 -0.03 0.00 -1.16 0.00 0.00 32.46 30.37 2pnf n ARG 97 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2pnf s ASP 98 N -0.47 6.84 -0.13 0.55 1.01 -1.26 -4.91 116.67 118.29 2pnf s ASP 98 Ca 0.33 2.27 -0.28 0.00 0.71 0.00 0.00 52.55 55.58 2pnf s ASP 98 Cb 0.10 -2.58 0.07 0.00 1.01 0.00 0.00 42.92 41.52 2pnf s ASP 98 CO -0.15 -0.66 0.68 -0.54 0.21 0.00 0.00 175.17 174.70 2pnf s LYS 99 N 1.42 0.96 0.53 8.23 -0.14 -0.41 -5.04 119.74 125.29 2pnf s LYS 99 Ca 0.64 0.52 -0.21 0.00 -1.36 0.00 0.00 55.97 55.56 2pnf s LYS 99 Cb -0.35 0.46 -0.06 0.00 -1.68 0.00 0.00 37.83 36.20 2pnf s LYS 99 CO 0.29 -0.24 1.22 -0.51 -0.76 0.00 0.00 175.35 175.36 2pnf s LEU 100 N -0.61 3.85 0.24 3.17 1.43 -1.26 -4.25 118.68 121.26 2pnf s LEU 100 Ca -0.07 2.43 -0.05 0.00 -1.03 0.00 0.00 54.13 55.41 2pnf s LEU 100 Cb -0.02 -4.38 0.43 0.00 0.03 0.00 0.00 46.19 42.25 2pnf s LEU 100 CO 0.06 -1.30 1.74 0.15 0.23 0.00 0.00 176.35 177.24 2pnf h PHE 101 N 1.50 0.52 0.00 0.29 3.57 -1.97 0.26 116.94 121.12 2pnf h PHE 101 Ca -0.50 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.03 2pnf h PHE 101 Cb 1.28 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.90 2pnf h PHE 101 CO 0.49 0.09 0.00 1.28 -2.23 0.00 0.00 178.31 177.94 2pnf n LEU 102 N -4.98 0.59 -0.59 0.59 4.77 -1.26 -1.68 117.00 114.43 2pnf n LEU 102 Ca 0.13 0.68 0.05 0.00 -0.03 0.00 0.00 56.01 56.85 2pnf n LEU 102 Cb 0.38 -0.65 0.13 0.00 -2.33 0.00 0.00 43.42 40.96 2pnf n LEU 102 CO 0.19 -0.67 0.60 0.54 -1.33 0.00 0.00 177.39 176.72 2pnf n ARG 103 N -2.19 2.55 -3.00 3.23 5.12 0.84 -5.02 116.66 118.20 2pnf n ARG 103 Ca 0.01 -1.91 -0.40 0.00 -1.93 0.00 0.00 57.85 53.61 2pnf n ARG 103 Cb 0.16 -1.25 -0.05 0.00 -1.16 0.00 0.00 32.46 30.16 2pnf n ARG 103 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 2pnf s MET 104 N -0.99 4.37 0.55 5.56 1.75 -0.67 -4.80 119.30 125.08 2pnf s MET 104 Ca 0.21 0.91 -0.07 0.00 -1.25 0.00 0.00 55.69 55.49 2pnf s MET 104 Cb 0.11 -3.50 -0.02 0.00 2.84 0.00 0.00 34.83 34.26 2pnf s MET 104 CO 0.15 -0.09 0.88 -1.54 -0.65 0.00 0.00 175.02 173.76 2pnf s SER 105 N 0.96 5.98 0.30 1.11 1.04 -1.26 -4.93 113.70 116.90 2pnf s SER 105 Ca 0.37 0.93 -0.01 0.00 0.48 0.00 0.00 55.95 57.72 2pnf s SER 105 Cb -0.17 -2.07 0.47 0.00 0.10 0.00 0.00 66.02 64.35 2pnf s SER 105 CO 0.16 -0.83 1.95 0.25 0.98 0.00 0.00 173.24 175.75 2pnf h LEU 106 N -0.04 0.94 -0.69 2.42 5.85 -1.99 -1.45 115.31 120.34 2pnf h LEU 106 Ca -0.46 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.12 2pnf h LEU 106 Cb 1.22 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 2pnf h LEU 106 CO 0.61 0.65 -0.39 0.25 -0.34 0.00 0.00 178.44 179.22 2pnf h LEU 107 N 1.09 0.59 -1.07 2.25 5.85 -1.97 0.37 115.31 122.41 2pnf h LEU 107 Ca 0.34 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.85 2pnf h LEU 107 Cb -0.00 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 2pnf h LEU 107 CO -0.10 0.92 0.62 0.44 -0.34 0.00 0.00 178.44 179.99 2pnf h ASP 108 N 0.46 1.02 0.06 1.25 3.32 -1.67 -0.81 116.42 120.05 2pnf h ASP 108 Ca 0.04 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 2pnf h ASP 108 Cb 0.89 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.21 2pnf h ASP 108 CO 0.08 0.68 -0.03 -0.25 -1.72 0.00 0.00 179.24 178.00 2pnf h TRP 109 N 1.17 -0.08 -0.32 4.55 2.91 -0.92 -3.31 115.95 119.95 2pnf h TRP 109 Ca 0.39 -0.00 -0.07 0.00 1.13 0.00 0.00 58.89 60.34 2pnf h TRP 109 Cb 0.07 0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 28.72 2pnf h TRP 109 CO -0.00 0.51 -0.08 0.93 -1.03 0.00 0.00 178.44 178.76 2pnf h GLU 110 N -0.87 0.54 -0.47 2.65 5.08 -0.14 -2.25 114.58 119.12 2pnf h GLU 110 Ca -0.01 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 2pnf h GLU 110 Cb 0.62 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2pnf h GLU 110 CO 0.01 0.63 0.03 1.49 -1.00 0.00 0.00 179.01 180.18 2pnf h GLU 111 N 0.50 0.80 -0.47 2.33 4.81 -1.32 0.77 114.58 122.00 2pnf h GLU 111 Ca 0.10 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 2pnf h GLU 111 Cb 0.46 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 2pnf h GLU 111 CO 0.02 0.84 0.18 0.28 -0.73 0.00 0.00 179.01 179.60 2pnf h VAL 112 N 0.66 1.21 -0.41 0.32 2.07 -1.59 -1.41 116.25 117.10 2pnf h VAL 112 Ca 0.14 -0.66 -0.12 0.00 0.82 0.00 0.00 66.70 66.87 2pnf h VAL 112 Cb 0.45 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2pnf h VAL 112 CO 0.02 0.25 -0.23 -0.07 0.02 0.00 0.00 177.57 177.55 2pnf h LEU 113 N 0.62 0.85 -0.76 2.57 4.07 -1.28 -1.09 115.31 120.30 2pnf h LEU 113 Ca 0.16 -0.31 -0.08 0.00 0.08 0.00 0.00 57.88 57.72 2pnf h LEU 113 Cb 0.21 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.69 2pnf h LEU 113 CO -0.01 1.05 0.02 0.50 -1.08 0.00 0.00 178.44 178.92 2pnf h LYS 114 N 0.72 0.97 0.07 1.13 3.64 -0.58 -1.03 116.57 121.48 2pnf h LYS 114 Ca 0.10 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2pnf h LYS 114 Cb 0.76 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2pnf h LYS 114 CO 0.06 0.94 -0.04 0.28 -2.27 0.00 0.00 179.45 178.43 2pnf h VAL 115 N 0.89 0.78 -0.17 2.00 2.07 -1.28 0.18 116.25 120.72 2pnf h VAL 115 Ca 0.17 -1.40 -0.12 0.00 0.82 0.00 0.00 66.70 66.17 2pnf h VAL 115 Cb 0.49 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2pnf h VAL 115 CO 0.02 0.24 -0.40 0.78 0.02 0.00 0.00 177.57 178.24 2pnf h ASN 116 N -0.96 0.41 0.00 0.57 4.21 -1.21 -2.71 115.58 115.88 2pnf h ASN 116 Ca -0.01 -0.17 -0.16 0.00 1.21 0.00 0.00 56.30 57.17 2pnf h ASN 116 Cb 0.48 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.54 2pnf h ASN 116 CO 0.02 0.77 -1.41 0.18 -1.29 0.00 0.00 177.43 175.70 2pnf n LEU 117 N -4.03 1.65 -0.12 1.61 4.77 -0.43 -4.20 117.00 116.25 2pnf n LEU 117 Ca -0.01 0.28 -0.12 0.00 -0.03 0.00 0.00 56.01 56.12 2pnf n LEU 117 Cb 0.49 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2pnf n LEU 117 CO 0.43 -0.01 0.59 0.74 -1.33 0.00 0.00 177.39 177.81 2pnf h THR 118 N -0.78 1.27 -0.51 -5.08 2.02 -1.36 0.37 112.91 108.85 2pnf h THR 118 Ca -0.24 -1.51 -0.03 0.00 0.77 0.00 0.00 66.41 65.40 2pnf h THR 118 Cb 1.09 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 2pnf h THR 118 CO -0.15 0.51 0.19 1.23 0.37 0.00 0.00 175.52 177.67 2pnf h GLY 119 N 0.83 0.83 0.98 2.16 0.00 -0.31 -1.18 103.07 106.39 2pnf h GLY 119 Ca 0.07 -0.46 0.01 0.00 0.00 0.00 0.00 47.33 46.95 2pnf h GLY 119 CO 0.09 0.43 0.46 -0.84 0.00 0.00 0.00 176.54 176.68 2pnf h THR 120 N 0.69 1.17 0.11 4.70 2.02 -1.49 -1.12 112.91 118.98 2pnf h THR 120 Ca 0.17 -0.32 0.02 0.00 0.77 0.00 0.00 66.41 67.04 2pnf h THR 120 Cb 0.22 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 2pnf h THR 120 CO -0.01 0.17 -0.25 0.15 0.37 0.00 0.00 175.52 175.95 2pnf h PHE 121 N 0.94 -0.66 -0.71 3.16 3.57 -0.37 -1.65 116.94 121.23 2pnf h PHE 121 Ca 0.26 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.75 2pnf h PHE 121 Cb -0.09 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 2pnf h PHE 121 CO -0.03 -0.35 0.31 -0.07 -2.23 0.00 0.00 178.31 175.95 2pnf h LEU 122 N -0.45 0.95 -0.81 0.59 3.38 -1.06 -0.59 115.31 117.32 2pnf h LEU 122 Ca 0.03 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 2pnf h LEU 122 Cb 0.47 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 2pnf h LEU 122 CO -0.15 0.84 0.32 0.58 0.09 0.00 0.00 178.44 180.12 2pnf h VAL 123 N 1.00 1.26 -0.06 1.22 2.07 -1.13 -2.24 116.25 118.36 2pnf h VAL 123 Ca 0.24 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 2pnf h VAL 123 Cb 0.16 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2pnf h VAL 123 CO -0.03 0.34 -0.03 0.74 0.02 0.00 0.00 177.57 178.62 2pnf h THR 124 N 1.17 1.32 -0.95 2.57 2.02 -0.99 -2.28 112.91 115.76 2pnf h THR 124 Ca 0.27 -1.00 0.16 0.00 0.77 0.00 0.00 66.41 66.60 2pnf h THR 124 Cb 0.22 1.86 -0.08 0.00 -1.74 0.00 0.00 68.15 68.40 2pnf h THR 124 CO -0.02 0.27 0.60 1.56 0.37 0.00 0.00 175.52 178.30 2pnf h GLN 125 N -0.24 0.73 0.00 6.66 4.20 -0.96 -1.31 115.11 124.19 2pnf h GLN 125 Ca 0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2pnf h GLN 125 Cb 0.45 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2pnf h GLN 125 CO 0.01 0.48 0.00 0.09 -0.67 0.00 0.00 178.83 178.74 2pnf n ASN 126 N -4.61 0.58 -0.51 1.46 3.02 -0.86 -3.73 115.26 110.61 2pnf n ASN 126 Ca 0.19 0.57 0.10 0.00 -0.03 0.00 0.00 54.58 55.41 2pnf n ASN 126 Cb 0.49 -0.72 0.02 0.00 -0.61 0.00 0.00 39.78 38.95 2pnf n ASN 126 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2pnf n SER 127 N -2.07 2.00 0.16 6.41 7.64 -0.50 -4.65 113.62 122.60 2pnf n SER 127 Ca 0.05 -1.50 0.04 0.00 1.01 0.00 0.00 58.87 58.47 2pnf n SER 127 Cb 0.36 0.37 0.10 0.00 -1.01 0.00 0.00 64.21 64.04 2pnf n SER 127 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2pnf h LEU 128 N 2.50 0.00 -0.86 -3.43 3.38 -1.61 -3.41 115.31 111.88 2pnf h LEU 128 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 2pnf h LEU 128 Cb 0.69 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.33 2pnf h LEU 128 CO 0.00 0.44 -0.57 -0.09 0.09 0.00 0.00 178.44 178.31 2pnf h ARG 129 N 0.00 -0.09 -0.38 1.13 2.43 -1.84 -0.55 114.38 115.08 2pnf h ARG 129 Ca -0.00 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 2pnf h ARG 129 Cb 1.26 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 2pnf h ARG 129 CO 0.06 -0.06 -0.20 -0.22 -1.51 0.00 0.00 179.97 178.04 2pnf h LYS 130 N -0.09 0.73 -0.23 0.20 3.64 -1.78 -2.38 116.57 116.65 2pnf h LYS 130 Ca 0.15 -0.28 0.02 0.00 -1.27 0.00 0.00 60.65 59.27 2pnf h LYS 130 Cb 0.46 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2pnf h LYS 130 CO -0.86 0.87 0.10 0.52 -2.27 0.00 0.00 179.45 177.82 2pnf h MET 131 N 0.65 0.22 -0.13 1.90 2.86 -1.39 -1.89 114.93 117.15 2pnf h MET 131 Ca 0.10 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 2pnf h MET 131 Cb 0.69 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 2pnf h MET 131 CO 0.05 0.15 0.03 0.82 1.06 0.00 0.00 176.91 179.02 2pnf h ILE 132 N 0.23 1.19 -0.83 -1.22 2.04 -1.08 -1.12 117.51 116.72 2pnf h ILE 132 Ca 0.09 -0.60 0.02 0.00 1.00 0.00 0.00 64.86 65.38 2pnf h ILE 132 Cb 0.03 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 2pnf h ILE 132 CO -0.07 0.18 0.55 0.50 0.00 0.00 0.00 178.15 179.30 2pnf h LYS 133 N 0.01 1.07 -0.01 2.37 3.64 -1.33 -2.72 116.57 119.59 2pnf h LYS 133 Ca 0.04 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2pnf h LYS 133 Cb 0.24 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2pnf h LYS 133 CO -0.00 0.71 -0.26 0.00 -2.27 0.00 0.00 179.45 177.63 2pnf n GLN 134 N -4.42 1.17 -3.58 1.90 10.64 -0.72 -4.97 117.38 117.41 2pnf n GLN 134 Ca 0.10 -0.81 -0.22 0.00 -1.83 0.00 0.00 57.00 54.24 2pnf n GLN 134 Cb 0.05 -1.48 0.08 0.00 -0.86 0.00 0.00 30.24 28.02 2pnf n GLN 134 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2pnf n ARG 135 N -0.21 -7.19 -3.64 2.61 1.74 -0.47 -4.99 116.66 104.51 2pnf n ARG 135 Ca 0.12 0.81 -0.06 0.00 -0.77 0.00 0.00 57.85 57.96 2pnf n ARG 135 Cb 0.40 -5.81 -0.07 0.00 -1.02 0.00 0.00 32.46 25.96 2pnf n ARG 135 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 2pnf s TRP 136 N -3.35 -0.95 -0.21 -1.55 -0.00 -0.92 -4.65 118.94 107.32 2pnf s TRP 136 Ca 0.37 1.89 -0.32 0.00 -0.00 0.00 0.00 56.10 58.04 2pnf s TRP 136 Cb -0.17 0.57 0.15 0.00 -0.00 0.00 0.00 33.47 34.02 2pnf s TRP 136 CO 0.74 -0.47 1.20 0.20 -0.00 0.00 0.00 176.95 178.62 2pnf s GLY 137 N 1.61 -0.19 -0.04 5.86 0.00 -1.21 -4.29 107.32 109.06 2pnf s GLY 137 Ca -0.10 2.00 -0.00 0.00 0.00 0.00 0.00 44.72 46.63 2pnf s GLY 137 CO -0.19 0.78 0.01 0.50 0.00 0.00 0.00 173.10 174.20 2pnf s ARG 138 N -1.81 0.33 -0.15 2.90 1.81 -0.89 -1.16 118.95 119.99 2pnf s ARG 138 Ca 0.07 0.11 0.02 0.00 -1.72 0.00 0.00 55.73 54.21 2pnf s ARG 138 Cb -0.01 -0.58 0.01 0.00 -0.45 0.00 0.00 34.95 33.92 2pnf s ARG 138 CO -0.04 -0.18 -0.21 0.42 -0.68 0.00 0.00 175.30 174.61 2pnf s ILE 139 N 1.30 2.02 -0.14 1.52 1.01 0.06 -1.23 121.20 125.74 2pnf s ILE 139 Ca -0.06 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.67 2pnf s ILE 139 Cb -0.13 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.55 2pnf s ILE 139 CO -0.02 0.54 -0.21 -0.69 0.00 0.00 0.00 174.94 174.56 2pnf s VAL 140 N 0.99 2.00 -0.19 2.92 1.01 0.21 -1.51 120.40 125.82 2pnf s VAL 140 Ca -0.03 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 2pnf s VAL 140 Cb -0.15 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 2pnf s VAL 140 CO -0.06 0.54 0.08 0.20 0.00 0.00 0.00 175.10 175.86 2pnf s ASN 141 N 0.91 5.67 -0.41 3.32 0.01 -0.15 -0.43 114.94 123.85 2pnf s ASN 141 Ca -0.05 0.07 -0.21 0.00 -0.71 0.00 0.00 52.86 51.96 2pnf s ASN 141 Cb -0.15 -1.98 0.02 0.00 0.41 0.00 0.00 41.25 39.55 2pnf s ASN 141 CO -0.04 0.15 0.66 -0.63 -1.51 0.00 0.00 177.10 175.73 2pnf s ILE 142 N 0.54 4.82 0.00 0.60 -1.09 -0.60 -1.09 121.20 124.38 2pnf s ILE 142 Ca 0.04 0.31 0.00 0.00 -2.23 0.00 0.00 60.65 58.77 2pnf s ILE 142 Cb -0.13 -4.18 0.00 0.00 -1.58 0.00 0.00 42.46 36.57 2pnf s ILE 142 CO 0.01 -0.53 0.00 -0.24 -1.23 0.00 0.00 174.94 172.95 2pnf n SER 143 N 6.26 0.00 -3.60 3.58 2.88 0.22 -4.90 113.62 118.06 2pnf n SER 143 Ca -0.01 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.44 2pnf n SER 143 Cb 0.48 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.89 2pnf n SER 143 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2pnf s SER 144 N -1.00 -0.33 0.56 -3.46 0.15 -1.26 -4.35 113.70 104.00 2pnf s SER 144 Ca 0.00 0.45 0.29 0.00 0.70 0.00 0.00 55.95 57.38 2pnf s SER 144 Cb 0.00 0.39 1.47 0.00 -1.71 0.00 0.00 66.02 66.16 2pnf s SER 144 CO 0.00 -0.25 1.93 1.62 1.20 0.00 0.00 173.24 177.75 2pnf h VAL 145 N 2.76 0.52 0.00 4.45 3.04 -1.26 -0.17 116.25 125.59 2pnf h VAL 145 Ca -0.20 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 2pnf h VAL 145 Cb 1.17 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.09 2pnf h VAL 145 CO 0.25 0.00 0.00 1.33 -1.01 0.00 0.00 177.57 178.14 2pnf n VAL 146 N -4.05 0.75 0.35 1.51 0.24 -1.26 -0.81 118.33 115.05 2pnf n VAL 146 Ca 0.11 0.06 0.14 0.00 -2.04 0.00 0.00 64.34 62.61 2pnf n VAL 146 Cb 0.72 -0.98 0.56 0.00 -1.47 0.00 0.00 33.84 32.67 2pnf n VAL 146 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2pnf h GLY 147 N 2.97 0.00 0.06 7.63 0.00 -1.24 0.32 103.07 112.81 2pnf h GLY 147 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.94 2pnf h GLY 147 CO 0.00 0.00 -2.42 0.69 0.00 0.00 0.00 176.54 174.81 2pnf n PHE 148 N -2.63 0.11 0.01 5.60 3.72 0.01 -4.27 117.46 120.02 2pnf n PHE 148 Ca 0.02 0.03 0.03 0.00 -0.05 0.00 0.00 57.45 57.47 2pnf n PHE 148 Cb 0.28 -1.02 -0.10 0.00 -0.94 0.00 0.00 39.48 37.71 2pnf n PHE 148 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2pnf n THR 149 N -3.23 0.85 0.00 4.37 -2.24 -0.77 -5.09 114.28 108.17 2pnf n THR 149 Ca -0.43 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 60.70 2pnf n THR 149 Cb 1.01 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 2pnf n THR 149 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pnf n GLY 150 N 1.38 -1.88 3.63 3.38 0.00 0.10 -5.06 105.19 106.75 2pnf n GLY 150 Ca -0.10 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.28 2pnf n GLY 150 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2pnf s ASN 151 N -4.16 -0.83 0.32 1.61 2.47 -1.26 -4.82 114.94 108.27 2pnf s ASN 151 Ca 0.00 1.47 -0.29 0.00 0.42 0.00 0.00 52.86 54.46 2pnf s ASN 151 Cb 0.00 1.44 -0.11 0.00 -1.45 0.00 0.00 41.25 41.12 2pnf s ASN 151 CO 0.00 -0.25 1.57 -0.69 -3.72 0.00 0.00 177.10 174.01 2pnf s VAL 152 N 0.88 2.04 0.00 -5.21 1.01 -1.26 -1.85 120.40 116.02 2pnf s VAL 152 Ca -0.04 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2pnf s VAL 152 Cb -0.05 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2pnf s VAL 152 CO -0.07 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.64 2pnf n GLY 153 N 1.68 1.69 2.05 4.51 0.00 -1.26 -4.88 105.19 108.98 2pnf n GLY 153 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2pnf n GLY 153 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pnf n GLN 154 N -2.00 2.69 -0.24 1.61 6.02 -0.77 -1.28 117.38 123.41 2pnf n GLN 154 Ca 0.00 -3.78 -0.01 0.00 -0.01 0.00 0.00 57.00 53.20 2pnf n GLN 154 Cb 0.00 -1.91 0.21 0.00 1.02 0.00 0.00 30.24 29.56 2pnf n GLN 154 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2pnf h VAL 155 N 3.21 1.21 -0.00 5.09 2.07 -1.82 0.94 116.25 126.96 2pnf h VAL 155 Ca 0.16 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 2pnf h VAL 155 Cb 1.43 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2pnf h VAL 155 CO 0.48 0.22 -0.00 -0.55 0.02 0.00 0.00 177.57 177.74 2pnf h ASN 156 N 1.07 0.00 -0.31 0.57 -1.07 -1.92 -1.98 115.58 111.95 2pnf h ASN 156 Ca 0.28 -0.36 -0.03 0.00 0.07 0.00 0.00 56.30 56.27 2pnf h ASN 156 Cb -0.07 -0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.16 2pnf h ASN 156 CO -0.06 0.36 0.09 0.22 0.07 0.00 0.00 177.43 178.11 2pnf h TYR 157 N -0.35 0.51 -0.70 4.14 3.20 -1.86 -2.32 116.97 119.59 2pnf h TYR 157 Ca 0.00 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 2pnf h TYR 157 Cb 0.36 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 2pnf h TYR 157 CO 0.05 0.53 0.38 1.03 -1.64 0.00 0.00 178.16 178.52 2pnf h SER 158 N 0.35 0.87 -0.44 -2.11 0.87 -0.87 0.01 113.55 112.23 2pnf h SER 158 Ca 0.10 -0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.60 2pnf h SER 158 Cb 0.27 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 2pnf h SER 158 CO -0.00 0.70 0.28 0.74 -0.53 0.00 0.00 176.83 178.02 2pnf h THR 159 N 0.98 1.10 -0.41 2.23 2.02 -1.11 -0.95 112.91 116.77 2pnf h THR 159 Ca 0.25 -0.20 -0.12 0.00 0.77 0.00 0.00 66.41 67.11 2pnf h THR 159 Cb 0.02 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 2pnf h THR 159 CO -0.04 0.11 -0.23 0.71 0.37 0.00 0.00 175.52 176.43 2pnf h THR 160 N 0.58 1.27 -0.05 3.16 1.35 -0.74 0.10 112.91 118.58 2pnf h THR 160 Ca 0.16 -1.37 -0.12 0.00 -0.55 0.00 0.00 66.41 64.54 2pnf h THR 160 Cb -0.06 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 67.55 2pnf h THR 160 CO -0.04 0.46 -0.52 0.11 -0.25 0.00 0.00 175.52 175.28 2pnf h LYS 161 N 0.72 0.14 -0.18 4.72 1.79 -0.82 -0.58 116.57 122.36 2pnf h LYS 161 Ca 0.10 -0.08 -0.16 0.00 -2.18 0.00 0.00 60.65 58.32 2pnf h LYS 161 Cb 0.77 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 2pnf h LYS 161 CO 0.06 0.63 -0.52 0.00 -1.08 0.00 0.00 179.45 178.55 2pnf h ALA 162 N 1.35 0.30 -0.89 3.86 0.00 -1.09 -3.16 119.26 119.64 2pnf h ALA 162 Ca 0.00 -0.50 0.06 0.00 0.00 0.00 0.00 54.91 54.47 2pnf h ALA 162 Cb 0.96 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 2pnf h ALA 162 CO 0.08 0.49 0.58 0.78 0.00 0.00 0.00 179.25 181.18 2pnf h GLY 163 N 0.35 1.29 2.00 0.00 0.00 -0.40 -1.32 103.07 104.99 2pnf h GLY 163 Ca -0.01 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 2pnf h GLY 163 CO 0.11 0.32 -0.01 1.41 0.00 0.00 0.00 176.54 178.36 2pnf h LEU 164 N 1.03 0.00 -0.10 3.11 3.38 -1.07 -1.10 115.31 120.56 2pnf h LEU 164 Ca 0.38 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.22 2pnf h LEU 164 Cb 0.15 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.91 2pnf h LEU 164 CO -0.13 0.01 -0.42 0.40 0.09 0.00 0.00 178.44 178.39 2pnf h ILE 165 N 0.00 1.38 -0.66 1.22 1.08 -1.30 0.04 117.51 119.27 2pnf h ILE 165 Ca -0.00 -1.76 -0.07 0.00 -0.39 0.00 0.00 64.86 62.64 2pnf h ILE 165 Cb 0.09 2.21 -0.03 0.00 -3.07 0.00 0.00 36.82 36.02 2pnf h ILE 165 CO 0.00 0.52 0.12 1.23 -0.69 0.00 0.00 178.15 179.33 2pnf h GLY 166 N 0.03 1.15 0.74 5.37 0.00 -1.39 -0.00 103.07 108.97 2pnf h GLY 166 Ca -0.02 -0.75 0.03 0.00 0.00 0.00 0.00 47.33 46.59 2pnf h GLY 166 CO 0.09 0.69 0.08 -2.75 0.00 0.00 0.00 176.54 174.65 2pnf h PHE 167 N 1.01 0.14 -0.17 5.60 3.57 -1.19 -1.18 116.94 124.72 2pnf h PHE 167 Ca 0.20 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 2pnf h PHE 167 Cb 0.41 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2pnf h PHE 167 CO 0.03 0.06 0.08 1.15 -2.23 0.00 0.00 178.31 177.40 2pnf h THR 168 N 0.20 1.12 -0.57 4.41 2.02 -0.62 0.51 112.91 119.97 2pnf h THR 168 Ca 0.12 -0.35 -0.10 0.00 0.77 0.00 0.00 66.41 66.85 2pnf h THR 168 Cb 0.11 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 2pnf h THR 168 CO -0.14 0.12 -0.03 0.11 0.37 0.00 0.00 175.52 175.94 2pnf h LYS 169 N 0.15 1.04 -0.25 6.66 1.57 -0.86 -0.57 116.57 124.31 2pnf h LYS 169 Ca 0.06 -0.35 -0.11 0.00 -1.87 0.00 0.00 60.65 58.38 2pnf h LYS 169 Cb 0.11 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 2pnf h LYS 169 CO -0.01 1.04 -0.27 0.77 -0.57 0.00 0.00 179.45 180.41 2pnf h SER 170 N 0.93 0.67 -0.10 0.86 0.02 -1.15 -2.68 113.55 112.10 2pnf h SER 170 Ca 0.16 -0.48 -0.11 0.00 -0.84 0.00 0.00 61.79 60.52 2pnf h SER 170 Cb 0.59 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2pnf h SER 170 CO 0.04 1.02 -0.30 0.25 -1.14 0.00 0.00 176.83 176.70 2pnf h LEU 171 N 0.34 0.58 -0.48 5.07 5.85 -0.80 -2.31 115.31 123.55 2pnf h LEU 171 Ca 0.04 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.56 2pnf h LEU 171 Cb 0.84 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 2pnf h LEU 171 CO 0.07 0.85 0.28 0.00 -0.34 0.00 0.00 178.44 179.30 2pnf h ALA 172 N 1.19 0.62 -0.56 1.25 0.00 -1.06 -0.52 119.26 120.18 2pnf h ALA 172 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2pnf h ALA 172 Cb 0.76 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2pnf h ALA 172 CO 0.06 -0.02 0.31 0.87 0.00 0.00 0.00 179.25 180.47 2pnf h LYS 173 N 0.57 0.77 -0.10 0.00 1.57 -1.16 -0.85 116.57 117.38 2pnf h LYS 173 Ca 0.20 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 2pnf h LYS 173 Cb 0.03 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2pnf h LYS 173 CO -0.09 0.58 -0.34 0.93 -0.57 0.00 0.00 179.45 179.96 2pnf h GLU 174 N 0.75 0.19 -0.01 3.15 5.08 -0.95 -3.25 114.58 119.54 2pnf h GLU 174 Ca 0.20 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2pnf h GLU 174 Cb 0.03 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2pnf h GLU 174 CO -0.03 0.51 -0.73 1.28 -1.00 0.00 0.00 179.01 179.04 2pnf n LEU 175 N -4.09 1.35 -0.33 1.33 4.77 -0.24 -4.43 117.00 115.35 2pnf n LEU 175 Ca -0.01 -0.55 0.06 0.00 -0.03 0.00 0.00 56.01 55.48 2pnf n LEU 175 Cb 0.42 -0.02 0.25 0.00 -2.33 0.00 0.00 43.42 41.74 2pnf n LEU 175 CO 0.40 0.29 1.24 0.00 -1.33 0.00 0.00 177.39 177.99 2pnf h ALA 176 N 3.36 1.55 0.00 -1.18 0.00 -1.19 -0.05 119.26 121.76 2pnf h ALA 176 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pnf h ALA 176 Cb 0.60 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2pnf h ALA 176 CO 0.00 0.25 -0.01 -1.35 0.00 0.00 0.00 179.25 178.14 2pnf h PRO 177 N 0.98 0.00 -0.61 0.00 0.11 -1.80 0.25 132.00 130.94 2pnf h PRO 177 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 2pnf h PRO 177 Cb 0.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.51 2pnf h PRO 177 CO -0.21 0.01 0.00 0.54 -0.21 0.00 0.00 178.00 178.13 2pnf n ARG 178 N -3.30 2.56 -2.83 1.05 5.12 -0.05 -4.95 116.66 114.26 2pnf n ARG 178 Ca -0.03 -2.40 -0.21 0.00 -1.93 0.00 0.00 57.85 53.28 2pnf n ARG 178 Cb 0.11 -1.53 0.02 0.00 -1.16 0.00 0.00 32.46 29.90 2pnf n ARG 178 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2pnf n ASN 179 N 1.49 -5.84 -4.36 0.55 4.05 0.08 -3.81 115.26 107.40 2pnf n ASN 179 Ca 0.22 -0.21 -0.38 0.00 0.45 0.00 0.00 54.58 54.66 2pnf n ASN 179 Cb 0.58 -4.71 -0.12 0.00 1.23 0.00 0.00 39.78 36.76 2pnf n ASN 179 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2pnf s VAL 180 N -3.11 4.17 -0.05 3.44 1.01 -1.12 -3.34 120.40 121.40 2pnf s VAL 180 Ca 0.22 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 2pnf s VAL 180 Cb -0.10 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 2pnf s VAL 180 CO 0.27 0.02 0.43 -0.76 0.00 0.00 0.00 175.10 175.06 2pnf s LEU 181 N 1.52 4.40 -0.16 3.92 1.43 -0.31 -4.16 118.68 125.33 2pnf s LEU 181 Ca 0.03 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 2pnf s LEU 181 Cb -0.18 -2.62 0.03 0.00 0.03 0.00 0.00 46.19 43.45 2pnf s LEU 181 CO 0.04 0.20 -0.10 -0.69 0.23 0.00 0.00 176.35 176.03 2pnf s VAL 182 N -0.41 1.40 0.25 -1.59 1.01 -1.26 -0.76 120.40 119.04 2pnf s VAL 182 Ca 0.24 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.57 2pnf s VAL 182 Cb -0.16 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 2pnf s VAL 182 CO 0.12 0.30 0.15 0.20 0.00 0.00 0.00 175.10 175.88 2pnf s ASN 183 N 1.53 0.80 0.12 3.32 0.01 -0.57 -0.09 114.94 120.07 2pnf s ASN 183 Ca 0.03 -1.48 0.05 0.00 -0.71 0.00 0.00 52.86 50.75 2pnf s ASN 183 Cb -0.14 0.37 -0.04 0.00 0.41 0.00 0.00 41.25 41.86 2pnf s ASN 183 CO -0.09 -0.87 -0.13 0.00 -1.51 0.00 0.00 177.10 174.50 2pnf s ALA 184 N -3.89 1.42 -0.08 0.60 0.00 -0.03 -0.98 121.76 118.80 2pnf s ALA 184 Ca 0.38 -1.28 0.04 0.00 0.00 0.00 0.00 51.96 51.10 2pnf s ALA 184 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.13 2pnf s ALA 184 CO 0.16 0.07 -0.20 0.08 0.00 0.00 0.00 175.76 175.87 2pnf s VAL 185 N -2.22 1.69 -0.55 0.00 1.01 -0.25 -0.64 120.40 119.45 2pnf s VAL 185 Ca 0.08 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.27 2pnf s VAL 185 Cb -0.04 -1.48 0.14 0.00 0.00 0.00 0.00 36.38 35.00 2pnf s VAL 185 CO 0.02 0.48 0.31 0.00 0.00 0.00 0.00 175.10 175.91 2pnf s ALA 186 N 0.39 3.39 0.68 5.51 0.00 -0.02 -0.61 121.76 131.10 2pnf s ALA 186 Ca -0.15 -3.30 -0.15 0.00 0.00 0.00 0.00 51.96 48.35 2pnf s ALA 186 Cb -0.16 -2.27 0.01 0.00 0.00 0.00 0.00 23.12 20.70 2pnf s ALA 186 CO 0.06 -2.04 1.16 -2.14 0.00 0.00 0.00 175.76 172.80 2pnf s PRO 187 N -0.31 2.53 0.00 0.00 0.02 -1.26 -1.75 135.00 134.23 2pnf s PRO 187 Ca 0.17 1.59 0.00 0.00 0.02 0.00 0.00 61.00 62.79 2pnf s PRO 187 Cb -0.24 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.38 2pnf s PRO 187 CO -0.01 -1.50 0.00 0.41 -0.33 0.00 0.00 177.00 175.57 2pnf n GLY 188 N -0.01 0.62 3.49 0.52 0.00 -0.19 -1.03 105.19 108.58 2pnf n GLY 188 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2pnf n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pnf s PHE 189 N 2.33 3.10 -0.10 1.61 0.08 -1.26 -4.77 117.98 118.96 2pnf s PHE 189 Ca 0.00 -0.30 -0.01 0.00 0.12 0.00 0.00 56.93 56.74 2pnf s PHE 189 Cb 0.00 -3.23 -0.03 0.00 -0.57 0.00 0.00 43.02 39.19 2pnf s PHE 189 CO 0.00 -0.85 -0.06 0.42 -0.10 0.00 0.00 175.22 174.63 2pnf s ILE 190 N 2.52 3.70 -0.36 0.64 -1.09 -1.26 -1.80 121.20 123.55 2pnf s ILE 190 Ca 0.17 -0.46 -0.27 0.00 -2.23 0.00 0.00 60.65 57.86 2pnf s ILE 190 Cb -0.16 -2.55 0.02 0.00 -1.58 0.00 0.00 42.46 38.18 2pnf s ILE 190 CO 0.15 0.56 1.00 -0.70 -1.23 0.00 0.00 174.94 174.72 2pnf s GLU 191 N -0.32 3.93 0.17 2.79 2.12 -0.11 -4.89 118.70 122.39 2pnf s GLU 191 Ca 0.05 0.78 0.01 0.00 0.36 0.00 0.00 54.97 56.17 2pnf s GLU 191 Cb -0.13 -3.78 -0.00 0.00 0.26 0.00 0.00 34.13 30.48 2pnf s GLU 191 CO 0.02 -0.96 0.03 0.25 -0.54 0.00 0.00 175.26 174.07 2pnf n THR 192 N 5.99 0.00 0.36 -1.70 -2.24 -1.26 -4.31 114.28 111.13 2pnf n THR 192 Ca 0.09 -0.90 0.14 0.00 -2.27 0.00 0.00 64.05 61.11 2pnf n THR 192 Cb 0.48 0.26 0.53 0.00 -2.10 0.00 0.00 70.33 69.50 2pnf n THR 192 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2pnf h ASP 193 N 0.54 0.00 1.03 3.42 3.04 -1.99 -1.53 116.42 120.94 2pnf h ASP 193 Ca -0.14 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.65 2pnf h ASP 193 Cb 0.47 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.76 2pnf h ASP 193 CO 0.22 0.00 0.00 0.23 -2.04 0.00 0.00 179.24 177.65 2pnf n MET 194 N -2.64 0.21 0.09 4.15 2.81 -1.26 -3.25 117.12 117.22 2pnf n MET 194 Ca 0.02 0.32 -0.05 0.00 -1.81 0.00 0.00 57.70 56.18 2pnf n MET 194 Cb 0.30 -1.82 -0.01 0.00 -0.71 0.00 0.00 33.22 30.99 2pnf n MET 194 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 2pnf h THR 195 N 0.00 1.58 0.00 2.03 2.02 -1.63 -3.26 112.91 113.65 2pnf h THR 195 Ca 0.00 -2.92 0.00 0.00 0.77 0.00 0.00 66.41 64.26 2pnf h THR 195 Cb 0.52 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 2pnf h THR 195 CO 0.00 0.83 0.00 0.00 0.37 0.00 0.00 175.52 176.72 2pnf h ALA 196 N 1.16 1.00 -0.00 6.16 0.00 -1.69 -1.60 119.26 124.28 2pnf h ALA 196 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pnf h ALA 196 Cb 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2pnf h ALA 196 CO 0.11 0.00 -0.00 1.33 0.00 0.00 0.00 179.25 180.69 2pnf n VAL 197 N -2.75 0.00 -3.72 0.00 0.24 -1.23 -4.74 118.33 106.13 2pnf n VAL 197 Ca -0.01 -0.02 -0.29 0.00 -2.04 0.00 0.00 64.34 61.97 2pnf n VAL 197 Cb 0.12 -0.41 -0.04 0.00 -1.47 0.00 0.00 33.84 32.04 2pnf n VAL 197 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2pnf s LEU 198 N -2.09 4.26 0.68 1.34 1.43 -0.61 -5.08 118.68 118.61 2pnf s LEU 198 Ca 0.44 0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 53.83 2pnf s LEU 198 Cb 0.22 -3.19 0.01 0.00 0.03 0.00 0.00 46.19 43.26 2pnf s LEU 198 CO 0.38 0.02 1.19 -0.44 0.23 0.00 0.00 176.35 177.73 2pnf s SER 199 N -2.81 4.60 0.52 2.29 0.01 -1.26 -4.85 113.70 112.20 2pnf s SER 199 Ca 0.39 2.30 0.25 0.00 1.31 0.00 0.00 55.95 60.20 2pnf s SER 199 Cb -0.12 -2.58 1.42 0.00 0.21 0.00 0.00 66.02 64.95 2pnf s SER 199 CO 0.27 -1.98 2.09 -0.33 0.41 0.00 0.00 173.24 173.70 2pnf h GLU 200 N 0.05 0.00 0.36 12.44 4.39 -1.96 -1.92 114.58 127.94 2pnf h GLU 200 Ca -0.48 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.21 2pnf h GLU 200 Cb 1.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 2pnf h GLU 200 CO 0.52 0.11 -0.32 1.49 -1.16 0.00 0.00 179.01 179.65 2pnf h GLU 201 N 0.00 -0.64 0.00 2.33 4.81 -2.00 -1.67 114.58 117.41 2pnf h GLU 201 Ca -0.00 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2pnf h GLU 201 Cb 0.27 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2pnf h GLU 201 CO 0.01 -0.43 0.00 0.82 -0.73 0.00 0.00 179.01 178.69 2pnf h ILE 202 N -0.66 0.00 0.12 2.32 1.08 -1.84 -2.81 117.51 115.72 2pnf h ILE 202 Ca -0.05 -0.40 -0.21 0.00 -0.39 0.00 0.00 64.86 63.82 2pnf h ILE 202 Cb 0.56 1.30 0.02 0.00 -3.07 0.00 0.00 36.82 35.64 2pnf h ILE 202 CO -0.01 0.00 -0.89 0.11 -0.69 0.00 0.00 178.15 176.67 2pnf h LYS 203 N 0.00 0.39 -0.02 2.37 1.57 -1.25 -2.70 116.57 116.94 2pnf h LYS 203 Ca 0.00 -0.58 0.00 0.00 -1.87 0.00 0.00 60.65 58.20 2pnf h LYS 203 Cb 0.44 0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 2pnf h LYS 203 CO 0.00 1.25 0.01 1.96 -0.57 0.00 0.00 179.45 182.10 2pnf h GLN 204 N -0.18 0.00 0.83 3.15 1.08 -1.11 -0.67 115.11 118.22 2pnf h GLN 204 Ca -0.14 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.01 2pnf h GLN 204 Cb 1.66 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 29.09 2pnf h GLN 204 CO 0.17 0.00 -0.40 -0.22 -0.95 0.00 0.00 178.83 177.43 2pnf h LYS 205 N 0.00 -1.08 -0.83 1.46 3.64 -1.48 -2.59 116.57 115.69 2pnf h LYS 205 Ca 0.01 0.07 0.17 0.00 -1.27 0.00 0.00 60.65 59.63 2pnf h LYS 205 Cb 0.03 0.24 -0.10 0.00 -0.41 0.00 0.00 32.23 31.99 2pnf h LYS 205 CO -0.00 -0.72 0.37 1.88 -2.27 0.00 0.00 179.45 178.72 2pnf h TYR 206 N -1.22 0.64 -0.19 1.91 0.05 -1.12 0.58 116.97 117.62 2pnf h TYR 206 Ca -0.11 0.04 0.05 0.00 0.05 0.00 0.00 58.73 58.76 2pnf h TYR 206 Cb 0.86 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.43 2pnf h TYR 206 CO 0.02 0.07 0.17 0.87 -1.05 0.00 0.00 178.16 178.24 2pnf h LYS 207 N 0.49 0.00 -0.29 4.88 1.57 -1.01 -1.17 116.57 121.04 2pnf h LYS 207 Ca 0.48 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.34 2pnf h LYS 207 Cb 0.77 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 2pnf h LYS 207 CO -0.43 0.00 0.22 1.49 -0.57 0.00 0.00 179.45 180.16 2pnf h GLU 208 N 0.00 0.00 -0.00 3.15 4.57 0.57 0.25 114.58 123.12 2pnf h GLU 208 Ca 0.09 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2pnf h GLU 208 Cb 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2pnf h GLU 208 CO -0.00 0.00 -0.16 1.04 -1.18 0.00 0.00 179.01 178.71 2pnf n GLN 209 N -4.41 0.07 -3.51 1.92 6.02 -0.44 -4.79 117.38 112.24 2pnf n GLN 209 Ca 0.04 -0.02 -0.42 0.00 -0.01 0.00 0.00 57.00 56.60 2pnf n GLN 209 Cb 0.38 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.04 2pnf n GLN 209 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2pnf s ILE 210 N -2.94 5.16 0.27 5.09 1.01 0.07 -4.49 121.20 125.37 2pnf s ILE 210 Ca 0.15 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 2pnf s ILE 210 Cb 0.19 -3.79 0.27 0.00 0.01 0.00 0.00 42.46 39.14 2pnf s ILE 210 CO 0.57 -0.18 1.84 -0.65 0.00 0.00 0.00 174.94 176.53 2pnf h PRO 211 N 8.55 0.98 0.00 2.79 0.11 -1.81 0.30 132.00 142.92 2pnf h PRO 211 Ca -0.29 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2pnf h PRO 211 Cb 1.13 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2pnf h PRO 211 CO 0.68 0.65 0.00 1.28 -0.21 0.00 0.00 178.00 180.40 2pnf n LEU 212 N -4.61 0.21 -0.27 2.35 4.77 -0.94 -4.87 117.00 113.64 2pnf n LEU 212 Ca 0.17 0.56 -0.04 0.00 -0.03 0.00 0.00 56.01 56.68 2pnf n LEU 212 Cb 0.30 -0.55 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 2pnf n LEU 212 CO 0.28 -0.43 -0.03 0.61 -1.33 0.00 0.00 177.39 176.49 2pnf n GLY 213 N -0.40 0.62 3.28 -0.72 0.00 0.10 -5.00 105.19 103.08 2pnf n GLY 213 Ca 0.02 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 2pnf n GLY 213 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2pnf s ARG 214 N -1.63 0.93 0.61 1.61 1.70 -1.26 -5.01 118.95 115.90 2pnf s ARG 214 Ca 0.00 -0.63 -0.13 0.00 -0.47 0.00 0.00 55.73 54.50 2pnf s ARG 214 Cb 0.00 0.40 -0.04 0.00 -0.57 0.00 0.00 34.95 34.74 2pnf s ARG 214 CO 0.00 -0.33 1.03 -0.06 -1.08 0.00 0.00 175.30 174.86 2pnf s PHE 215 N -3.22 3.44 0.44 5.89 0.08 -1.26 -4.96 117.98 118.39 2pnf s PHE 215 Ca -0.00 1.37 -0.01 0.00 0.12 0.00 0.00 56.93 58.41 2pnf s PHE 215 Cb 0.01 -2.79 -0.02 0.00 -0.57 0.00 0.00 43.02 39.66 2pnf s PHE 215 CO -0.08 -0.74 0.67 0.20 -0.10 0.00 0.00 175.22 175.18 2pnf s GLY 216 N -3.73 1.49 0.39 4.36 0.00 -0.74 -4.80 107.32 104.29 2pnf s GLY 216 Ca 0.57 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 44.41 2pnf s GLY 216 CO 0.47 -0.74 0.60 -1.35 0.00 0.00 0.00 173.10 172.08 2pnf s SER 217 N -4.15 6.10 0.31 1.64 1.04 -1.26 -0.93 113.70 116.45 2pnf s SER 217 Ca 0.46 0.37 -0.01 0.00 0.48 0.00 0.00 55.95 57.25 2pnf s SER 217 Cb -0.10 -1.81 0.50 0.00 0.10 0.00 0.00 66.02 64.71 2pnf s SER 217 CO 0.39 -0.46 1.98 -0.65 0.98 0.00 0.00 173.24 175.48 2pnf h PRO 218 N 0.61 1.00 -0.51 4.02 0.11 -1.94 -2.14 132.00 133.14 2pnf h PRO 218 Ca -0.48 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.55 2pnf h PRO 218 Cb 1.23 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 2pnf h PRO 218 CO 0.59 0.67 0.26 1.49 -0.21 0.00 0.00 178.00 180.80 2pnf h GLU 219 N 1.02 0.71 -0.15 1.05 4.81 -1.93 -0.28 114.58 119.81 2pnf h GLU 219 Ca 0.27 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 2pnf h GLU 219 Cb -0.10 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 2pnf h GLU 219 CO -0.06 0.54 -0.17 0.93 -0.73 0.00 0.00 179.01 179.52 2pnf h GLU 220 N 0.71 0.25 -0.09 1.92 5.08 -1.77 0.72 114.58 121.41 2pnf h GLU 220 Ca 0.18 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.35 2pnf h GLU 220 Cb 0.06 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.28 2pnf h GLU 220 CO -0.03 0.43 -0.44 0.28 -1.00 0.00 0.00 179.01 178.25 2pnf h VAL 221 N 0.24 1.39 -0.82 3.13 2.07 -1.25 -3.26 116.25 117.75 2pnf h VAL 221 Ca 0.04 -1.80 0.07 0.00 0.82 0.00 0.00 66.70 65.83 2pnf h VAL 221 Cb 0.45 2.26 -0.05 0.00 -1.52 0.00 0.00 31.29 32.43 2pnf h VAL 221 CO 0.03 0.53 0.53 0.00 0.02 0.00 0.00 177.57 178.69 2pnf h ALA 222 N 0.45 1.61 -0.33 1.67 0.00 -0.70 -1.67 119.26 120.29 2pnf h ALA 222 Ca -0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2pnf h ALA 222 Cb 1.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2pnf h ALA 222 CO 0.09 0.27 0.14 -0.91 0.00 0.00 0.00 179.25 178.84 2pnf h ASN 223 N 0.89 0.41 0.13 0.00 2.35 -0.90 -0.01 115.58 118.45 2pnf h ASN 223 Ca 0.35 -0.03 -0.22 0.00 -0.55 0.00 0.00 56.30 55.85 2pnf h ASN 223 Cb 0.23 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 38.50 2pnf h ASN 223 CO -0.13 0.37 -0.85 0.58 -1.65 0.00 0.00 177.43 175.75 2pnf h VAL 224 N 0.46 1.34 -0.50 2.81 2.07 -1.37 -1.31 116.25 119.76 2pnf h VAL 224 Ca 0.12 -2.20 -0.02 0.00 0.82 0.00 0.00 66.70 65.42 2pnf h VAL 224 Cb 0.08 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 2pnf h VAL 224 CO -0.01 0.67 0.25 0.58 0.02 0.00 0.00 177.57 179.08 2pnf h VAL 225 N 0.35 1.19 -0.46 2.57 2.07 -0.94 -1.28 116.25 119.75 2pnf h VAL 225 Ca -0.07 -0.51 0.03 0.00 0.82 0.00 0.00 66.70 66.97 2pnf h VAL 225 Cb 1.47 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 2pnf h VAL 225 CO 0.16 0.20 0.26 0.25 0.02 0.00 0.00 177.57 178.46 2pnf h LEU 226 N 0.67 0.41 -0.40 2.57 5.85 -0.87 -1.48 115.31 122.05 2pnf h LEU 226 Ca 0.17 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.97 2pnf h LEU 226 Cb 0.09 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 2pnf h LEU 226 CO -0.02 0.29 0.08 0.15 -0.34 0.00 0.00 178.44 178.60 2pnf h PHE 227 N 0.52 0.13 0.00 1.25 3.57 -0.83 -1.11 116.94 120.48 2pnf h PHE 227 Ca 0.19 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 2pnf h PHE 227 Cb 0.04 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 2pnf h PHE 227 CO -0.08 0.01 -0.05 -0.07 -2.23 0.00 0.00 178.31 175.89 2pnf h LEU 228 N 0.21 0.00 -0.46 0.59 3.38 -0.45 -1.49 115.31 117.09 2pnf h LEU 228 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2pnf h LEU 228 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2pnf h LEU 228 CO -0.25 0.05 -0.24 0.00 0.09 0.00 0.00 178.44 178.09 2pnf s SER 230 N -2.51 4.82 0.05 0.00 1.04 -0.56 -4.99 113.70 111.56 2pnf s SER 230 Ca 0.25 -0.26 0.20 0.00 0.48 0.00 0.00 55.95 56.62 2pnf s SER 230 Cb 0.19 -0.35 0.85 0.00 0.10 0.00 0.00 66.02 66.81 2pnf s SER 230 CO 0.52 -1.50 1.64 -0.62 0.98 0.00 0.00 173.24 174.26 2pnf n GLU 231 N -2.56 0.04 0.09 4.02 -0.58 -1.26 -2.62 120.64 117.77 2pnf n GLU 231 Ca 0.12 0.20 0.12 0.00 -0.42 0.00 0.00 57.16 57.18 2pnf n GLU 231 Cb 0.60 -1.57 0.45 0.00 -0.57 0.00 0.00 31.44 30.35 2pnf n GLU 231 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2pnf n LEU 232 N -1.65 0.56 -1.09 -4.62 4.77 -1.26 -3.24 117.00 110.47 2pnf n LEU 232 Ca 0.04 0.60 -0.00 0.00 -0.03 0.00 0.00 56.01 56.62 2pnf n LEU 232 Cb 0.24 -0.47 0.22 0.00 -2.33 0.00 0.00 43.42 41.08 2pnf n LEU 232 CO 0.19 -0.33 0.72 0.00 -1.33 0.00 0.00 177.39 176.64 2pnf n ALA 233 N -1.71 3.85 0.30 -1.18 0.00 -1.08 -4.77 120.51 115.92 2pnf n ALA 233 Ca 0.04 -2.83 0.15 0.00 0.00 0.00 0.00 53.44 50.80 2pnf n ALA 233 Cb 0.30 -0.75 0.68 0.00 0.00 0.00 0.00 19.45 19.68 2pnf n ALA 233 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2pnf h SER 234 N 1.25 0.00 -0.29 0.00 4.64 -1.72 -2.44 113.55 114.99 2pnf h SER 234 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2pnf h SER 234 Cb 1.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 2pnf h SER 234 CO 0.35 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.31 2pnf n TYR 235 N -2.57 0.78 -3.84 4.77 9.36 -1.26 -4.95 117.16 119.44 2pnf n TYR 235 Ca 0.00 -0.74 -0.36 0.00 3.32 0.00 0.00 57.90 60.13 2pnf n TYR 235 Cb 0.17 -0.21 -0.13 0.00 -0.63 0.00 0.00 39.34 38.54 2pnf n TYR 235 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2pnf s ILE 236 N -2.15 3.89 -0.08 2.97 1.01 -0.92 -5.07 121.20 120.84 2pnf s ILE 236 Ca 0.35 -0.32 -0.23 0.00 0.00 0.00 0.00 60.65 60.46 2pnf s ILE 236 Cb 0.26 -2.80 0.05 0.00 0.01 0.00 0.00 42.46 39.99 2pnf s ILE 236 CO 0.11 0.38 0.53 0.28 0.00 0.00 0.00 174.94 176.25 2pnf s THR 237 N 1.52 0.02 -0.55 2.92 -1.32 -1.26 -4.70 115.64 112.27 2pnf s THR 237 Ca 0.06 -0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.39 2pnf s THR 237 Cb -0.15 -0.82 0.00 0.00 -1.51 0.00 0.00 72.50 70.02 2pnf s THR 237 CO 0.01 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 172.94 2pnf n GLY 238 N 1.52 0.68 3.59 6.08 0.00 0.88 -4.96 105.19 112.97 2pnf n GLY 238 Ca -0.18 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 44.79 2pnf n GLY 238 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pnf s GLU 239 N -2.78 2.13 -0.12 1.61 2.56 -1.26 -4.71 118.70 116.14 2pnf s GLU 239 Ca 0.00 -1.37 0.01 0.00 0.00 0.00 0.00 54.97 53.61 2pnf s GLU 239 Cb 0.00 -2.13 -0.01 0.00 2.00 0.00 0.00 34.13 33.99 2pnf s GLU 239 CO 0.00 0.40 -0.15 0.08 -0.56 0.00 0.00 175.26 175.03 2pnf s VAL 240 N -2.02 2.86 -0.24 3.70 1.01 -1.26 -0.85 120.40 123.59 2pnf s VAL 240 Ca 0.28 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 2pnf s VAL 240 Cb -0.08 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 2pnf s VAL 240 CO 0.17 0.53 0.03 -0.63 0.00 0.00 0.00 175.10 175.20 2pnf s ILE 241 N 0.34 3.94 -0.03 2.22 1.01 0.18 -4.96 121.20 123.90 2pnf s ILE 241 Ca -0.12 -0.35 -0.23 0.00 0.00 0.00 0.00 60.65 59.95 2pnf s ILE 241 Cb -0.16 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 2pnf s ILE 241 CO 0.06 0.34 0.68 -1.00 0.00 0.00 0.00 174.94 175.02 2pnf s HIS 242 N 1.55 3.64 -0.52 3.97 3.76 -1.26 -0.84 115.29 125.58 2pnf s HIS 242 Ca 0.06 1.27 0.04 0.00 -0.15 0.00 0.00 55.06 56.27 2pnf s HIS 242 Cb -0.15 -2.75 0.16 0.00 1.11 0.00 0.00 32.58 30.96 2pnf s HIS 242 CO 0.01 0.20 0.38 0.08 -0.85 0.00 0.00 174.74 174.56 2pnf s VAL 243 N 0.35 1.47 -0.00 -0.90 1.01 -0.72 -4.90 120.40 116.71 2pnf s VAL 243 Ca 0.35 -3.21 0.00 0.00 0.00 0.00 0.00 61.98 59.12 2pnf s VAL 243 Cb -0.18 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.21 2pnf s VAL 243 CO 0.19 -1.08 0.83 -0.46 0.00 0.00 0.00 175.10 174.57 2pnf n ASN 244 N 2.67 0.01 -1.16 3.32 0.23 -1.26 -1.03 115.26 118.04 2pnf n ASN 244 Ca 0.22 -1.67 -0.15 0.00 -0.53 0.00 0.00 54.58 52.45 2pnf n ASN 244 Cb 0.40 -0.13 -0.06 0.00 -2.08 0.00 0.00 39.78 37.91 2pnf n ASN 244 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2pnf n GLY 245 N -0.00 1.54 0.41 4.83 0.00 -1.26 -2.80 105.19 107.90 2pnf n GLY 245 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2pnf n GLY 245 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pnf n GLY 246 N -1.09 0.87 0.21 -0.02 0.00 -1.26 -2.20 105.19 101.69 2pnf n GLY 246 Ca -0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.00 2pnf n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pnf h MET 247 N 3.57 0.00 0.00 1.61 -0.00 -1.75 -3.42 114.93 114.95 2pnf h MET 247 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2pnf h MET 247 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2pnf h MET 247 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.91 177.25