#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fnf n GLY 3 N 0.00 0.45 0.48 1.09 0.00 -1.26 -4.86 105.19 101.09 3fnf n GLY 3 Ca 0.00 -0.73 0.30 0.00 0.00 0.00 0.00 46.02 45.59 3fnf n GLY 3 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fnf h LEU 4 N 0.00 0.00 -2.94 0.99 5.85 -1.92 -1.58 115.31 115.71 3fnf h LEU 4 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3fnf h LEU 4 Cb 0.00 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 40.93 3fnf h LEU 4 CO 0.00 0.00 -0.57 0.18 -0.34 0.00 0.00 178.44 177.71 3fnf n LEU 5 N -4.12 2.06 -4.68 2.25 4.32 -0.73 -4.69 117.00 111.42 3fnf n LEU 5 Ca 0.20 -3.14 -0.48 0.00 -0.02 0.00 0.00 56.01 52.57 3fnf n LEU 5 Cb 1.05 -0.35 -0.05 0.00 -1.62 0.00 0.00 43.42 42.46 3fnf n LEU 5 CO 0.37 1.01 1.48 -0.67 -1.22 0.00 0.00 177.39 178.37 3fnf n ASP 6 N -0.69 3.45 0.00 -1.43 -0.08 -0.60 -1.85 116.55 115.36 3fnf n ASP 6 Ca 0.14 0.98 0.00 0.00 -1.51 0.00 0.00 54.79 54.40 3fnf n ASP 6 Cb 0.80 -1.38 0.00 0.00 2.34 0.00 0.00 41.12 42.88 3fnf n ASP 6 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3fnf n GLY 7 N 4.37 2.73 3.77 0.27 0.00 -1.19 -4.96 105.19 110.17 3fnf n GLY 7 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 3fnf n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fnf s LYS 8 N -0.16 3.64 -0.20 1.61 1.02 -0.77 -4.86 119.74 120.01 3fnf s LYS 8 Ca 0.00 1.80 -0.04 0.00 0.02 0.00 0.00 55.97 57.75 3fnf s LYS 8 Cb 0.00 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.96 3fnf s LYS 8 CO 0.00 -0.66 -0.04 1.03 -0.92 0.00 0.00 175.35 174.76 3fnf s ARG 9 N -2.80 3.47 -0.04 1.68 0.52 -1.26 -1.53 118.95 118.98 3fnf s ARG 9 Ca 0.66 -0.59 0.00 0.00 -0.52 0.00 0.00 55.73 55.27 3fnf s ARG 9 Cb -0.29 -2.97 0.03 0.00 0.52 0.00 0.00 34.95 32.23 3fnf s ARG 9 CO 0.35 -0.05 -0.01 0.42 0.02 0.00 0.00 175.30 176.03 3fnf s ILE 10 N 1.11 0.32 -0.17 1.52 1.01 -0.44 -0.09 121.20 124.46 3fnf s ILE 10 Ca 0.02 0.04 -0.22 0.00 0.00 0.00 0.00 60.65 60.49 3fnf s ILE 10 Cb -0.15 -0.41 -0.03 0.00 0.01 0.00 0.00 42.46 41.89 3fnf s ILE 10 CO -0.00 0.20 0.65 -0.22 0.00 0.00 0.00 174.94 175.57 3fnf s LEU 11 N 1.24 4.19 -0.18 2.97 1.98 -0.32 -0.54 118.68 128.01 3fnf s LEU 11 Ca -0.07 0.93 0.01 0.00 -2.89 0.00 0.00 54.13 52.12 3fnf s LEU 11 Cb -0.13 -2.95 0.02 0.00 0.66 0.00 0.00 46.19 43.79 3fnf s LEU 11 CO -0.02 -0.24 -0.20 -0.69 -1.89 0.00 0.00 176.35 173.31 3fnf s VAL 12 N 1.65 2.05 0.28 1.68 1.01 -0.05 0.43 120.40 127.45 3fnf s VAL 12 Ca 0.31 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3fnf s VAL 12 Cb -0.16 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 3fnf s VAL 12 CO 0.12 0.54 0.45 -0.94 0.00 0.00 0.00 175.10 175.26 3fnf s SER 13 N 1.29 6.32 0.00 3.32 1.04 -0.28 -1.73 113.70 123.66 3fnf s SER 13 Ca 0.05 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.76 3fnf s SER 13 Cb -0.13 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 64.03 3fnf s SER 13 CO -0.13 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.54 3fnf n GLY 14 N -1.46 1.07 3.69 7.32 0.00 -1.23 -3.80 105.19 110.78 3fnf n GLY 14 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 3fnf n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fnf s ILE 15 N -2.00 4.95 0.00 -0.61 1.01 -1.26 -4.55 121.20 118.74 3fnf s ILE 15 Ca 0.00 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.24 3fnf s ILE 15 Cb 0.00 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.36 3fnf s ILE 15 CO 0.00 0.14 0.00 0.00 0.00 0.00 0.00 174.94 175.08 3fnf n ILE 16 N 4.23 0.00 -4.22 2.92 0.13 -1.26 -4.81 119.36 116.36 3fnf n ILE 16 Ca 0.02 0.00 -0.12 0.00 -1.10 0.00 0.00 62.75 61.55 3fnf n ILE 16 Cb 0.50 -0.47 -0.04 0.00 -0.84 0.00 0.00 39.64 38.79 3fnf n ILE 16 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 3fnf n THR 17 N -1.71 0.00 1.10 9.51 -2.24 -1.26 -4.81 114.28 114.87 3fnf n THR 17 Ca 0.00 -1.29 0.11 0.00 -2.27 0.00 0.00 64.05 60.60 3fnf n THR 17 Cb 0.30 0.55 0.35 0.00 -2.10 0.00 0.00 70.33 69.43 3fnf n THR 17 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3fnf n ASP 18 N -2.01 2.03 0.02 3.42 5.75 -1.26 -2.89 116.55 121.61 3fnf n ASP 18 Ca 0.00 -1.75 0.11 0.00 -0.01 0.00 0.00 54.79 53.15 3fnf n ASP 18 Cb 0.33 -0.11 0.10 0.00 -1.03 0.00 0.00 41.12 40.41 3fnf n ASP 18 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3fnf n SER 19 N 0.57 0.63 -4.71 -1.12 7.64 -1.26 -4.77 113.62 110.59 3fnf n SER 19 Ca 0.17 -0.22 -0.42 0.00 1.01 0.00 0.00 58.87 59.41 3fnf n SER 19 Cb 0.40 0.54 0.00 0.00 -1.01 0.00 0.00 64.21 64.13 3fnf n SER 19 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3fnf n SER 20 N -1.82 2.89 -0.30 6.43 7.64 -1.14 -4.73 113.62 122.59 3fnf n SER 20 Ca 0.03 1.18 0.02 0.00 1.01 0.00 0.00 58.87 61.12 3fnf n SER 20 Cb 0.40 -1.51 0.16 0.00 -1.01 0.00 0.00 64.21 62.25 3fnf n SER 20 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3fnf h ILE 21 N 2.48 0.94 -0.12 0.44 2.04 -1.91 -2.21 117.51 119.17 3fnf h ILE 21 Ca -0.47 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 3fnf h ILE 21 Cb 1.28 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3fnf h ILE 21 CO 0.62 0.15 0.02 0.00 0.00 0.00 0.00 178.15 178.94 3fnf h ALA 22 N 1.44 1.81 -0.26 1.87 0.00 -1.86 -0.22 119.26 122.04 3fnf h ALA 22 Ca 0.39 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 3fnf h ALA 22 Cb 0.32 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3fnf h ALA 22 CO -0.23 0.15 0.02 0.35 0.00 0.00 0.00 179.25 179.55 3fnf h PHE 23 N 0.17 0.49 -0.44 0.00 3.04 -1.67 -1.34 116.94 117.19 3fnf h PHE 23 Ca 0.04 -0.08 -0.10 0.00 3.98 0.00 0.00 57.97 61.82 3fnf h PHE 23 Cb 0.09 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.45 3fnf h PHE 23 CO 0.00 0.59 -0.13 0.45 -2.02 0.00 0.00 178.31 177.20 3fnf h HIS 24 N 0.25 0.89 -0.77 0.41 3.86 -1.30 -0.32 115.15 118.17 3fnf h HIS 24 Ca 0.08 -0.17 0.02 0.00 -1.16 0.00 0.00 60.37 59.13 3fnf h HIS 24 Cb 0.38 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.58 3fnf h HIS 24 CO 0.03 0.89 0.50 0.82 0.86 0.00 0.00 177.93 181.03 3fnf h ILE 25 N 0.73 1.16 -0.19 2.45 2.04 -0.95 -0.91 117.51 121.84 3fnf h ILE 25 Ca 0.12 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 3fnf h ILE 25 Cb 0.62 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3fnf h ILE 25 CO 0.04 0.18 -0.13 0.00 0.00 0.00 0.00 178.15 178.24 3fnf h ALA 26 N 1.30 0.27 0.24 1.87 0.00 -0.86 -1.36 119.26 120.71 3fnf h ALA 26 Ca 0.29 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3fnf h ALA 26 Cb -0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3fnf h ALA 26 CO -0.08 0.14 -0.34 -0.09 0.00 0.00 0.00 179.25 178.88 3fnf h ARG 27 N 0.09 -0.62 -0.69 0.00 2.43 -0.95 0.01 114.38 114.65 3fnf h ARG 27 Ca 0.04 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3fnf h ARG 27 Cb 0.65 0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.29 3fnf h ARG 27 CO 0.04 -0.41 0.43 0.28 -1.51 0.00 0.00 179.97 178.79 3fnf h VAL 28 N -0.64 1.08 -0.39 0.20 2.07 -1.18 0.17 116.25 117.56 3fnf h VAL 28 Ca 0.00 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.26 3fnf h VAL 28 Cb 0.62 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3fnf h VAL 28 CO -0.12 0.15 0.22 0.00 0.02 0.00 0.00 177.57 177.84 3fnf h ALA 29 N 1.30 0.50 -0.48 1.67 0.00 -0.92 -1.40 119.26 119.92 3fnf h ALA 29 Ca 0.28 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 3fnf h ALA 29 Cb 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3fnf h ALA 29 CO -0.11 -0.12 0.03 1.96 0.00 0.00 0.00 179.25 181.01 3fnf h GLN 30 N 0.45 0.78 0.00 0.00 4.20 -0.49 -1.29 115.11 118.76 3fnf h GLN 30 Ca 0.16 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3fnf h GLN 30 Cb 0.03 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 3fnf h GLN 30 CO -0.09 0.77 -0.03 0.93 -0.67 0.00 0.00 178.83 179.74 3fnf h GLU 31 N 0.74 0.00 -0.58 1.46 5.08 0.26 -2.57 114.58 118.96 3fnf h GLU 31 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3fnf h GLU 31 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3fnf h GLU 31 CO 0.01 0.03 0.00 1.04 -1.00 0.00 0.00 179.01 179.09 3fnf n GLN 32 N -3.54 3.33 -0.17 2.33 1.13 -0.62 -4.93 117.38 114.91 3fnf n GLN 32 Ca -0.02 -2.71 0.00 0.00 -1.94 0.00 0.00 57.00 52.33 3fnf n GLN 32 Cb 0.13 -1.72 0.00 0.00 0.11 0.00 0.00 30.24 28.76 3fnf n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3fnf n GLY 33 N 0.99 0.64 3.77 1.08 0.00 -0.97 -1.78 105.19 108.93 3fnf n GLY 33 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 3fnf n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fnf s ALA 34 N -2.28 3.19 -0.14 4.61 0.00 -0.57 -3.20 121.76 123.38 3fnf s ALA 34 Ca 0.00 0.87 -0.03 0.00 0.00 0.00 0.00 51.96 52.80 3fnf s ALA 34 Cb 0.00 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 3fnf s ALA 34 CO 0.00 -0.36 -0.03 1.14 0.00 0.00 0.00 175.76 176.52 3fnf s GLN 35 N -2.18 3.47 0.16 0.00 -2.07 -0.58 -4.29 119.66 114.16 3fnf s GLN 35 Ca 0.55 -0.49 0.06 0.00 -1.82 0.00 0.00 55.36 53.66 3fnf s GLN 35 Cb -0.28 -2.88 -0.04 0.00 -1.09 0.00 0.00 33.01 28.72 3fnf s GLN 35 CO 0.36 0.38 0.04 -0.51 -1.32 0.00 0.00 175.29 174.24 3fnf s LEU 36 N 0.00 3.49 -0.06 2.60 1.43 -1.26 -1.33 118.68 123.56 3fnf s LEU 36 Ca 0.01 -0.29 0.05 0.00 -1.03 0.00 0.00 54.13 52.88 3fnf s LEU 36 Cb -0.13 -2.14 -0.01 0.00 0.03 0.00 0.00 46.19 43.95 3fnf s LEU 36 CO 0.02 0.09 -0.21 -0.69 0.23 0.00 0.00 176.35 175.80 3fnf s VAL 37 N -1.69 1.75 0.09 -1.59 1.01 0.30 -3.99 120.40 116.28 3fnf s VAL 37 Ca 0.28 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.45 3fnf s VAL 37 Cb -0.10 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3fnf s VAL 37 CO 0.20 0.49 -0.15 -0.76 0.00 0.00 0.00 175.10 174.88 3fnf s LEU 38 N 0.00 2.80 0.07 3.92 1.43 -0.10 -0.87 118.68 125.93 3fnf s LEU 38 Ca -0.06 -0.47 0.09 0.00 -1.03 0.00 0.00 54.13 52.67 3fnf s LEU 38 Cb -0.13 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 3fnf s LEU 38 CO 0.04 0.20 -0.25 0.42 0.23 0.00 0.00 176.35 176.98 3fnf s THR 39 N -1.12 2.05 0.08 5.49 -4.23 -0.70 -0.51 115.64 116.70 3fnf s THR 39 Ca 0.18 -1.46 0.04 0.00 -1.18 0.00 0.00 61.69 59.27 3fnf s THR 39 Cb -0.11 -1.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.92 3fnf s THR 39 CO 0.10 0.23 -0.12 -0.83 -0.54 0.00 0.00 174.62 173.46 3fnf s GLY 40 N -1.50 0.84 -0.03 3.99 0.00 0.40 -3.53 107.32 107.50 3fnf s GLY 40 Ca 0.11 -1.06 -0.01 0.00 0.00 0.00 0.00 44.72 43.76 3fnf s GLY 40 CO 0.03 -1.11 -0.02 -2.75 0.00 0.00 0.00 173.10 169.26 3fnf h PHE 41 N 4.02 0.00 0.00 1.90 3.57 -1.88 0.55 116.94 125.11 3fnf h PHE 41 Ca -0.39 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.11 3fnf h PHE 41 Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 3fnf h PHE 41 CO 0.64 0.00 -0.56 -3.47 -2.23 0.00 0.00 178.31 172.69 3fnf n ASP 42 N -2.67 2.25 -3.96 0.41 4.64 -1.26 -4.45 116.55 111.51 3fnf n ASP 42 Ca -0.01 0.00 -0.34 0.00 -1.38 0.00 0.00 54.79 53.06 3fnf n ASP 42 Cb 0.03 0.01 -0.07 0.00 -1.04 0.00 0.00 41.12 40.05 3fnf n ASP 42 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3fnf n ARG 43 N -2.04 2.70 0.07 -0.67 1.74 -1.26 -4.92 116.66 112.28 3fnf n ARG 43 Ca 0.00 -4.52 -0.13 0.00 -0.77 0.00 0.00 57.85 52.43 3fnf n ARG 43 Cb 0.28 -2.38 -0.04 0.00 -1.02 0.00 0.00 32.46 29.30 3fnf n ARG 43 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3fnf h LEU 44 N 5.54 0.49 -0.70 0.55 -0.00 -1.93 -1.42 115.31 117.85 3fnf h LEU 44 Ca 0.17 -0.40 -0.02 0.00 -0.00 0.00 0.00 57.88 57.63 3fnf h LEU 44 Cb 0.76 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 41.23 3fnf h LEU 44 CO 0.88 1.20 0.34 0.03 -0.00 0.00 0.00 178.44 180.90 3fnf h ARG 45 N 0.21 1.00 -0.25 1.13 3.08 -2.00 -0.85 114.38 116.71 3fnf h ARG 45 Ca -0.08 -0.14 -0.11 0.00 0.07 0.00 0.00 59.98 59.72 3fnf h ARG 45 Cb 1.58 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.43 3fnf h ARG 45 CO 0.16 0.79 -0.32 1.25 -1.07 0.00 0.00 179.97 180.78 3fnf h LEU 46 N 0.97 0.54 -0.23 3.04 5.85 -1.95 -2.40 115.31 121.13 3fnf h LEU 46 Ca 0.24 -0.21 -0.22 0.00 0.84 0.00 0.00 57.88 58.54 3fnf h LEU 46 Cb 0.11 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.99 3fnf h LEU 46 CO -0.03 0.82 -0.83 0.40 -0.34 0.00 0.00 178.44 178.46 3fnf h ILE 47 N 0.45 1.34 -0.57 4.05 2.04 -1.02 -1.83 117.51 121.97 3fnf h ILE 47 Ca 0.05 -2.18 -0.02 0.00 1.00 0.00 0.00 64.86 63.71 3fnf h ILE 47 Cb 0.77 2.18 -0.03 0.00 -0.74 0.00 0.00 36.82 39.00 3fnf h ILE 47 CO 0.06 0.67 0.26 -0.61 0.00 0.00 0.00 178.15 178.53 3fnf h GLN 48 N 0.36 0.83 -0.54 2.37 5.75 -1.10 0.35 115.11 123.13 3fnf h GLN 48 Ca -0.06 -0.13 0.11 0.00 -0.15 0.00 0.00 58.65 58.42 3fnf h GLN 48 Cb 1.45 -0.15 -0.11 0.00 1.07 0.00 0.00 27.48 29.75 3fnf h GLN 48 CO 0.15 0.69 -0.17 -0.09 -2.65 0.00 0.00 178.83 176.76 3fnf h ARG 49 N 0.78 -0.04 -0.31 1.69 1.12 -1.30 -1.14 114.38 115.18 3fnf h ARG 49 Ca 0.19 0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 59.02 3fnf h ARG 49 Cb 0.14 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.10 3fnf h ARG 49 CO -0.02 -0.03 -0.01 0.82 -3.11 0.00 0.00 179.97 177.61 3fnf h ILE 50 N -0.05 1.26 0.00 1.20 1.08 -0.48 -3.14 117.51 117.38 3fnf h ILE 50 Ca 0.26 -0.98 0.00 0.00 -0.39 0.00 0.00 64.86 63.75 3fnf h ILE 50 Cb 0.44 1.29 0.00 0.00 -3.07 0.00 0.00 36.82 35.48 3fnf h ILE 50 CO -0.58 0.32 0.00 0.35 -0.69 0.00 0.00 178.15 177.55 3fnf n THR 51 N -4.54 0.10 0.41 -0.27 -2.24 0.12 -1.75 114.28 106.10 3fnf n THR 51 Ca -0.03 0.03 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 3fnf n THR 51 Cb 0.27 -0.60 0.34 0.00 -2.10 0.00 0.00 70.33 68.25 3fnf n THR 51 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3fnf h ASP 52 N 0.00 0.00 0.14 3.42 3.32 -1.17 -3.06 116.42 119.07 3fnf h ASP 52 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fnf h ASP 52 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3fnf h ASP 52 CO 0.00 0.00 -0.03 0.54 -1.72 0.00 0.00 179.24 178.03 3fnf n ARG 53 N -2.68 1.02 -1.85 3.56 1.74 -0.72 -4.85 116.66 112.88 3fnf n ARG 53 Ca 0.04 -0.28 -0.31 0.00 -0.77 0.00 0.00 57.85 56.53 3fnf n ARG 53 Cb 0.44 -1.49 0.02 0.00 -1.02 0.00 0.00 32.46 30.40 3fnf n ARG 53 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3fnf s LEU 54 N -2.17 3.19 0.43 0.55 1.02 -1.16 -5.00 118.68 115.54 3fnf s LEU 54 Ca 0.39 1.41 0.10 0.00 0.02 0.00 0.00 54.13 56.05 3fnf s LEU 54 Cb 0.21 -4.42 0.95 0.00 0.02 0.00 0.00 46.19 42.95 3fnf s LEU 54 CO 0.40 -0.95 2.04 -0.65 0.02 0.00 0.00 176.35 177.21 3fnf h PRO 55 N -0.38 0.45 -4.97 1.29 0.11 -1.90 -3.45 132.00 123.16 3fnf h PRO 55 Ca -0.44 -0.03 -0.38 0.00 0.11 0.00 0.00 66.00 65.27 3fnf h PRO 55 Cb 1.20 -0.10 -0.14 0.00 0.11 0.00 0.00 31.00 32.06 3fnf h PRO 55 CO 0.62 0.30 -0.62 0.00 -0.21 0.00 0.00 178.00 178.09 3fnf s ALA 56 N -5.42 1.86 0.54 -0.75 0.00 -1.26 -5.14 121.76 111.59 3fnf s ALA 56 Ca -0.08 -1.90 -0.18 0.00 0.00 0.00 0.00 51.96 49.80 3fnf s ALA 56 Cb 0.18 0.94 -0.06 0.00 0.00 0.00 0.00 23.12 24.18 3fnf s ALA 56 CO 0.73 -0.42 1.05 -1.59 0.00 0.00 0.00 175.76 175.53 3fnf s LYS 57 N -4.00 3.53 -0.27 0.00 0.00 -1.26 -4.96 119.74 112.79 3fnf s LYS 57 Ca 0.37 1.28 -0.13 0.00 0.00 0.00 0.00 55.97 57.50 3fnf s LYS 57 Cb 0.08 -2.06 0.10 0.00 0.00 0.00 0.00 37.83 35.95 3fnf s LYS 57 CO 0.14 -0.64 0.63 0.00 0.00 0.00 0.00 175.35 175.47 3fnf s ALA 58 N -2.23 -1.80 0.44 0.59 0.00 -1.26 -4.64 121.76 112.86 3fnf s ALA 58 Ca 0.65 2.24 -0.24 0.00 0.00 0.00 0.00 51.96 54.62 3fnf s ALA 58 Cb -0.16 -1.50 -0.10 0.00 0.00 0.00 0.00 23.12 21.36 3fnf s ALA 58 CO 0.29 -0.59 1.08 -2.30 0.00 0.00 0.00 175.76 174.24 3fnf n PRO 59 N 4.80 1.47 -4.05 0.00 -0.02 -1.26 -4.73 135.00 131.21 3fnf n PRO 59 Ca -0.17 0.53 -0.33 0.00 -2.02 0.00 0.00 63.50 61.51 3fnf n PRO 59 Cb 0.54 -2.16 -0.15 0.00 -0.02 0.00 0.00 33.50 31.72 3fnf n PRO 59 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3fnf s LEU 60 N -1.06 3.02 -0.05 2.45 2.96 -1.26 -0.93 118.68 123.82 3fnf s LEU 60 Ca 0.64 -1.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 3fnf s LEU 60 Cb -0.53 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 3fnf s LEU 60 CO 0.56 -0.12 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.67 3fnf s LEU 61 N 1.22 3.33 0.11 -0.68 1.43 0.34 -4.96 118.68 119.46 3fnf s LEU 61 Ca -0.02 -0.00 -0.30 0.00 -1.03 0.00 0.00 54.13 52.77 3fnf s LEU 61 Cb -0.17 -1.80 -0.07 0.00 0.03 0.00 0.00 46.19 44.18 3fnf s LEU 61 CO -0.07 0.34 1.22 -0.70 0.23 0.00 0.00 176.35 177.37 3fnf s GLU 62 N -1.07 4.44 -0.24 1.70 2.12 -1.26 -0.45 118.70 123.94 3fnf s GLU 62 Ca 0.15 1.84 -0.02 0.00 0.36 0.00 0.00 54.97 57.29 3fnf s GLU 62 Cb -0.11 -3.30 0.13 0.00 0.26 0.00 0.00 34.13 31.11 3fnf s GLU 62 CO 0.04 -0.21 0.33 -1.17 -0.54 0.00 0.00 175.26 173.71 3fnf s LEU 63 N 0.58 -0.44 -0.31 2.70 2.96 0.19 -4.85 118.68 119.50 3fnf s LEU 63 Ca 0.57 -0.11 -0.14 0.00 -0.22 0.00 0.00 54.13 54.23 3fnf s LEU 63 Cb -0.31 0.82 -0.03 0.00 0.50 0.00 0.00 46.19 47.17 3fnf s LEU 63 CO 0.32 -0.33 0.34 -0.62 -1.32 0.00 0.00 176.35 174.75 3fnf s ASP 64 N 2.46 6.18 0.52 3.68 2.15 -1.26 -4.05 116.67 126.34 3fnf s ASP 64 Ca 0.10 -0.02 0.33 0.00 0.43 0.00 0.00 52.55 53.40 3fnf s ASP 64 Cb -0.15 -2.19 1.40 0.00 -0.30 0.00 0.00 42.92 41.68 3fnf s ASP 64 CO -0.19 -0.24 1.98 1.62 -0.17 0.00 0.00 175.17 178.16 3fnf h VAL 65 N 5.46 0.00 0.00 1.11 3.04 -1.97 -0.97 116.25 122.93 3fnf h VAL 65 Ca -0.31 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 64.95 3fnf h VAL 65 Cb 1.16 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 3fnf h VAL 65 CO 0.66 0.00 -0.64 1.56 -1.01 0.00 0.00 177.57 178.14 3fnf h GLN 66 N 0.00 0.00 -5.79 4.17 4.20 -1.92 -3.45 115.11 112.32 3fnf h GLN 66 Ca 0.00 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.11 3fnf h GLN 66 Cb 0.44 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.13 3fnf h GLN 66 CO 0.00 0.00 0.43 1.21 -0.67 0.00 0.00 178.83 179.80 3fnf s ASN 67 N -4.97 6.75 0.17 1.46 3.04 -0.37 -4.96 114.94 116.06 3fnf s ASN 67 Ca 0.04 0.85 0.08 0.00 0.04 0.00 0.00 52.86 53.88 3fnf s ASN 67 Cb 0.11 -2.42 -0.05 0.00 -1.54 0.00 0.00 41.25 37.35 3fnf s ASN 67 CO 0.73 -0.56 1.38 -0.08 -3.04 0.00 0.00 177.10 175.52 3fnf h GLU 68 N 7.90 0.00 0.00 0.43 4.81 -1.87 -3.01 114.58 122.84 3fnf h GLU 68 Ca -0.24 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.84 3fnf h GLU 68 Cb 1.09 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 3fnf h GLU 68 CO 0.88 0.88 -0.73 1.05 -0.73 0.00 0.00 179.01 180.36 3fnf h GLU 69 N 0.00 0.00 -0.55 1.92 4.11 -1.94 -1.93 114.58 116.19 3fnf h GLU 69 Ca -0.01 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.45 3fnf h GLU 69 Cb 1.57 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.79 3fnf h GLU 69 CO 0.11 0.73 0.32 0.45 0.07 0.00 0.00 179.01 180.70 3fnf h HIS 70 N 0.00 0.60 -0.67 2.06 3.86 -1.86 -2.41 115.15 116.74 3fnf h HIS 70 Ca -0.01 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.14 3fnf h HIS 70 Cb 1.32 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 29.57 3fnf h HIS 70 CO 0.00 0.34 0.10 -0.07 0.86 0.00 0.00 177.93 179.16 3fnf h LEU 71 N 0.64 1.07 -1.37 2.43 3.38 -1.38 -1.68 115.31 118.40 3fnf h LEU 71 Ca 0.22 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3fnf h LEU 71 Cb 0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3fnf h LEU 71 CO -0.11 1.06 -0.14 0.00 0.09 0.00 0.00 178.44 179.34 3fnf h ALA 72 N 1.05 1.48 0.00 1.53 0.00 -1.19 -3.18 119.26 118.95 3fnf h ALA 72 Ca 0.20 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 3fnf h ALA 72 Cb 0.46 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3fnf h ALA 72 CO 0.01 0.37 -1.66 -1.13 0.00 0.00 0.00 179.25 176.85 3fnf n SER 73 N -4.26 0.57 -0.27 0.00 3.41 -0.92 -4.57 113.62 107.58 3fnf n SER 73 Ca -0.01 0.25 -0.02 0.00 -0.26 0.00 0.00 58.87 58.83 3fnf n SER 73 Cb 0.28 0.63 0.01 0.00 -0.26 0.00 0.00 64.21 64.88 3fnf n SER 73 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3fnf n LEU 74 N -2.74 -0.49 -0.08 1.04 0.00 -0.64 -1.26 117.00 112.82 3fnf n LEU 74 Ca -0.12 1.22 -0.06 0.00 0.00 0.00 0.00 56.01 57.05 3fnf n LEU 74 Cb 0.83 -0.26 0.14 0.00 0.00 0.00 0.00 43.42 44.13 3fnf n LEU 74 CO 0.43 -1.08 0.78 0.00 0.00 0.00 0.00 177.39 177.52 3fnf h ALA 75 N 0.87 1.01 0.07 1.96 0.00 -1.79 0.86 119.26 122.24 3fnf h ALA 75 Ca 0.22 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3fnf h ALA 75 Cb 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3fnf h ALA 75 CO -0.69 0.59 -0.03 0.78 0.00 0.00 0.00 179.25 179.90 3fnf h GLY 76 N 0.98 -0.10 0.28 0.00 0.00 -1.48 -0.71 103.07 102.03 3fnf h GLY 76 Ca 0.11 0.04 0.10 0.00 0.00 0.00 0.00 47.33 47.57 3fnf h GLY 76 CO 0.04 -0.04 0.12 3.21 0.00 0.00 0.00 176.54 179.87 3fnf h ARG 77 N -0.45 0.25 -0.71 4.80 3.08 -1.09 -1.93 114.38 118.32 3fnf h ARG 77 Ca -0.01 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3fnf h ARG 77 Cb 0.39 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 3fnf h ARG 77 CO 0.02 0.16 0.36 0.28 -1.07 0.00 0.00 179.97 179.72 3fnf h VAL 78 N 0.25 1.23 0.00 2.04 2.07 -0.77 -2.22 116.25 118.85 3fnf h VAL 78 Ca 0.28 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 3fnf h VAL 78 Cb 0.39 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3fnf h VAL 78 CO -0.36 0.26 -0.32 0.71 0.02 0.00 0.00 177.57 177.89 3fnf h THR 79 N 0.99 1.02 -0.22 2.57 1.35 -0.62 -1.23 112.91 116.77 3fnf h THR 79 Ca 0.25 -1.17 -0.14 0.00 -0.55 0.00 0.00 66.41 64.80 3fnf h THR 79 Cb 0.09 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 3fnf h THR 79 CO -0.03 0.31 -0.46 -0.33 -0.25 0.00 0.00 175.52 174.76 3fnf h GLU 80 N 0.00 0.56 -0.41 4.72 5.08 -1.18 -0.06 114.58 123.28 3fnf h GLU 80 Ca -0.00 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.02 3fnf h GLU 80 Cb 0.64 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 3fnf h GLU 80 CO 0.04 0.90 0.13 0.00 -1.00 0.00 0.00 179.01 179.08 3fnf h ALA 81 N 1.05 0.54 0.00 3.43 0.00 -0.83 -3.28 119.26 120.18 3fnf h ALA 81 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3fnf h ALA 81 Cb 0.97 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3fnf h ALA 81 CO 0.09 0.18 -0.79 0.44 0.00 0.00 0.00 179.25 179.17 3fnf n ILE 82 N -4.59 0.01 0.00 0.00 -5.35 -0.52 -4.99 119.36 103.93 3fnf n ILE 82 Ca -0.00 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 3fnf n ILE 82 Cb 0.18 0.63 0.00 0.00 -1.74 0.00 0.00 39.64 38.70 3fnf n ILE 82 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fnf n GLY 83 N 1.49 0.66 3.70 3.28 0.00 -0.04 -4.73 105.19 109.56 3fnf n GLY 83 Ca 0.05 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 3fnf n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fnf n ALA 84 N 0.80 1.38 -0.62 4.61 0.00 -1.26 -2.31 120.51 123.12 3fnf n ALA 84 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3fnf n ALA 84 Cb 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.18 3fnf n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fnf n GLY 85 N 0.75 1.13 3.88 0.00 0.00 -1.26 -5.01 105.19 104.68 3fnf n GLY 85 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3fnf n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fnf s ASN 86 N -2.93 6.55 0.23 1.61 0.02 -0.98 -5.11 114.94 114.34 3fnf s ASN 86 Ca 0.00 0.68 0.05 0.00 -1.02 0.00 0.00 52.86 52.57 3fnf s ASN 86 Cb 0.00 -2.13 -0.05 0.00 0.02 0.00 0.00 41.25 39.09 3fnf s ASN 86 CO 0.00 0.11 -0.05 -0.54 0.02 0.00 0.00 177.10 176.63 3fnf s LYS 87 N -2.32 1.38 0.10 -0.60 -0.14 -1.26 -4.89 119.74 112.01 3fnf s LYS 87 Ca 0.37 -1.68 -0.24 0.00 -1.36 0.00 0.00 55.97 53.07 3fnf s LYS 87 Cb -0.13 -0.87 -0.07 0.00 -1.68 0.00 0.00 37.83 35.08 3fnf s LYS 87 CO 0.21 0.01 0.74 -0.51 -0.76 0.00 0.00 175.35 175.04 3fnf s LEU 88 N -3.34 4.52 0.04 3.17 1.43 0.24 -4.66 118.68 120.08 3fnf s LEU 88 Ca 0.27 1.49 0.22 0.00 -1.03 0.00 0.00 54.13 55.08 3fnf s LEU 88 Cb 0.04 -3.20 -0.09 0.00 0.03 0.00 0.00 46.19 42.97 3fnf s LEU 88 CO 0.09 0.14 0.88 0.47 0.23 0.00 0.00 176.35 178.15 3fnf n ASP 89 N 2.15 0.54 -3.63 2.29 8.00 0.87 -1.20 116.55 125.57 3fnf n ASP 89 Ca -0.05 -0.22 -0.16 0.00 0.71 0.00 0.00 54.79 55.07 3fnf n ASP 89 Cb 0.50 1.09 -0.07 0.00 -0.02 0.00 0.00 41.12 42.61 3fnf n ASP 89 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3fnf s GLY 90 N -3.84 -0.42 -0.03 0.44 0.00 -0.98 -1.46 107.32 101.03 3fnf s GLY 90 Ca 0.01 1.11 -0.00 0.00 0.00 0.00 0.00 44.72 45.83 3fnf s GLY 90 CO 0.84 0.82 0.02 0.14 0.00 0.00 0.00 173.10 174.92 3fnf s VAL 91 N -0.86 0.07 -0.20 1.40 1.01 -0.02 -1.17 120.40 120.63 3fnf s VAL 91 Ca -0.09 0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 3fnf s VAL 91 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 3fnf s VAL 91 CO 0.06 0.15 -0.08 -0.69 0.00 0.00 0.00 175.10 174.54 3fnf s VAL 92 N 1.35 3.13 -0.36 2.92 1.01 0.17 -0.90 120.40 127.72 3fnf s VAL 92 Ca -0.05 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.24 3fnf s VAL 92 Cb -0.13 -2.40 0.02 0.00 0.00 0.00 0.00 36.38 33.87 3fnf s VAL 92 CO -0.03 0.46 0.19 -2.28 0.00 0.00 0.00 175.10 173.43 3fnf s HIS 93 N 1.28 3.23 -0.34 5.22 5.04 0.69 -1.13 115.29 129.28 3fnf s HIS 93 Ca 0.03 -0.92 0.16 0.00 -1.54 0.00 0.00 55.06 52.80 3fnf s HIS 93 Cb -0.14 -2.41 0.45 0.00 0.04 0.00 0.00 32.58 30.52 3fnf s HIS 93 CO -0.04 -0.61 0.96 0.45 -2.34 0.00 0.00 174.74 173.16 3fnf n SER 94 N 4.98 1.84 -4.30 9.88 2.88 -1.25 -2.14 113.62 125.51 3fnf n SER 94 Ca -0.12 -2.85 -0.27 0.00 -1.33 0.00 0.00 58.87 54.29 3fnf n SER 94 Cb 0.47 -0.52 -0.14 0.00 -0.75 0.00 0.00 64.21 63.26 3fnf n SER 94 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 3fnf s ILE 95 N -3.40 1.89 -0.10 2.46 -4.36 -1.26 -4.31 121.20 112.11 3fnf s ILE 95 Ca 0.30 -1.34 -0.30 0.00 -0.26 0.00 0.00 60.65 59.05 3fnf s ILE 95 Cb 0.45 -1.64 0.11 0.00 1.25 0.00 0.00 42.46 42.63 3fnf s ILE 95 CO 0.01 0.23 0.91 -0.83 0.24 0.00 0.00 174.94 175.49 3fnf s GLY 96 N -1.33 -0.38 -0.28 6.27 0.00 -1.26 -4.69 107.32 105.65 3fnf s GLY 96 Ca 0.09 1.66 -0.24 0.00 0.00 0.00 0.00 44.72 46.24 3fnf s GLY 96 CO 0.02 0.86 0.97 -0.12 0.00 0.00 0.00 173.10 174.83 3fnf s PHE 97 N -1.58 -0.55 -0.03 1.90 5.36 -1.26 -4.95 117.98 116.86 3fnf s PHE 97 Ca -0.02 1.30 -0.01 0.00 -0.96 0.00 0.00 56.93 57.24 3fnf s PHE 97 Cb -0.00 0.36 0.03 0.00 -0.34 0.00 0.00 43.02 43.07 3fnf s PHE 97 CO 0.01 -0.27 0.06 1.41 -1.46 0.00 0.00 175.22 174.97 3fnf s MET 98 N 0.44 -0.01 0.61 10.12 -2.45 -1.26 -4.05 119.30 122.69 3fnf s MET 98 Ca 0.01 0.25 -0.18 0.00 -1.25 0.00 0.00 55.69 54.52 3fnf s MET 98 Cb -0.05 -0.25 -0.07 0.00 1.25 0.00 0.00 34.83 35.71 3fnf s MET 98 CO -0.07 -0.18 0.58 -2.30 1.05 0.00 0.00 175.02 174.10 3fnf n PRO 99 N 4.28 0.52 0.19 4.11 -0.02 -1.26 -4.86 135.00 137.96 3fnf n PRO 99 Ca -0.26 0.21 0.05 0.00 -2.02 0.00 0.00 63.50 61.48 3fnf n PRO 99 Cb 0.50 -1.79 0.50 0.00 -0.02 0.00 0.00 33.50 32.70 3fnf n PRO 99 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3fnf h GLN 100 N 0.14 0.09 -1.12 -0.52 4.15 -1.98 -0.38 115.11 115.49 3fnf h GLN 100 Ca -0.46 -0.01 0.31 0.00 0.77 0.00 0.00 58.65 59.26 3fnf h GLN 100 Cb 1.38 -0.02 -0.08 0.00 0.21 0.00 0.00 27.48 28.98 3fnf h GLN 100 CO 0.46 0.20 0.75 1.15 -1.93 0.00 0.00 178.83 179.47 3fnf h THR 101 N 0.09 0.44 -0.45 2.39 2.02 -1.96 -1.77 112.91 113.67 3fnf h THR 101 Ca 0.02 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3fnf h THR 101 Cb 0.23 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 3fnf h THR 101 CO 0.01 0.04 0.00 0.61 0.37 0.00 0.00 175.52 176.56 3fnf n GLY 102 N -1.58 1.89 3.25 2.16 0.00 -0.15 -4.15 105.19 106.61 3fnf n GLY 102 Ca 0.27 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 3fnf n GLY 102 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3fnf s MET 103 N -1.74 0.93 6.25 1.61 1.00 -0.67 -0.97 119.30 125.72 3fnf s MET 103 Ca 0.35 -0.99 0.00 0.00 0.00 0.00 0.00 55.69 55.05 3fnf s MET 103 Cb 0.22 0.36 0.00 0.00 0.00 0.00 0.00 34.83 35.42 3fnf s MET 103 CO 0.17 -0.32 0.00 0.41 0.00 0.00 0.00 175.02 175.28 3fnf n GLY 104 N -0.11 1.69 0.08 -0.03 0.00 0.29 -2.91 105.19 104.19 3fnf n GLY 104 Ca -0.13 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3fnf n GLY 104 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3fnf n ILE 105 N 0.00 0.95 -1.67 -0.61 3.06 -1.26 -4.11 119.36 115.72 3fnf n ILE 105 Ca 0.00 -0.69 -0.47 0.00 -2.50 0.00 0.00 62.75 59.09 3fnf n ILE 105 Cb 0.00 -0.48 -0.04 0.00 0.54 0.00 0.00 39.64 39.65 3fnf n ILE 105 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 3fnf n ASN 106 N -2.70 3.14 -4.57 9.51 2.85 -1.15 -4.85 115.26 117.49 3fnf n ASN 106 Ca -0.14 1.05 -0.55 0.00 -0.11 0.00 0.00 54.58 54.83 3fnf n ASN 106 Cb 0.85 -1.39 -0.07 0.00 1.24 0.00 0.00 39.78 40.41 3fnf n ASN 106 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3fnf n PRO 107 N 4.47 0.77 -0.32 1.20 -0.02 -1.26 -4.65 135.00 135.18 3fnf n PRO 107 Ca 0.19 0.28 0.11 0.00 -2.02 0.00 0.00 63.50 62.06 3fnf n PRO 107 Cb 0.28 -1.88 0.24 0.00 -0.02 0.00 0.00 33.50 32.13 3fnf n PRO 107 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3fnf h PHE 108 N 4.25 -0.10 0.00 6.00 3.57 -1.89 0.35 116.94 129.12 3fnf h PHE 108 Ca -0.49 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.08 3fnf h PHE 108 Cb 1.36 0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.30 3fnf h PHE 108 CO 0.60 -0.38 0.00 1.19 -2.23 0.00 0.00 178.31 177.49 3fnf n PHE 109 N -5.47 0.45 1.37 0.41 3.72 -1.26 -3.15 117.46 113.52 3fnf n PHE 109 Ca 0.20 0.15 0.13 0.00 -0.05 0.00 0.00 57.45 57.89 3fnf n PHE 109 Cb 0.66 -0.75 0.45 0.00 -0.94 0.00 0.00 39.48 38.90 3fnf n PHE 109 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3fnf n ASP 110 N -1.89 1.72 -4.63 4.37 8.00 0.11 -4.84 116.55 119.39 3fnf n ASP 110 Ca 0.04 -1.60 -0.43 0.00 0.71 0.00 0.00 54.79 53.51 3fnf n ASP 110 Cb 0.28 -0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.33 3fnf n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fnf s ALA 111 N -1.94 3.40 0.61 2.24 0.00 -1.19 -5.02 121.76 119.86 3fnf s ALA 111 Ca 0.36 0.12 -0.19 0.00 0.00 0.00 0.00 51.96 52.25 3fnf s ALA 111 Cb 0.20 -3.76 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 3fnf s ALA 111 CO 0.32 -1.70 1.28 -2.14 0.00 0.00 0.00 175.76 173.51 3fnf s PRO 112 N 4.08 2.80 0.39 0.00 0.02 -1.26 -4.87 135.00 136.16 3fnf s PRO 112 Ca 0.55 2.02 0.06 0.00 0.02 0.00 0.00 61.00 63.66 3fnf s PRO 112 Cb -0.17 -1.95 0.78 0.00 0.02 0.00 0.00 34.50 33.18 3fnf s PRO 112 CO 0.22 -1.39 2.00 -0.92 -0.33 0.00 0.00 177.00 176.58 3fnf h TYR 113 N 0.84 0.51 -0.89 6.54 3.20 -1.99 -2.50 116.97 122.69 3fnf h TYR 113 Ca -0.51 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.48 3fnf h TYR 113 Cb 1.32 -0.17 -0.09 0.00 1.54 0.00 0.00 36.73 39.34 3fnf h TYR 113 CO 0.44 0.39 0.51 0.00 -1.64 0.00 0.00 178.16 177.86 3fnf h ALA 114 N 1.67 1.33 -0.05 1.82 0.00 -1.98 0.59 119.26 122.64 3fnf h ALA 114 Ca 0.13 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3fnf h ALA 114 Cb 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3fnf h ALA 114 CO -0.02 0.05 -0.03 -0.44 0.00 0.00 0.00 179.25 178.81 3fnf h ASP 115 N 0.77 0.12 -0.56 0.00 3.32 -1.83 -1.43 116.42 116.81 3fnf h ASP 115 Ca 0.46 -0.42 0.04 0.00 0.02 0.00 0.00 57.03 57.13 3fnf h ASP 115 Cb 0.54 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.01 3fnf h ASP 115 CO -0.30 0.51 0.30 0.58 -1.72 0.00 0.00 179.24 178.61 3fnf h VAL 116 N -0.27 0.98 -0.53 -1.35 2.07 -1.18 -1.89 116.25 114.06 3fnf h VAL 116 Ca 0.01 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 3fnf h VAL 116 Cb 0.47 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3fnf h VAL 116 CO 0.01 0.11 -0.03 -1.28 0.02 0.00 0.00 177.57 176.40 3fnf h SER 117 N 0.58 0.91 -0.12 0.57 0.87 0.21 -1.12 113.55 115.46 3fnf h SER 117 Ca 0.24 -0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3fnf h SER 117 Cb 0.13 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 3fnf h SER 117 CO -0.15 0.98 0.07 0.50 -0.53 0.00 0.00 176.83 177.70 3fnf h LYS 118 N 0.85 0.16 -0.76 2.24 3.64 -0.96 -0.51 116.57 121.23 3fnf h LYS 118 Ca 0.15 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.55 3fnf h LYS 118 Cb 0.54 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 3fnf h LYS 118 CO 0.03 0.13 0.50 0.78 -2.27 0.00 0.00 179.45 178.63 3fnf h GLY 119 N 0.13 1.06 0.93 5.01 0.00 -1.14 -1.70 103.07 107.36 3fnf h GLY 119 Ca 0.04 -0.37 -0.15 0.00 0.00 0.00 0.00 47.33 46.86 3fnf h GLY 119 CO -0.01 0.32 -0.48 -2.22 0.00 0.00 0.00 176.54 174.15 3fnf h ILE 120 N 0.93 1.34 -0.16 2.60 2.04 -1.07 0.31 117.51 123.50 3fnf h ILE 120 Ca 0.30 -1.75 0.05 0.00 1.00 0.00 0.00 64.86 64.46 3fnf h ILE 120 Cb 0.05 2.03 -0.05 0.00 -0.74 0.00 0.00 36.82 38.11 3fnf h ILE 120 CO -0.09 0.53 -0.15 -0.74 0.00 0.00 0.00 178.15 177.71 3fnf h HIS 121 N 0.23 -0.39 -0.12 1.37 2.76 -0.90 0.15 115.15 118.25 3fnf h HIS 121 Ca -0.02 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.08 3fnf h HIS 121 Cb 1.10 0.20 0.00 0.00 1.55 0.00 0.00 27.41 30.26 3fnf h HIS 121 CO 0.10 -0.22 -0.31 0.82 -1.30 0.00 0.00 177.93 177.02 3fnf h ILE 122 N -0.18 1.38 0.00 6.26 2.04 -1.34 -2.07 117.51 123.60 3fnf h ILE 122 Ca 0.10 -1.61 -0.15 0.00 1.00 0.00 0.00 64.86 64.21 3fnf h ILE 122 Cb 0.33 2.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 3fnf h ILE 122 CO -0.26 0.48 -1.15 0.28 0.00 0.00 0.00 178.15 177.49 3fnf h SER 123 N 0.02 0.00 0.00 1.72 0.02 -0.34 -3.40 113.55 111.57 3fnf h SER 123 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fnf h SER 123 Cb 0.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.46 3fnf h SER 123 CO 0.07 0.54 -0.80 0.00 -1.14 0.00 0.00 176.83 175.50 3fnf n ALA 124 N -2.34 2.91 -0.11 3.77 0.00 0.39 -4.79 120.51 120.35 3fnf n ALA 124 Ca -0.06 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.31 3fnf n ALA 124 Cb 0.80 0.40 0.09 0.00 0.00 0.00 0.00 19.45 20.74 3fnf n ALA 124 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3fnf h TYR 125 N 0.00 0.92 0.00 0.00 5.03 -1.19 -2.86 116.97 118.87 3fnf h TYR 125 Ca 0.00 -0.19 -0.00 0.00 2.58 0.00 0.00 58.73 61.12 3fnf h TYR 125 Cb 0.80 -0.23 -0.00 0.00 1.55 0.00 0.00 36.73 38.86 3fnf h TYR 125 CO 0.00 0.92 -0.00 0.66 -1.32 0.00 0.00 178.16 178.42 3fnf h SER 126 N 0.73 0.00 -0.26 -2.11 4.64 -1.59 0.21 113.55 115.17 3fnf h SER 126 Ca 0.11 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.33 3fnf h SER 126 Cb 0.67 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.75 3fnf h SER 126 CO 0.05 0.00 -0.18 0.22 -0.87 0.00 0.00 176.83 176.05 3fnf h TYR 127 N 0.00 0.79 -0.25 4.77 3.20 -1.80 -0.57 116.97 123.11 3fnf h TYR 127 Ca -0.00 -0.16 -0.13 0.00 3.14 0.00 0.00 58.73 61.58 3fnf h TYR 127 Cb 0.01 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.08 3fnf h TYR 127 CO 0.00 0.84 -0.35 0.00 -1.64 0.00 0.00 178.16 177.01 3fnf h ALA 128 N 1.17 0.38 -0.01 1.82 0.00 -0.73 -2.58 119.26 119.31 3fnf h ALA 128 Ca 0.10 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 3fnf h ALA 128 Cb 0.65 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3fnf h ALA 128 CO 0.05 0.44 -0.63 0.66 0.00 0.00 0.00 179.25 179.77 3fnf h SER 129 N 0.40 0.05 -0.21 0.00 4.64 -1.23 -0.37 113.55 116.84 3fnf h SER 129 Ca 0.03 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3fnf h SER 129 Cb 0.94 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 3fnf h SER 129 CO 0.08 0.67 0.06 0.24 -0.87 0.00 0.00 176.83 177.01 3fnf h MET 130 N 0.03 0.32 -0.74 4.77 2.07 -1.17 -0.88 114.93 119.33 3fnf h MET 130 Ca -0.01 -0.07 0.07 0.00 -2.07 0.00 0.00 59.70 57.62 3fnf h MET 130 Cb 1.12 -0.05 -0.06 0.00 -1.87 0.00 0.00 31.60 30.74 3fnf h MET 130 CO 0.09 0.43 0.42 0.00 1.07 0.00 0.00 176.91 178.92 3fnf h ALA 131 N 0.88 1.01 0.70 6.32 0.00 -1.33 0.87 119.26 127.71 3fnf h ALA 131 Ca 0.07 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3fnf h ALA 131 Cb 0.24 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3fnf h ALA 131 CO -0.00 0.10 -0.41 -0.22 0.00 0.00 0.00 179.25 178.72 3fnf h LYS 132 N 0.76 -0.99 -1.00 0.00 3.64 -0.94 0.28 116.57 118.31 3fnf h LYS 132 Ca 0.34 0.07 0.23 0.00 -1.27 0.00 0.00 60.65 60.02 3fnf h LYS 132 Cb 0.23 0.22 -0.10 0.00 -0.41 0.00 0.00 32.23 32.18 3fnf h LYS 132 CO -0.20 -0.66 0.63 0.00 -2.27 0.00 0.00 179.45 176.95 3fnf h ALA 133 N -1.34 2.01 0.00 5.00 0.00 -1.03 -3.34 119.26 120.56 3fnf h ALA 133 Ca -0.09 0.07 -0.37 0.00 0.00 0.00 0.00 54.91 54.52 3fnf h ALA 133 Cb 0.82 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 3fnf h ALA 133 CO 0.11 -0.40 -2.38 1.28 0.00 0.00 0.00 179.25 177.86 3fnf n LEU 134 N -4.68 0.91 -0.30 0.00 4.77 0.29 -4.49 117.00 113.50 3fnf n LEU 134 Ca 0.24 -0.04 0.25 0.00 -0.03 0.00 0.00 56.01 56.42 3fnf n LEU 134 Cb 0.75 0.07 0.57 0.00 -2.33 0.00 0.00 43.42 42.47 3fnf n LEU 134 CO 0.24 0.62 1.24 -0.07 -1.33 0.00 0.00 177.39 178.09 3fnf h LEU 135 N 0.00 0.33 -1.37 2.23 3.38 -1.06 -0.23 115.31 118.59 3fnf h LEU 135 Ca -0.54 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3fnf h LEU 135 Cb 2.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.86 3fnf h LEU 135 CO -0.01 0.08 0.00 -0.65 0.09 0.00 0.00 178.44 177.95 3fnf h PRO 136 N 0.30 0.00 -0.32 1.13 0.11 -1.79 -2.36 132.00 129.06 3fnf h PRO 136 Ca 0.55 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.63 3fnf h PRO 136 Cb 1.59 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.67 3fnf h PRO 136 CO -0.20 0.00 0.01 0.44 -0.21 0.00 0.00 178.00 178.04 3fnf n ILE 137 N -2.59 2.40 -4.02 4.15 -5.35 -0.11 -5.01 119.36 108.83 3fnf n ILE 137 Ca 0.00 -1.93 -0.31 0.00 -0.27 0.00 0.00 62.75 60.24 3fnf n ILE 137 Cb 0.19 -0.27 -0.06 0.00 -1.74 0.00 0.00 39.64 37.76 3fnf n ILE 137 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 3fnf s MET 138 N -2.89 3.04 0.38 6.28 -1.94 -0.89 -0.59 119.30 122.68 3fnf s MET 138 Ca 0.44 -0.61 -0.24 0.00 -1.71 0.00 0.00 55.69 53.57 3fnf s MET 138 Cb 0.36 -2.82 -0.10 0.00 2.01 0.00 0.00 34.83 34.28 3fnf s MET 138 CO 0.09 0.58 0.96 -0.80 -0.01 0.00 0.00 175.02 175.84 3fnf s ASN 139 N -2.36 7.10 0.66 3.03 0.01 -0.34 -4.89 114.94 118.15 3fnf s ASN 139 Ca 0.30 1.81 -0.17 0.00 -0.71 0.00 0.00 52.86 54.09 3fnf s ASN 139 Cb -0.12 -2.57 -0.00 0.00 0.41 0.00 0.00 41.25 38.97 3fnf s ASN 139 CO 0.23 -0.25 1.27 -2.16 -1.51 0.00 0.00 177.10 174.68 3fnf s PRO 140 N -2.54 2.49 0.00 -0.60 0.04 -1.24 -1.15 135.00 132.00 3fnf s PRO 140 Ca 0.56 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.57 3fnf s PRO 140 Cb -0.16 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3fnf s PRO 140 CO 0.20 -1.62 0.00 0.41 0.04 0.00 0.00 177.00 176.03 3fnf n GLY 141 N 0.75 2.39 3.32 0.56 0.00 0.63 -4.96 105.19 107.88 3fnf n GLY 141 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 3fnf n GLY 141 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fnf s GLY 142 N -1.90 1.42 -0.22 -0.02 0.00 -0.30 -4.77 107.32 101.54 3fnf s GLY 142 Ca 0.00 -0.89 -0.11 0.00 0.00 0.00 0.00 44.72 43.72 3fnf s GLY 142 CO 0.00 0.13 0.52 -0.45 0.00 0.00 0.00 173.10 173.30 3fnf s SER 143 N -3.29 -0.66 -0.07 1.64 0.15 -0.54 -1.59 113.70 109.34 3fnf s SER 143 Ca 0.69 1.16 0.03 0.00 0.70 0.00 0.00 55.95 58.54 3fnf s SER 143 Cb -0.12 1.21 -0.02 0.00 -1.71 0.00 0.00 66.02 65.38 3fnf s SER 143 CO 0.57 -0.22 -0.16 -0.63 1.20 0.00 0.00 173.24 174.00 3fnf s ILE 144 N 1.83 2.86 -0.03 6.45 1.01 0.26 -0.84 121.20 132.75 3fnf s ILE 144 Ca -0.08 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.80 3fnf s ILE 144 Cb -0.08 -2.13 0.03 0.00 0.01 0.00 0.00 42.46 40.29 3fnf s ILE 144 CO -0.16 0.57 0.01 -0.69 0.00 0.00 0.00 174.94 174.67 3fnf s VAL 145 N -0.36 0.15 0.34 2.92 1.01 -0.08 -1.42 120.40 122.96 3fnf s VAL 145 Ca 0.03 0.12 0.09 0.00 0.00 0.00 0.00 61.98 62.22 3fnf s VAL 145 Cb -0.12 -0.26 -0.06 0.00 0.00 0.00 0.00 36.38 35.94 3fnf s VAL 145 CO 0.02 0.15 -0.00 -0.83 0.00 0.00 0.00 175.10 174.44 3fnf s GLY 146 N 1.12 2.11 -0.17 4.51 0.00 -0.09 -0.22 107.32 114.58 3fnf s GLY 146 Ca -0.08 -1.99 -0.08 0.00 0.00 0.00 0.00 44.72 42.56 3fnf s GLY 146 CO -0.02 -1.93 0.12 1.06 0.00 0.00 0.00 173.10 172.33 3fnf s MET 147 N -3.70 3.90 0.27 2.90 -1.94 -0.91 -0.58 119.30 119.23 3fnf s MET 147 Ca 0.35 -0.22 0.08 0.00 -1.71 0.00 0.00 55.69 54.19 3fnf s MET 147 Cb 0.01 -3.30 -0.05 0.00 2.01 0.00 0.00 34.83 33.49 3fnf s MET 147 CO 0.19 0.45 -0.12 0.34 -0.01 0.00 0.00 175.02 175.87 3fnf s ASP 148 N -0.09 3.00 -0.07 3.03 2.15 0.16 -4.87 116.67 119.98 3fnf s ASP 148 Ca 0.09 -1.11 -0.02 0.00 0.43 0.00 0.00 52.55 51.94 3fnf s ASP 148 Cb -0.11 -0.21 0.04 0.00 -0.30 0.00 0.00 42.92 42.33 3fnf s ASP 148 CO 0.00 -0.20 0.05 0.12 -0.17 0.00 0.00 175.17 174.97 3fnf s PHE 149 N -2.85 0.27 -0.67 -5.34 5.36 -1.26 -1.53 117.98 111.96 3fnf s PHE 149 Ca 0.28 0.03 -0.33 0.00 -0.96 0.00 0.00 56.93 55.94 3fnf s PHE 149 Cb 0.01 -0.61 -0.16 0.00 -0.34 0.00 0.00 43.02 41.91 3fnf s PHE 149 CO 0.12 -0.29 2.44 -3.47 -1.46 0.00 0.00 175.22 172.55 3fnf n ASP 150 N 5.25 1.16 -1.38 6.13 2.03 -1.26 -4.86 116.55 123.61 3fnf n ASP 150 Ca -0.05 0.19 0.10 0.00 0.52 0.00 0.00 54.79 55.55 3fnf n ASP 150 Cb 0.50 -1.12 0.32 0.00 -0.72 0.00 0.00 41.12 40.10 3fnf n ASP 150 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3fnf n PRO 151 N 8.35 3.06 0.05 -0.67 -0.04 -1.26 -4.52 135.00 139.97 3fnf n PRO 151 Ca 0.53 -2.56 0.19 0.00 -0.04 0.00 0.00 63.50 61.62 3fnf n PRO 151 Cb 0.16 -1.69 0.70 0.00 -0.04 0.00 0.00 33.50 32.63 3fnf n PRO 151 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3fnf h SER 152 N 3.91 0.00 -4.34 3.54 4.64 -1.94 -3.41 113.55 115.94 3fnf h SER 152 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 3fnf h SER 152 Cb 1.14 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.96 3fnf h SER 152 CO 0.11 0.00 -0.85 -0.13 -0.87 0.00 0.00 176.83 175.09 3fnf s ARG 153 N -4.96 1.57 0.78 4.77 1.81 -1.26 -5.14 118.95 116.51 3fnf s ARG 153 Ca -0.05 -0.90 -0.13 0.00 -1.72 0.00 0.00 55.73 52.93 3fnf s ARG 153 Cb 0.19 -1.63 0.07 0.00 -0.45 0.00 0.00 34.95 33.12 3fnf s ARG 153 CO 0.70 0.43 1.16 0.00 -0.68 0.00 0.00 175.30 176.90 3fnf s ALA 154 N -0.69 2.01 0.10 2.13 0.00 -1.26 -5.06 121.76 118.99 3fnf s ALA 154 Ca 0.08 0.66 -0.25 0.00 0.00 0.00 0.00 51.96 52.45 3fnf s ALA 154 Cb -0.09 -3.41 0.07 0.00 0.00 0.00 0.00 23.12 19.69 3fnf s ALA 154 CO 0.01 -2.02 0.64 0.00 0.00 0.00 0.00 175.76 174.39 3fnf s MET 155 N -4.29 1.20 0.70 0.00 0.23 -1.26 -5.16 119.30 110.72 3fnf s MET 155 Ca 0.69 -0.28 -0.16 0.00 -1.03 0.00 0.00 55.69 54.91 3fnf s MET 155 Cb -0.24 0.56 0.02 0.00 -1.53 0.00 0.00 34.83 33.63 3fnf s MET 155 CO 0.50 -0.49 1.22 -1.25 -2.03 0.00 0.00 175.02 172.96 3fnf s PRO 156 N -3.09 2.33 0.00 3.16 0.04 -1.26 -4.18 135.00 132.01 3fnf s PRO 156 Ca -0.02 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.83 3fnf s PRO 156 Cb -0.01 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.68 3fnf s PRO 156 CO -0.07 -1.70 0.00 0.00 0.04 0.00 0.00 177.00 175.27 3fnf n ALA 157 N -2.43 0.00 0.15 8.56 0.00 -1.26 -4.55 120.51 120.98 3fnf n ALA 157 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.60 3fnf n ALA 157 Cb 0.50 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.32 3fnf n ALA 157 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3fnf h TYR 158 N 0.00 0.13 0.00 0.00 -0.00 -1.88 0.82 116.97 116.05 3fnf h TYR 158 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.71 3fnf h TYR 158 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 36.73 36.69 3fnf h TYR 158 CO 0.00 0.37 0.00 0.09 -0.00 0.00 0.00 178.16 178.62 3fnf n ASN 159 N -4.19 0.00 0.11 -2.11 3.02 -1.26 -1.29 115.26 109.53 3fnf n ASN 159 Ca -0.01 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.66 3fnf n ASN 159 Cb 0.34 0.00 0.41 0.00 -0.61 0.00 0.00 39.78 39.92 3fnf n ASN 159 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 3fnf n TRP 160 N 3.08 0.93 -0.22 3.10 7.02 -0.14 -2.15 117.44 129.07 3fnf n TRP 160 Ca 0.00 0.28 -0.07 0.00 -1.02 0.00 0.00 57.50 56.69 3fnf n TRP 160 Cb 0.00 -0.96 0.07 0.00 -2.42 0.00 0.00 31.31 28.01 3fnf n TRP 160 CO 0.00 0.00 0.00 0.52 -2.02 0.00 0.00 177.69 176.19 3fnf h MET 161 N 0.00 1.06 -0.69 -0.99 2.86 -1.34 -2.09 114.93 113.74 3fnf h MET 161 Ca 0.00 -0.27 0.14 0.00 -2.06 0.00 0.00 59.70 57.51 3fnf h MET 161 Cb 0.70 -0.13 -0.10 0.00 0.06 0.00 0.00 31.60 32.13 3fnf h MET 161 CO 0.00 0.97 0.17 1.15 1.06 0.00 0.00 176.91 180.26 3fnf h THR 162 N 1.00 0.58 -0.52 2.22 2.02 -1.36 0.26 112.91 117.10 3fnf h THR 162 Ca 0.20 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 3fnf h THR 162 Cb 0.42 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3fnf h THR 162 CO 0.01 0.05 0.22 0.58 0.37 0.00 0.00 175.52 176.76 3fnf h VAL 163 N 0.29 1.21 -0.40 3.16 2.07 -1.52 -0.91 116.25 120.15 3fnf h VAL 163 Ca 0.38 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3fnf h VAL 163 Cb 0.60 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3fnf h VAL 163 CO -0.46 0.24 0.20 0.00 0.02 0.00 0.00 177.57 177.58 3fnf h ALA 164 N 1.07 1.61 -0.09 1.67 0.00 -0.43 -0.94 119.26 122.15 3fnf h ALA 164 Ca 0.18 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 3fnf h ALA 164 Cb 0.17 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.81 3fnf h ALA 164 CO -0.02 0.32 -0.78 0.87 0.00 0.00 0.00 179.25 179.64 3fnf h LYS 165 N 0.55 0.68 -0.49 0.00 1.79 0.05 -0.66 116.57 118.49 3fnf h LYS 165 Ca 0.14 -0.62 0.05 0.00 -2.18 0.00 0.00 60.65 58.04 3fnf h LYS 165 Cb 0.05 0.15 -0.05 0.00 -1.58 0.00 0.00 32.23 30.80 3fnf h LYS 165 CO -0.02 1.23 0.22 0.77 -1.08 0.00 0.00 179.45 180.57 3fnf h SER 166 N 0.36 0.29 -0.39 0.86 0.02 -0.79 -0.22 113.55 113.68 3fnf h SER 166 Ca -0.07 0.04 0.07 0.00 -0.84 0.00 0.00 61.79 60.98 3fnf h SER 166 Cb 1.43 -0.01 -0.06 0.00 0.14 0.00 0.00 62.40 63.90 3fnf h SER 166 CO 0.16 0.21 0.03 0.00 -1.14 0.00 0.00 176.83 176.08 3fnf h ALA 167 N 1.29 0.38 -0.58 3.77 0.00 -1.07 -2.43 119.26 120.62 3fnf h ALA 167 Ca 0.22 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.28 3fnf h ALA 167 Cb 0.17 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3fnf h ALA 167 CO -0.18 -0.37 0.32 1.25 0.00 0.00 0.00 179.25 180.27 3fnf h LEU 168 N 0.14 0.48 -1.16 0.00 6.46 -0.33 -0.57 115.31 120.32 3fnf h LEU 168 Ca 0.19 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 58.01 3fnf h LEU 168 Cb 0.26 -0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 40.06 3fnf h LEU 168 CO -0.30 0.33 0.58 -0.33 -0.62 0.00 0.00 178.44 178.10 3fnf h GLU 169 N 0.62 1.05 -0.18 1.25 5.08 -0.80 0.16 114.58 121.75 3fnf h GLU 169 Ca 0.25 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 3fnf h GLU 169 Cb 0.13 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 3fnf h GLU 169 CO -0.15 0.69 -0.15 1.03 -1.00 0.00 0.00 179.01 179.43 3fnf h SER 170 N 1.08 0.45 -0.50 1.42 0.87 -0.84 -3.15 113.55 112.88 3fnf h SER 170 Ca 0.35 -0.46 0.02 0.00 -1.23 0.00 0.00 61.79 60.47 3fnf h SER 170 Cb 0.05 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 3fnf h SER 170 CO -0.11 0.81 0.31 0.58 -0.53 0.00 0.00 176.83 177.89 3fnf h VAL 171 N 0.09 1.08 -0.82 2.23 2.07 -0.74 -2.28 116.25 117.88 3fnf h VAL 171 Ca 0.03 -0.21 0.17 0.00 0.82 0.00 0.00 66.70 67.52 3fnf h VAL 171 Cb 0.67 0.40 -0.11 0.00 -1.52 0.00 0.00 31.29 30.73 3fnf h VAL 171 CO 0.04 0.11 0.33 -1.13 0.02 0.00 0.00 177.57 176.94 3fnf h ASN 172 N 0.62 0.28 0.19 0.57 -1.24 -1.01 0.56 115.58 115.55 3fnf h ASN 172 Ca 0.19 0.13 -0.09 0.00 0.71 0.00 0.00 56.30 57.24 3fnf h ASN 172 Cb -0.01 0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.14 3fnf h ASN 172 CO -0.07 0.05 -0.35 0.03 -1.29 0.00 0.00 177.43 175.80 3fnf h ARG 173 N 0.42 0.24 0.10 6.67 3.08 -1.37 0.14 114.38 123.65 3fnf h ARG 173 Ca 0.48 -0.10 -0.27 0.00 0.07 0.00 0.00 59.98 60.16 3fnf h ARG 173 Cb 0.81 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 3fnf h ARG 173 CO -0.47 0.56 -1.28 0.74 -1.07 0.00 0.00 179.97 178.45 3fnf h PHE 174 N 0.21 0.38 -0.94 3.04 0.04 -1.13 -3.13 116.94 115.41 3fnf h PHE 174 Ca 0.02 -0.28 0.05 0.00 2.80 0.00 0.00 57.97 60.57 3fnf h PHE 174 Cb 0.72 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.80 3fnf h PHE 174 CO 0.01 1.25 0.60 0.28 -0.60 0.00 0.00 178.31 179.85 3fnf h VAL 175 N 0.06 1.11 -0.94 -0.55 2.07 0.54 -2.09 116.25 116.45 3fnf h VAL 175 Ca -0.14 -0.39 0.06 0.00 0.82 0.00 0.00 66.70 67.05 3fnf h VAL 175 Cb 1.95 -0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.54 3fnf h VAL 175 CO 0.18 0.21 0.61 0.00 0.02 0.00 0.00 177.57 178.58 3fnf h ALA 176 N 1.41 1.47 -0.39 1.67 0.00 -0.74 0.32 119.26 122.99 3fnf h ALA 176 Ca 0.39 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 3fnf h ALA 176 Cb 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3fnf h ALA 176 CO -0.15 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.50 3fnf h ARG 177 N 1.09 0.68 -0.31 0.00 3.08 -1.34 -1.26 114.38 116.33 3fnf h ARG 177 Ca 0.40 -0.22 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 3fnf h ARG 177 Cb 0.17 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3fnf h ARG 177 CO -0.15 0.78 -0.06 0.93 -1.07 0.00 0.00 179.97 180.40 3fnf h GLU 178 N 0.51 0.58 -0.57 0.04 4.39 -0.99 -3.27 114.58 115.27 3fnf h GLU 178 Ca 0.11 -0.22 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 3fnf h GLU 178 Cb 0.47 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 3fnf h GLU 178 CO 0.02 0.76 0.16 0.00 -1.16 0.00 0.00 179.01 178.79 3fnf h ALA 179 N 0.80 1.22 0.00 3.43 0.00 -0.28 -2.15 119.26 122.27 3fnf h ALA 179 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3fnf h ALA 179 Cb 0.54 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3fnf h ALA 179 CO 0.03 0.55 0.00 0.78 0.00 0.00 0.00 179.25 180.60 3fnf h GLY 180 N 0.98 0.00 2.00 0.00 0.00 -1.04 0.75 103.07 105.75 3fnf h GLY 180 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3fnf h GLY 180 CO -0.01 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.03 3fnf h LYS 181 N 0.00 0.00 -0.01 4.80 1.57 -1.47 -2.61 116.57 118.85 3fnf h LYS 181 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fnf h LYS 181 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3fnf h LYS 181 CO 0.00 0.00 -0.03 0.66 -0.57 0.00 0.00 179.45 179.51 3fnf n TYR 182 N -2.75 0.00 -0.99 -1.35 4.02 0.12 -4.97 117.16 111.24 3fnf n TYR 182 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3fnf n TYR 182 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 3fnf n TYR 182 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fnf n GLY 183 N 0.68 0.46 3.90 2.72 0.00 -0.98 -3.72 105.19 108.24 3fnf n GLY 183 Ca 0.06 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 3fnf n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fnf s VAL 184 N -2.00 5.42 0.22 1.61 1.01 -0.43 -0.27 120.40 125.96 3fnf s VAL 184 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 3fnf s VAL 184 Cb 0.00 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 3fnf s VAL 184 CO 0.00 0.37 0.51 -0.13 0.00 0.00 0.00 175.10 175.85 3fnf s ARG 185 N -1.79 3.72 -0.05 2.72 0.52 -0.62 -2.77 118.95 120.68 3fnf s ARG 185 Ca 0.26 0.12 0.02 0.00 -0.52 0.00 0.00 55.73 55.61 3fnf s ARG 185 Cb -0.13 -2.70 0.01 0.00 0.52 0.00 0.00 34.95 32.66 3fnf s ARG 185 CO 0.16 0.33 -0.09 0.45 0.02 0.00 0.00 175.30 176.17 3fnf s SER 186 N -2.58 1.36 0.25 0.23 0.15 -1.26 -0.57 113.70 111.28 3fnf s SER 186 Ca 0.45 -0.22 -0.09 0.00 0.70 0.00 0.00 55.95 56.80 3fnf s SER 186 Cb -0.11 -0.57 -0.01 0.00 -1.71 0.00 0.00 66.02 63.61 3fnf s SER 186 CO 0.24 0.02 0.40 0.20 1.20 0.00 0.00 173.24 175.30 3fnf s ASN 187 N 0.61 0.08 0.09 5.45 -0.87 -0.51 0.16 114.94 119.95 3fnf s ASN 187 Ca -0.11 -1.10 0.08 0.00 -1.57 0.00 0.00 52.86 50.16 3fnf s ASN 187 Cb -0.14 0.55 -0.03 0.00 -0.02 0.00 0.00 41.25 41.61 3fnf s ASN 187 CO 0.02 -1.09 -0.20 -0.76 -2.57 0.00 0.00 177.10 172.50 3fnf s LEU 188 N -3.08 2.28 -0.27 0.60 1.02 -0.07 -0.91 118.68 118.26 3fnf s LEU 188 Ca 0.27 -0.65 -0.04 0.00 0.02 0.00 0.00 54.13 53.73 3fnf s LEU 188 Cb 0.01 -0.85 0.01 0.00 0.02 0.00 0.00 46.19 45.39 3fnf s LEU 188 CO 0.11 0.06 0.00 -0.69 0.02 0.00 0.00 176.35 175.85 3fnf s VAL 189 N -1.12 3.40 -0.49 -1.59 1.01 0.25 -0.92 120.40 120.93 3fnf s VAL 189 Ca 0.06 -0.83 -0.26 0.00 0.00 0.00 0.00 61.98 60.95 3fnf s VAL 189 Cb -0.10 -2.72 0.03 0.00 0.00 0.00 0.00 36.38 33.59 3fnf s VAL 189 CO 0.04 0.17 0.97 0.00 0.00 0.00 0.00 175.10 176.28 3fnf s ALA 190 N 1.42 3.19 0.22 5.51 0.00 -0.17 0.39 121.76 132.31 3fnf s ALA 190 Ca 0.02 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.11 3fnf s ALA 190 Cb -0.17 -3.72 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 3fnf s ALA 190 CO -0.01 -2.21 0.40 0.00 0.00 0.00 0.00 175.76 173.93 3fnf s ALA 191 N 3.98 3.84 0.94 0.00 0.00 -0.58 -0.13 121.76 129.80 3fnf s ALA 191 Ca 0.37 -0.90 -0.14 0.00 0.00 0.00 0.00 51.96 51.28 3fnf s ALA 191 Cb -0.10 -1.96 0.16 0.00 0.00 0.00 0.00 23.12 21.22 3fnf s ALA 191 CO 0.25 0.37 1.21 0.20 0.00 0.00 0.00 175.76 177.79 3fnf s GLY 192 N -3.37 1.66 0.22 0.00 0.00 -0.56 -4.69 107.32 100.58 3fnf s GLY 192 Ca 0.38 -0.86 -0.30 0.00 0.00 0.00 0.00 44.72 43.94 3fnf s GLY 192 CO 0.30 -0.20 1.28 2.56 0.00 0.00 0.00 173.10 177.03 3fnf s PRO 193 N -5.60 4.42 -0.07 2.90 0.04 -1.26 -5.00 135.00 130.43 3fnf s PRO 193 Ca 0.68 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.79 3fnf s PRO 193 Cb -0.09 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.26 3fnf s PRO 193 CO 0.52 -0.19 -0.20 0.42 0.04 0.00 0.00 177.00 177.60 3fnf s ILE 194 N -0.14 1.70 -0.66 0.56 -1.09 -1.26 -4.24 121.20 116.07 3fnf s ILE 194 Ca 0.54 -0.83 -0.26 0.00 -2.23 0.00 0.00 60.65 57.87 3fnf s ILE 194 Cb -0.36 -1.48 -0.03 0.00 -1.58 0.00 0.00 42.46 39.01 3fnf s ILE 194 CO 0.40 0.48 1.93 -0.13 -1.23 0.00 0.00 174.94 176.39 3fnf s ARG 195 N 0.29 2.55 0.37 2.79 0.52 0.16 -4.36 118.95 121.27 3fnf s ARG 195 Ca -0.13 0.50 0.03 0.00 -0.52 0.00 0.00 55.73 55.62 3fnf s ARG 195 Cb -0.16 -4.54 -0.04 0.00 0.52 0.00 0.00 34.95 30.74 3fnf s ARG 195 CO 0.06 -2.93 0.09 -0.08 0.02 0.00 0.00 175.30 172.46 3fnf s THR 196 N 9.62 0.85 0.55 0.02 -1.32 -1.25 -4.95 115.64 119.15 3fnf s THR 196 Ca 0.70 -2.00 0.28 0.00 -1.21 0.00 0.00 61.69 59.47 3fnf s THR 196 Cb -0.12 -2.53 0.43 0.00 -1.51 0.00 0.00 72.50 68.77 3fnf s THR 196 CO 0.17 0.00 1.94 -0.07 -2.21 0.00 0.00 174.62 174.45 3fnf h LEU 197 N 1.92 0.00 0.00 9.08 4.07 -1.89 -3.35 115.31 125.14 3fnf h LEU 197 Ca -0.38 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.58 3fnf h LEU 197 Cb 1.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.00 3fnf h LEU 197 CO 0.63 0.00 -0.42 0.00 -1.08 0.00 0.00 178.44 177.56 3fnf n ALA 198 N -2.60 3.26 -2.48 1.53 0.00 -1.26 -4.88 120.51 114.08 3fnf n ALA 198 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3fnf n ALA 198 Cb 0.74 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 19.00 3fnf n ALA 198 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3fnf n MET 199 N -1.57 0.00 -3.77 0.00 0.00 -1.26 -5.06 117.12 105.45 3fnf n MET 199 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.78 3fnf n MET 199 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.57 3fnf n MET 199 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3fnf s SER 200 N -0.04 -0.02 0.16 7.83 0.15 -1.26 -3.95 113.70 116.58 3fnf s SER 200 Ca 0.00 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.51 3fnf s SER 200 Cb 0.00 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 3fnf s SER 200 CO 0.00 -0.25 0.00 1.21 1.20 0.00 0.00 173.24 175.40 3fnf n GLU 220 N -0.68 0.00 -1.98 5.44 4.07 -1.26 -4.72 120.64 121.52 3fnf n GLU 220 Ca -0.03 0.00 -0.36 0.00 -0.06 0.00 0.00 57.16 56.71 3fnf n GLU 220 Cb 0.61 0.00 0.04 0.00 -0.06 0.00 0.00 31.44 32.03 3fnf n GLU 220 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3fnf n GLY 221 N 0.36 5.71 0.13 8.31 0.00 -1.26 -4.40 105.19 114.05 3fnf n GLY 221 Ca 0.00 -2.53 -0.21 0.00 0.00 0.00 0.00 46.02 43.28 3fnf n GLY 221 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3fnf h TRP 222 N 2.75 0.68 -0.02 1.61 2.91 -1.99 -3.25 115.95 118.64 3fnf h TRP 222 Ca 0.51 -0.50 0.01 0.00 1.13 0.00 0.00 58.89 60.03 3fnf h TRP 222 Cb 0.38 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.01 3fnf h TRP 222 CO 1.12 1.56 0.02 0.22 -1.03 0.00 0.00 178.44 180.32 3fnf h ASP 223 N 0.10 0.00 0.49 2.65 1.82 -1.77 -1.16 116.42 118.55 3fnf h ASP 223 Ca -0.29 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.32 3fnf h ASP 223 Cb 2.09 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.10 3fnf h ASP 223 CO 0.19 0.00 -0.23 -0.61 -1.61 0.00 0.00 179.24 176.98 3fnf h GLN 224 N 0.00 -0.63 -0.31 0.28 5.75 -1.85 -3.31 115.11 115.04 3fnf h GLN 224 Ca 0.01 0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.49 3fnf h GLN 224 Cb 0.04 0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 3fnf h GLN 224 CO -0.00 -0.42 -0.05 0.00 -2.65 0.00 0.00 178.83 175.71 3fnf h ARG 225 N -1.02 0.50 -6.26 1.69 3.08 -1.55 -3.42 114.38 107.39 3fnf h ARG 225 Ca -0.07 -0.12 -0.56 0.00 0.07 0.00 0.00 59.98 59.30 3fnf h ARG 225 Cb 0.50 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 3fnf h ARG 225 CO 0.11 0.56 1.15 0.00 -1.07 0.00 0.00 179.97 180.72 3fnf s ALA 226 N -4.88 3.32 0.49 0.04 0.00 -0.46 -4.47 121.76 115.80 3fnf s ALA 226 Ca -0.07 0.64 0.23 0.00 0.00 0.00 0.00 51.96 52.76 3fnf s ALA 226 Cb 0.15 -3.85 1.42 0.00 0.00 0.00 0.00 23.12 20.85 3fnf s ALA 226 CO 0.77 -1.88 2.11 -1.35 0.00 0.00 0.00 175.76 175.41 3fnf h PRO 227 N 10.81 0.00 -0.35 0.00 0.11 -1.79 -1.72 132.00 139.05 3fnf h PRO 227 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3fnf h PRO 227 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3fnf h PRO 227 CO 0.98 0.09 0.00 0.44 -0.21 0.00 0.00 178.00 179.30 3fnf n ILE 228 N -3.98 1.88 -0.33 4.15 -5.35 -1.21 -5.09 119.36 109.42 3fnf n ILE 228 Ca -0.02 -1.51 0.04 0.00 -0.27 0.00 0.00 62.75 60.99 3fnf n ILE 228 Cb 0.18 0.02 -0.02 0.00 -1.74 0.00 0.00 39.64 38.08 3fnf n ILE 228 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fnf n GLY 229 N 0.06 -2.20 3.11 3.28 0.00 -0.65 -5.02 105.19 103.77 3fnf n GLY 229 Ca 0.19 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 3fnf n GLY 229 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3fnf s TRP 230 N -2.42 -0.40 -0.31 1.61 -0.11 -1.26 -4.56 118.94 111.48 3fnf s TRP 230 Ca 0.00 0.92 0.00 0.00 1.22 0.00 0.00 56.10 58.24 3fnf s TRP 230 Cb 0.00 0.10 0.07 0.00 -1.50 0.00 0.00 33.47 32.14 3fnf s TRP 230 CO 0.00 -0.26 0.01 1.21 -4.62 0.00 0.00 176.95 173.29 3fnf s ASN 231 N 1.33 4.82 0.26 5.86 3.84 -1.26 -4.41 114.94 125.38 3fnf s ASN 231 Ca -0.09 -1.54 0.22 0.00 0.21 0.00 0.00 52.86 51.66 3fnf s ASN 231 Cb -0.10 -1.68 0.99 0.00 -0.55 0.00 0.00 41.25 39.91 3fnf s ASN 231 CO -0.10 -0.30 1.66 0.23 -2.79 0.00 0.00 177.10 175.80 3fnf n MET 232 N 4.52 0.16 0.00 0.43 2.81 -1.26 -1.37 117.12 122.41 3fnf n MET 232 Ca -0.09 0.48 0.13 0.00 -1.81 0.00 0.00 57.70 56.42 3fnf n MET 232 Cb 0.43 -1.87 0.48 0.00 -0.71 0.00 0.00 33.22 31.55 3fnf n MET 232 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3fnf n LYS 233 N -2.19 0.61 -3.89 0.03 5.02 -1.26 0.35 118.16 116.83 3fnf n LYS 233 Ca 0.01 -0.28 -0.34 0.00 -2.02 0.00 0.00 58.31 55.68 3fnf n LYS 233 Cb 0.16 -1.49 -0.13 0.00 -0.02 0.00 0.00 35.03 33.54 3fnf n LYS 233 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3fnf s ASP 234 N -2.59 5.01 0.17 4.39 2.15 -0.47 -4.93 116.67 120.40 3fnf s ASP 234 Ca 0.24 -2.01 0.25 0.00 0.43 0.00 0.00 52.55 51.46 3fnf s ASP 234 Cb 0.19 -1.73 0.92 0.00 -0.30 0.00 0.00 42.92 41.99 3fnf s ASP 234 CO 0.52 -0.45 1.77 0.00 -0.17 0.00 0.00 175.17 176.84 3fnf n ALA 235 N 4.46 2.10 -0.11 3.66 0.00 -1.26 -4.33 120.51 125.02 3fnf n ALA 235 Ca -0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 3fnf n ALA 235 Cb 0.42 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 3fnf n ALA 235 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3fnf h THR 236 N 0.00 1.17 -0.80 0.00 2.02 -1.95 -1.28 112.91 112.08 3fnf h THR 236 Ca 0.00 -0.52 0.07 0.00 0.77 0.00 0.00 66.41 66.73 3fnf h THR 236 Cb 0.57 0.90 -0.05 0.00 -1.74 0.00 0.00 68.15 67.83 3fnf h THR 236 CO 0.00 0.19 0.52 -0.65 0.37 0.00 0.00 175.52 175.95 3fnf h PRO 237 N 0.40 0.83 -0.11 6.66 0.11 -1.99 -0.64 132.00 137.26 3fnf h PRO 237 Ca 0.11 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.07 3fnf h PRO 237 Cb 0.16 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.08 3fnf h PRO 237 CO -0.01 0.55 -0.33 -0.24 -0.21 0.00 0.00 178.00 177.76 3fnf h VAL 238 N 0.85 1.39 -0.96 3.15 3.04 -1.75 -2.38 116.25 119.59 3fnf h VAL 238 Ca 0.34 -1.66 0.17 0.00 -1.01 0.00 0.00 66.70 64.55 3fnf h VAL 238 Cb 0.25 2.16 -0.09 0.00 -2.01 0.00 0.00 31.29 31.61 3fnf h VAL 238 CO -0.12 0.49 0.61 0.00 -1.01 0.00 0.00 177.57 177.53 3fnf h ALA 239 N 0.49 1.79 -0.35 3.17 0.00 -0.97 -0.56 119.26 122.84 3fnf h ALA 239 Ca -0.01 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3fnf h ALA 239 Cb 0.95 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3fnf h ALA 239 CO 0.07 -0.09 -0.25 0.87 0.00 0.00 0.00 179.25 179.85 3fnf h LYS 240 N 0.72 0.79 -0.42 0.00 1.57 -0.98 -1.56 116.57 116.70 3fnf h LYS 240 Ca 0.51 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3fnf h LYS 240 Cb 0.83 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 3fnf h LYS 240 CO -0.27 1.01 0.26 1.15 -0.57 0.00 0.00 179.45 181.02 3fnf h THR 241 N 0.58 1.12 -0.90 -0.16 2.02 -0.86 0.82 112.91 115.53 3fnf h THR 241 Ca 0.07 -0.26 0.07 0.00 0.77 0.00 0.00 66.41 67.07 3fnf h THR 241 Cb 0.81 0.55 -0.07 0.00 -1.74 0.00 0.00 68.15 67.70 3fnf h THR 241 CO 0.07 0.12 0.56 0.58 0.37 0.00 0.00 175.52 177.22 3fnf h VAL 242 N 0.55 1.02 -0.49 3.16 2.07 -0.97 -2.18 116.25 119.41 3fnf h VAL 242 Ca 0.15 -0.34 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 3fnf h VAL 242 Cb -0.03 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.67 3fnf h VAL 242 CO -0.03 0.18 -0.15 0.00 0.02 0.00 0.00 177.57 177.59 3fnf h ALA 244 N 0.99 1.41 0.00 0.00 0.00 -0.27 -0.54 119.26 120.86 3fnf h ALA 244 Ca 0.12 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 3fnf h ALA 244 Cb 0.70 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3fnf h ALA 244 CO 0.05 0.43 -0.64 -0.07 0.00 0.00 0.00 179.25 179.03 3fnf h LEU 245 N 1.17 0.00 -0.87 0.00 3.38 -1.13 -2.81 115.31 115.05 3fnf h LEU 245 Ca 0.44 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.36 3fnf h LEU 245 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3fnf h LEU 245 CO -0.18 0.64 -0.25 -0.07 0.09 0.00 0.00 178.44 178.67 3fnf h LEU 246 N 0.00 0.00 0.00 1.67 3.38 -0.43 -3.46 115.31 116.47 3fnf h LEU 246 Ca -0.01 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 3fnf h LEU 246 Cb 1.14 0.00 0.13 0.00 0.09 0.00 0.00 40.66 42.02 3fnf h LEU 246 CO 0.08 0.25 0.16 -1.54 0.09 0.00 0.00 178.44 177.48 3fnf n SER 247 N -3.33 -1.04 -1.39 -0.43 3.41 -0.29 -4.80 113.62 105.75 3fnf n SER 247 Ca 0.01 -1.09 0.05 0.00 -0.26 0.00 0.00 58.87 57.57 3fnf n SER 247 Cb 0.48 -0.68 0.27 0.00 -0.26 0.00 0.00 64.21 64.02 3fnf n SER 247 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3fnf n ASP 248 N -3.99 4.05 -0.19 4.04 8.00 -1.26 -4.39 116.55 122.80 3fnf n ASP 248 Ca 0.11 -2.56 0.09 0.00 0.71 0.00 0.00 54.79 53.13 3fnf n ASP 248 Cb 0.39 -0.60 -0.06 0.00 -0.02 0.00 0.00 41.12 40.84 3fnf n ASP 248 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3fnf n TRP 249 N 0.48 0.00 -2.82 1.24 7.02 -1.26 -4.20 117.44 117.90 3fnf n TRP 249 Ca 0.19 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.42 3fnf n TRP 249 Cb 0.84 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.71 3fnf n TRP 249 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3fnf n LEU 250 N -0.82 3.91 0.00 -0.99 4.32 -1.26 -4.92 117.00 117.24 3fnf n LEU 250 Ca 0.05 -5.35 0.14 0.00 -0.02 0.00 0.00 56.01 50.84 3fnf n LEU 250 Cb 0.33 -0.31 0.73 0.00 -1.62 0.00 0.00 43.42 42.55 3fnf n LEU 250 CO 0.31 2.27 0.99 -0.81 -1.22 0.00 0.00 177.39 178.92 3fnf n PRO 251 N -0.24 0.44 -0.07 3.23 -0.04 -1.26 -3.28 135.00 133.78 3fnf n PRO 251 Ca 0.31 0.02 0.04 0.00 -0.04 0.00 0.00 63.50 63.83 3fnf n PRO 251 Cb 0.53 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.54 3fnf n PRO 251 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fnf n ALA 252 N -1.27 2.02 -3.29 0.55 0.00 -1.26 -4.99 120.51 112.28 3fnf n ALA 252 Ca 0.14 -1.62 -0.34 0.00 0.00 0.00 0.00 53.44 51.62 3fnf n ALA 252 Cb 0.22 -0.20 -0.14 0.00 0.00 0.00 0.00 19.45 19.33 3fnf n ALA 252 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3fnf s THR 253 N -1.60 3.07 0.04 0.00 -4.23 -1.21 -5.11 115.64 106.61 3fnf s THR 253 Ca 0.13 -0.63 -0.12 0.00 -1.18 0.00 0.00 61.69 59.89 3fnf s THR 253 Cb 0.11 -2.32 0.01 0.00 1.34 0.00 0.00 72.50 71.64 3fnf s THR 253 CO 0.01 0.50 0.26 -0.89 -0.54 0.00 0.00 174.62 173.96 3fnf s THR 254 N 0.75 0.09 -1.79 3.99 2.01 -1.26 -4.69 115.64 114.74 3fnf s THR 254 Ca -0.05 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.19 3fnf s THR 254 Cb -0.15 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.42 3fnf s THR 254 CO 0.01 -0.42 0.00 0.61 -0.69 0.00 0.00 174.62 174.13 3fnf n GLY 255 N 0.60 0.19 3.60 4.40 0.00 0.12 -4.97 105.19 109.14 3fnf n GLY 255 Ca -0.19 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 3fnf n GLY 255 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fnf s ASP 256 N -2.30 3.80 -0.13 1.61 -1.08 -1.23 -4.60 116.67 112.74 3fnf s ASP 256 Ca 0.00 -1.32 0.03 0.00 -0.52 0.00 0.00 52.55 50.73 3fnf s ASP 256 Cb 0.00 -0.38 0.01 0.00 -1.46 0.00 0.00 42.92 41.09 3fnf s ASP 256 CO 0.00 -0.39 -0.22 -0.63 0.52 0.00 0.00 175.17 174.45 3fnf s ILE 257 N -2.70 2.12 -0.18 4.11 1.01 -1.26 -0.89 121.20 123.40 3fnf s ILE 257 Ca 0.34 -0.97 -0.07 0.00 0.00 0.00 0.00 60.65 59.95 3fnf s ILE 257 Cb 0.08 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 3fnf s ILE 257 CO 0.18 0.55 0.06 -0.63 0.00 0.00 0.00 174.94 175.10 3fnf s ILE 258 N 0.65 4.76 -0.36 2.92 1.09 -0.09 -4.95 121.20 125.22 3fnf s ILE 258 Ca -0.11 -0.04 -0.17 0.00 -1.10 0.00 0.00 60.65 59.23 3fnf s ILE 258 Cb -0.16 -3.15 -0.00 0.00 -1.06 0.00 0.00 42.46 38.09 3fnf s ILE 258 CO 0.02 0.46 0.43 -0.31 -0.10 0.00 0.00 174.94 175.43 3fnf s TYR 259 N 0.40 3.19 -0.88 3.97 1.51 -1.26 -1.00 117.35 123.28 3fnf s TYR 259 Ca 0.03 -0.02 -0.00 0.00 -1.01 0.00 0.00 57.07 56.07 3fnf s TYR 259 Cb -0.12 -2.80 0.25 0.00 -0.11 0.00 0.00 41.96 39.17 3fnf s TYR 259 CO 0.00 -0.52 0.94 0.00 -1.11 0.00 0.00 175.55 174.87 3fnf n ALA 260 N 5.55 4.20 -1.18 3.71 0.00 0.81 -4.68 120.51 128.92 3fnf n ALA 260 Ca -0.07 -4.69 0.00 0.00 0.00 0.00 0.00 53.44 48.68 3fnf n ALA 260 Cb 0.49 -1.65 0.01 0.00 0.00 0.00 0.00 19.45 18.29 3fnf n ALA 260 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3fnf n ASP 261 N 1.70 0.31 -0.23 0.00 5.75 -1.26 -1.49 116.55 121.33 3fnf n ASP 261 Ca 0.25 -1.47 -0.03 0.00 -0.01 0.00 0.00 54.79 53.53 3fnf n ASP 261 Cb 0.37 -0.08 -0.01 0.00 -1.03 0.00 0.00 41.12 40.37 3fnf n ASP 261 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fnf n GLY 262 N -0.12 0.61 2.85 6.12 0.00 -1.26 -2.70 105.19 110.69 3fnf n GLY 262 Ca 0.01 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3fnf n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fnf n GLY 263 N -2.51 0.97 0.28 -0.02 0.00 -1.26 -2.91 105.19 99.75 3fnf n GLY 263 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.03 3fnf n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fnf h ALA 264 N 0.00 0.67 0.00 4.61 0.00 -1.73 -1.17 119.26 121.63 3fnf h ALA 264 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3fnf h ALA 264 Cb 0.00 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3fnf h ALA 264 CO 0.00 -0.43 0.00 -2.39 0.00 0.00 0.00 179.25 176.43 3fnf n HIS 265 N -5.43 0.00 0.01 0.00 1.44 -1.26 -2.00 115.22 107.97 3fnf n HIS 265 Ca 0.13 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.94 3fnf n HIS 265 Cb 0.45 -0.48 0.23 0.00 0.12 0.00 0.00 29.99 30.31 3fnf n HIS 265 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3fnf n THR 266 N -1.48 0.72 -4.11 0.61 -2.24 -0.44 -4.90 114.28 102.43 3fnf n THR 266 Ca 0.01 -0.86 -0.23 0.00 -2.27 0.00 0.00 64.05 60.70 3fnf n THR 266 Cb 0.05 0.76 -0.17 0.00 -2.10 0.00 0.00 70.33 68.87 3fnf n THR 266 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3fnf s GLN 267 N -1.21 1.11 0.14 -0.78 -1.52 -0.85 -5.03 119.66 111.53 3fnf s GLN 267 Ca 0.38 -0.16 -0.11 0.00 -1.95 0.00 0.00 55.36 53.52 3fnf s GLN 267 Cb 0.21 -1.15 -0.03 0.00 -0.22 0.00 0.00 33.01 31.82 3fnf s GLN 267 CO 0.28 -0.15 1.49 1.25 -0.25 0.00 0.00 175.29 177.92 3fnf h LEU 268 N 7.60 1.00 0.00 2.90 5.85 -1.91 -3.49 115.31 127.27 3fnf h LEU 268 Ca -0.31 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 57.96 3fnf h LEU 268 Cb 1.15 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.90 3fnf h LEU 268 CO 0.41 1.24 0.00 0.00 -0.34 0.00 0.00 178.44 179.76