#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjh s SER 2 N 0.00 6.01 -0.04 7.83 0.15 -1.26 -4.94 113.70 121.45 1fjh s SER 2 Ca 0.00 -1.99 -0.20 0.00 0.70 0.00 0.00 55.95 54.45 1fjh s SER 2 Cb 0.00 -2.11 -0.05 0.00 -1.71 0.00 0.00 66.02 62.15 1fjh s SER 2 CO 0.00 -0.74 0.58 -0.63 1.20 0.00 0.00 173.24 173.65 1fjh s ILE 3 N 1.26 4.99 -0.13 6.45 1.01 -1.26 -0.62 121.20 132.91 1fjh s ILE 3 Ca 0.06 1.20 0.01 0.00 0.00 0.00 0.00 60.65 61.93 1fjh s ILE 3 Cb -0.26 -3.92 0.02 0.00 0.01 0.00 0.00 42.46 38.31 1fjh s ILE 3 CO -0.00 0.38 -0.15 -0.63 0.00 0.00 0.00 174.94 174.54 1fjh s ILE 4 N 0.08 1.55 -0.08 2.92 -1.09 0.04 -0.41 121.20 124.21 1fjh s ILE 4 Ca 0.31 -0.65 -0.18 0.00 -2.23 0.00 0.00 60.65 57.90 1fjh s ILE 4 Cb -0.17 -1.44 -0.05 0.00 -1.58 0.00 0.00 42.46 39.22 1fjh s ILE 4 CO 0.16 0.45 0.49 -0.69 -1.23 0.00 0.00 174.94 174.12 1fjh s VAL 5 N 1.22 5.10 -0.12 2.92 1.01 -0.55 -1.62 120.40 128.37 1fjh s VAL 5 Ca -0.01 1.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.96 1fjh s VAL 5 Cb -0.14 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.45 1fjh s VAL 5 CO -0.06 0.38 -0.03 -0.63 0.00 0.00 0.00 175.10 174.77 1fjh s ILE 6 N 0.19 0.74 0.30 2.22 1.01 -0.66 -0.46 121.20 124.53 1fjh s ILE 6 Ca 0.27 -0.23 -0.10 0.00 0.00 0.00 0.00 60.65 60.58 1fjh s ILE 6 Cb -0.16 -0.90 -0.07 0.00 0.01 0.00 0.00 42.46 41.34 1fjh s ILE 6 CO 0.12 0.21 0.64 -0.94 0.00 0.00 0.00 174.94 174.97 1fjh s SER 7 N 1.81 6.60 -1.17 3.58 1.04 -0.46 -0.79 113.70 124.31 1fjh s SER 7 Ca 0.03 1.00 -0.00 0.00 0.48 0.00 0.00 55.95 57.46 1fjh s SER 7 Cb -0.14 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.72 1fjh s SER 7 CO -0.07 -0.20 0.01 0.61 0.98 0.00 0.00 173.24 174.57 1fjh n GLY 8 N -0.60 -0.19 0.23 7.32 0.00 0.92 -1.74 105.19 111.12 1fjh n GLY 8 Ca 0.01 -0.31 0.16 0.00 0.00 0.00 0.00 46.02 45.88 1fjh n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fjh h ALA 10 N 2.09 1.25 -2.91 0.00 0.00 -1.80 -2.91 119.26 114.97 1fjh h ALA 10 Ca 0.00 -0.35 -0.43 0.00 0.00 0.00 0.00 54.91 54.13 1fjh h ALA 10 Cb 0.43 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.02 1fjh h ALA 10 CO 0.00 0.51 -0.41 0.95 0.00 0.00 0.00 179.25 180.30 1fjh s THR 11 N -4.28 0.00 0.00 0.00 -4.23 -1.25 -4.74 115.64 101.14 1fjh s THR 11 Ca -0.04 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1fjh s THR 11 Cb 0.14 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.44 1fjh s THR 11 CO 0.75 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.44 1fjh n GLY 12 N -0.61 2.41 0.35 3.99 0.00 -1.26 -1.49 105.19 108.59 1fjh n GLY 12 Ca 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 1fjh n GLY 12 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1fjh h ILE 13 N 0.00 1.26 -0.63 -0.61 2.04 -1.89 -1.40 117.51 116.28 1fjh h ILE 13 Ca 0.00 -0.70 0.04 0.00 1.00 0.00 0.00 64.86 65.20 1fjh h ILE 13 Cb 0.00 0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.18 1fjh h ILE 13 CO 0.00 0.30 0.37 1.23 0.00 0.00 0.00 178.15 180.05 1fjh h GLY 14 N 1.21 0.91 0.90 5.37 0.00 -1.58 0.16 103.07 110.04 1fjh h GLY 14 Ca 0.29 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 1fjh h GLY 14 CO -0.04 0.20 -0.04 0.00 0.00 0.00 0.00 176.54 176.66 1fjh h ALA 15 N 1.30 0.43 -0.61 3.60 0.00 -0.88 -1.28 119.26 121.81 1fjh h ALA 15 Ca 0.26 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1fjh h ALA 15 Cb 0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1fjh h ALA 15 CO -0.13 0.22 0.24 0.00 0.00 0.00 0.00 179.25 179.57 1fjh h ALA 16 N 0.82 1.27 -0.28 0.00 0.00 -0.89 -1.88 119.26 118.29 1fjh h ALA 16 Ca 0.08 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1fjh h ALA 16 Cb 0.51 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1fjh h ALA 16 CO 0.02 0.54 -0.48 1.15 0.00 0.00 0.00 179.25 180.48 1fjh h THR 17 N 0.88 1.29 -0.69 0.00 2.02 -0.59 -2.48 112.91 113.35 1fjh h THR 17 Ca 0.21 -1.68 -0.02 0.00 0.77 0.00 0.00 66.41 65.69 1fjh h THR 17 Cb 0.18 1.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 1fjh h THR 17 CO -0.02 0.54 0.35 -0.09 0.37 0.00 0.00 175.52 176.68 1fjh h ARG 18 N 0.61 0.97 -0.39 6.66 2.43 -0.82 -0.71 114.38 123.13 1fjh h ARG 18 Ca 0.03 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1fjh h ARG 18 Cb 1.06 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.41 1fjh h ARG 18 CO 0.10 0.75 0.20 -0.22 -1.51 0.00 0.00 179.97 179.30 1fjh h LYS 19 N 0.95 0.56 -0.25 0.20 3.64 -1.22 -0.16 116.57 120.29 1fjh h LYS 19 Ca 0.24 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1fjh h LYS 19 Cb 0.08 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1fjh h LYS 19 CO -0.03 0.47 -0.01 0.28 -2.27 0.00 0.00 179.45 177.89 1fjh h VAL 20 N 0.50 1.26 -0.03 2.00 2.07 -1.21 -2.14 116.25 118.70 1fjh h VAL 20 Ca 0.14 -0.92 -0.11 0.00 0.82 0.00 0.00 66.70 66.63 1fjh h VAL 20 Cb 0.09 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1fjh h VAL 20 CO -0.02 0.29 -0.48 -0.07 0.02 0.00 0.00 177.57 177.31 1fjh h LEU 21 N 0.22 0.08 -0.79 2.57 3.38 -1.08 -1.91 115.31 117.78 1fjh h LEU 21 Ca 0.07 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1fjh h LEU 21 Cb 0.42 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1fjh h LEU 21 CO 0.01 0.54 -0.29 -0.33 0.09 0.00 0.00 178.44 178.47 1fjh h GLU 22 N 0.06 0.59 0.00 1.13 5.08 -0.94 -1.58 114.58 118.93 1fjh h GLU 22 Ca 0.00 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.05 1fjh h GLU 22 Cb 0.86 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1fjh h GLU 22 CO 0.07 0.82 -0.29 0.00 -1.00 0.00 0.00 179.01 178.60 1fjh h ALA 23 N 1.18 1.19 0.00 3.43 0.00 -1.00 -1.45 119.26 122.61 1fjh h ALA 23 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1fjh h ALA 23 Cb 0.76 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1fjh h ALA 23 CO 0.06 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1fjh n ALA 24 N -2.34 2.52 -0.35 0.00 0.00 -0.65 -4.86 120.51 114.83 1fjh n ALA 24 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1fjh n ALA 24 Cb 0.39 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1fjh n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fjh n GLY 25 N 0.69 0.69 3.81 0.00 0.00 -0.55 -5.07 105.19 104.77 1fjh n GLY 25 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1fjh n GLY 25 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1fjh s HIS 26 N -2.61 3.44 -0.19 1.61 3.76 -0.86 -4.78 115.29 115.66 1fjh s HIS 26 Ca 0.00 1.64 -0.18 0.00 -0.15 0.00 0.00 55.06 56.37 1fjh s HIS 26 Cb 0.00 -2.85 -0.04 0.00 1.11 0.00 0.00 32.58 30.80 1fjh s HIS 26 CO 0.00 0.01 0.48 -1.14 -0.85 0.00 0.00 174.74 173.24 1fjh s GLN 27 N -2.81 4.20 -0.16 1.40 0.74 0.21 -4.40 119.66 118.85 1fjh s GLN 27 Ca 0.58 0.36 -0.07 0.00 0.05 0.00 0.00 55.36 56.27 1fjh s GLN 27 Cb -0.12 -3.54 -0.04 0.00 1.10 0.00 0.00 33.01 30.41 1fjh s GLN 27 CO 0.17 -0.08 0.08 0.42 -0.55 0.00 0.00 175.29 175.32 1fjh s ILE 28 N 1.43 4.96 -0.40 -2.34 -1.09 -1.26 -0.78 121.20 121.72 1fjh s ILE 28 Ca 0.23 0.02 -0.01 0.00 -2.23 0.00 0.00 60.65 58.66 1fjh s ILE 28 Cb -0.15 -3.21 0.11 0.00 -1.58 0.00 0.00 42.46 37.63 1fjh s ILE 28 CO 0.09 0.50 0.17 -0.69 -1.23 0.00 0.00 174.94 173.78 1fjh s VAL 29 N -0.02 3.02 0.28 2.92 1.01 -0.64 -4.94 120.40 122.04 1fjh s VAL 29 Ca 0.07 -2.17 -0.09 0.00 0.00 0.00 0.00 61.98 59.79 1fjh s VAL 29 Cb -0.12 -3.10 -0.07 0.00 0.00 0.00 0.00 36.38 33.09 1fjh s VAL 29 CO 0.01 -0.67 0.61 -0.83 0.00 0.00 0.00 175.10 174.21 1fjh s GLY 30 N 1.53 2.13 -0.14 4.51 0.00 -1.26 -1.66 107.32 112.43 1fjh s GLY 30 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 44.72 44.52 1fjh s GLY 30 CO -0.05 -0.15 -0.12 -0.42 0.00 0.00 0.00 173.10 172.36 1fjh s ILE 31 N -1.99 1.37 0.19 0.90 1.01 0.03 -0.74 121.20 121.96 1fjh s ILE 31 Ca 0.48 -0.51 -0.23 0.00 0.00 0.00 0.00 60.65 60.39 1fjh s ILE 31 Cb -0.11 -1.32 0.07 0.00 0.01 0.00 0.00 42.46 41.11 1fjh s ILE 31 CO 0.24 0.42 0.99 -0.62 0.00 0.00 0.00 174.94 175.97 1fjh s ASP 32 N 1.57 -0.07 0.52 3.58 3.68 -0.90 -0.06 116.67 125.00 1fjh s ASP 32 Ca 0.05 -0.60 0.31 0.00 2.13 0.00 0.00 52.55 54.44 1fjh s ASP 32 Cb -0.13 0.52 1.13 0.00 -1.45 0.00 0.00 42.92 42.99 1fjh s ASP 32 CO -0.10 -1.01 1.90 0.16 0.13 0.00 0.00 175.17 176.25 1fjh h ILE 33 N 2.00 0.00 -3.05 4.11 3.07 -1.84 0.25 117.51 122.06 1fjh h ILE 33 Ca -0.27 -0.63 0.04 0.00 1.55 0.00 0.00 64.86 65.56 1fjh h ILE 33 Cb 1.23 1.62 -0.07 0.00 -0.27 0.00 0.00 36.82 39.33 1fjh h ILE 33 CO 0.32 0.00 0.20 0.00 -1.05 0.00 0.00 178.15 177.62 1fjh s ARG 34 N -3.56 1.65 -1.37 0.16 1.70 -1.26 -4.70 118.95 111.58 1fjh s ARG 34 Ca 0.03 -0.89 -0.02 0.00 -0.47 0.00 0.00 55.73 54.38 1fjh s ARG 34 Cb 0.08 0.59 -0.00 0.00 -0.57 0.00 0.00 34.95 35.05 1fjh s ARG 34 CO 0.57 -0.75 0.48 -0.25 -1.08 0.00 0.00 175.30 174.28 1fjh n ASP 35 N -0.43 -0.86 -3.69 -2.89 10.43 -1.26 -4.57 116.55 113.28 1fjh n ASP 35 Ca -0.07 -0.99 -0.14 0.00 2.57 0.00 0.00 54.79 56.17 1fjh n ASP 35 Cb 0.61 -3.20 -0.07 0.00 1.84 0.00 0.00 41.12 40.30 1fjh n ASP 35 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1fjh s ALA 36 N -3.88 -1.01 0.38 2.24 0.00 -1.26 -4.44 121.76 113.79 1fjh s ALA 36 Ca 0.05 0.43 0.10 0.00 0.00 0.00 0.00 51.96 52.53 1fjh s ALA 36 Cb -0.02 0.20 0.77 0.00 0.00 0.00 0.00 23.12 24.07 1fjh s ALA 36 CO 0.88 -0.37 1.90 0.93 0.00 0.00 0.00 175.76 179.10 1fjh h GLU 37 N 3.33 0.22 -4.74 0.00 3.07 -1.87 -3.37 114.58 111.22 1fjh h GLU 37 Ca -0.30 -0.05 -0.67 0.00 -0.50 0.00 0.00 59.36 57.83 1fjh h GLU 37 Cb 1.19 -0.03 -0.38 0.00 -0.84 0.00 0.00 28.75 28.69 1fjh h GLU 37 CO 0.42 0.39 -0.73 0.08 -1.40 0.00 0.00 179.01 177.76 1fjh s VAL 38 N -4.67 2.41 -0.27 3.13 1.01 0.08 -4.98 120.40 117.11 1fjh s VAL 38 Ca -0.05 -1.96 -0.29 0.00 0.00 0.00 0.00 61.98 59.68 1fjh s VAL 38 Cb 0.15 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.95 1fjh s VAL 38 CO 0.73 -0.35 1.04 -0.63 0.00 0.00 0.00 175.10 175.90 1fjh s ILE 39 N 1.03 4.61 0.07 2.22 -1.09 -1.26 -2.12 121.20 124.67 1fjh s ILE 39 Ca 0.02 1.86 -0.25 0.00 -2.23 0.00 0.00 60.65 60.05 1fjh s ILE 39 Cb -0.20 -4.35 0.07 0.00 -1.58 0.00 0.00 42.46 36.40 1fjh s ILE 39 CO -0.06 -0.31 0.61 0.00 -1.23 0.00 0.00 174.94 173.95 1fjh s ALA 40 N 3.38 -1.59 -0.17 9.38 0.00 0.08 -4.94 121.76 127.90 1fjh s ALA 40 Ca 0.44 0.76 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1fjh s ALA 40 Cb -0.14 0.51 0.01 0.00 0.00 0.00 0.00 23.12 23.50 1fjh s ALA 40 CO 0.10 -0.59 -0.17 0.34 0.00 0.00 0.00 175.76 175.44 1fjh s ASP 41 N -2.12 3.45 0.00 0.00 3.68 -1.26 -2.96 116.67 117.46 1fjh s ASP 41 Ca -0.04 -0.55 0.14 0.00 2.13 0.00 0.00 52.55 54.24 1fjh s ASP 41 Cb -0.01 -1.53 0.42 0.00 -1.45 0.00 0.00 42.92 40.35 1fjh s ASP 41 CO -0.04 0.04 1.34 0.18 0.13 0.00 0.00 175.17 176.83 1fjh n LEU 42 N 4.34 2.34 0.08 -1.34 4.77 -1.26 -4.14 117.00 121.80 1fjh n LEU 42 Ca -0.20 -1.16 0.12 0.00 -0.03 0.00 0.00 56.01 54.75 1fjh n LEU 42 Cb 0.51 -0.28 0.46 0.00 -2.33 0.00 0.00 43.42 41.77 1fjh n LEU 42 CO 0.27 0.58 0.87 -1.54 -1.33 0.00 0.00 177.39 176.24 1fjh n SER 43 N 0.78 0.53 -4.33 -1.43 3.41 -1.26 -4.13 113.62 107.20 1fjh n SER 43 Ca 0.15 0.58 -0.23 0.00 -0.26 0.00 0.00 58.87 59.11 1fjh n SER 43 Cb 0.38 -0.71 -0.12 0.00 -0.26 0.00 0.00 64.21 63.49 1fjh n SER 43 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1fjh s THR 44 N -3.14 1.84 0.21 6.66 -4.23 -1.26 -4.76 115.64 110.95 1fjh s THR 44 Ca 0.09 -1.80 -0.10 0.00 -1.18 0.00 0.00 61.69 58.70 1fjh s THR 44 Cb 0.12 -1.78 0.14 0.00 1.34 0.00 0.00 72.50 72.32 1fjh s THR 44 CO 0.48 -0.20 1.79 0.00 -0.54 0.00 0.00 174.62 176.15 1fjh h ALA 45 N 3.54 0.85 -0.37 3.99 0.00 -1.94 -1.44 119.26 123.89 1fjh h ALA 45 Ca -0.44 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1fjh h ALA 45 Cb 1.20 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1fjh h ALA 45 CO 0.47 -0.02 -0.16 0.93 0.00 0.00 0.00 179.25 180.47 1fjh h GLU 46 N 0.61 0.67 -0.58 0.00 4.39 -1.96 -1.46 114.58 116.25 1fjh h GLU 46 Ca 0.29 -0.23 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 1fjh h GLU 46 Cb 0.22 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1fjh h GLU 46 CO -0.20 0.79 0.21 0.78 -1.16 0.00 0.00 179.01 179.44 1fjh h GLY 47 N 0.98 0.94 1.14 -3.84 0.00 -1.54 -1.29 103.07 99.45 1fjh h GLY 47 Ca 0.10 -0.53 -0.18 0.00 0.00 0.00 0.00 47.33 46.72 1fjh h GLY 47 CO 0.04 0.50 -0.53 3.21 0.00 0.00 0.00 176.54 179.76 1fjh h ARG 48 N 0.80 0.88 -0.86 4.80 3.08 -1.15 -1.77 114.38 120.16 1fjh h ARG 48 Ca 0.19 -0.55 0.04 0.00 0.07 0.00 0.00 59.98 59.73 1fjh h ARG 48 Cb 0.23 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.29 1fjh h ARG 48 CO -0.01 1.19 0.55 -0.22 -1.07 0.00 0.00 179.97 180.41 1fjh h LYS 49 N 0.66 1.03 -0.31 0.04 3.64 -1.11 0.71 116.57 121.23 1fjh h LYS 49 Ca 0.02 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.18 1fjh h LYS 49 Cb 1.14 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 1fjh h LYS 49 CO 0.12 0.68 -0.43 0.37 -2.27 0.00 0.00 179.45 177.91 1fjh h GLN 50 N 1.06 0.77 -0.68 1.90 5.75 -1.15 -2.27 115.11 120.49 1fjh h GLN 50 Ca 0.35 -0.42 -0.06 0.00 -0.15 0.00 0.00 58.65 58.37 1fjh h GLN 50 Cb 0.04 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 1fjh h GLN 50 CO -0.13 1.05 0.20 0.00 -2.65 0.00 0.00 178.83 177.30 1fjh h ALA 51 N 0.88 0.89 -0.28 3.38 0.00 -0.63 -0.69 119.26 122.81 1fjh h ALA 51 Ca 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1fjh h ALA 51 Cb 1.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1fjh h ALA 51 CO 0.10 0.58 0.13 0.82 0.00 0.00 0.00 179.25 180.87 1fjh h ILE 52 N 0.99 1.16 -0.39 0.00 2.04 -0.81 -0.96 117.51 119.54 1fjh h ILE 52 Ca 0.22 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1fjh h ILE 52 Cb 0.32 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1fjh h ILE 52 CO -0.00 0.17 0.22 0.00 0.00 0.00 0.00 178.15 178.54 1fjh h ALA 53 N 0.98 0.51 -0.39 1.87 0.00 -1.20 -0.35 119.26 120.66 1fjh h ALA 53 Ca 0.10 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1fjh h ALA 53 Cb 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1fjh h ALA 53 CO -0.01 0.02 -0.01 -0.44 0.00 0.00 0.00 179.25 178.81 1fjh h ASP 54 N 0.51 0.60 -0.02 0.00 3.32 -0.97 -2.15 116.42 117.71 1fjh h ASP 54 Ca 0.14 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1fjh h ASP 54 Cb 0.04 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1fjh h ASP 54 CO -0.02 0.68 -0.03 0.58 -1.72 0.00 0.00 179.24 178.72 1fjh h VAL 55 N 0.60 1.45 -0.64 -1.35 2.07 -0.86 -3.23 116.25 114.30 1fjh h VAL 55 Ca 0.12 -1.38 0.08 0.00 0.82 0.00 0.00 66.70 66.34 1fjh h VAL 55 Cb 0.40 2.34 -0.04 0.00 -1.52 0.00 0.00 31.29 32.47 1fjh h VAL 55 CO 0.02 0.36 0.42 -0.07 0.02 0.00 0.00 177.57 178.32 1fjh h LEU 56 N -0.50 0.50 -2.11 2.57 3.38 -0.98 0.60 115.31 118.77 1fjh h LEU 56 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1fjh h LEU 56 Cb 0.61 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1fjh h LEU 56 CO 0.01 0.31 -0.06 0.00 0.09 0.00 0.00 178.44 178.79 1fjh h ALA 57 N 1.67 1.14 -0.00 1.53 0.00 -1.41 -1.88 119.26 120.31 1fjh h ALA 57 Ca 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1fjh h ALA 57 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1fjh h ALA 57 CO -0.09 0.07 -0.82 1.63 0.00 0.00 0.00 179.25 180.04 1fjh n LYS 58 N -3.36 0.23 -2.27 0.00 5.02 0.14 -4.40 118.16 113.51 1fjh n LYS 58 Ca -0.02 -0.18 -0.19 0.00 -2.02 0.00 0.00 58.31 55.91 1fjh n LYS 58 Cb 0.21 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.74 1fjh n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fjh h SER 60 N 2.35 0.00 -0.13 0.00 4.64 -1.71 0.56 113.55 119.27 1fjh h SER 60 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1fjh h SER 60 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1fjh h SER 60 CO 0.64 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.89 1fjh n LYS 61 N -4.20 2.00 0.00 4.77 4.76 -1.26 -5.05 118.16 119.18 1fjh n LYS 61 Ca -0.03 -1.48 0.00 0.00 -2.87 0.00 0.00 58.31 53.94 1fjh n LYS 61 Cb 0.11 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 1fjh n LYS 61 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1fjh n GLY 62 N 1.27 -1.28 3.08 0.72 0.00 0.19 -4.78 105.19 104.38 1fjh n GLY 62 Ca 0.17 -2.23 -0.11 0.00 0.00 0.00 0.00 46.02 43.86 1fjh n GLY 62 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1fjh s MET 63 N -0.74 0.44 0.11 1.61 0.23 -0.89 -4.71 119.30 115.35 1fjh s MET 63 Ca 0.00 -0.37 0.24 0.00 -1.03 0.00 0.00 55.69 54.53 1fjh s MET 63 Cb 0.00 0.18 0.31 0.00 -1.53 0.00 0.00 34.83 33.79 1fjh s MET 63 CO 0.00 -0.10 1.29 -0.25 -2.03 0.00 0.00 175.02 173.93 1fjh n ASP 64 N 1.60 0.69 -3.58 -1.18 10.43 0.45 -3.73 116.55 121.23 1fjh n ASP 64 Ca -0.22 0.09 -0.06 0.00 2.57 0.00 0.00 54.79 57.17 1fjh n ASP 64 Cb 0.56 0.23 -0.02 0.00 1.84 0.00 0.00 41.12 43.73 1fjh n ASP 64 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1fjh s GLY 65 N -3.67 -0.39 -0.07 0.44 0.00 -1.07 -2.86 107.32 99.70 1fjh s GLY 65 Ca 0.06 0.77 -0.03 0.00 0.00 0.00 0.00 44.72 45.52 1fjh s GLY 65 CO 0.73 0.24 0.15 -2.27 0.00 0.00 0.00 173.10 171.95 1fjh s LEU 66 N -2.62 0.64 -0.19 0.66 2.96 -0.94 -1.48 118.68 117.72 1fjh s LEU 66 Ca 0.08 0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 54.30 1fjh s LEU 66 Cb -0.01 0.38 0.05 0.00 0.50 0.00 0.00 46.19 47.11 1fjh s LEU 66 CO -0.05 -0.16 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.09 1fjh s VAL 67 N 1.26 1.13 -0.56 1.68 1.01 0.39 -0.74 120.40 124.56 1fjh s VAL 67 Ca -0.08 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 60.97 1fjh s VAL 67 Cb -0.12 -1.37 0.11 0.00 0.00 0.00 0.00 36.38 35.01 1fjh s VAL 67 CO -0.06 0.03 0.61 -0.76 0.00 0.00 0.00 175.10 174.92 1fjh s LEU 68 N 1.61 5.69 0.00 3.92 1.43 -0.40 -1.35 118.68 129.58 1fjh s LEU 68 Ca -0.01 -1.54 0.13 0.00 -1.03 0.00 0.00 54.13 51.67 1fjh s LEU 68 Cb -0.16 -2.27 0.08 0.00 0.03 0.00 0.00 46.19 43.87 1fjh s LEU 68 CO -0.07 -0.99 0.87 0.00 0.23 0.00 0.00 176.35 176.39 1fjh s ALA 70 N -1.20 3.54 0.00 0.00 0.00 -1.16 -4.67 121.76 118.28 1fjh s ALA 70 Ca 0.14 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1fjh s ALA 70 Cb 0.11 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1fjh s ALA 70 CO 0.20 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.56 1fjh n GLY 71 N 0.85 0.82 3.13 0.00 0.00 -1.26 -4.75 105.19 103.98 1fjh n GLY 71 Ca 0.01 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 1fjh n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fjh s LEU 72 N 0.00 2.01 0.72 0.99 1.43 -1.26 -5.02 118.68 117.54 1fjh s LEU 72 Ca 0.00 -0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1fjh s LEU 72 Cb 0.00 -0.82 0.12 0.00 0.03 0.00 0.00 46.19 45.52 1fjh s LEU 72 CO 0.00 0.19 0.99 -0.83 0.23 0.00 0.00 176.35 176.93 1fjh s GLY 73 N -0.32 1.76 0.92 -3.19 0.00 -1.26 -4.92 107.32 100.31 1fjh s GLY 73 Ca 0.05 -1.70 -0.11 0.00 0.00 0.00 0.00 44.72 42.96 1fjh s GLY 73 CO -0.00 -1.14 1.09 2.56 0.00 0.00 0.00 173.10 175.61 1fjh s PRO 74 N -5.14 1.00 0.00 2.90 0.04 -1.26 -2.86 135.00 129.69 1fjh s PRO 74 Ca 0.66 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1fjh s PRO 74 Cb -0.06 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1fjh s PRO 74 CO 0.44 -2.49 0.00 1.04 0.04 0.00 0.00 177.00 176.03 1fjh n GLN 75 N -4.09 -0.03 -2.33 4.56 6.02 -1.26 -4.99 117.38 115.27 1fjh n GLN 75 Ca 0.08 0.01 -0.41 0.00 -0.01 0.00 0.00 57.00 56.66 1fjh n GLN 75 Cb 0.54 -2.81 -0.03 0.00 1.02 0.00 0.00 30.24 28.96 1fjh n GLN 75 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1fjh s THR 76 N -2.94 3.52 0.02 5.09 2.01 -1.13 -4.94 115.64 117.27 1fjh s THR 76 Ca 0.00 1.23 -0.05 0.00 0.31 0.00 0.00 61.69 63.19 1fjh s THR 76 Cb 0.00 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 1fjh s THR 76 CO 0.00 0.17 1.08 0.50 -0.69 0.00 0.00 174.62 175.68 1fjh h LYS 77 N 5.57 -0.04 -5.07 4.92 3.64 -1.94 -3.32 116.57 120.34 1fjh h LYS 77 Ca -0.44 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.28 1fjh h LYS 77 Cb 1.21 0.01 -0.17 0.00 -0.41 0.00 0.00 32.23 32.87 1fjh h LYS 77 CO 0.77 -0.02 0.32 0.54 -2.27 0.00 0.00 179.45 178.78 1fjh s VAL 78 N -3.37 4.58 0.53 2.00 0.11 -1.26 -4.92 120.40 118.08 1fjh s VAL 78 Ca -0.02 -0.66 0.23 0.00 -2.93 0.00 0.00 61.98 58.60 1fjh s VAL 78 Cb 0.01 -4.58 0.35 0.00 -1.53 0.00 0.00 36.38 30.64 1fjh s VAL 78 CO 0.09 -1.27 2.06 -0.07 -3.33 0.00 0.00 175.10 172.57 1fjh h LEU 79 N 10.63 0.00 -1.57 2.54 3.38 -1.94 -1.81 115.31 126.54 1fjh h LEU 79 Ca -0.29 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.73 1fjh h LEU 79 Cb 1.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1fjh h LEU 79 CO 1.13 0.00 0.36 1.23 0.09 0.00 0.00 178.44 181.25 1fjh h GLY 80 N 0.00 0.65 2.00 0.83 0.00 -1.91 -0.89 103.07 103.75 1fjh h GLY 80 Ca 0.15 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 1fjh h GLY 80 CO -0.00 0.17 -0.35 3.43 0.00 0.00 0.00 176.54 179.79 1fjh h ASN 81 N 0.54 0.00 -0.40 0.19 2.35 -1.68 -1.94 115.58 114.65 1fjh h ASN 81 Ca 0.23 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 1fjh h ASN 81 Cb 0.22 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1fjh h ASN 81 CO -0.06 0.35 0.17 0.58 -1.65 0.00 0.00 177.43 176.82 1fjh h VAL 82 N 0.00 1.19 -0.28 2.81 2.07 -1.26 -0.49 116.25 120.30 1fjh h VAL 82 Ca -0.00 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 1fjh h VAL 82 Cb 0.68 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1fjh h VAL 82 CO 0.05 0.21 -0.04 0.58 0.02 0.00 0.00 177.57 178.38 1fjh h VAL 83 N 0.50 1.27 0.29 2.57 2.07 -1.41 -1.22 116.25 120.33 1fjh h VAL 83 Ca 0.14 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1fjh h VAL 83 Cb 0.16 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1fjh h VAL 83 CO -0.01 0.33 -0.14 0.28 0.02 0.00 0.00 177.57 178.04 1fjh h SER 84 N 0.28 -0.33 0.01 0.57 0.02 -1.23 -1.89 113.55 110.98 1fjh h SER 84 Ca 0.07 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1fjh h SER 84 Cb 0.50 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1fjh h SER 84 CO 0.02 -0.19 -0.00 0.58 -1.14 0.00 0.00 176.83 176.09 1fjh h VAL 85 N -0.44 1.30 -0.64 2.27 2.07 -1.14 0.56 116.25 120.22 1fjh h VAL 85 Ca -0.04 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 1fjh h VAL 85 Cb 0.34 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 1fjh h VAL 85 CO 0.07 0.24 0.28 0.78 0.02 0.00 0.00 177.57 178.96 1fjh h ASN 86 N -0.41 0.83 0.00 0.57 4.21 -1.29 -2.61 115.58 116.89 1fjh h ASN 86 Ca -0.00 -0.10 0.00 0.00 1.21 0.00 0.00 56.30 57.41 1fjh h ASN 86 Cb 0.40 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 1fjh h ASN 86 CO 0.00 0.72 0.00 0.00 -1.29 0.00 0.00 177.43 176.86 1fjh n TYR 87 N -4.33 0.00 0.16 1.19 9.36 -0.71 -4.37 117.16 118.46 1fjh n TYR 87 Ca 0.06 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.33 1fjh n TYR 87 Cb 0.15 -0.02 0.51 0.00 -0.63 0.00 0.00 39.34 39.34 1fjh n TYR 87 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1fjh h PHE 88 N 0.00 0.18 0.00 2.98 0.04 -1.52 0.14 116.94 118.76 1fjh h PHE 88 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1fjh h PHE 88 Cb 0.00 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.09 1fjh h PHE 88 CO 0.00 0.19 0.00 0.78 -0.60 0.00 0.00 178.31 178.68 1fjh h GLY 89 N 0.39 0.00 0.00 -1.45 0.00 -0.49 -2.23 103.07 99.29 1fjh h GLY 89 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.09 1fjh h GLY 89 CO 0.00 0.00 -1.91 0.00 0.00 0.00 0.00 176.54 174.63 1fjh n ALA 90 N -2.00 1.50 -0.13 3.60 0.00 -0.04 -4.42 120.51 119.03 1fjh n ALA 90 Ca -0.01 -0.83 -0.08 0.00 0.00 0.00 0.00 53.44 52.51 1fjh n ALA 90 Cb 0.14 0.18 -0.00 0.00 0.00 0.00 0.00 19.45 19.77 1fjh n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fjh h THR 91 N -0.80 1.14 -0.39 0.00 1.03 -0.83 -0.63 112.91 112.43 1fjh h THR 91 Ca -0.44 -0.32 -0.07 0.00 -0.01 0.00 0.00 66.41 65.57 1fjh h THR 91 Cb 1.34 0.64 -0.02 0.00 -1.07 0.00 0.00 68.15 69.04 1fjh h THR 91 CO -0.26 0.14 -0.06 -0.33 -0.01 0.00 0.00 175.52 174.99 1fjh h GLU 92 N 0.51 0.65 -0.06 0.00 5.08 -1.63 -1.24 114.58 117.88 1fjh h GLU 92 Ca 0.14 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1fjh h GLU 92 Cb 0.02 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1fjh h GLU 92 CO -0.03 0.71 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.49 1fjh h LEU 93 N 0.60 0.21 -0.89 1.33 4.07 -1.68 -1.62 115.31 117.33 1fjh h LEU 93 Ca 0.12 -0.58 -0.05 0.00 0.08 0.00 0.00 57.88 57.45 1fjh h LEU 93 Cb 0.47 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.12 1fjh h LEU 93 CO 0.02 0.75 0.23 0.00 -1.08 0.00 0.00 178.44 178.36 1fjh h MET 94 N -0.32 1.04 -0.38 1.13 -0.00 -1.04 0.18 114.93 115.54 1fjh h MET 94 Ca 0.00 -0.20 -0.10 0.00 -0.00 0.00 0.00 59.70 59.39 1fjh h MET 94 Cb 0.72 -0.16 -0.02 0.00 -0.00 0.00 0.00 31.60 32.14 1fjh h MET 94 CO 0.03 0.88 -0.18 -0.44 -0.00 0.00 0.00 176.91 177.20 1fjh h ASP 95 N 1.01 0.73 0.89 -0.10 3.32 -1.25 -2.13 116.42 118.89 1fjh h ASP 95 Ca 0.23 -0.24 -0.12 0.00 0.02 0.00 0.00 57.03 56.91 1fjh h ASP 95 Cb 0.27 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1fjh h ASP 95 CO -0.01 0.91 -0.59 0.00 -1.72 0.00 0.00 179.24 177.82 1fjh h ALA 96 N 1.15 0.82 -0.00 3.45 0.00 -0.92 -3.28 119.26 120.48 1fjh h ALA 96 Ca 0.10 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1fjh h ALA 96 Cb 0.66 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1fjh h ALA 96 CO 0.05 0.74 -0.48 1.19 0.00 0.00 0.00 179.25 180.75 1fjh n PHE 97 N -3.54 0.00 -0.21 0.00 3.72 0.02 -4.34 117.46 113.11 1fjh n PHE 97 Ca -0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1fjh n PHE 97 Cb 0.66 -0.19 0.11 0.00 -0.94 0.00 0.00 39.48 39.12 1fjh n PHE 97 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1fjh h LEU 98 N 0.35 0.33 -1.30 4.37 6.46 -1.45 -0.72 115.31 123.35 1fjh h LEU 98 Ca 0.00 0.06 0.08 0.00 -0.12 0.00 0.00 57.88 57.91 1fjh h LEU 98 Cb 0.51 0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.40 1fjh h LEU 98 CO 0.00 0.20 0.53 -0.65 -0.62 0.00 0.00 178.44 177.89 1fjh h PRO 99 N 0.49 0.79 -0.22 5.25 0.11 -1.82 -0.21 132.00 136.39 1fjh h PRO 99 Ca 0.31 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 66.21 1fjh h PRO 99 Cb 0.34 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1fjh h PRO 99 CO -0.27 0.52 -0.49 0.00 -0.21 0.00 0.00 178.00 177.55 1fjh h ALA 100 N 1.58 0.35 -0.59 -0.75 0.00 -1.47 -3.16 119.26 115.22 1fjh h ALA 100 Ca 0.36 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1fjh h ALA 100 Cb 0.34 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1fjh h ALA 100 CO -0.14 0.52 0.15 -0.07 0.00 0.00 0.00 179.25 179.72 1fjh h LEU 101 N 0.43 0.86 -1.91 0.00 -0.00 -0.62 -2.25 115.31 111.81 1fjh h LEU 101 Ca 0.00 -0.16 0.14 0.00 -0.00 0.00 0.00 57.88 57.86 1fjh h LEU 101 Cb 1.10 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 41.51 1fjh h LEU 101 CO 0.11 0.83 0.38 0.50 -0.00 0.00 0.00 178.44 180.26 1fjh h LYS 102 N 0.88 0.09 -0.00 1.13 3.64 -1.02 0.18 116.57 121.47 1fjh h LYS 102 Ca 0.19 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1fjh h LYS 102 Cb 0.31 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1fjh h LYS 102 CO -0.00 0.06 -0.18 1.63 -2.27 0.00 0.00 179.45 178.68 1fjh n LYS 103 N -4.41 0.49 -2.02 1.90 5.02 -0.94 -4.94 118.16 113.26 1fjh n LYS 103 Ca 0.10 -0.19 -0.29 0.00 -2.02 0.00 0.00 58.31 55.91 1fjh n LYS 103 Cb 0.55 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 34.21 1fjh n LYS 103 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1fjh s GLY 104 N -2.65 1.72 -0.28 0.72 0.00 0.64 -4.84 107.32 102.63 1fjh s GLY 104 Ca 0.23 -1.10 -0.14 0.00 0.00 0.00 0.00 44.72 43.71 1fjh s GLY 104 CO 0.53 -0.45 0.35 -1.58 0.00 0.00 0.00 173.10 171.94 1fjh s HIS 105 N -3.67 3.24 -1.44 1.90 2.46 -1.26 -4.31 115.29 112.21 1fjh s HIS 105 Ca 0.69 0.32 -0.01 0.00 0.47 0.00 0.00 55.06 56.53 1fjh s HIS 105 Cb -0.06 -2.56 0.01 0.00 -0.13 0.00 0.00 32.58 29.84 1fjh s HIS 105 CO 0.50 -0.24 0.40 1.04 -2.47 0.00 0.00 174.74 173.97 1fjh n GLN 106 N 5.30 -3.05 -1.80 2.88 6.02 -1.26 -4.84 117.38 120.63 1fjh n GLN 106 Ca -0.09 0.37 -0.41 0.00 -0.01 0.00 0.00 57.00 56.86 1fjh n GLN 106 Cb 0.51 -4.48 -0.00 0.00 1.02 0.00 0.00 30.24 27.29 1fjh n GLN 106 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1fjh s PRO 107 N -6.67 4.11 0.04 -1.09 0.04 -1.26 -4.95 135.00 125.23 1fjh s PRO 107 Ca 0.06 2.57 -0.20 0.00 0.04 0.00 0.00 61.00 63.47 1fjh s PRO 107 Cb -0.03 -2.98 0.04 0.00 0.04 0.00 0.00 34.50 31.57 1fjh s PRO 107 CO 0.90 -0.55 0.46 0.00 0.04 0.00 0.00 177.00 177.85 1fjh s ALA 108 N -0.90 -1.15 0.03 8.56 0.00 -1.14 -2.65 121.76 124.51 1fjh s ALA 108 Ca 0.55 0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.99 1fjh s ALA 108 Cb -0.47 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 1fjh s ALA 108 CO 0.60 -0.46 -0.06 0.00 0.00 0.00 0.00 175.76 175.85 1fjh s ALA 109 N -2.32 0.41 -0.04 0.00 0.00 0.22 -2.21 121.76 117.82 1fjh s ALA 109 Ca -0.06 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1fjh s ALA 109 Cb -0.01 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.17 1fjh s ALA 109 CO -0.01 -0.03 -0.08 0.08 0.00 0.00 0.00 175.76 175.71 1fjh s VAL 110 N -1.13 0.79 -0.13 0.00 1.01 0.08 -1.98 120.40 119.03 1fjh s VAL 110 Ca -0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 1fjh s VAL 110 Cb -0.08 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 1fjh s VAL 110 CO -0.00 0.27 -0.14 -0.69 0.00 0.00 0.00 175.10 174.54 1fjh s VAL 111 N 0.58 2.96 -0.44 2.92 1.01 -0.36 -1.27 120.40 125.79 1fjh s VAL 111 Ca -0.09 -0.69 -0.25 0.00 0.00 0.00 0.00 61.98 60.95 1fjh s VAL 111 Cb -0.13 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 34.04 1fjh s VAL 111 CO 0.01 0.52 0.87 -0.63 0.00 0.00 0.00 175.10 175.87 1fjh s ILE 112 N 0.45 4.56 0.00 2.22 1.01 -0.67 -1.88 121.20 126.89 1fjh s ILE 112 Ca -0.10 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.25 1fjh s ILE 112 Cb -0.16 -4.37 0.00 0.00 0.01 0.00 0.00 42.46 37.94 1fjh s ILE 112 CO 0.05 -0.73 0.00 -0.24 0.00 0.00 0.00 174.94 174.02 1fjh n SER 113 N 6.92 0.00 -3.62 3.58 2.88 -0.33 -4.93 113.62 118.12 1fjh n SER 113 Ca 0.05 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.55 1fjh n SER 113 Cb 0.48 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.91 1fjh n SER 113 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1fjh s SER 114 N -1.00 -0.11 0.58 -3.46 0.15 -1.25 -4.54 113.70 104.06 1fjh s SER 114 Ca 0.00 0.07 0.30 0.00 0.70 0.00 0.00 55.95 57.02 1fjh s SER 114 Cb 0.00 0.10 1.76 0.00 -1.71 0.00 0.00 66.02 66.17 1fjh s SER 114 CO 0.00 -0.14 2.22 -0.37 1.20 0.00 0.00 173.24 176.14 1fjh h VAL 115 N 2.09 0.51 0.00 4.45 -1.51 -1.42 -0.52 116.25 119.85 1fjh h VAL 115 Ca -0.09 -0.14 -0.00 0.00 -1.23 0.00 0.00 66.70 65.24 1fjh h VAL 115 Cb 1.17 1.09 -0.00 0.00 -2.13 0.00 0.00 31.29 31.42 1fjh h VAL 115 CO 0.23 0.03 -0.00 0.00 -1.23 0.00 0.00 177.57 176.60 1fjh h ALA 116 N 1.97 1.05 0.00 5.19 0.00 -1.92 -1.55 119.26 124.00 1fjh h ALA 116 Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fjh h ALA 116 Cb 0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1fjh h ALA 116 CO 0.00 0.00 -0.00 0.66 0.00 0.00 0.00 179.25 179.92 1fjh h SER 117 N 0.00 0.00 -0.48 0.00 4.64 -1.33 -0.76 113.55 115.62 1fjh h SER 117 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fjh h SER 117 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1fjh h SER 117 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1fjh n ALA 118 N -2.28 2.42 1.01 5.18 0.00 -0.58 -4.16 120.51 122.10 1fjh n ALA 118 Ca -0.03 -1.02 0.10 0.00 0.00 0.00 0.00 53.44 52.49 1fjh n ALA 118 Cb 0.08 -0.92 0.32 0.00 0.00 0.00 0.00 19.45 18.92 1fjh n ALA 118 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1fjh n HIS 119 N 1.37 0.30 -3.73 0.00 8.25 -0.29 -4.83 115.22 116.30 1fjh n HIS 119 Ca 0.20 -0.15 -0.12 0.00 -0.26 0.00 0.00 57.72 57.39 1fjh n HIS 119 Cb 0.57 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.57 1fjh n HIS 119 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1fjh s LEU 120 N -1.47 0.35 0.17 2.41 2.96 -1.26 -5.12 118.68 116.73 1fjh s LEU 120 Ca 0.32 0.80 -0.28 0.00 -0.22 0.00 0.00 54.13 54.76 1fjh s LEU 120 Cb 0.18 1.32 -0.08 0.00 0.50 0.00 0.00 46.19 48.11 1fjh s LEU 120 CO 0.26 -0.15 0.87 0.00 -1.32 0.00 0.00 176.35 176.00 1fjh s ALA 121 N 0.55 3.37 0.28 5.97 0.00 -1.26 -4.95 121.76 125.71 1fjh s ALA 121 Ca -0.03 0.48 -0.00 0.00 0.00 0.00 0.00 51.96 52.41 1fjh s ALA 121 Cb -0.04 -3.11 0.49 0.00 0.00 0.00 0.00 23.12 20.46 1fjh s ALA 121 CO -0.03 0.19 1.86 0.35 0.00 0.00 0.00 175.76 178.13 1fjh h PHE 122 N 4.59 1.17 0.00 0.00 3.04 -1.93 0.53 116.94 124.33 1fjh h PHE 122 Ca -0.45 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.53 1fjh h PHE 122 Cb 1.20 -0.38 0.00 0.00 2.56 0.00 0.00 35.95 39.34 1fjh h PHE 122 CO 0.63 0.53 0.00 -0.40 -2.02 0.00 0.00 178.31 177.05 1fjh n ASP 123 N -4.56 0.00 -0.02 0.41 3.85 -1.26 -2.24 116.55 112.72 1fjh n ASP 123 Ca 0.17 0.48 0.03 0.00 -0.71 0.00 0.00 54.79 54.76 1fjh n ASP 123 Cb 0.28 -0.49 0.04 0.00 -1.35 0.00 0.00 41.12 39.60 1fjh n ASP 123 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1fjh n LYS 124 N -1.49 2.44 -2.92 0.11 4.76 0.03 -4.98 118.16 116.11 1fjh n LYS 124 Ca 0.04 -1.81 -0.43 0.00 -2.87 0.00 0.00 58.31 53.24 1fjh n LYS 124 Cb 0.19 -1.14 -0.05 0.00 -1.84 0.00 0.00 35.03 32.19 1fjh n LYS 124 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1fjh s ASN 125 N -1.55 6.34 0.29 4.39 3.84 -0.34 -4.81 114.94 123.10 1fjh s ASN 125 Ca 0.10 -0.40 0.15 0.00 0.21 0.00 0.00 52.86 52.92 1fjh s ASN 125 Cb 0.08 -2.40 0.80 0.00 -0.55 0.00 0.00 41.25 39.18 1fjh s ASN 125 CO 0.01 -1.10 1.38 -0.81 -2.79 0.00 0.00 177.10 173.79 1fjh n PRO 126 N 7.08 0.10 -0.01 0.43 -0.04 -1.26 -0.98 135.00 140.32 1fjh n PRO 126 Ca 0.00 0.57 0.10 0.00 -0.04 0.00 0.00 63.50 64.14 1fjh n PRO 126 Cb 0.47 -2.00 -0.15 0.00 -0.04 0.00 0.00 33.50 31.78 1fjh n PRO 126 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1fjh n LEU 127 N -2.05 0.25 -0.15 1.53 4.77 -1.26 -4.72 117.00 115.36 1fjh n LEU 127 Ca -0.01 -0.13 -0.06 0.00 -0.03 0.00 0.00 56.01 55.78 1fjh n LEU 127 Cb 0.20 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 1fjh n LEU 127 CO 0.07 0.06 0.49 0.00 -1.33 0.00 0.00 177.39 176.68 1fjh h ALA 128 N 2.13 -0.36 -0.33 -1.18 0.00 -1.36 -0.68 119.26 117.49 1fjh h ALA 128 Ca 0.00 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1fjh h ALA 128 Cb 0.82 1.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.65 1fjh h ALA 128 CO 0.00 -0.53 0.11 -0.07 0.00 0.00 0.00 179.25 178.77 1fjh h LEU 129 N -0.07 0.13 -0.04 0.00 -0.00 -1.85 -0.57 115.31 112.91 1fjh h LEU 129 Ca 0.06 0.03 0.02 0.00 -0.00 0.00 0.00 57.88 57.99 1fjh h LEU 129 Cb 0.22 0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 40.89 1fjh h LEU 129 CO -0.38 0.11 -0.05 0.00 -0.00 0.00 0.00 178.44 178.11 1fjh h ALA 130 N 1.21 -0.02 -0.22 1.53 0.00 -1.80 0.51 119.26 120.46 1fjh h ALA 130 Ca 0.15 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1fjh h ALA 130 Cb 0.12 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1fjh h ALA 130 CO -0.15 -0.53 0.12 -0.07 0.00 0.00 0.00 179.25 178.62 1fjh h LEU 131 N -0.07 0.20 -1.20 0.00 3.38 -0.93 0.48 115.31 117.17 1fjh h LEU 131 Ca 0.04 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1fjh h LEU 131 Cb 0.13 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1fjh h LEU 131 CO -0.09 0.15 0.54 -0.33 0.09 0.00 0.00 178.44 178.80 1fjh h GLU 132 N 0.26 1.06 0.00 1.13 5.08 -0.91 -0.85 114.58 120.36 1fjh h GLU 132 Ca 0.09 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1fjh h GLU 132 Cb -0.00 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.01 1fjh h GLU 132 CO -0.04 0.70 0.00 0.00 -1.00 0.00 0.00 179.01 178.67 1fjh n ALA 133 N -2.41 2.19 -1.03 3.43 0.00 0.15 -4.90 120.51 117.93 1fjh n ALA 133 Ca 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1fjh n ALA 133 Cb 0.04 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.07 1fjh n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fjh n GLY 134 N 1.18 0.49 3.50 0.00 0.00 -0.04 -4.97 105.19 105.36 1fjh n GLY 134 Ca 0.06 -0.84 -0.44 0.00 0.00 0.00 0.00 46.02 44.81 1fjh n GLY 134 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fjh s GLU 135 N -1.76 4.06 0.11 1.61 2.02 -0.07 -4.85 118.70 119.82 1fjh s GLU 135 Ca 0.00 -2.41 -0.20 0.00 0.02 0.00 0.00 54.97 52.38 1fjh s GLU 135 Cb 0.00 -5.20 -0.09 0.00 0.10 0.00 0.00 34.13 28.94 1fjh s GLU 135 CO 0.00 -1.91 1.76 1.49 0.02 0.00 0.00 175.26 176.62 1fjh h GLU 136 N 7.30 0.18 -0.56 1.61 4.81 -1.93 -1.50 114.58 124.49 1fjh h GLU 136 Ca 0.35 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.61 1fjh h GLU 136 Cb 0.87 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.17 1fjh h GLU 136 CO 1.31 0.12 0.32 0.00 -0.73 0.00 0.00 179.01 180.02 1fjh h ALA 137 N 1.06 0.73 -0.50 2.92 0.00 -1.99 0.15 119.26 121.64 1fjh h ALA 137 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1fjh h ALA 137 Cb -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1fjh h ALA 137 CO -0.02 0.01 0.29 -0.22 0.00 0.00 0.00 179.25 179.31 1fjh h LYS 138 N 0.62 0.68 -0.41 0.00 3.64 -1.92 -0.57 116.57 118.60 1fjh h LYS 138 Ca 0.24 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1fjh h LYS 138 Cb 0.08 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1fjh h LYS 138 CO -0.13 0.50 0.15 0.00 -2.27 0.00 0.00 179.45 177.70 1fjh h ALA 139 N 1.14 0.53 -0.71 5.00 0.00 -0.77 -1.80 119.26 122.65 1fjh h ALA 139 Ca 0.18 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1fjh h ALA 139 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1fjh h ALA 139 CO -0.03 0.16 0.28 0.00 0.00 0.00 0.00 179.25 179.65 1fjh h ARG 140 N 0.52 1.06 -0.80 0.00 3.08 -0.79 -2.47 114.38 114.98 1fjh h ARG 140 Ca 0.13 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1fjh h ARG 140 Cb 0.22 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 1fjh h ARG 140 CO -0.01 0.88 0.46 0.00 -1.07 0.00 0.00 179.97 180.23 1fjh h ALA 141 N 1.13 1.30 -0.40 0.04 0.00 -0.91 -1.57 119.26 118.86 1fjh h ALA 141 Ca 0.24 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1fjh h ALA 141 Cb 0.22 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1fjh h ALA 141 CO -0.02 0.58 0.18 0.82 0.00 0.00 0.00 179.25 180.82 1fjh h ILE 142 N 1.10 0.95 0.00 0.00 2.04 -0.85 -1.59 117.51 119.17 1fjh h ILE 142 Ca 0.28 -0.13 -0.18 0.00 1.00 0.00 0.00 64.86 65.83 1fjh h ILE 142 Cb -0.01 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1fjh h ILE 142 CO -0.05 0.07 -0.86 -0.37 0.00 0.00 0.00 178.15 176.94 1fjh h VAL 143 N 0.38 1.57 0.00 1.67 -1.51 -1.38 -2.55 116.25 114.43 1fjh h VAL 143 Ca 0.17 -3.00 0.00 0.00 -1.23 0.00 0.00 66.70 62.64 1fjh h VAL 143 Cb 0.10 2.64 0.00 0.00 -2.13 0.00 0.00 31.29 31.90 1fjh h VAL 143 CO -0.14 0.84 0.00 -0.62 -1.23 0.00 0.00 177.57 176.43 1fjh n GLU 144 N -3.44 0.00 -0.05 5.19 1.02 -0.61 -2.90 120.64 119.86 1fjh n GLU 144 Ca -0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 1fjh n GLU 144 Cb 0.84 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.82 1fjh n GLU 144 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1fjh n HIS 145 N -1.51 0.12 0.13 -0.32 8.25 -0.61 -4.59 115.22 116.69 1fjh n HIS 145 Ca 0.07 -0.17 -0.01 0.00 -0.26 0.00 0.00 57.72 57.35 1fjh n HIS 145 Cb 0.34 -0.01 0.15 0.00 1.12 0.00 0.00 29.99 31.59 1fjh n HIS 145 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fjh h ALA 146 N 1.65 0.90 -0.38 -1.41 0.00 -1.32 -3.49 119.26 115.22 1fjh h ALA 146 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1fjh h ALA 146 Cb 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1fjh h ALA 146 CO 0.00 0.81 0.00 0.41 0.00 0.00 0.00 179.25 180.47 1fjh n GLY 147 N 0.38 1.87 3.51 0.00 0.00 -1.26 -4.73 105.19 104.96 1fjh n GLY 147 Ca -0.01 -0.42 -0.53 0.00 0.00 0.00 0.00 46.02 45.06 1fjh n GLY 147 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1fjh n GLU 148 N 12.75 0.42 -3.32 1.61 0.00 -1.26 -0.84 120.64 130.00 1fjh n GLU 148 Ca 0.00 0.15 -0.21 0.00 0.00 0.00 0.00 57.16 57.10 1fjh n GLU 148 Cb 0.00 -1.55 -0.02 0.00 0.00 0.00 0.00 31.44 29.88 1fjh n GLU 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1fjh n GLN 149 N 1.54 -2.75 0.24 3.44 10.64 -1.26 -4.78 117.38 124.44 1fjh n GLN 149 Ca 0.18 0.33 0.11 0.00 -1.83 0.00 0.00 57.00 55.79 1fjh n GLN 149 Cb 0.17 -4.96 0.55 0.00 -0.86 0.00 0.00 30.24 25.14 1fjh n GLN 149 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 1fjh h GLY 150 N -0.68 0.00 0.85 2.61 0.00 -1.28 -2.30 103.07 102.27 1fjh h GLY 150 Ca -0.36 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 1fjh h GLY 150 CO 0.47 0.00 -0.05 -1.33 0.00 0.00 0.00 176.54 175.64 1fjh h GLY 151 N 1.72 0.53 1.58 4.60 0.00 -1.86 0.27 103.07 109.90 1fjh h GLY 151 Ca -0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 1fjh h GLY 151 CO 0.02 0.39 -0.21 3.43 0.00 0.00 0.00 176.54 180.17 1fjh h ASN 152 N 0.24 0.49 -0.26 0.19 2.35 -1.87 -1.07 115.58 115.64 1fjh h ASN 152 Ca 0.07 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.62 1fjh h ASN 152 Cb 0.50 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1fjh h ASN 152 CO 0.02 0.71 -0.02 0.25 -1.65 0.00 0.00 177.43 176.74 1fjh h LEU 153 N 0.44 0.47 -0.68 1.61 5.85 -1.25 0.35 115.31 122.11 1fjh h LEU 153 Ca 0.07 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 1fjh h LEU 153 Cb 0.61 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1fjh h LEU 153 CO 0.04 0.68 0.41 0.00 -0.34 0.00 0.00 178.44 179.24 1fjh h ALA 154 N 0.80 0.86 0.24 1.25 0.00 -0.69 0.34 119.26 122.06 1fjh h ALA 154 Ca 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1fjh h ALA 154 Cb 0.45 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1fjh h ALA 154 CO 0.02 0.33 -0.12 -0.92 0.00 0.00 0.00 179.25 178.56 1fjh h TYR 155 N 0.92 -0.30 -0.82 0.00 3.20 -1.07 -2.20 116.97 116.70 1fjh h TYR 155 Ca 0.24 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 1fjh h TYR 155 Cb -0.04 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 1fjh h TYR 155 CO -0.02 -0.14 0.49 0.00 -1.64 0.00 0.00 178.16 176.86 1fjh h ALA 156 N -1.00 1.04 -0.41 1.82 0.00 -0.37 -1.56 119.26 118.77 1fjh h ALA 156 Ca -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1fjh h ALA 156 Cb 0.30 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1fjh h ALA 156 CO 0.05 0.51 0.19 0.78 0.00 0.00 0.00 179.25 180.79 1fjh h GLY 157 N 1.12 0.64 1.03 0.00 0.00 -0.44 0.61 103.07 106.04 1fjh h GLY 157 Ca 0.29 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 1fjh h GLY 157 CO -0.05 0.31 -0.23 1.48 0.00 0.00 0.00 176.54 178.05 1fjh h SER 158 N 0.52 0.87 -0.48 0.19 4.64 -1.23 -2.20 113.55 115.86 1fjh h SER 158 Ca 0.14 -0.42 -0.12 0.00 -0.47 0.00 0.00 61.79 60.92 1fjh h SER 158 Cb 0.13 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 1fjh h SER 158 CO -0.02 1.10 -0.17 0.11 -0.87 0.00 0.00 176.83 176.99 1fjh h LYS 159 N 0.65 0.98 -0.13 4.77 1.79 -1.18 0.26 116.57 123.70 1fjh h LYS 159 Ca 0.08 -0.39 -0.01 0.00 -2.18 0.00 0.00 60.65 58.16 1fjh h LYS 159 Cb 0.79 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.39 1fjh h LYS 159 CO 0.06 1.06 0.06 -0.97 -1.08 0.00 0.00 179.45 178.59 1fjh h ASN 160 N 0.86 0.17 -0.27 0.86 -1.24 -0.85 -1.13 115.58 113.99 1fjh h ASN 160 Ca 0.12 -0.14 -0.03 0.00 0.71 0.00 0.00 56.30 56.97 1fjh h ASN 160 Cb 0.73 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.72 1fjh h ASN 160 CO 0.06 0.26 0.10 0.00 -1.29 0.00 0.00 177.43 176.56 1fjh h ALA 161 N 0.92 1.54 -0.05 1.57 0.00 -1.28 -2.25 119.26 119.72 1fjh h ALA 161 Ca 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1fjh h ALA 161 Cb 0.14 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1fjh h ALA 161 CO -0.00 0.35 0.01 1.25 0.00 0.00 0.00 179.25 180.85 1fjh h LEU 162 N 0.48 0.08 -1.08 0.00 6.46 -0.49 0.15 115.31 120.91 1fjh h LEU 162 Ca 0.12 -0.28 -0.00 0.00 -0.12 0.00 0.00 57.88 57.60 1fjh h LEU 162 Cb 0.16 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.03 1fjh h LEU 162 CO -0.01 0.34 0.51 0.74 -0.62 0.00 0.00 178.44 179.40 1fjh h THR 163 N -0.18 1.23 -0.49 1.05 2.02 -0.98 -0.85 112.91 114.72 1fjh h THR 163 Ca 0.01 -0.50 -0.13 0.00 0.77 0.00 0.00 66.41 66.56 1fjh h THR 163 Cb 0.29 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1fjh h THR 163 CO 0.00 0.24 -0.21 0.58 0.37 0.00 0.00 175.52 176.50 1fjh h VAL 164 N 1.16 1.27 -0.77 3.16 2.07 -1.27 -1.79 116.25 120.08 1fjh h VAL 164 Ca 0.30 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1fjh h VAL 164 Cb -0.05 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1fjh h VAL 164 CO -0.06 0.48 0.50 0.00 0.02 0.00 0.00 177.57 178.51 1fjh h ALA 165 N 0.87 0.98 -0.52 1.67 0.00 -0.31 -0.14 119.26 121.81 1fjh h ALA 165 Ca 0.11 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1fjh h ALA 165 Cb 0.80 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1fjh h ALA 165 CO 0.07 0.41 -0.14 -0.39 0.00 0.00 0.00 179.25 179.20 1fjh h VAL 166 N 1.05 1.27 -0.19 0.00 -1.51 -1.03 -2.93 116.25 112.92 1fjh h VAL 166 Ca 0.28 -1.29 -0.12 0.00 -1.23 0.00 0.00 66.70 64.35 1fjh h VAL 166 Cb -0.10 1.01 -0.01 0.00 -2.13 0.00 0.00 31.29 30.06 1fjh h VAL 166 CO -0.06 0.45 -0.38 0.03 -1.23 0.00 0.00 177.57 176.38 1fjh h ARG 167 N 0.88 0.41 0.00 5.19 3.08 -0.80 -2.44 114.38 120.70 1fjh h ARG 167 Ca 0.13 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1fjh h ARG 167 Cb 0.70 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1fjh h ARG 167 CO 0.05 0.73 0.00 1.63 -1.07 0.00 0.00 179.97 181.32 1fjh n LYS 168 N -4.04 0.07 0.00 0.04 5.02 -0.11 -2.21 118.16 116.92 1fjh n LYS 168 Ca -0.01 0.24 0.12 0.00 -2.02 0.00 0.00 58.31 56.64 1fjh n LYS 168 Cb 0.48 -1.61 0.15 0.00 -0.02 0.00 0.00 35.03 34.03 1fjh n LYS 168 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1fjh n ARG 169 N -1.73 1.59 -0.20 1.97 1.74 -0.93 -4.49 116.66 114.62 1fjh n ARG 169 Ca 0.04 -1.24 -0.01 0.00 -0.77 0.00 0.00 57.85 55.87 1fjh n ARG 169 Cb 0.24 -1.47 0.10 0.00 -1.02 0.00 0.00 32.46 30.30 1fjh n ARG 169 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fjh h ALA 170 N 4.19 0.76 0.27 7.54 0.00 -1.37 0.13 119.26 130.78 1fjh h ALA 170 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1fjh h ALA 170 Cb 0.77 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1fjh h ALA 170 CO 0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 179.25 178.96 1fjh h ALA 171 N 1.38 -0.36 -0.58 0.00 0.00 -1.81 0.56 119.26 118.46 1fjh h ALA 171 Ca 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1fjh h ALA 171 Cb 0.32 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1fjh h ALA 171 CO -0.27 -0.64 0.29 0.00 0.00 0.00 0.00 179.25 178.63 1fjh h ALA 172 N 0.22 0.75 -0.26 0.00 0.00 -1.81 -0.56 119.26 117.60 1fjh h ALA 172 Ca -0.04 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1fjh h ALA 172 Cb 0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1fjh h ALA 172 CO 0.06 0.29 -0.37 -1.49 0.00 0.00 0.00 179.25 177.74 1fjh h TRP 173 N 0.79 0.68 -0.45 0.00 4.06 -0.94 -1.99 115.95 118.09 1fjh h TRP 173 Ca 0.20 -0.19 -0.07 0.00 2.06 0.00 0.00 58.89 60.90 1fjh h TRP 173 Cb 0.09 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 28.09 1fjh h TRP 173 CO -0.00 0.87 0.02 0.78 -3.56 0.00 0.00 178.44 176.55 1fjh h GLY 174 N 1.04 0.85 1.81 1.49 0.00 -0.62 -0.39 103.07 107.25 1fjh h GLY 174 Ca 0.05 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 1fjh h GLY 174 CO 0.07 0.56 0.06 0.83 0.00 0.00 0.00 176.54 178.07 1fjh h GLU 175 N 0.64 0.25 -0.00 4.80 5.08 -0.94 -0.02 114.58 124.38 1fjh h GLU 175 Ca 0.13 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1fjh h GLU 175 Cb 0.47 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1fjh h GLU 175 CO 0.02 0.22 -0.06 0.00 -1.00 0.00 0.00 179.01 178.19 1fjh n ALA 176 N -2.50 2.56 -1.15 3.43 0.00 -0.76 -4.92 120.51 117.15 1fjh n ALA 176 Ca -0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 53.44 53.27 1fjh n ALA 176 Cb 0.12 -1.43 -0.00 0.00 0.00 0.00 0.00 19.45 18.15 1fjh n ALA 176 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fjh n GLY 177 N 1.40 0.38 3.17 0.00 0.00 -0.02 -4.80 105.19 105.32 1fjh n GLY 177 Ca 0.10 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 1fjh n GLY 177 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fjh s VAL 178 N -2.00 2.30 0.38 1.61 1.01 -0.25 -4.62 120.40 118.83 1fjh s VAL 178 Ca 0.00 -0.87 -0.25 0.00 0.00 0.00 0.00 61.98 60.86 1fjh s VAL 178 Cb 0.00 -1.97 -0.09 0.00 0.00 0.00 0.00 36.38 34.32 1fjh s VAL 178 CO 0.00 0.52 1.05 -0.13 0.00 0.00 0.00 175.10 176.54 1fjh s ARG 179 N 1.15 4.24 -0.10 2.72 0.52 -1.08 -4.04 118.95 122.36 1fjh s ARG 179 Ca 0.01 1.54 -0.03 0.00 -0.52 0.00 0.00 55.73 56.72 1fjh s ARG 179 Cb -0.14 -2.63 0.05 0.00 0.52 0.00 0.00 34.95 32.75 1fjh s ARG 179 CO -0.08 -0.08 0.14 -1.17 0.02 0.00 0.00 175.30 174.14 1fjh s LEU 180 N -2.48 -0.01 0.18 2.53 2.96 -1.26 -0.61 118.68 120.01 1fjh s LEU 180 Ca 0.56 0.14 -0.00 0.00 -0.22 0.00 0.00 54.13 54.61 1fjh s LEU 180 Cb -0.23 0.17 -0.04 0.00 0.50 0.00 0.00 46.19 46.59 1fjh s LEU 180 CO 0.29 -0.26 0.08 0.20 -1.32 0.00 0.00 176.35 175.33 1fjh s ASN 181 N 2.26 0.54 0.26 3.68 0.01 -0.84 -0.38 114.94 120.47 1fjh s ASN 181 Ca 0.04 -1.30 0.10 0.00 -0.71 0.00 0.00 52.86 50.99 1fjh s ASN 181 Cb -0.13 0.28 -0.05 0.00 0.41 0.00 0.00 41.25 41.76 1fjh s ASN 181 CO -0.06 -0.74 -0.16 0.42 -1.51 0.00 0.00 177.10 175.04 1fjh s THR 182 N -3.98 2.13 0.12 1.60 -4.23 -0.23 -1.22 115.64 109.83 1fjh s THR 182 Ca 0.32 -2.30 0.11 0.00 -1.18 0.00 0.00 61.69 58.63 1fjh s THR 182 Cb 0.07 -2.25 -0.04 0.00 1.34 0.00 0.00 72.50 71.63 1fjh s THR 182 CO 0.08 -0.45 -0.27 0.27 -0.54 0.00 0.00 174.62 173.71 1fjh s ILE 183 N -2.73 2.23 -0.50 2.99 -4.36 -0.79 -1.26 121.20 116.80 1fjh s ILE 183 Ca 0.27 -1.72 0.03 0.00 -0.26 0.00 0.00 60.65 58.97 1fjh s ILE 183 Cb -0.02 -1.97 0.14 0.00 1.25 0.00 0.00 42.46 41.85 1fjh s ILE 183 CO 0.12 0.11 0.27 0.00 0.24 0.00 0.00 174.94 175.68 1fjh s ALA 184 N -1.04 2.79 0.63 2.27 0.00 0.10 -1.19 121.76 125.33 1fjh s ALA 184 Ca 0.14 -3.00 -0.18 0.00 0.00 0.00 0.00 51.96 48.91 1fjh s ALA 184 Cb -0.10 -2.02 -0.01 0.00 0.00 0.00 0.00 23.12 20.98 1fjh s ALA 184 CO 0.06 -2.05 1.23 -2.14 0.00 0.00 0.00 175.76 172.86 1fjh s PRO 185 N -0.10 2.70 -0.12 0.00 0.02 -1.26 -1.65 135.00 134.58 1fjh s PRO 185 Ca 0.18 1.88 -0.08 0.00 0.02 0.00 0.00 61.00 63.01 1fjh s PRO 185 Cb -0.22 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.38 1fjh s PRO 185 CO -0.02 -1.43 -0.15 0.78 -0.33 0.00 0.00 177.00 175.85 1fjh h GLY 186 N 0.56 0.00 0.00 0.52 0.00 -1.74 -1.55 103.07 100.86 1fjh h GLY 186 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1fjh h GLY 186 CO 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 177.03 1fjh n ALA 187 N -3.41 2.81 0.00 3.60 0.00 -1.26 -4.78 120.51 117.47 1fjh n ALA 187 Ca -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1fjh n ALA 187 Cb 0.22 0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1fjh n ALA 187 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1fjh n PHE 209 N -3.18 0.00 -4.78 0.00 7.35 -1.26 -4.98 117.46 110.62 1fjh n PHE 209 Ca -0.01 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.35 1fjh n PHE 209 Cb 0.03 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 39.72 1fjh n PHE 209 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1fjh s VAL 210 N 0.00 3.21 0.32 -2.13 1.01 -1.26 -5.08 120.40 116.47 1fjh s VAL 210 Ca 0.00 -0.64 -0.27 0.00 0.00 0.00 0.00 61.98 61.07 1fjh s VAL 210 Cb 0.00 -2.31 -0.14 0.00 0.00 0.00 0.00 36.38 33.93 1fjh s VAL 210 CO 0.00 0.56 0.90 -2.65 0.00 0.00 0.00 175.10 173.92 1fjh n PRO 211 N 2.80 1.13 0.02 2.72 -0.02 -1.26 -4.91 135.00 135.48 1fjh n PRO 211 Ca -0.18 0.40 -0.13 0.00 -2.02 0.00 0.00 63.50 61.57 1fjh n PRO 211 Cb 0.52 -1.75 -0.01 0.00 -0.02 0.00 0.00 33.50 32.24 1fjh n PRO 211 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1fjh h PRO 212 N 1.68 0.57 -6.49 0.52 0.13 -1.94 -3.45 132.00 123.01 1fjh h PRO 212 Ca -0.39 -0.47 -0.53 0.00 -0.87 0.00 0.00 66.00 63.74 1fjh h PRO 212 Cb 1.36 0.10 0.04 0.00 0.13 0.00 0.00 31.00 32.62 1fjh h PRO 212 CO 0.58 1.09 1.12 -0.12 -0.23 0.00 0.00 178.00 180.45 1fjh n MET 213 N -3.88 2.80 -0.55 0.86 1.56 -1.25 -2.51 117.12 114.15 1fjh n MET 213 Ca -0.06 1.02 0.00 0.00 -0.27 0.00 0.00 57.70 58.39 1fjh n MET 213 Cb 0.73 -2.92 0.00 0.00 2.15 0.00 0.00 33.22 33.18 1fjh n MET 213 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1fjh n GLY 214 N 4.26 0.71 3.18 -5.12 0.00 -1.26 -5.06 105.19 101.90 1fjh n GLY 214 Ca 0.18 -0.16 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 1fjh n GLY 214 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1fjh s ARG 215 N -0.62 0.78 0.51 1.61 1.70 -1.05 -5.16 118.95 116.73 1fjh s ARG 215 Ca 0.00 -1.02 -0.09 0.00 -0.47 0.00 0.00 55.73 54.16 1fjh s ARG 215 Cb 0.00 0.31 -0.05 0.00 -0.57 0.00 0.00 34.95 34.64 1fjh s ARG 215 CO 0.00 -0.23 0.87 1.03 -1.08 0.00 0.00 175.30 175.89 1fjh s ARG 216 N -3.85 3.65 0.34 3.89 0.52 -1.26 -4.99 118.95 117.26 1fjh s ARG 216 Ca 0.05 0.48 -0.01 0.00 -0.52 0.00 0.00 55.73 55.73 1fjh s ARG 216 Cb 0.05 -2.27 -0.04 0.00 0.52 0.00 0.00 34.95 33.21 1fjh s ARG 216 CO -0.11 -0.28 0.57 0.00 0.02 0.00 0.00 175.30 175.51 1fjh s ALA 217 N -2.77 3.66 0.16 2.13 0.00 -1.26 -5.08 121.76 118.59 1fjh s ALA 217 Ca 0.51 -0.80 -0.06 0.00 0.00 0.00 0.00 51.96 51.62 1fjh s ALA 217 Cb -0.10 -2.19 -0.06 0.00 0.00 0.00 0.00 23.12 20.76 1fjh s ALA 217 CO 0.43 0.01 0.42 -1.21 0.00 0.00 0.00 175.76 175.41 1fjh s GLU 218 N -4.18 3.67 0.55 0.00 0.41 -1.26 -4.96 118.70 112.94 1fjh s GLU 218 Ca 0.41 0.01 0.29 0.00 -0.41 0.00 0.00 54.97 55.28 1fjh s GLU 218 Cb -0.10 -2.81 1.46 0.00 -1.78 0.00 0.00 34.13 30.90 1fjh s GLU 218 CO 0.36 0.44 1.93 -1.35 -0.49 0.00 0.00 175.26 176.14 1fjh h PRO 219 N 2.81 0.00 0.00 0.39 0.11 -1.98 0.47 132.00 133.80 1fjh h PRO 219 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1fjh h PRO 219 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1fjh h PRO 219 CO 0.71 0.00 -0.14 0.66 -0.21 0.00 0.00 178.00 179.02 1fjh h SER 220 N 0.00 0.00 1.06 -2.05 4.64 -1.92 -1.57 113.55 113.72 1fjh h SER 220 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1fjh h SER 220 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1fjh h SER 220 CO -0.00 0.14 0.00 -0.62 -0.87 0.00 0.00 176.83 175.48 1fjh n GLU 221 N -4.13 0.12 -0.04 4.77 1.02 0.16 -1.23 120.64 121.31 1fjh n GLU 221 Ca -0.02 0.17 -0.22 0.00 -0.02 0.00 0.00 57.16 57.07 1fjh n GLU 221 Cb 0.22 -1.67 -0.13 0.00 -0.02 0.00 0.00 31.44 29.85 1fjh n GLU 221 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1fjh n MET 222 N -1.89 0.70 -0.13 3.49 2.81 -0.66 -3.99 117.12 117.45 1fjh n MET 222 Ca 0.05 0.34 0.00 0.00 -1.81 0.00 0.00 57.70 56.28 1fjh n MET 222 Cb 0.33 -1.70 0.27 0.00 -0.71 0.00 0.00 33.22 31.42 1fjh n MET 222 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1fjh h ALA 223 N -0.12 1.45 -0.02 3.04 0.00 -1.23 -1.71 119.26 120.67 1fjh h ALA 223 Ca -0.43 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 1fjh h ALA 223 Cb 1.82 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1fjh h ALA 223 CO -0.02 0.46 -0.35 0.66 0.00 0.00 0.00 179.25 179.99 1fjh h SER 224 N 0.83 0.03 0.13 0.00 4.64 -1.33 0.34 113.55 118.20 1fjh h SER 224 Ca 0.21 -0.01 -0.26 0.00 -0.47 0.00 0.00 61.79 61.26 1fjh h SER 224 Cb 0.03 -0.01 0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1fjh h SER 224 CO -0.03 0.38 -1.04 0.58 -0.87 0.00 0.00 176.83 175.85 1fjh h VAL 225 N 0.03 1.32 -0.57 0.95 2.07 -1.53 -2.63 116.25 115.89 1fjh h VAL 225 Ca 0.00 -2.34 -0.03 0.00 0.82 0.00 0.00 66.70 65.14 1fjh h VAL 225 Cb 0.64 2.43 -0.03 0.00 -1.52 0.00 0.00 31.29 32.82 1fjh h VAL 225 CO 0.05 0.72 0.23 0.40 0.02 0.00 0.00 177.57 178.98 1fjh h ILE 226 N 0.33 1.23 -0.77 4.57 2.04 -0.95 -0.63 117.51 123.32 1fjh h ILE 226 Ca -0.12 -0.70 0.08 0.00 1.00 0.00 0.00 64.86 65.11 1fjh h ILE 226 Cb 1.69 0.62 -0.07 0.00 -0.74 0.00 0.00 36.82 38.32 1fjh h ILE 226 CO 0.20 0.27 0.43 0.00 0.00 0.00 0.00 178.15 179.05 1fjh h ALA 227 N 1.08 1.06 -0.08 1.87 0.00 -0.93 -0.00 119.26 122.26 1fjh h ALA 227 Ca 0.19 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1fjh h ALA 227 Cb 0.20 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1fjh h ALA 227 CO -0.02 0.09 0.04 0.35 0.00 0.00 0.00 179.25 179.72 1fjh h PHE 228 N 0.76 0.11 0.00 0.00 3.04 -1.00 -2.62 116.94 117.23 1fjh h PHE 228 Ca 0.36 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.29 1fjh h PHE 228 Cb 0.28 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 38.75 1fjh h PHE 228 CO -0.07 0.17 -0.05 -0.07 -2.02 0.00 0.00 178.31 176.27 1fjh h LEU 229 N 0.02 0.00 -0.85 0.59 3.38 -0.25 -1.71 115.31 116.49 1fjh h LEU 229 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1fjh h LEU 229 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1fjh h LEU 229 CO -0.00 0.05 -0.11 0.23 0.09 0.00 0.00 178.44 178.70 1fjh n MET 230 N -3.43 1.39 -3.87 1.13 2.81 -0.10 -4.80 117.12 110.24 1fjh n MET 230 Ca -0.02 -0.85 -0.22 0.00 -1.81 0.00 0.00 57.70 54.81 1fjh n MET 230 Cb 0.18 -1.48 -0.04 0.00 -0.71 0.00 0.00 33.22 31.16 1fjh n MET 230 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1fjh s SER 231 N -2.20 5.03 0.50 7.83 1.04 -0.64 -4.86 113.70 120.40 1fjh s SER 231 Ca 0.32 -0.64 0.31 0.00 0.48 0.00 0.00 55.95 56.42 1fjh s SER 231 Cb 0.20 -0.81 1.71 0.00 0.10 0.00 0.00 66.02 67.22 1fjh s SER 231 CO 0.41 -0.39 1.95 -0.65 0.98 0.00 0.00 173.24 175.54 1fjh h PRO 232 N 1.31 0.00 0.00 4.02 0.11 -1.92 -0.80 132.00 134.72 1fjh h PRO 232 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1fjh h PRO 232 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1fjh h PRO 232 CO 0.60 0.00 -0.05 0.00 -0.21 0.00 0.00 178.00 178.34 1fjh h ALA 233 N 1.86 1.11 -0.50 -0.75 0.00 -1.95 -1.38 119.26 117.64 1fjh h ALA 233 Ca 0.00 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 1fjh h ALA 233 Cb 0.12 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.80 1fjh h ALA 233 CO 0.00 0.06 0.12 0.00 0.00 0.00 0.00 179.25 179.43 1fjh n ALA 234 N -2.16 4.17 0.19 0.00 0.00 -0.31 -4.77 120.51 117.64 1fjh n ALA 234 Ca -0.01 -2.69 0.18 0.00 0.00 0.00 0.00 53.44 50.92 1fjh n ALA 234 Cb 0.21 -0.94 0.79 0.00 0.00 0.00 0.00 19.45 19.51 1fjh n ALA 234 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1fjh h SER 235 N 1.64 0.00 -0.22 0.00 4.64 -1.36 -0.42 113.55 117.83 1fjh h SER 235 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1fjh h SER 235 Cb 1.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.01 1fjh h SER 235 CO 0.52 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.48 1fjh n TYR 236 N -3.43 0.32 -3.32 4.77 9.36 -1.26 -4.92 117.16 118.68 1fjh n TYR 236 Ca 0.03 -0.53 -0.42 0.00 3.32 0.00 0.00 57.90 60.31 1fjh n TYR 236 Cb 0.49 -0.05 -0.09 0.00 -0.63 0.00 0.00 39.34 39.06 1fjh n TYR 236 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1fjh s VAL 237 N -1.12 5.08 -0.12 2.97 1.01 -0.17 -5.03 120.40 123.02 1fjh s VAL 237 Ca 0.16 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 62.11 1fjh s VAL 237 Cb 0.09 -3.93 0.04 0.00 0.00 0.00 0.00 36.38 32.58 1fjh s VAL 237 CO 0.10 -0.23 0.32 -2.28 0.00 0.00 0.00 175.10 173.01 1fjh s HIS 238 N 2.20 -0.38 0.00 5.22 5.04 -1.26 -4.73 115.29 121.38 1fjh s HIS 238 Ca 0.15 0.91 0.00 0.00 -1.54 0.00 0.00 55.06 54.57 1fjh s HIS 238 Cb -0.16 0.13 0.00 0.00 0.04 0.00 0.00 32.58 32.59 1fjh s HIS 238 CO 0.13 -0.21 0.00 0.41 -2.34 0.00 0.00 174.74 172.73 1fjh n GLY 239 N 3.35 0.36 3.92 1.59 0.00 0.49 -4.98 105.19 109.90 1fjh n GLY 239 Ca -0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 1fjh n GLY 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fjh s ALA 240 N -1.83 3.54 -0.23 4.61 0.00 -1.26 -4.78 121.76 121.81 1fjh s ALA 240 Ca 0.00 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.34 1fjh s ALA 240 Cb 0.00 -2.38 0.03 0.00 0.00 0.00 0.00 23.12 20.77 1fjh s ALA 240 CO 0.00 -0.12 -0.13 -1.14 0.00 0.00 0.00 175.76 174.38 1fjh s GLN 241 N -4.34 2.70 -0.36 0.00 0.74 -1.26 -1.06 119.66 116.09 1fjh s GLN 241 Ca 0.44 -1.04 -0.15 0.00 0.05 0.00 0.00 55.36 54.67 1fjh s GLN 241 Cb -0.10 -2.80 -0.01 0.00 1.10 0.00 0.00 33.01 31.20 1fjh s GLN 241 CO 0.38 -0.38 0.34 0.42 -0.55 0.00 0.00 175.29 175.50 1fjh s ILE 242 N 1.24 5.19 -0.07 -2.34 1.09 -0.39 -4.91 121.20 121.01 1fjh s ILE 242 Ca -0.01 -0.14 -0.29 0.00 -1.10 0.00 0.00 60.65 59.11 1fjh s ILE 242 Cb -0.16 -3.84 -0.02 0.00 -1.06 0.00 0.00 42.46 37.38 1fjh s ILE 242 CO -0.08 -0.14 0.98 -0.69 -0.10 0.00 0.00 174.94 174.91 1fjh s VAL 243 N 1.93 4.83 -0.52 2.92 1.01 -1.26 0.03 120.40 129.33 1fjh s VAL 243 Ca 0.10 2.01 0.03 0.00 0.00 0.00 0.00 61.98 64.12 1fjh s VAL 243 Cb -0.17 -4.30 0.14 0.00 0.00 0.00 0.00 36.38 32.05 1fjh s VAL 243 CO 0.11 0.06 0.30 -0.63 0.00 0.00 0.00 175.10 174.95 1fjh s ILE 244 N 1.66 2.08 0.00 2.22 1.01 -0.66 -4.90 121.20 122.62 1fjh s ILE 244 Ca 0.49 -3.19 0.00 0.00 0.00 0.00 0.00 60.65 57.94 1fjh s ILE 244 Cb -0.19 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 39.85 1fjh s ILE 244 CO 0.21 -0.90 0.84 -0.90 0.00 0.00 0.00 174.94 174.19 1fjh n ASP 245 N 3.02 0.00 -0.07 3.58 5.75 -1.26 -2.03 116.55 125.55 1fjh n ASP 245 Ca 0.11 -1.71 -0.01 0.00 -0.01 0.00 0.00 54.79 53.17 1fjh n ASP 245 Cb 0.34 -0.14 -0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1fjh n ASP 245 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fjh n GLY 246 N 0.00 0.29 0.00 6.12 0.00 -1.26 -3.17 105.19 107.16 1fjh n GLY 246 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1fjh n GLY 246 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fjh n GLY 247 N -0.70 0.46 0.23 -0.02 0.00 -1.26 -3.88 105.19 100.02 1fjh n GLY 247 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 1fjh n GLY 247 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1fjh h ILE 248 N 0.00 0.94 -0.74 -0.61 1.08 -1.99 -2.49 117.51 113.70 1fjh h ILE 248 Ca 0.00 -0.20 -0.01 0.00 -0.39 0.00 0.00 64.86 64.26 1fjh h ILE 248 Cb 0.00 0.32 -0.04 0.00 -3.07 0.00 0.00 36.82 34.03 1fjh h ILE 248 CO 0.00 0.10 0.42 -0.78 -0.69 0.00 0.00 178.15 177.20 1fjh h ASP 249 N 0.57 0.91 -0.57 1.72 3.58 -1.95 -1.75 116.42 118.92 1fjh h ASP 249 Ca 0.27 -0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.60 1fjh h ASP 249 Cb 0.18 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 1fjh h ASP 249 CO -0.18 0.72 0.16 0.00 -2.88 0.00 0.00 179.24 177.06 1fjh h ALA 250 N 1.43 0.75 -0.64 -0.78 0.00 -1.74 0.34 119.26 118.62 1fjh h ALA 250 Ca 0.26 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1fjh h ALA 250 Cb 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1fjh h ALA 250 CO -0.04 0.43 0.13 0.28 0.00 0.00 0.00 179.25 180.04 1fjh h VAL 251 N 0.81 1.26 0.08 0.00 2.07 -1.12 -2.33 116.25 117.02 1fjh h VAL 251 Ca 0.18 -0.98 -0.27 0.00 0.82 0.00 0.00 66.70 66.46 1fjh h VAL 251 Cb 0.31 0.67 0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1fjh h VAL 251 CO -0.00 0.37 -1.14 0.24 0.02 0.00 0.00 177.57 177.05 1fjh h MET 252 N 0.96 0.43 -2.14 1.57 2.07 -1.11 -3.39 114.93 113.31 1fjh h MET 252 Ca 0.20 -0.57 -0.57 0.00 -2.07 0.00 0.00 59.70 56.69 1fjh h MET 252 Cb 0.40 0.19 -0.41 0.00 -1.87 0.00 0.00 31.60 29.91 1fjh h MET 252 CO 0.01 1.23 -0.83 0.54 1.07 0.00 0.00 176.91 178.93 1fjh n ARG 253 N -3.69 2.04 -0.01 1.72 1.74 0.12 -4.94 116.66 113.63 1fjh n ARG 253 Ca -0.10 -4.17 0.05 0.00 -0.77 0.00 0.00 57.85 52.87 1fjh n ARG 253 Cb 0.95 -1.92 0.44 0.00 -1.02 0.00 0.00 32.46 30.91 1fjh n ARG 253 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1fjh h PRO 254 N 3.60 0.51 -0.02 5.56 0.13 -1.62 -2.75 132.00 137.41 1fjh h PRO 254 Ca 0.13 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1fjh h PRO 254 Cb 0.72 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1fjh h PRO 254 CO 0.69 0.34 -0.08 0.25 -0.23 0.00 0.00 178.00 178.97 1fjh n THR 255 N -4.48 0.00 -4.90 1.56 -2.24 -1.26 -4.88 114.28 98.09 1fjh n THR 255 Ca 0.04 -0.36 -0.33 0.00 -2.27 0.00 0.00 64.05 61.13 1fjh n THR 255 Cb 0.11 1.07 -0.15 0.00 -2.10 0.00 0.00 70.33 69.26 1fjh n THR 255 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1fjh s GLN 256 N -2.10 3.29 0.00 -0.78 -0.21 -1.04 -5.29 119.66 113.53 1fjh s GLN 256 Ca 0.30 -0.74 0.00 0.00 0.02 0.00 0.00 55.36 54.94 1fjh s GLN 256 Cb 0.20 -2.54 0.00 0.00 1.00 0.00 0.00 33.01 31.67 1fjh s GLN 256 CO 0.36 0.20 0.00 1.97 -2.12 0.00 0.00 175.29 175.70