#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dbf s MET 2 N 0.00 1.02 -0.10 2.12 -2.45 -1.02 -4.98 119.30 113.88 1dbf s MET 2 Ca 0.00 -0.58 -0.02 0.00 -1.25 0.00 0.00 55.69 53.84 1dbf s MET 2 Cb 0.00 0.33 -0.03 0.00 1.25 0.00 0.00 34.83 36.38 1dbf s MET 2 CO 0.00 -0.47 -0.02 0.42 1.05 0.00 0.00 175.02 176.00 1dbf s ILE 3 N -2.88 4.09 0.01 10.11 -1.09 -1.26 -0.71 121.20 129.48 1dbf s ILE 3 Ca 0.15 -0.32 -0.01 0.00 -2.23 0.00 0.00 60.65 58.24 1dbf s ILE 3 Cb -0.00 -2.73 -0.01 0.00 -1.58 0.00 0.00 42.46 38.13 1dbf s ILE 3 CO 0.01 0.57 0.00 -0.13 -1.23 0.00 0.00 174.94 174.16 1dbf s ARG 4 N -0.49 0.20 0.26 2.79 1.81 0.66 -4.94 118.95 119.23 1dbf s ARG 4 Ca 0.08 -0.33 -0.26 0.00 -1.72 0.00 0.00 55.73 53.50 1dbf s ARG 4 Cb -0.12 0.07 -0.09 0.00 -0.45 0.00 0.00 34.95 34.36 1dbf s ARG 4 CO 0.02 -0.03 0.88 0.20 -0.68 0.00 0.00 175.30 175.69 1dbf s GLY 5 N -0.84 2.89 -0.12 -3.53 0.00 -1.26 -0.51 107.32 103.94 1dbf s GLY 5 Ca -0.09 0.48 0.02 0.00 0.00 0.00 0.00 44.72 45.13 1dbf s GLY 5 CO -0.00 0.96 -0.20 -0.42 0.00 0.00 0.00 173.10 173.44 1dbf s ILE 6 N -1.39 2.40 -0.01 0.90 1.01 0.12 -4.95 121.20 119.27 1dbf s ILE 6 Ca 0.44 -0.89 -0.02 0.00 0.00 0.00 0.00 60.65 60.18 1dbf s ILE 6 Cb -0.21 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 1dbf s ILE 6 CO 0.26 0.54 0.16 -0.13 0.00 0.00 0.00 174.94 175.77 1dbf s ARG 7 N 0.52 3.35 0.08 2.79 1.81 -1.26 -0.50 118.95 125.74 1dbf s ARG 7 Ca -0.12 -0.36 -0.06 0.00 -1.72 0.00 0.00 55.73 53.47 1dbf s ARG 7 Cb -0.17 -3.04 -0.02 0.00 -0.45 0.00 0.00 34.95 31.28 1dbf s ARG 7 CO 0.05 0.67 0.12 0.20 -0.68 0.00 0.00 175.30 175.66 1dbf s GLY 8 N -1.89 0.27 0.02 -3.53 0.00 -0.83 -1.33 107.32 100.03 1dbf s GLY 8 Ca 0.26 -0.86 -0.19 0.00 0.00 0.00 0.00 44.72 43.94 1dbf s GLY 8 CO 0.17 -0.99 0.42 0.00 0.00 0.00 0.00 173.10 172.70 1dbf s ALA 9 N -3.89 -1.04 0.33 3.20 0.00 -0.12 -0.89 121.76 119.35 1dbf s ALA 9 Ca 0.07 0.42 -0.07 0.00 0.00 0.00 0.00 51.96 52.38 1dbf s ALA 9 Cb 0.06 0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.44 1dbf s ALA 9 CO -0.09 -0.40 0.53 -0.08 0.00 0.00 0.00 175.76 175.72 1dbf s THR 10 N -2.08 0.00 0.15 0.00 -1.32 0.08 -0.88 115.64 111.59 1dbf s THR 10 Ca -0.08 -1.45 0.01 0.00 -1.21 0.00 0.00 61.69 58.97 1dbf s THR 10 Cb -0.02 -2.60 -0.04 0.00 -1.51 0.00 0.00 72.50 68.33 1dbf s THR 10 CO 0.00 0.00 -0.01 0.42 -2.21 0.00 0.00 174.62 172.83 1dbf s THR 11 N -3.12 0.62 0.25 5.08 -4.23 -1.26 -0.78 115.64 112.21 1dbf s THR 11 Ca 0.26 -1.96 0.10 0.00 -1.18 0.00 0.00 61.69 58.91 1dbf s THR 11 Cb -0.01 -2.02 -0.05 0.00 1.34 0.00 0.00 72.50 71.76 1dbf s THR 11 CO 0.16 -0.56 -0.17 0.68 -0.54 0.00 0.00 174.62 174.20 1dbf s VAL 12 N -3.69 2.14 -0.15 2.29 -7.23 -0.79 -4.77 120.40 108.19 1dbf s VAL 12 Ca 0.21 -2.31 0.17 0.00 -1.81 0.00 0.00 61.98 58.24 1dbf s VAL 12 Cb 0.06 -2.22 -0.05 0.00 0.56 0.00 0.00 36.38 34.73 1dbf s VAL 12 CO 0.02 -0.46 1.08 -0.33 -0.31 0.00 0.00 175.10 175.10 1dbf h GLU 13 N 2.37 0.00 -3.74 4.82 4.39 -1.95 -3.45 114.58 117.02 1dbf h GLU 13 Ca -0.39 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.14 1dbf h GLU 13 Cb 1.24 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 29.68 1dbf h GLU 13 CO 0.62 0.35 -0.61 1.03 -1.16 0.00 0.00 179.01 179.23 1dbf s ARG 14 N -2.97 0.35 -1.33 2.33 0.52 -1.26 -5.07 118.95 111.52 1dbf s ARG 14 Ca -0.00 -0.43 -0.16 0.00 -0.52 0.00 0.00 55.73 54.62 1dbf s ARG 14 Cb 0.08 0.14 0.08 0.00 0.52 0.00 0.00 34.95 35.77 1dbf s ARG 14 CO 0.78 -0.07 1.84 -3.47 0.02 0.00 0.00 175.30 174.40 1dbf n ASP 15 N 1.73 4.71 -4.20 0.23 2.03 -1.26 -4.70 116.55 115.09 1dbf n ASP 15 Ca -0.22 -2.92 -0.21 0.00 0.52 0.00 0.00 54.79 51.96 1dbf n ASP 15 Cb 0.56 -1.69 -0.13 0.00 -0.72 0.00 0.00 41.12 39.15 1dbf n ASP 15 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1dbf s THR 16 N 3.36 1.33 0.14 5.18 -1.32 -1.26 -4.65 115.64 118.42 1dbf s THR 16 Ca 0.50 -1.29 -0.17 0.00 -1.21 0.00 0.00 61.69 59.52 1dbf s THR 16 Cb 0.06 -1.23 -0.01 0.00 -1.51 0.00 0.00 72.50 69.82 1dbf s THR 16 CO 0.02 -0.09 1.74 -0.08 -2.21 0.00 0.00 174.62 174.00 1dbf h GLU 17 N 4.43 0.52 -0.91 7.08 4.81 -1.91 -1.78 114.58 126.81 1dbf h GLU 17 Ca -0.42 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 1dbf h GLU 17 Cb 1.18 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 1dbf h GLU 17 CO 0.41 0.43 0.53 1.05 -0.73 0.00 0.00 179.01 180.70 1dbf h GLU 18 N 0.47 1.26 -0.30 1.92 -0.00 -1.97 0.27 114.58 116.23 1dbf h GLU 18 Ca 0.13 -0.13 -0.15 0.00 -0.00 0.00 0.00 59.36 59.22 1dbf h GLU 18 Cb 0.06 -0.26 -0.00 0.00 -0.00 0.00 0.00 28.75 28.55 1dbf h GLU 18 CO -0.02 0.90 -0.38 0.93 -0.00 0.00 0.00 179.01 180.44 1dbf h GLU 19 N 1.27 0.79 -0.38 1.06 5.08 -1.82 -0.96 114.58 119.62 1dbf h GLU 19 Ca 0.33 -0.45 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1dbf h GLU 19 Cb -0.02 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1dbf h GLU 19 CO -0.06 1.08 0.06 0.82 -1.00 0.00 0.00 179.01 179.91 1dbf h ILE 20 N 0.55 1.24 -0.57 3.13 2.04 -0.97 0.50 117.51 123.43 1dbf h ILE 20 Ca 0.04 -0.85 -0.10 0.00 1.00 0.00 0.00 64.86 64.94 1dbf h ILE 20 Cb 0.97 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1dbf h ILE 20 CO 0.09 0.29 -0.04 -0.07 0.00 0.00 0.00 178.15 178.42 1dbf h LEU 21 N 0.48 1.01 -0.10 1.44 3.38 -0.98 -0.01 115.31 120.54 1dbf h LEU 21 Ca 0.12 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1dbf h LEU 21 Cb 0.36 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1dbf h LEU 21 CO 0.01 1.09 0.03 -0.61 0.09 0.00 0.00 178.44 179.04 1dbf h GLN 22 N 0.93 0.15 -0.06 1.13 4.15 -1.04 0.18 115.11 120.55 1dbf h GLN 22 Ca 0.16 -0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.42 1dbf h GLN 22 Cb 0.59 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 1dbf h GLN 22 CO 0.04 0.31 -0.52 0.87 -1.93 0.00 0.00 178.83 177.60 1dbf h LYS 23 N -0.03 0.17 -0.25 1.69 1.79 -0.91 -0.96 116.57 118.07 1dbf h LYS 23 Ca 0.03 -0.10 -0.11 0.00 -2.18 0.00 0.00 60.65 58.29 1dbf h LYS 23 Cb 0.22 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1dbf h LYS 23 CO -0.00 0.65 -0.28 1.15 -1.08 0.00 0.00 179.45 179.89 1dbf h THR 24 N 0.13 1.31 -0.86 -0.16 2.02 -0.76 -0.54 112.91 114.05 1dbf h THR 24 Ca 0.00 -1.45 0.05 0.00 0.77 0.00 0.00 66.41 65.78 1dbf h THR 24 Cb 0.96 1.68 -0.06 0.00 -1.74 0.00 0.00 68.15 68.99 1dbf h THR 24 CO 0.08 0.46 0.54 0.50 0.37 0.00 0.00 175.52 177.47 1dbf h LYS 25 N 0.34 0.98 -0.40 6.66 3.64 -0.52 -1.08 116.57 126.19 1dbf h LYS 25 Ca 0.04 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 1dbf h LYS 25 Cb 0.84 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1dbf h LYS 25 CO 0.07 0.65 -0.12 1.96 -2.27 0.00 0.00 179.45 179.73 1dbf h GLN 26 N 1.00 0.71 -0.30 1.90 4.20 -1.01 0.80 115.11 122.42 1dbf h GLN 26 Ca 0.37 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 1dbf h GLN 26 Cb 0.13 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1dbf h GLN 26 CO -0.16 0.81 0.01 1.25 -0.67 0.00 0.00 178.83 180.07 1dbf h LEU 27 N 0.64 0.51 -0.64 1.46 5.85 -0.58 -0.76 115.31 121.79 1dbf h LEU 27 Ca 0.11 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.54 1dbf h LEU 27 Cb 0.58 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1dbf h LEU 27 CO 0.04 0.68 0.42 0.25 -0.34 0.00 0.00 178.44 179.49 1dbf h LEU 28 N 0.32 0.70 -0.54 2.25 5.85 -0.72 -1.11 115.31 122.07 1dbf h LEU 28 Ca 0.09 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1dbf h LEU 28 Cb 0.42 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1dbf h LEU 28 CO 0.01 0.50 0.35 -0.33 -0.34 0.00 0.00 178.44 178.64 1dbf h GLU 29 N 0.84 0.70 -0.49 1.25 5.08 -0.74 0.12 114.58 121.34 1dbf h GLU 29 Ca 0.24 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 1dbf h GLU 29 Cb -0.05 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1dbf h GLU 29 CO -0.07 0.46 0.14 -0.22 -1.00 0.00 0.00 179.01 178.32 1dbf h LYS 30 N 0.72 0.76 -0.61 2.33 1.63 -0.85 0.16 116.57 120.71 1dbf h LYS 30 Ca 0.20 -0.17 0.08 0.00 -0.85 0.00 0.00 60.65 59.91 1dbf h LYS 30 Cb -0.07 -0.11 -0.07 0.00 -0.60 0.00 0.00 32.23 31.38 1dbf h LYS 30 CO -0.05 0.73 0.26 0.82 -3.45 0.00 0.00 179.45 177.76 1dbf h ILE 31 N 0.66 0.83 -0.50 2.00 2.04 -0.69 -0.01 117.51 121.84 1dbf h ILE 31 Ca 0.16 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 1dbf h ILE 31 Cb 0.29 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1dbf h ILE 31 CO -0.00 0.09 0.02 0.40 0.00 0.00 0.00 178.15 178.65 1dbf h ILE 32 N 0.47 1.24 -0.57 -0.67 2.04 -0.26 0.18 117.51 119.94 1dbf h ILE 32 Ca 0.30 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 1dbf h ILE 32 Cb 0.32 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1dbf h ILE 32 CO -0.27 0.35 0.24 -0.33 0.00 0.00 0.00 178.15 178.15 1dbf h GLU 33 N 0.77 0.85 0.00 2.37 5.08 -0.07 0.67 114.58 124.24 1dbf h GLU 33 Ca 0.15 -0.14 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 1dbf h GLU 33 Cb 0.44 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1dbf h GLU 33 CO 0.02 0.72 -1.39 0.93 -1.00 0.00 0.00 179.01 178.28 1dbf h GLU 34 N 0.78 0.00 -0.00 2.33 4.39 -0.82 -3.37 114.58 117.90 1dbf h GLU 34 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1dbf h GLU 34 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1dbf h GLU 34 CO -0.02 0.64 -0.56 0.09 -1.16 0.00 0.00 179.01 178.00 1dbf n ASN 35 N -3.14 0.99 -1.72 1.42 3.02 0.03 -4.82 115.26 111.04 1dbf n ASN 35 Ca -0.10 -0.99 -0.16 0.00 -0.03 0.00 0.00 54.58 53.30 1dbf n ASN 35 Cb 0.98 0.82 -0.02 0.00 -0.61 0.00 0.00 39.78 40.95 1dbf n ASN 35 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1dbf n HIS 36 N -0.94 -0.58 -2.07 3.10 8.25 0.22 -4.93 115.22 118.28 1dbf n HIS 36 Ca 0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.08 1dbf n HIS 36 Cb 0.26 -3.22 -0.03 0.00 1.12 0.00 0.00 29.99 28.13 1dbf n HIS 36 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1dbf s THR 37 N -2.77 3.36 -0.03 1.59 2.01 -1.25 -5.01 115.64 113.55 1dbf s THR 37 Ca 0.00 0.79 -0.15 0.00 0.31 0.00 0.00 61.69 62.64 1dbf s THR 37 Cb 0.00 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 1dbf s THR 37 CO 0.00 -0.00 0.40 -0.54 -0.69 0.00 0.00 174.62 173.79 1dbf s LYS 38 N 2.48 4.00 0.41 4.92 1.02 -1.26 -4.88 119.74 126.43 1dbf s LYS 38 Ca 0.69 0.38 0.10 0.00 0.02 0.00 0.00 55.97 57.16 1dbf s LYS 38 Cb -0.36 -3.27 0.91 0.00 -0.52 0.00 0.00 37.83 34.60 1dbf s LYS 38 CO 0.29 0.57 1.99 -1.00 -0.92 0.00 0.00 175.35 176.28 1dbf h PRO 39 N 5.18 0.52 0.00 -1.68 0.13 -1.95 -1.18 132.00 133.03 1dbf h PRO 39 Ca -0.49 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1dbf h PRO 39 Cb 1.21 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1dbf h PRO 39 CO 0.65 0.35 0.00 -0.85 -0.23 0.00 0.00 178.00 177.91 1dbf n GLU 40 N -4.48 0.14 0.00 0.86 0.00 -1.26 -1.37 120.64 114.54 1dbf n GLU 40 Ca 0.09 0.32 0.13 0.00 0.00 0.00 0.00 57.16 57.70 1dbf n GLU 40 Cb 0.28 -1.74 0.38 0.00 0.00 0.00 0.00 31.44 30.35 1dbf n GLU 40 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1dbf n ASP 41 N -2.01 1.79 -4.64 -1.84 8.00 -0.45 -4.83 116.55 112.57 1dbf n ASP 41 Ca 0.03 -1.52 -0.42 0.00 0.71 0.00 0.00 54.79 53.59 1dbf n ASP 41 Cb 0.25 0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.36 1dbf n ASP 41 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1dbf s VAL 42 N -2.10 4.82 0.03 2.53 1.01 -0.47 -0.67 120.40 125.55 1dbf s VAL 42 Ca 0.33 1.55 -0.25 0.00 0.00 0.00 0.00 61.98 63.61 1dbf s VAL 42 Cb 0.20 -4.13 -0.18 0.00 0.00 0.00 0.00 36.38 32.28 1dbf s VAL 42 CO 0.37 -0.10 1.49 0.58 0.00 0.00 0.00 175.10 177.44 1dbf h VAL 43 N 5.45 1.11 -1.74 2.92 2.07 -0.45 -3.45 116.25 122.16 1dbf h VAL 43 Ca -0.23 -0.54 0.27 0.00 0.82 0.00 0.00 66.70 67.03 1dbf h VAL 43 Cb 1.09 1.46 -0.11 0.00 -1.52 0.00 0.00 31.29 32.21 1dbf h VAL 43 CO 0.88 0.14 0.71 0.00 0.02 0.00 0.00 177.57 179.32 1dbf s GLN 44 N -5.22 0.65 0.03 1.57 -2.07 -1.14 -4.57 119.66 108.91 1dbf s GLN 44 Ca -0.14 -0.35 0.01 0.00 -1.82 0.00 0.00 55.36 53.05 1dbf s GLN 44 Cb 0.04 0.23 -0.02 0.00 -1.09 0.00 0.00 33.01 32.16 1dbf s GLN 44 CO 0.65 -0.30 -0.05 1.41 -1.32 0.00 0.00 175.29 175.68 1dbf s MET 45 N -2.71 0.39 -0.03 9.60 1.75 0.15 -0.67 119.30 127.77 1dbf s MET 45 Ca 0.13 -0.58 0.05 0.00 -1.25 0.00 0.00 55.69 54.05 1dbf s MET 45 Cb 0.03 -0.12 -0.01 0.00 2.84 0.00 0.00 34.83 37.56 1dbf s MET 45 CO -0.02 0.01 -0.19 -0.51 -0.65 0.00 0.00 175.02 173.67 1dbf s LEU 46 N -1.25 1.98 -0.05 4.11 1.43 -0.28 -2.33 118.68 122.29 1dbf s LEU 46 Ca -0.10 -0.36 0.05 0.00 -1.03 0.00 0.00 54.13 52.69 1dbf s LEU 46 Cb -0.08 -1.00 -0.00 0.00 0.03 0.00 0.00 46.19 45.13 1dbf s LEU 46 CO -0.00 0.20 -0.20 -0.76 0.23 0.00 0.00 176.35 175.82 1dbf s LEU 47 N -0.20 1.96 0.16 1.79 1.43 -0.71 -0.97 118.68 122.13 1dbf s LEU 47 Ca 0.01 -0.41 0.09 0.00 -1.03 0.00 0.00 54.13 52.79 1dbf s LEU 47 Cb -0.10 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 1dbf s LEU 47 CO 0.01 0.17 -0.13 -0.94 0.23 0.00 0.00 176.35 175.69 1dbf s SER 48 N 0.04 4.10 0.00 2.29 1.04 0.44 -1.10 113.70 120.51 1dbf s SER 48 Ca -0.05 -0.59 0.02 0.00 0.48 0.00 0.00 55.95 55.81 1dbf s SER 48 Cb -0.13 -0.64 -0.01 0.00 0.10 0.00 0.00 66.02 65.34 1dbf s SER 48 CO 0.03 0.13 -0.08 0.00 0.98 0.00 0.00 173.24 174.30 1dbf s ALA 49 N -1.54 0.66 0.80 5.32 0.00 -0.80 -1.17 121.76 125.03 1dbf s ALA 49 Ca 0.23 -0.41 -0.12 0.00 0.00 0.00 0.00 51.96 51.66 1dbf s ALA 49 Cb -0.09 -0.14 0.08 0.00 0.00 0.00 0.00 23.12 22.97 1dbf s ALA 49 CO 0.13 0.14 1.15 0.95 0.00 0.00 0.00 175.76 178.13 1dbf s THR 50 N -0.35 2.52 -2.00 0.00 -4.23 -0.82 -0.77 115.64 109.99 1dbf s THR 50 Ca 0.01 0.20 0.13 0.00 -1.18 0.00 0.00 61.69 60.86 1dbf s THR 50 Cb -0.04 -2.54 0.37 0.00 1.34 0.00 0.00 72.50 71.62 1dbf s THR 50 CO -0.00 -0.19 1.25 -0.81 -0.54 0.00 0.00 174.62 174.33 1dbf n PRO 51 N -3.44 0.65 -0.05 3.99 -0.04 -1.26 -1.70 135.00 133.15 1dbf n PRO 51 Ca 0.12 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.69 1dbf n PRO 51 Cb 0.52 -1.31 0.45 0.00 -0.04 0.00 0.00 33.50 33.12 1dbf n PRO 51 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1dbf n ASP 52 N -0.81 1.40 -4.29 3.54 5.68 -1.26 -4.83 116.55 115.97 1dbf n ASP 52 Ca 0.10 -1.60 -0.33 0.00 -0.50 0.00 0.00 54.79 52.45 1dbf n ASP 52 Cb 0.04 -0.07 -0.15 0.00 -1.14 0.00 0.00 41.12 39.81 1dbf n ASP 52 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1dbf s LEU 53 N -1.69 2.56 0.00 -2.12 1.43 -0.69 -4.83 118.68 113.35 1dbf s LEU 53 Ca 0.34 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1dbf s LEU 53 Cb 0.18 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.81 1dbf s LEU 53 CO 0.28 0.09 0.03 1.41 0.23 0.00 0.00 176.35 178.40 1dbf n HIS 54 N 4.00 0.00 0.06 0.29 8.25 -1.26 -4.87 115.22 121.68 1dbf n HIS 54 Ca -0.19 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.21 1dbf n HIS 54 Cb 0.52 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.73 1dbf n HIS 54 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1dbf h ALA 55 N 0.00 0.81 -2.63 -1.41 0.00 -1.91 -3.46 119.26 110.67 1dbf h ALA 55 Ca 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 1dbf h ALA 55 Cb 0.17 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 17.73 1dbf h ALA 55 CO 0.00 0.70 0.08 0.54 0.00 0.00 0.00 179.25 180.57 1dbf s VAL 56 N -3.86 0.03 -0.07 0.00 0.11 -1.26 -4.72 120.40 110.61 1dbf s VAL 56 Ca -0.05 -0.21 -0.30 0.00 -2.93 0.00 0.00 61.98 58.49 1dbf s VAL 56 Cb 0.12 -1.01 -0.04 0.00 -1.53 0.00 0.00 36.38 33.92 1dbf s VAL 56 CO 0.81 -0.12 1.38 -0.36 -3.33 0.00 0.00 175.10 173.48 1dbf s PHE 57 N -2.87 2.72 0.58 1.54 0.08 -1.26 -4.92 117.98 113.86 1dbf s PHE 57 Ca -0.03 0.81 0.30 0.00 0.12 0.00 0.00 56.93 58.13 1dbf s PHE 57 Cb -0.00 -3.63 1.82 0.00 -0.57 0.00 0.00 43.02 40.64 1dbf s PHE 57 CO -0.05 -2.32 2.25 -1.35 -0.10 0.00 0.00 175.22 173.65 1dbf h PRO 58 N 8.24 0.00 -0.20 0.24 0.11 -1.95 -1.12 132.00 137.32 1dbf h PRO 58 Ca -0.34 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.83 1dbf h PRO 58 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1dbf h PRO 58 CO 0.93 0.01 0.26 0.00 -0.21 0.00 0.00 178.00 179.00 1dbf h ALA 59 N 1.99 1.77 -0.89 -0.75 0.00 -1.93 -0.70 119.26 118.75 1dbf h ALA 59 Ca -0.00 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.06 1dbf h ALA 59 Cb 0.03 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1dbf h ALA 59 CO 0.00 -0.37 0.58 -0.22 0.00 0.00 0.00 179.25 179.24 1dbf h LYS 60 N 0.00 0.64 -0.01 0.00 3.64 -1.60 -0.96 116.57 118.27 1dbf h LYS 60 Ca 0.10 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.32 1dbf h LYS 60 Cb 0.62 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 1dbf h LYS 60 CO -0.00 0.42 -0.53 0.00 -2.27 0.00 0.00 179.45 177.07 1dbf h ALA 61 N 1.60 1.09 -0.21 5.00 0.00 -1.33 -1.20 119.26 124.22 1dbf h ALA 61 Ca 0.45 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1dbf h ALA 61 Cb 0.78 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1dbf h ALA 61 CO -0.21 0.67 -0.12 0.28 0.00 0.00 0.00 179.25 179.87 1dbf h VAL 62 N 0.03 1.31 0.00 0.00 2.07 -1.36 -2.70 116.25 115.59 1dbf h VAL 62 Ca -0.00 -1.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.27 1dbf h VAL 62 Cb 0.96 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1dbf h VAL 62 CO 0.07 0.37 -0.19 0.03 0.02 0.00 0.00 177.57 177.87 1dbf h ARG 63 N 0.16 0.00 -0.01 1.57 3.08 -0.74 -1.23 114.38 117.21 1dbf h ARG 63 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1dbf h ARG 63 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1dbf h ARG 63 CO 0.03 0.19 -0.31 0.39 -1.07 0.00 0.00 179.97 179.20 1dbf n GLU 64 N -4.07 0.90 -2.43 0.04 1.02 -0.50 -4.39 120.64 111.22 1dbf n GLU 64 Ca -0.02 -0.59 -0.42 0.00 -0.02 0.00 0.00 57.16 56.10 1dbf n GLU 64 Cb 0.27 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.17 1dbf n GLU 64 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1dbf s LEU 65 N -2.50 4.32 0.04 -4.62 2.96 -0.47 -4.91 118.68 113.50 1dbf s LEU 65 Ca 0.23 1.93 -0.35 0.00 -0.22 0.00 0.00 54.13 55.71 1dbf s LEU 65 Cb 0.19 -3.57 -0.14 0.00 0.50 0.00 0.00 46.19 43.17 1dbf s LEU 65 CO 0.54 -0.54 1.60 -0.24 -1.32 0.00 0.00 176.35 176.39 1dbf n SER 66 N 4.64 2.74 0.00 3.68 2.88 -1.26 -0.74 113.62 125.56 1dbf n SER 66 Ca 0.10 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 1dbf n SER 66 Cb 0.46 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 1dbf n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1dbf n GLY 67 N 3.49 2.27 1.30 0.46 0.00 -1.26 -4.90 105.19 106.55 1dbf n GLY 67 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 1dbf n GLY 67 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1dbf n TRP 68 N -2.00 0.90 0.43 1.61 7.02 0.08 -4.58 117.44 120.91 1dbf n TRP 68 Ca 0.00 -0.47 0.10 0.00 -1.02 0.00 0.00 57.50 56.11 1dbf n TRP 68 Cb 0.00 -0.00 0.43 0.00 -2.42 0.00 0.00 31.31 29.32 1dbf n TRP 68 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1dbf n GLN 69 N 1.58 0.13 -0.16 -0.99 0.00 -1.26 -1.18 117.38 115.50 1dbf n GLN 69 Ca 0.23 0.36 0.10 0.00 0.00 0.00 0.00 57.00 57.69 1dbf n GLN 69 Cb 0.61 -1.75 0.18 0.00 0.00 0.00 0.00 30.24 29.28 1dbf n GLN 69 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1dbf n TYR 70 N -1.99 0.43 -2.55 2.61 4.01 -1.26 -4.94 117.16 113.47 1dbf n TYR 70 Ca 0.03 -0.27 -0.43 0.00 -0.16 0.00 0.00 57.90 57.06 1dbf n TYR 70 Cb 0.21 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.21 1dbf n TYR 70 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1dbf s VAL 71 N -1.27 4.45 0.09 -0.72 1.01 -0.33 -4.97 120.40 118.67 1dbf s VAL 71 Ca 0.32 1.72 -0.31 0.00 0.00 0.00 0.00 61.98 63.71 1dbf s VAL 71 Cb 0.19 -4.22 -0.07 0.00 0.00 0.00 0.00 36.38 32.27 1dbf s VAL 71 CO 0.26 -0.28 1.29 -2.16 0.00 0.00 0.00 175.10 174.21 1dbf s PRO 72 N 3.52 4.38 -0.01 2.72 0.04 -1.26 -4.91 135.00 139.47 1dbf s PRO 72 Ca 0.49 1.92 -0.08 0.00 0.04 0.00 0.00 61.00 63.37 1dbf s PRO 72 Cb -0.17 -3.29 0.01 0.00 0.04 0.00 0.00 34.50 31.09 1dbf s PRO 72 CO 0.13 -0.34 0.17 0.54 0.04 0.00 0.00 177.00 177.54 1dbf s VAL 73 N 1.05 0.07 0.18 -0.36 0.11 -1.26 -0.67 120.40 119.51 1dbf s VAL 73 Ca 0.61 -0.54 -0.14 0.00 -2.93 0.00 0.00 61.98 58.98 1dbf s VAL 73 Cb -0.33 -0.43 0.02 0.00 -1.53 0.00 0.00 36.38 34.10 1dbf s VAL 73 CO 0.30 -0.30 0.43 0.28 -3.33 0.00 0.00 175.10 172.48 1dbf s THR 74 N -1.12 0.05 0.46 5.04 -1.32 -0.98 -4.99 115.64 112.78 1dbf s THR 74 Ca -0.12 -0.96 0.06 0.00 -1.21 0.00 0.00 61.69 59.46 1dbf s THR 74 Cb -0.06 -1.62 -0.02 0.00 -1.51 0.00 0.00 72.50 69.29 1dbf s THR 74 CO 0.02 -0.21 0.24 0.00 -2.21 0.00 0.00 174.62 172.46 1dbf s MET 76 N -4.03 1.25 -0.05 0.00 0.23 -0.26 -4.90 119.30 111.55 1dbf s MET 76 Ca 0.36 -0.60 -0.24 0.00 -1.03 0.00 0.00 55.69 54.17 1dbf s MET 76 Cb 0.01 0.55 -0.04 0.00 -1.53 0.00 0.00 34.83 33.82 1dbf s MET 76 CO 0.21 -0.53 0.74 -1.14 -2.03 0.00 0.00 175.02 172.27 1dbf s GLN 77 N -3.79 4.46 0.53 3.16 2.00 -1.26 -1.90 119.66 122.86 1dbf s GLN 77 Ca 0.03 0.97 -0.19 0.00 -2.00 0.00 0.00 55.36 54.17 1dbf s GLN 77 Cb -0.00 -3.44 -0.07 0.00 0.80 0.00 0.00 33.01 30.30 1dbf s GLN 77 CO -0.11 0.06 1.05 -2.00 -0.50 0.00 0.00 175.29 173.80 1dbf s GLU 78 N 0.77 3.60 0.75 1.67 2.56 0.05 -4.86 118.70 123.24 1dbf s GLU 78 Ca 0.40 1.34 -0.15 0.00 0.00 0.00 0.00 54.97 56.55 1dbf s GLU 78 Cb -0.18 -2.06 0.04 0.00 2.00 0.00 0.00 34.13 33.93 1dbf s GLU 78 CO 0.20 -0.60 1.17 -1.33 -0.56 0.00 0.00 175.26 174.13 1dbf n MET 79 N -1.35 0.47 -3.18 4.30 2.81 -1.26 -4.44 117.12 114.47 1dbf n MET 79 Ca 0.09 0.23 -0.45 0.00 -1.81 0.00 0.00 57.70 55.76 1dbf n MET 79 Cb 0.52 -2.41 -0.05 0.00 -0.71 0.00 0.00 33.22 30.58 1dbf n MET 79 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1dbf s ASP 80 N -1.84 6.19 -0.13 7.83 -1.08 -1.26 -4.83 116.67 121.54 1dbf s ASP 80 Ca 0.75 -1.44 -0.06 0.00 -0.52 0.00 0.00 52.55 51.29 1dbf s ASP 80 Cb -0.32 -2.27 -0.04 0.00 -1.46 0.00 0.00 42.92 38.83 1dbf s ASP 80 CO 0.48 -1.00 0.07 -0.69 0.52 0.00 0.00 175.17 174.54 1dbf s VAL 81 N 2.38 4.86 -0.02 1.11 1.01 -1.26 -5.03 120.40 123.44 1dbf s VAL 81 Ca 0.10 -0.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.74 1dbf s VAL 81 Cb -0.25 -3.12 -0.09 0.00 0.00 0.00 0.00 36.38 32.92 1dbf s VAL 81 CO 0.06 0.55 1.99 0.41 0.00 0.00 0.00 175.10 178.12 1dbf n THR 82 N 2.63 0.68 -0.84 3.92 -1.04 -1.26 0.54 114.28 118.91 1dbf n THR 82 Ca -0.18 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 1dbf n THR 82 Cb 0.53 -2.25 0.00 0.00 -1.82 0.00 0.00 70.33 66.80 1dbf n THR 82 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1dbf n GLY 83 N 4.69 0.90 3.78 3.41 0.00 -1.26 -5.02 105.19 111.69 1dbf n GLY 83 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 1dbf n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dbf s GLY 84 N -1.85 1.99 0.17 -0.02 0.00 0.19 -4.90 107.32 102.91 1dbf s GLY 84 Ca 0.00 0.42 -0.32 0.00 0.00 0.00 0.00 44.72 44.83 1dbf s GLY 84 CO 0.00 0.77 1.67 -2.27 0.00 0.00 0.00 173.10 173.26 1dbf s LEU 85 N -5.14 4.37 0.62 0.66 2.96 -1.26 -4.96 118.68 115.92 1dbf s LEU 85 Ca 0.64 2.73 -0.11 0.00 -0.22 0.00 0.00 54.13 57.18 1dbf s LEU 85 Cb -0.19 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 1dbf s LEU 85 CO 0.46 -0.91 1.03 -0.54 -1.32 0.00 0.00 176.35 175.06 1dbf s LYS 86 N 1.40 3.61 -1.36 1.98 -0.14 -1.26 -4.38 119.74 119.59 1dbf s LYS 86 Ca 0.73 0.75 -0.01 0.00 -1.36 0.00 0.00 55.97 56.08 1dbf s LYS 86 Cb -0.46 -2.09 -0.00 0.00 -1.68 0.00 0.00 37.83 33.60 1dbf s LYS 86 CO 0.32 -0.56 0.50 1.63 -0.76 0.00 0.00 175.35 176.49 1dbf n LYS 87 N -2.72 -3.52 -5.22 1.68 5.02 -1.26 -4.83 118.16 107.31 1dbf n LYS 87 Ca 0.06 0.46 -0.32 0.00 -2.02 0.00 0.00 58.31 56.49 1dbf n LYS 87 Cb 0.54 -4.64 -0.16 0.00 -0.02 0.00 0.00 35.03 30.75 1dbf n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1dbf s ILE 89 N -0.30 3.16 0.14 0.00 1.01 0.04 -1.94 121.20 123.31 1dbf s ILE 89 Ca 0.01 -0.60 0.09 0.00 0.00 0.00 0.00 60.65 60.15 1dbf s ILE 89 Cb -0.13 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 1dbf s ILE 89 CO 0.02 0.49 -0.18 -0.13 0.00 0.00 0.00 174.94 175.14 1dbf s ARG 90 N 0.82 1.76 0.06 2.79 0.52 -0.32 -0.74 118.95 123.84 1dbf s ARG 90 Ca -0.03 -1.26 0.07 0.00 -0.52 0.00 0.00 55.73 53.99 1dbf s ARG 90 Cb -0.15 -2.07 -0.03 0.00 0.52 0.00 0.00 34.95 33.23 1dbf s ARG 90 CO 0.01 0.46 -0.18 0.14 0.02 0.00 0.00 175.30 175.74 1dbf s VAL 91 N -1.31 1.48 -0.29 3.52 -7.23 -0.07 -0.42 120.40 116.09 1dbf s VAL 91 Ca 0.19 -1.22 0.01 0.00 -1.81 0.00 0.00 61.98 59.15 1dbf s VAL 91 Cb -0.10 -1.32 0.09 0.00 0.56 0.00 0.00 36.38 35.61 1dbf s VAL 91 CO 0.11 0.07 0.04 -0.32 -0.31 0.00 0.00 175.10 174.68 1dbf s MET 92 N -1.34 1.17 -0.25 4.82 1.75 -0.15 -1.97 119.30 123.32 1dbf s MET 92 Ca 0.05 -1.20 -0.09 0.00 -1.25 0.00 0.00 55.69 53.20 1dbf s MET 92 Cb -0.09 -2.48 -0.04 0.00 2.84 0.00 0.00 34.83 35.07 1dbf s MET 92 CO 0.02 -0.84 0.11 1.41 -0.65 0.00 0.00 175.02 175.08 1dbf s MET 93 N 1.39 3.81 -0.26 4.11 1.75 0.34 -1.13 119.30 129.32 1dbf s MET 93 Ca 0.05 -0.40 -0.11 0.00 -1.25 0.00 0.00 55.69 53.98 1dbf s MET 93 Cb -0.18 -3.43 -0.05 0.00 2.84 0.00 0.00 34.83 34.01 1dbf s MET 93 CO -0.14 -0.12 0.18 0.99 -0.65 0.00 0.00 175.02 175.28 1dbf s THR 94 N 1.48 5.34 0.12 10.11 2.01 0.15 0.15 115.64 134.99 1dbf s THR 94 Ca 0.06 0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.27 1dbf s THR 94 Cb -0.15 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1dbf s THR 94 CO 0.06 0.30 -0.09 0.68 -0.69 0.00 0.00 174.62 174.87 1dbf s VAL 95 N 1.40 0.96 -0.17 3.82 -7.23 0.33 0.33 120.40 119.84 1dbf s VAL 95 Ca 0.07 -1.88 -0.19 0.00 -1.81 0.00 0.00 61.98 58.18 1dbf s VAL 95 Cb -0.15 -1.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.13 1dbf s VAL 95 CO 0.08 -0.71 0.52 -1.58 -0.31 0.00 0.00 175.10 173.10 1dbf s GLN 96 N -3.42 4.25 0.04 4.82 0.74 0.15 -0.24 119.66 125.99 1dbf s GLN 96 Ca 0.11 0.46 -0.27 0.00 0.05 0.00 0.00 55.36 55.72 1dbf s GLN 96 Cb 0.01 -3.52 0.09 0.00 1.10 0.00 0.00 33.01 30.69 1dbf s GLN 96 CO -0.01 -0.05 0.76 -0.08 -0.55 0.00 0.00 175.29 175.37 1dbf s THR 97 N 1.30 0.00 -2.17 -0.34 -1.32 0.12 -4.92 115.64 108.31 1dbf s THR 97 Ca 0.26 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.94 1dbf s THR 97 Cb -0.15 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.90 1dbf s THR 97 CO 0.10 0.00 1.07 -0.90 -2.21 0.00 0.00 174.62 172.69 1dbf n ASP 98 N -0.06 2.24 -4.73 8.08 5.75 -1.26 -2.43 116.55 124.14 1dbf n ASP 98 Ca -0.13 -1.62 -0.42 0.00 -0.01 0.00 0.00 54.79 52.61 1dbf n ASP 98 Cb 0.62 0.29 -0.03 0.00 -1.03 0.00 0.00 41.12 40.97 1dbf n ASP 98 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1dbf s VAL 99 N -2.09 2.48 0.69 2.12 1.01 -1.26 -4.92 120.40 118.43 1dbf s VAL 99 Ca 0.20 0.36 -0.15 0.00 0.00 0.00 0.00 61.98 62.38 1dbf s VAL 99 Cb 0.17 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.34 1dbf s VAL 99 CO 0.42 0.03 1.16 -2.84 0.00 0.00 0.00 175.10 173.87 1dbf s PRO 100 N 0.76 2.51 0.25 2.72 0.02 -1.26 -4.82 135.00 135.18 1dbf s PRO 100 Ca 0.69 1.59 -0.04 0.00 0.02 0.00 0.00 61.00 63.25 1dbf s PRO 100 Cb -0.45 -1.90 0.48 0.00 0.02 0.00 0.00 34.50 32.66 1dbf s PRO 100 CO 0.35 -1.51 1.71 0.37 -0.33 0.00 0.00 177.00 177.58 1dbf h GLN 101 N -0.05 0.36 0.00 5.54 4.15 -1.98 -0.13 115.11 123.00 1dbf h GLN 101 Ca -0.47 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1dbf h GLN 101 Cb 1.27 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1dbf h GLN 101 CO 0.52 0.24 0.00 -0.40 -1.93 0.00 0.00 178.83 177.26 1dbf n ASP 102 N -5.07 0.00 -0.08 -0.69 5.68 -1.26 -2.93 116.55 112.20 1dbf n ASP 102 Ca 0.15 -1.49 0.04 0.00 -0.50 0.00 0.00 54.79 52.99 1dbf n ASP 102 Cb 0.45 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.40 1dbf n ASP 102 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1dbf n GLN 103 N -0.72 3.35 -1.74 0.11 1.13 -0.09 -5.00 117.38 114.42 1dbf n GLN 103 Ca 0.10 -0.22 -0.42 0.00 -1.94 0.00 0.00 57.00 54.52 1dbf n GLN 103 Cb 0.05 -0.97 -0.01 0.00 0.11 0.00 0.00 30.24 29.42 1dbf n GLN 103 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1dbf n ILE 104 N -0.85 1.41 -3.33 5.09 2.08 -1.04 -4.93 119.36 117.80 1dbf n ILE 104 Ca 0.02 -0.35 -0.45 0.00 0.56 0.00 0.00 62.75 62.53 1dbf n ILE 104 Cb 0.16 -1.87 -0.06 0.00 -0.75 0.00 0.00 39.64 37.12 1dbf n ILE 104 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1dbf s ARG 105 N -1.13 2.99 0.27 0.38 1.81 -1.26 -5.04 118.95 116.97 1dbf s ARG 105 Ca 0.60 -1.54 -0.26 0.00 -1.72 0.00 0.00 55.73 52.81 1dbf s ARG 105 Cb -0.51 -4.23 -0.09 0.00 -0.45 0.00 0.00 34.95 29.66 1dbf s ARG 105 CO 0.55 -1.22 0.90 -1.01 -0.68 0.00 0.00 175.30 173.83 1dbf s HIS 106 N 1.68 3.81 -0.13 -0.53 3.76 -1.26 -4.82 115.29 117.79 1dbf s HIS 106 Ca 0.04 1.76 0.02 0.00 -0.15 0.00 0.00 55.06 56.73 1dbf s HIS 106 Cb -0.27 -2.88 0.01 0.00 1.11 0.00 0.00 32.58 30.54 1dbf s HIS 106 CO 0.05 0.34 -0.20 0.08 -0.85 0.00 0.00 174.74 174.15 1dbf s VAL 107 N -1.41 1.93 -0.21 -0.90 1.01 -0.44 -4.99 120.40 115.38 1dbf s VAL 107 Ca 0.45 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1dbf s VAL 107 Cb -0.21 -1.72 0.04 0.00 0.00 0.00 0.00 36.38 34.49 1dbf s VAL 107 CO 0.26 0.53 -0.13 -0.31 0.00 0.00 0.00 175.10 175.45 1dbf s TYR 108 N 0.86 2.79 0.38 5.22 2.02 -1.26 -0.94 117.35 126.42 1dbf s TYR 108 Ca -0.07 -1.84 0.08 0.00 -0.37 0.00 0.00 57.07 54.87 1dbf s TYR 108 Cb -0.15 -1.81 -0.07 0.00 -0.40 0.00 0.00 41.96 39.52 1dbf s TYR 108 CO -0.02 -0.81 -0.03 -0.51 -1.57 0.00 0.00 175.55 172.61 1dbf s LEU 109 N 1.27 2.82 0.00 -1.29 1.43 -0.06 -4.28 118.68 118.57 1dbf s LEU 109 Ca -0.02 -1.29 0.00 0.00 -1.03 0.00 0.00 54.13 51.79 1dbf s LEU 109 Cb -0.17 -0.96 0.00 0.00 0.03 0.00 0.00 46.19 45.10 1dbf s LEU 109 CO -0.09 -0.34 0.00 -0.62 0.23 0.00 0.00 176.35 175.53 1dbf n GLU 110 N -0.90 0.00 0.02 1.70 -0.58 -1.26 -0.90 120.64 118.72 1dbf n GLU 110 Ca -0.05 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.80 1dbf n GLU 110 Cb 0.65 0.00 0.48 0.00 -0.57 0.00 0.00 31.44 32.01 1dbf n GLU 110 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1dbf n LYS 111 N 14.00 0.04 0.00 3.49 5.02 -1.26 -2.56 118.16 136.88 1dbf n LYS 111 Ca 0.00 0.13 0.08 0.00 -2.02 0.00 0.00 58.31 56.50 1dbf n LYS 111 Cb 0.00 -1.55 0.41 0.00 -0.02 0.00 0.00 35.03 33.87 1dbf n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1dbf n ALA 112 N -1.54 1.90 0.18 7.82 0.00 -0.08 -1.88 120.51 126.90 1dbf n ALA 112 Ca 0.05 -0.08 0.17 0.00 0.00 0.00 0.00 53.44 53.59 1dbf n ALA 112 Cb 0.28 -1.26 0.80 0.00 0.00 0.00 0.00 19.45 19.27 1dbf n ALA 112 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1dbf h VAL 113 N 0.00 0.53 0.00 0.00 3.04 -1.50 -0.94 116.25 117.38 1dbf h VAL 113 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1dbf h VAL 113 Cb 0.13 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 30.24 1dbf h VAL 113 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.57 177.89 1dbf n VAL 114 N -3.91 1.25 1.12 1.51 0.24 -0.79 -1.77 118.33 115.98 1dbf n VAL 114 Ca 0.03 0.38 0.12 0.00 -2.04 0.00 0.00 64.34 62.83 1dbf n VAL 114 Cb 0.36 -1.26 0.27 0.00 -1.47 0.00 0.00 33.84 31.74 1dbf n VAL 114 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1dbf n LEU 115 N -1.74 0.92 -4.77 1.34 4.77 -0.36 -4.94 117.00 112.22 1dbf n LEU 115 Ca 0.02 -0.22 -0.39 0.00 -0.03 0.00 0.00 56.01 55.38 1dbf n LEU 115 Cb 0.12 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1dbf n LEU 115 CO 0.10 0.19 0.85 0.00 -1.33 0.00 0.00 177.39 177.20 1dbf s ARG 116 N -2.71 4.25 0.12 3.23 1.70 -0.73 -4.89 118.95 119.93 1dbf s ARG 116 Ca 0.18 1.87 0.26 0.00 -0.47 0.00 0.00 55.73 57.58 1dbf s ARG 116 Cb 0.18 -2.85 0.97 0.00 -0.57 0.00 0.00 34.95 32.68 1dbf s ARG 116 CO 0.61 -0.16 1.81 -0.35 -1.08 0.00 0.00 175.30 176.13 1dbf n PRO 117 N 0.45 0.15 -3.78 3.89 -0.04 -1.26 -4.93 135.00 129.48 1dbf n PRO 117 Ca 0.02 0.16 -0.23 0.00 -0.04 0.00 0.00 63.50 63.41 1dbf n PRO 117 Cb 0.45 -1.68 0.02 0.00 -0.04 0.00 0.00 33.50 32.25 1dbf n PRO 117 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1dbf n ASP 118 N -1.94 -1.00 -4.83 3.54 8.00 -1.26 -4.94 116.55 114.11 1dbf n ASP 118 Ca 0.06 -0.87 -0.32 0.00 0.71 0.00 0.00 54.79 54.37 1dbf n ASP 118 Cb 0.37 -3.78 -0.00 0.00 -0.02 0.00 0.00 41.12 37.68 1dbf n ASP 118 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1dbf s LEU 119 N -6.77 3.48 -0.35 0.64 1.43 -1.26 -5.04 118.68 110.81 1dbf s LEU 119 Ca 0.02 1.64 0.03 0.00 -1.03 0.00 0.00 54.13 54.79 1dbf s LEU 119 Cb -0.01 -4.51 0.10 0.00 0.03 0.00 0.00 46.19 41.80 1dbf s LEU 119 CO 0.83 -0.91 0.07 -0.55 0.23 0.00 0.00 176.35 176.03 1dbf s SER 120 N -3.19 4.63 0.35 2.29 0.15 -1.26 -4.93 113.70 111.74 1dbf s SER 120 Ca 0.60 -2.17 0.18 0.00 0.70 0.00 0.00 55.95 55.26 1dbf s SER 120 Cb -0.13 -1.53 0.53 0.00 -1.71 0.00 0.00 66.02 63.18 1dbf s SER 120 CO 0.38 -0.37 1.66 0.25 1.20 0.00 0.00 173.24 176.36 1dbf h LEU 121 N 7.57 0.00 -1.44 3.45 5.85 -1.97 0.04 115.31 128.81 1dbf h LEU 121 Ca -0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1dbf h LEU 121 Cb 1.01 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 1dbf h LEU 121 CO 0.53 0.40 0.35 0.74 -0.34 0.00 0.00 178.44 180.12 1dbf h THR 122 N 0.00 1.15 0.09 1.05 2.02 -2.00 -1.08 112.91 114.14 1dbf h THR 122 Ca -0.00 -0.29 -0.34 0.00 0.77 0.00 0.00 66.41 66.54 1dbf h THR 122 Cb 1.03 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 1dbf h THR 122 CO 0.05 0.15 -1.92 1.17 0.37 0.00 0.00 175.52 175.34 1dbf n LYS 123 N -4.44 0.73 0.23 6.66 4.81 -1.08 -4.19 118.16 120.87 1dbf n LYS 123 Ca 0.05 0.27 0.07 0.00 -0.87 0.00 0.00 58.31 57.83 1dbf n LYS 123 Cb 0.06 -1.73 0.54 0.00 0.02 0.00 0.00 35.03 33.91 1dbf n LYS 123 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1dbf h ASN 124 N 0.05 0.00 0.62 3.14 -1.24 -0.56 -0.95 115.58 116.64 1dbf h ASN 124 Ca -0.39 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.62 1dbf h ASN 124 Cb 2.03 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.08 1dbf h ASN 124 CO 0.09 0.19 0.00 0.35 -1.29 0.00 0.00 177.43 176.77 1dbf n THR 125 N -4.15 0.63 -0.03 -3.57 -2.24 -0.45 -3.97 114.28 100.50 1dbf n THR 125 Ca -0.02 0.16 -0.03 0.00 -2.27 0.00 0.00 64.05 61.88 1dbf n THR 125 Cb 0.26 -0.83 -0.04 0.00 -2.10 0.00 0.00 70.33 67.62 1dbf n THR 125 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dbf n GLU 126 N -1.46 2.48 0.00 -0.78 -0.58 -0.40 -5.13 120.64 114.77 1dbf n GLU 126 Ca 0.05 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1dbf n GLU 126 Cb 0.21 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.94 1dbf n GLU 126 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93