#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2chs s ILE 3 N 0.00 2.88 0.09 1.12 -1.09 -1.26 -1.69 121.20 121.25 2chs s ILE 3 Ca 0.00 -0.74 0.02 0.00 -2.23 0.00 0.00 60.65 57.71 2chs s ILE 3 Cb 0.00 -2.18 -0.04 0.00 -1.58 0.00 0.00 42.46 38.67 2chs s ILE 3 CO 0.00 0.54 -0.08 -0.13 -1.23 0.00 0.00 174.94 174.04 2chs s ARG 4 N 0.12 0.79 -0.03 2.79 1.81 -0.27 -4.94 118.95 119.22 2chs s ARG 4 Ca -0.07 -1.17 -0.03 0.00 -1.72 0.00 0.00 55.73 52.73 2chs s ARG 4 Cb -0.15 -0.33 -0.04 0.00 -0.45 0.00 0.00 34.95 33.98 2chs s ARG 4 CO 0.05 0.03 0.16 0.20 -0.68 0.00 0.00 175.30 175.06 2chs s GLY 5 N -2.58 2.15 -0.08 -3.53 0.00 -1.26 -1.33 107.32 100.69 2chs s GLY 5 Ca 0.06 -0.76 0.04 0.00 0.00 0.00 0.00 44.72 44.06 2chs s GLY 5 CO -0.02 -0.62 -0.20 -0.42 0.00 0.00 0.00 173.10 171.84 2chs s ILE 6 N -1.25 2.51 0.26 0.90 1.01 0.75 -4.94 121.20 120.45 2chs s ILE 6 Ca 0.24 -0.89 0.11 0.00 0.00 0.00 0.00 60.65 60.11 2chs s ILE 6 Cb -0.12 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 2chs s ILE 6 CO 0.15 0.56 -0.12 -0.13 0.00 0.00 0.00 174.94 175.41 2chs s ARG 7 N -0.13 1.93 0.00 2.79 1.81 -1.26 -0.80 118.95 123.29 2chs s ARG 7 Ca -0.03 -1.58 -0.28 0.00 -1.72 0.00 0.00 55.73 52.12 2chs s ARG 7 Cb -0.14 -1.96 0.10 0.00 -0.45 0.00 0.00 34.95 32.51 2chs s ARG 7 CO 0.04 0.36 0.85 0.20 -0.68 0.00 0.00 175.30 176.07 2chs s GLY 8 N -3.45 -0.47 0.00 -3.53 0.00 -1.08 -1.30 107.32 97.49 2chs s GLY 8 Ca 0.29 1.03 -0.14 0.00 0.00 0.00 0.00 44.72 45.90 2chs s GLY 8 CO 0.16 0.38 0.30 0.00 0.00 0.00 0.00 173.10 173.94 2chs s ALA 9 N -3.00 -0.73 0.25 3.20 0.00 -0.29 -1.05 121.76 120.14 2chs s ALA 9 Ca 0.04 0.21 -0.14 0.00 0.00 0.00 0.00 51.96 52.07 2chs s ALA 9 Cb -0.01 0.14 -0.00 0.00 0.00 0.00 0.00 23.12 23.25 2chs s ALA 9 CO -0.08 -0.30 0.50 -0.08 0.00 0.00 0.00 175.76 175.80 2chs s THR 10 N -1.67 0.00 0.20 0.00 -1.32 -0.56 -0.14 115.64 112.15 2chs s THR 10 Ca -0.11 -1.37 0.07 0.00 -1.21 0.00 0.00 61.69 59.07 2chs s THR 10 Cb -0.04 -2.19 -0.05 0.00 -1.51 0.00 0.00 72.50 68.71 2chs s THR 10 CO 0.02 0.00 -0.13 0.42 -2.21 0.00 0.00 174.62 172.72 2chs s THR 11 N -3.99 1.62 0.27 5.08 -4.23 -1.25 -1.37 115.64 111.77 2chs s THR 11 Ca 0.21 -2.18 0.12 0.00 -1.18 0.00 0.00 61.69 58.66 2chs s THR 11 Cb -0.01 -2.05 -0.05 0.00 1.34 0.00 0.00 72.50 71.73 2chs s THR 11 CO 0.09 -0.59 -0.19 0.68 -0.54 0.00 0.00 174.62 174.07 2chs s VAL 12 N -3.04 2.52 -0.04 2.29 -7.23 -0.85 -4.83 120.40 109.21 2chs s VAL 12 Ca 0.22 -2.37 0.22 0.00 -1.81 0.00 0.00 61.98 58.25 2chs s VAL 12 Cb 0.00 -2.31 -0.33 0.00 0.56 0.00 0.00 36.38 34.30 2chs s VAL 12 CO 0.06 -0.38 0.50 -0.62 -0.31 0.00 0.00 175.10 174.35 2chs n GLU 13 N -0.58 0.66 -4.36 4.82 -0.58 -1.26 -4.84 120.64 114.50 2chs n GLU 13 Ca -0.05 -0.19 -0.18 0.00 -0.42 0.00 0.00 57.16 56.31 2chs n GLU 13 Cb 0.60 -1.53 -0.14 0.00 -0.57 0.00 0.00 31.44 29.79 2chs n GLU 13 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2chs s ARG 14 N -3.51 0.74 -0.84 3.49 0.52 -1.26 -5.06 118.95 113.03 2chs s ARG 14 Ca -0.08 -0.38 -0.25 0.00 -0.52 0.00 0.00 55.73 54.50 2chs s ARG 14 Cb 0.14 -0.71 0.02 0.00 0.52 0.00 0.00 34.95 34.92 2chs s ARG 14 CO 0.91 0.19 1.50 0.34 0.02 0.00 0.00 175.30 178.25 2chs s ASP 15 N -0.35 6.04 -0.01 0.23 2.15 -1.26 -4.72 116.67 118.75 2chs s ASP 15 Ca 0.03 -0.71 -0.12 0.00 0.43 0.00 0.00 52.55 52.18 2chs s ASP 15 Cb -0.04 -2.56 0.02 0.00 -0.30 0.00 0.00 42.92 40.04 2chs s ASP 15 CO -0.00 -1.91 0.25 0.28 -0.17 0.00 0.00 175.17 173.62 2chs s THR 16 N 6.44 0.06 0.13 1.71 -1.32 -1.26 -4.71 115.64 116.69 2chs s THR 16 Ca 0.47 -0.53 -0.19 0.00 -1.21 0.00 0.00 61.69 60.23 2chs s THR 16 Cb -0.06 -0.54 -0.05 0.00 -1.51 0.00 0.00 72.50 70.34 2chs s THR 16 CO 0.05 -0.29 1.74 -0.08 -2.21 0.00 0.00 174.62 173.83 2chs h GLU 17 N 4.08 0.14 -0.50 7.08 4.81 -1.90 0.56 114.58 128.85 2chs h GLU 17 Ca -0.30 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 58.99 2chs h GLU 17 Cb 1.18 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.47 2chs h GLU 17 CO 0.40 0.09 0.17 1.49 -0.73 0.00 0.00 179.01 180.43 2chs h GLU 18 N 0.14 0.34 0.20 1.92 4.22 -1.98 -1.52 114.58 117.90 2chs h GLU 18 Ca 0.09 -0.02 -0.31 0.00 0.08 0.00 0.00 59.36 59.20 2chs h GLU 18 Cb 0.07 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.27 2chs h GLU 18 CO -0.11 0.22 -1.40 1.49 -2.18 0.00 0.00 179.01 177.04 2chs h GLU 19 N 0.35 0.42 -0.36 1.92 4.81 -1.84 -1.90 114.58 117.98 2chs h GLU 19 Ca 0.24 -0.71 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2chs h GLU 19 Cb 0.26 0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 2chs h GLU 19 CO -0.25 1.34 0.23 0.82 -0.73 0.00 0.00 179.01 180.42 2chs h ILE 20 N 0.11 1.10 -0.35 2.32 2.04 -0.79 -1.35 117.51 120.58 2chs h ILE 20 Ca -0.21 -0.18 -0.12 0.00 1.00 0.00 0.00 64.86 65.35 2chs h ILE 20 Cb 2.08 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 2chs h ILE 20 CO 0.24 0.09 -0.27 -0.07 0.00 0.00 0.00 178.15 178.15 2chs h LEU 21 N 0.48 0.74 0.38 1.44 3.38 -1.32 -1.51 115.31 118.91 2chs h LEU 21 Ca 0.13 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2chs h LEU 21 Cb -0.05 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2chs h LEU 21 CO -0.03 0.97 -0.18 -0.61 0.09 0.00 0.00 178.44 178.68 2chs h GLN 22 N 0.62 -0.49 -0.53 1.13 4.15 -1.14 -1.14 115.11 117.71 2chs h GLN 22 Ca 0.08 0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.41 2chs h GLN 22 Cb 0.77 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.56 2chs h GLN 22 CO 0.06 -0.31 -0.13 0.87 -1.93 0.00 0.00 178.83 177.39 2chs h LYS 23 N -0.54 1.01 -0.41 1.69 1.79 -1.19 -0.85 116.57 118.07 2chs h LYS 23 Ca -0.05 -0.39 -0.02 0.00 -2.18 0.00 0.00 60.65 58.02 2chs h LYS 23 Cb 0.41 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 2chs h LYS 23 CO 0.09 1.07 0.20 1.15 -1.08 0.00 0.00 179.45 180.87 2chs h THR 24 N 0.89 1.18 -0.10 -0.16 2.02 -1.29 -0.88 112.91 114.57 2chs h THR 24 Ca 0.13 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 66.82 2chs h THR 24 Cb 0.70 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 2chs h THR 24 CO 0.05 0.19 0.04 0.50 0.37 0.00 0.00 175.52 176.67 2chs h LYS 25 N 0.52 0.09 -0.67 6.66 3.64 -0.97 -0.27 116.57 125.57 2chs h LYS 25 Ca 0.14 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 2chs h LYS 25 Cb 0.12 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 2chs h LYS 25 CO -0.02 0.06 0.44 1.96 -2.27 0.00 0.00 179.45 179.63 2chs h GLN 26 N 0.10 0.83 0.05 1.90 4.20 -1.03 -0.12 115.11 121.03 2chs h GLN 26 Ca 0.04 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 2chs h GLN 26 Cb 0.01 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.60 2chs h GLN 26 CO -0.03 0.55 -0.03 1.25 -0.67 0.00 0.00 178.83 179.90 2chs h LEU 27 N 0.85 -0.06 -0.53 1.46 5.85 -0.29 -2.62 115.31 119.97 2chs h LEU 27 Ca 0.26 -0.38 0.07 0.00 0.84 0.00 0.00 57.88 58.67 2chs h LEU 27 Cb -0.02 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 2chs h LEU 27 CO -0.06 0.36 0.20 -0.07 -0.34 0.00 0.00 178.44 178.52 2chs h LEU 28 N -0.49 0.22 -1.44 2.25 3.38 -0.91 -1.58 115.31 116.74 2chs h LEU 28 Ca -0.01 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2chs h LEU 28 Cb 0.44 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2chs h LEU 28 CO 0.01 0.15 -0.13 -0.33 0.09 0.00 0.00 178.44 178.23 2chs h GLU 29 N 0.39 0.21 -0.21 1.13 5.08 -1.02 -0.46 114.58 119.69 2chs h GLU 29 Ca 0.26 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.39 2chs h GLU 29 Cb 0.27 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2chs h GLU 29 CO -0.25 0.35 -0.58 -0.22 -1.00 0.00 0.00 179.01 177.31 2chs h LYS 30 N 0.20 0.77 -0.31 2.33 1.63 -1.06 -2.08 116.57 118.05 2chs h LYS 30 Ca 0.04 -0.54 -0.01 0.00 -0.85 0.00 0.00 60.65 59.29 2chs h LYS 30 Cb 0.35 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 2chs h LYS 30 CO 0.02 1.17 0.17 0.82 -3.45 0.00 0.00 179.45 178.18 2chs h ILE 31 N 0.50 1.13 0.32 2.00 2.04 -0.21 -0.78 117.51 122.52 2chs h ILE 31 Ca -0.01 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 2chs h ILE 31 Cb 1.20 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 2chs h ILE 31 CO 0.13 0.14 -0.16 0.40 0.00 0.00 0.00 178.15 178.66 2chs h ILE 32 N 0.38 0.70 -0.35 -0.67 2.04 -1.17 0.73 117.51 119.17 2chs h ILE 32 Ca 0.11 -0.13 0.08 0.00 1.00 0.00 0.00 64.86 65.92 2chs h ILE 32 Cb 0.07 0.77 -0.08 0.00 -0.74 0.00 0.00 36.82 36.83 2chs h ILE 32 CO -0.02 0.03 -0.22 -0.08 0.00 0.00 0.00 178.15 177.86 2chs h GLU 33 N -0.50 -0.17 0.00 2.37 4.81 -1.09 0.71 114.58 120.72 2chs h GLU 33 Ca -0.04 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 2chs h GLU 33 Cb 0.38 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2chs h GLU 33 CO 0.07 -0.11 -0.24 0.93 -0.73 0.00 0.00 179.01 178.93 2chs h GLU 34 N -0.17 0.00 -0.01 1.92 5.08 -1.07 -3.19 114.58 117.14 2chs h GLU 34 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2chs h GLU 34 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2chs h GLU 34 CO -0.45 0.24 -0.03 0.09 -1.00 0.00 0.00 179.01 177.85 2chs n ASN 35 N -3.55 1.40 -3.64 1.42 3.02 0.24 -4.80 115.26 109.34 2chs n ASN 35 Ca -0.01 -1.20 -0.22 0.00 -0.03 0.00 0.00 54.58 53.13 2chs n ASN 35 Cb 0.38 0.12 0.04 0.00 -0.61 0.00 0.00 39.78 39.71 2chs n ASN 35 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2chs n HIS 36 N 0.19 -1.97 -2.98 3.10 8.25 0.24 -4.94 115.22 117.11 2chs n HIS 36 Ca 0.04 0.79 -0.41 0.00 -0.26 0.00 0.00 57.72 57.88 2chs n HIS 36 Cb 0.16 -4.26 -0.05 0.00 1.12 0.00 0.00 29.99 26.96 2chs n HIS 36 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2chs s THR 37 N -3.61 4.96 0.02 1.59 2.01 -1.13 -5.05 115.64 114.43 2chs s THR 37 Ca 0.11 1.50 -0.17 0.00 0.31 0.00 0.00 61.69 63.44 2chs s THR 37 Cb -0.03 -4.07 -0.06 0.00 0.01 0.00 0.00 72.50 68.35 2chs s THR 37 CO 0.81 0.12 0.48 -0.54 -0.69 0.00 0.00 174.62 174.81 2chs s LYS 38 N 1.61 4.08 0.24 4.92 -0.14 -1.26 -4.92 119.74 124.26 2chs s LYS 38 Ca 0.37 0.56 -0.10 0.00 -1.36 0.00 0.00 55.97 55.43 2chs s LYS 38 Cb -0.17 -3.25 0.35 0.00 -1.68 0.00 0.00 37.83 33.08 2chs s LYS 38 CO 0.14 0.62 1.61 -1.00 -0.76 0.00 0.00 175.35 175.96 2chs h PRO 39 N 4.81 0.02 0.00 -1.68 0.13 -1.97 -1.77 132.00 131.53 2chs h PRO 39 Ca -0.50 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2chs h PRO 39 Cb 1.21 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2chs h PRO 39 CO 0.63 0.01 0.00 -0.85 -0.23 0.00 0.00 178.00 177.57 2chs n GLU 40 N -5.47 0.10 -0.15 0.86 0.00 -1.26 -1.65 120.64 113.07 2chs n GLU 40 Ca 0.11 0.23 0.11 0.00 0.00 0.00 0.00 57.16 57.61 2chs n GLU 40 Cb 0.41 -1.50 0.18 0.00 0.00 0.00 0.00 31.44 30.53 2chs n GLU 40 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2chs n ASP 41 N -1.30 3.22 -4.66 -1.84 8.00 -0.67 -4.88 116.55 114.42 2chs n ASP 41 Ca 0.04 -1.94 -0.39 0.00 0.71 0.00 0.00 54.79 53.21 2chs n ASP 41 Cb 0.06 -0.19 -0.07 0.00 -0.02 0.00 0.00 41.12 40.90 2chs n ASP 41 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2chs s VAL 42 N -1.45 5.17 -0.05 2.53 1.01 -0.66 -0.13 120.40 126.82 2chs s VAL 42 Ca 0.34 0.75 -0.26 0.00 0.00 0.00 0.00 61.98 62.81 2chs s VAL 42 Cb 0.20 -3.75 -0.22 0.00 0.00 0.00 0.00 36.38 32.61 2chs s VAL 42 CO 0.28 0.22 1.12 0.58 0.00 0.00 0.00 175.10 177.30 2chs h VAL 43 N 5.11 1.50 -1.37 2.92 2.07 -0.89 -3.47 116.25 122.14 2chs h VAL 43 Ca -0.35 -1.52 0.31 0.00 0.82 0.00 0.00 66.70 65.96 2chs h VAL 43 Cb 1.16 2.52 -0.15 0.00 -1.52 0.00 0.00 31.29 33.29 2chs h VAL 43 CO 0.71 0.40 0.86 0.00 0.02 0.00 0.00 177.57 179.56 2chs s GLN 44 N -3.65 0.29 -0.01 1.57 -2.07 -1.19 -4.63 119.66 109.96 2chs s GLN 44 Ca -0.17 -0.14 0.00 0.00 -1.82 0.00 0.00 55.36 53.24 2chs s GLN 44 Cb 0.01 0.11 0.01 0.00 -1.09 0.00 0.00 33.01 32.04 2chs s GLN 44 CO 0.69 -0.13 -0.01 1.41 -1.32 0.00 0.00 175.29 175.93 2chs s MET 45 N -2.34 0.15 -0.14 9.60 1.75 -0.23 -1.15 119.30 126.95 2chs s MET 45 Ca 0.13 -0.00 -0.04 0.00 -1.25 0.00 0.00 55.69 54.52 2chs s MET 45 Cb 0.03 -0.22 -0.03 0.00 2.84 0.00 0.00 34.83 37.44 2chs s MET 45 CO -0.04 -0.02 0.01 -0.51 -0.65 0.00 0.00 175.02 173.81 2chs s LEU 46 N 0.32 3.58 -0.13 4.11 1.43 -0.05 -2.57 118.68 125.36 2chs s LEU 46 Ca -0.03 0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.15 2chs s LEU 46 Cb -0.05 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.32 2chs s LEU 46 CO -0.01 0.25 -0.22 -0.76 0.23 0.00 0.00 176.35 175.84 2chs s LEU 47 N -0.10 2.11 0.23 1.79 1.43 -0.42 -0.93 118.68 122.79 2chs s LEU 47 Ca 0.05 -0.59 0.12 0.00 -1.03 0.00 0.00 54.13 52.67 2chs s LEU 47 Cb -0.13 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 2chs s LEU 47 CO 0.02 0.10 -0.22 -0.94 0.23 0.00 0.00 176.35 175.54 2chs s SER 48 N 0.69 3.54 0.03 2.29 1.04 0.12 -1.31 113.70 120.10 2chs s SER 48 Ca -0.10 -0.93 0.04 0.00 0.48 0.00 0.00 55.95 55.44 2chs s SER 48 Cb -0.16 -0.29 -0.02 0.00 0.10 0.00 0.00 66.02 65.65 2chs s SER 48 CO 0.01 0.08 -0.12 0.00 0.98 0.00 0.00 173.24 174.19 2chs s ALA 49 N -2.05 0.97 0.90 5.32 0.00 -1.04 -0.73 121.76 125.13 2chs s ALA 49 Ca 0.25 -0.72 -0.11 0.00 0.00 0.00 0.00 51.96 51.37 2chs s ALA 49 Cb -0.07 -0.14 0.13 0.00 0.00 0.00 0.00 23.12 23.05 2chs s ALA 49 CO 0.12 0.17 1.09 0.95 0.00 0.00 0.00 175.76 178.10 2chs s THR 50 N -0.81 2.63 -1.02 0.00 -4.23 -0.98 -0.90 115.64 110.33 2chs s THR 50 Ca -0.00 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 2chs s THR 50 Cb -0.07 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.18 2chs s THR 50 CO 0.01 -0.27 0.75 -0.81 -0.54 0.00 0.00 174.62 173.76 2chs n PRO 51 N -3.97 0.00 -0.20 3.99 -0.04 -1.26 -2.52 135.00 131.00 2chs n PRO 51 Ca 0.08 0.28 0.12 0.00 -0.04 0.00 0.00 63.50 63.94 2chs n PRO 51 Cb 0.54 -1.57 0.24 0.00 -0.04 0.00 0.00 33.50 32.67 2chs n PRO 51 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2chs n ASP 52 N -1.25 3.33 -4.54 3.54 5.68 -1.26 -4.90 116.55 117.14 2chs n ASP 52 Ca 0.00 -1.97 -0.34 0.00 -0.50 0.00 0.00 54.79 51.98 2chs n ASP 52 Cb 0.07 -0.26 -0.12 0.00 -1.14 0.00 0.00 41.12 39.67 2chs n ASP 52 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2chs s LEU 53 N -1.44 3.04 0.00 -2.12 1.43 -1.05 -4.91 118.68 113.63 2chs s LEU 53 Ca 0.39 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 2chs s LEU 53 Cb 0.22 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.79 2chs s LEU 53 CO 0.31 0.34 0.00 1.41 0.23 0.00 0.00 176.35 178.64 2chs n HIS 54 N 2.37 0.00 -0.02 0.29 8.25 -1.26 -4.95 115.22 119.89 2chs n HIS 54 Ca -0.18 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.18 2chs n HIS 54 Cb 0.53 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.59 2chs n HIS 54 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2chs h ALA 55 N 0.00 0.18 -2.59 -1.41 0.00 -1.91 -3.46 119.26 110.06 2chs h ALA 55 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2chs h ALA 55 Cb 0.10 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 17.70 2chs h ALA 55 CO 0.00 -0.32 -0.27 0.54 0.00 0.00 0.00 179.25 179.20 2chs s VAL 56 N -6.04 0.11 -0.07 0.00 0.11 -1.26 -4.75 120.40 108.50 2chs s VAL 56 Ca -0.13 -1.02 -0.30 0.00 -2.93 0.00 0.00 61.98 57.60 2chs s VAL 56 Cb 0.07 -1.33 -0.03 0.00 -1.53 0.00 0.00 36.38 33.56 2chs s VAL 56 CO 0.68 -0.52 1.16 -0.36 -3.33 0.00 0.00 175.10 172.73 2chs s PHE 57 N -3.85 3.26 0.63 1.54 0.08 -1.26 -4.90 117.98 113.48 2chs s PHE 57 Ca 0.05 1.30 0.33 0.00 0.12 0.00 0.00 56.93 58.73 2chs s PHE 57 Cb 0.04 -3.37 1.80 0.00 -0.57 0.00 0.00 43.02 40.92 2chs s PHE 57 CO -0.10 -1.06 2.08 -1.00 -0.10 0.00 0.00 175.22 175.04 2chs h PRO 58 N 7.38 0.00 -0.70 0.24 0.13 -1.96 -2.24 132.00 134.85 2chs h PRO 58 Ca -0.33 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.98 2chs h PRO 58 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 2chs h PRO 58 CO 0.88 0.00 0.49 0.00 -0.23 0.00 0.00 178.00 179.14 2chs h ALA 59 N 1.65 2.47 -0.16 -0.56 0.00 -1.95 -0.35 119.26 120.36 2chs h ALA 59 Ca 0.05 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2chs h ALA 59 Cb 0.50 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2chs h ALA 59 CO -0.00 -0.68 0.17 -0.22 0.00 0.00 0.00 179.25 178.53 2chs h LYS 60 N 0.13 0.00 0.00 0.00 3.64 -1.81 -0.15 116.57 118.38 2chs h LYS 60 Ca 0.34 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 2chs h LYS 60 Cb 1.16 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2chs h LYS 60 CO -0.05 0.00 -0.06 0.00 -2.27 0.00 0.00 179.45 177.08 2chs h ALA 61 N 1.80 1.06 -0.06 5.00 0.00 -1.28 -2.86 119.26 122.93 2chs h ALA 61 Ca 0.07 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2chs h ALA 61 Cb 0.42 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2chs h ALA 61 CO -0.00 0.07 -0.47 0.28 0.00 0.00 0.00 179.25 179.13 2chs h VAL 62 N 0.00 1.34 0.00 0.00 2.07 -1.20 -2.75 116.25 115.70 2chs h VAL 62 Ca -0.00 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 65.88 2chs h VAL 62 Cb 0.40 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2chs h VAL 62 CO 0.01 0.48 0.00 0.54 0.02 0.00 0.00 177.57 178.62 2chs n ARG 63 N -3.98 0.12 0.20 1.57 5.12 -1.08 -1.11 116.66 117.50 2chs n ARG 63 Ca -0.02 0.32 0.09 0.00 -1.93 0.00 0.00 57.85 56.31 2chs n ARG 63 Cb 0.51 -1.71 0.29 0.00 -1.16 0.00 0.00 32.46 30.39 2chs n ARG 63 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2chs h GLU 64 N 0.00 0.00 -5.68 5.56 5.08 -1.62 -3.43 114.58 114.50 2chs h GLU 64 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 2chs h GLU 64 Cb 0.37 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.52 2chs h GLU 64 CO 0.00 0.25 0.34 -0.51 -1.00 0.00 0.00 179.01 178.09 2chs s LEU 65 N -6.53 4.08 0.19 1.33 1.43 -0.27 -5.00 118.68 113.90 2chs s LEU 65 Ca 0.03 0.84 -0.31 0.00 -1.03 0.00 0.00 54.13 53.66 2chs s LEU 65 Cb 0.08 -3.04 -0.10 0.00 0.03 0.00 0.00 46.19 43.16 2chs s LEU 65 CO 0.67 -0.48 1.54 -0.94 0.23 0.00 0.00 176.35 177.36 2chs s SER 66 N 1.44 6.60 0.00 2.29 1.04 -1.26 -2.46 113.70 121.35 2chs s SER 66 Ca 0.31 2.63 0.00 0.00 0.48 0.00 0.00 55.95 59.37 2chs s SER 66 Cb -0.15 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.37 2chs s SER 66 CO 0.09 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.12 2chs n GLY 67 N 3.35 0.70 1.06 7.32 0.00 -1.26 -4.90 105.19 111.45 2chs n GLY 67 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.23 2chs n GLY 67 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2chs n TRP 68 N -2.00 0.80 0.28 1.61 7.02 -1.03 -4.57 117.44 119.55 2chs n TRP 68 Ca 0.00 -0.52 0.07 0.00 -1.02 0.00 0.00 57.50 56.03 2chs n TRP 68 Cb 0.00 -0.04 0.32 0.00 -2.42 0.00 0.00 31.31 29.18 2chs n TRP 68 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2chs n GLN 69 N 1.09 0.07 -0.17 -0.99 0.00 -1.26 -2.54 117.38 113.59 2chs n GLN 69 Ca 0.19 0.43 0.06 0.00 0.00 0.00 0.00 57.00 57.68 2chs n GLN 69 Cb 0.57 -1.67 0.15 0.00 0.00 0.00 0.00 30.24 29.28 2chs n GLN 69 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2chs n TYR 70 N -1.81 0.44 -2.62 2.61 4.01 -1.26 -4.96 117.16 113.56 2chs n TYR 70 Ca 0.01 -0.43 -0.43 0.00 -0.16 0.00 0.00 57.90 56.90 2chs n TYR 70 Cb 0.11 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.10 2chs n TYR 70 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2chs s VAL 71 N -1.00 4.55 0.08 -0.72 1.01 -1.05 -4.99 120.40 118.27 2chs s VAL 71 Ca 0.24 1.83 -0.31 0.00 0.00 0.00 0.00 61.98 63.74 2chs s VAL 71 Cb 0.13 -4.31 -0.09 0.00 0.00 0.00 0.00 36.38 32.10 2chs s VAL 71 CO 0.17 -0.31 1.77 -2.84 0.00 0.00 0.00 175.10 173.89 2chs s PRO 72 N 3.46 4.16 0.04 2.72 0.02 -1.26 -4.93 135.00 139.21 2chs s PRO 72 Ca 0.46 2.48 0.02 0.00 0.02 0.00 0.00 61.00 63.98 2chs s PRO 72 Cb -0.15 -3.69 -0.02 0.00 0.02 0.00 0.00 34.50 30.66 2chs s PRO 72 CO 0.11 -0.82 -0.07 0.14 -0.33 0.00 0.00 177.00 176.04 2chs s VAL 73 N 2.98 0.44 0.13 3.83 -7.23 -1.26 -1.07 120.40 118.24 2chs s VAL 73 Ca 0.79 -1.11 -0.12 0.00 -1.81 0.00 0.00 61.98 59.74 2chs s VAL 73 Cb -0.43 -0.61 0.01 0.00 0.56 0.00 0.00 36.38 35.91 2chs s VAL 73 CO 0.35 -0.45 0.31 0.28 -0.31 0.00 0.00 175.10 175.28 2chs s THR 74 N -1.58 0.09 0.35 5.32 -1.32 -1.06 -4.99 115.64 112.44 2chs s THR 74 Ca -0.10 -1.05 0.08 0.00 -1.21 0.00 0.00 61.69 59.42 2chs s THR 74 Cb -0.09 -1.48 -0.05 0.00 -1.51 0.00 0.00 72.50 69.38 2chs s THR 74 CO -0.00 -0.40 0.10 0.00 -2.21 0.00 0.00 174.62 172.11 2chs s MET 76 N -3.80 1.20 -0.14 0.00 0.23 -0.43 -4.91 119.30 111.45 2chs s MET 76 Ca 0.37 -0.64 -0.15 0.00 -1.03 0.00 0.00 55.69 54.25 2chs s MET 76 Cb -0.01 0.52 -0.05 0.00 -1.53 0.00 0.00 34.83 33.77 2chs s MET 76 CO 0.21 -0.50 0.34 -1.14 -2.03 0.00 0.00 175.02 171.90 2chs s GLN 77 N -3.79 4.21 0.40 3.16 0.74 -1.26 -2.48 119.66 120.63 2chs s GLN 77 Ca 0.03 0.19 -0.26 0.00 0.05 0.00 0.00 55.36 55.37 2chs s GLN 77 Cb 0.00 -3.40 -0.08 0.00 1.10 0.00 0.00 33.01 30.63 2chs s GLN 77 CO -0.11 0.28 1.21 -2.00 -0.55 0.00 0.00 175.29 174.12 2chs s GLU 78 N 0.30 4.03 0.48 1.67 2.56 -0.08 -4.90 118.70 122.76 2chs s GLU 78 Ca 0.19 1.94 -0.22 0.00 0.00 0.00 0.00 54.97 56.88 2chs s GLU 78 Cb -0.14 -2.71 -0.07 0.00 2.00 0.00 0.00 34.13 33.21 2chs s GLU 78 CO 0.06 -0.37 1.19 0.00 -0.56 0.00 0.00 175.26 175.58 2chs s MET 79 N -2.26 3.61 -0.43 4.30 0.23 -1.26 -4.30 119.30 119.19 2chs s MET 79 Ca 0.57 1.83 -0.19 0.00 -1.03 0.00 0.00 55.69 56.86 2chs s MET 79 Cb -0.33 -2.33 0.02 0.00 -1.53 0.00 0.00 34.83 30.66 2chs s MET 79 CO 0.42 -0.69 0.54 0.34 -2.03 0.00 0.00 175.02 173.60 2chs s ASP 80 N -1.35 6.26 0.12 -1.18 2.15 -1.26 -4.89 116.67 116.51 2chs s ASP 80 Ca 0.66 -0.52 0.10 0.00 0.43 0.00 0.00 52.55 53.22 2chs s ASP 80 Cb -0.30 -2.27 -0.04 0.00 -0.30 0.00 0.00 42.92 40.01 2chs s ASP 80 CO 0.36 -0.68 -0.26 -0.69 -0.17 0.00 0.00 175.17 173.73 2chs s VAL 81 N 2.46 2.17 0.28 1.11 1.01 -1.26 -5.08 120.40 121.09 2chs s VAL 81 Ca 0.17 -1.69 -0.29 0.00 0.00 0.00 0.00 61.98 60.18 2chs s VAL 81 Cb -0.16 -1.92 -0.09 0.00 0.00 0.00 0.00 36.38 34.21 2chs s VAL 81 CO 0.16 0.10 1.04 -0.89 0.00 0.00 0.00 175.10 175.51 2chs s THR 82 N -1.04 3.73 0.00 3.92 2.01 -1.26 -2.79 115.64 120.21 2chs s THR 82 Ca 0.13 1.67 0.00 0.00 0.31 0.00 0.00 61.69 63.80 2chs s THR 82 Cb -0.10 -4.04 0.00 0.00 0.01 0.00 0.00 72.50 68.37 2chs s THR 82 CO 0.05 0.35 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 2chs n GLY 83 N 1.15 2.84 3.70 4.40 0.00 -1.26 -4.99 105.19 111.03 2chs n GLY 83 Ca -0.01 -0.13 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 2chs n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2chs n GLY 84 N 0.00 1.09 3.72 -0.02 0.00 -1.12 -4.91 105.19 103.95 2chs n GLY 84 Ca 0.00 0.51 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 2chs n GLY 84 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2chs s LEU 85 N 0.07 4.37 0.53 0.99 2.96 -1.26 -4.95 118.68 121.40 2chs s LEU 85 Ca 0.68 2.60 -0.06 0.00 -0.22 0.00 0.00 54.13 57.14 2chs s LEU 85 Cb -0.58 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.49 2chs s LEU 85 CO 0.46 -0.81 0.84 -0.54 -1.32 0.00 0.00 176.35 174.99 2chs s LYS 86 N 1.09 3.33 -1.30 1.98 -0.14 -1.26 -4.13 119.74 119.31 2chs s LYS 86 Ca 0.69 0.17 -0.10 0.00 -1.36 0.00 0.00 55.97 55.37 2chs s LYS 86 Cb -0.43 -2.32 0.07 0.00 -1.68 0.00 0.00 37.83 33.47 2chs s LYS 86 CO 0.31 -0.40 0.50 1.63 -0.76 0.00 0.00 175.35 176.64 2chs n LYS 87 N -2.41 -3.41 -3.93 1.68 5.02 -1.26 -4.84 118.16 109.01 2chs n LYS 87 Ca 0.02 0.48 -0.37 0.00 -2.02 0.00 0.00 58.31 56.42 2chs n LYS 87 Cb 0.56 -5.19 -0.06 0.00 -0.02 0.00 0.00 35.03 30.32 2chs n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2chs s ILE 89 N -1.03 2.19 0.04 0.00 1.01 -0.47 -2.32 121.20 120.62 2chs s ILE 89 Ca 0.15 -0.99 0.06 0.00 0.00 0.00 0.00 60.65 59.88 2chs s ILE 89 Cb -0.12 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 2chs s ILE 89 CO 0.04 0.56 -0.19 -0.13 0.00 0.00 0.00 174.94 175.23 2chs s ARG 90 N 0.17 1.28 0.08 2.79 0.52 0.09 -1.49 118.95 122.38 2chs s ARG 90 Ca -0.13 -0.86 0.08 0.00 -0.52 0.00 0.00 55.73 54.30 2chs s ARG 90 Cb -0.16 -1.35 -0.03 0.00 0.52 0.00 0.00 34.95 33.92 2chs s ARG 90 CO 0.07 0.35 -0.22 0.54 0.02 0.00 0.00 175.30 176.06 2chs s VAL 91 N -0.76 1.77 -0.21 3.52 0.11 -0.22 -0.71 120.40 123.90 2chs s VAL 91 Ca 0.06 -1.42 -0.01 0.00 -2.93 0.00 0.00 61.98 57.68 2chs s VAL 91 Cb -0.08 -1.57 0.06 0.00 -1.53 0.00 0.00 36.38 33.26 2chs s VAL 91 CO 0.01 0.08 -0.01 -0.32 -3.33 0.00 0.00 175.10 171.54 2chs s MET 92 N -1.59 1.09 -0.21 1.54 1.75 -0.11 -2.64 119.30 119.13 2chs s MET 92 Ca 0.08 -0.66 -0.06 0.00 -1.25 0.00 0.00 55.69 53.80 2chs s MET 92 Cb -0.10 -2.30 -0.03 0.00 2.84 0.00 0.00 34.83 35.25 2chs s MET 92 CO 0.03 -0.61 0.03 1.41 -0.65 0.00 0.00 175.02 175.23 2chs s MET 93 N 1.66 3.71 -0.34 4.11 1.75 0.02 -0.88 119.30 129.34 2chs s MET 93 Ca -0.03 -0.47 -0.14 0.00 -1.25 0.00 0.00 55.69 53.80 2chs s MET 93 Cb -0.18 -3.17 -0.02 0.00 2.84 0.00 0.00 34.83 34.30 2chs s MET 93 CO -0.07 0.02 0.31 0.99 -0.65 0.00 0.00 175.02 175.63 2chs s THR 94 N 1.01 5.21 0.21 10.11 2.01 -0.30 -0.17 115.64 133.71 2chs s THR 94 Ca 0.03 -0.01 0.10 0.00 0.31 0.00 0.00 61.69 62.11 2chs s THR 94 Cb -0.14 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 2chs s THR 94 CO 0.02 -0.04 -0.19 0.68 -0.69 0.00 0.00 174.62 174.40 2chs s VAL 95 N 1.91 2.09 -0.24 3.82 -7.23 -0.44 -0.19 120.40 120.12 2chs s VAL 95 Ca 0.10 -2.12 -0.23 0.00 -1.81 0.00 0.00 61.98 57.93 2chs s VAL 95 Cb -0.17 -2.05 -0.01 0.00 0.56 0.00 0.00 36.38 34.71 2chs s VAL 95 CO 0.11 -0.34 0.73 -1.58 -0.31 0.00 0.00 175.10 173.72 2chs s GLN 96 N -3.09 4.16 0.01 4.82 0.74 0.82 -1.11 119.66 126.01 2chs s GLN 96 Ca 0.22 0.76 -0.23 0.00 0.05 0.00 0.00 55.36 56.16 2chs s GLN 96 Cb -0.05 -3.64 0.05 0.00 1.10 0.00 0.00 33.01 30.47 2chs s GLN 96 CO 0.09 -0.44 0.51 -0.08 -0.55 0.00 0.00 175.29 174.82 2chs s THR 97 N 2.60 0.03 -1.61 -0.34 -1.32 -0.68 -4.94 115.64 109.38 2chs s THR 97 Ca 0.31 -0.25 0.24 0.00 -1.21 0.00 0.00 61.69 60.78 2chs s THR 97 Cb -0.15 -0.90 0.02 0.00 -1.51 0.00 0.00 72.50 69.96 2chs s THR 97 CO 0.08 -0.14 1.22 0.47 -2.21 0.00 0.00 174.62 174.05 2chs n ASP 98 N 0.75 1.34 -4.73 8.08 8.00 -1.26 -0.52 116.55 128.22 2chs n ASP 98 Ca -0.19 -1.07 -0.42 0.00 0.71 0.00 0.00 54.79 53.82 2chs n ASP 98 Cb 0.58 0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 42.12 2chs n ASP 98 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2chs s VAL 99 N -2.66 2.34 0.63 2.53 1.01 -1.26 -4.92 120.40 118.07 2chs s VAL 99 Ca 0.17 0.26 -0.18 0.00 0.00 0.00 0.00 61.98 62.23 2chs s VAL 99 Cb 0.18 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 2chs s VAL 99 CO 0.64 0.03 1.24 -2.16 0.00 0.00 0.00 175.10 174.84 2chs s PRO 100 N 0.71 2.72 0.40 2.72 0.04 -1.26 -4.87 135.00 135.46 2chs s PRO 100 Ca 0.69 1.91 0.19 0.00 0.04 0.00 0.00 61.00 63.83 2chs s PRO 100 Cb -0.46 -1.89 1.13 0.00 0.04 0.00 0.00 34.50 33.32 2chs s PRO 100 CO 0.36 -1.43 1.76 0.37 0.04 0.00 0.00 177.00 178.10 2chs h GLN 101 N 0.62 0.36 -0.11 4.56 4.15 -1.98 0.37 115.11 123.07 2chs h GLN 101 Ca -0.50 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.90 2chs h GLN 101 Cb 1.31 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.92 2chs h GLN 101 CO 0.54 0.24 0.00 -0.40 -1.93 0.00 0.00 178.83 177.27 2chs n ASP 102 N -4.63 1.43 -0.25 -0.69 5.75 -1.26 -3.36 116.55 113.53 2chs n ASP 102 Ca 0.26 -1.62 0.05 0.00 -0.01 0.00 0.00 54.79 53.47 2chs n ASP 102 Cb 0.92 -0.07 0.01 0.00 -1.03 0.00 0.00 41.12 40.94 2chs n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2chs n GLN 103 N 0.15 1.74 -2.20 0.11 6.02 0.11 -4.98 117.38 118.34 2chs n GLN 103 Ca 0.17 -0.69 -0.41 0.00 -0.01 0.00 0.00 57.00 56.05 2chs n GLN 103 Cb 0.30 -1.09 -0.03 0.00 1.02 0.00 0.00 30.24 30.45 2chs n GLN 103 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2chs s ILE 104 N -1.19 3.15 -0.50 5.09 -1.09 -1.19 -4.96 121.20 120.52 2chs s ILE 104 Ca 0.09 0.95 -0.19 0.00 -2.23 0.00 0.00 60.65 59.27 2chs s ILE 104 Cb 0.08 -3.61 0.06 0.00 -1.58 0.00 0.00 42.46 37.41 2chs s ILE 104 CO 0.21 0.14 0.60 -0.13 -1.23 0.00 0.00 174.94 174.53 2chs s ARG 105 N -0.12 3.12 0.11 2.79 0.52 -1.26 -5.07 118.95 119.04 2chs s ARG 105 Ca 0.57 -0.90 -0.15 0.00 -0.52 0.00 0.00 55.73 54.73 2chs s ARG 105 Cb -0.37 -4.09 -0.07 0.00 0.52 0.00 0.00 34.95 30.95 2chs s ARG 105 CO 0.39 -1.18 0.53 -1.01 0.02 0.00 0.00 175.30 174.05 2chs s HIS 106 N 2.53 3.66 -0.15 -0.53 3.76 -1.26 -4.80 115.29 118.50 2chs s HIS 106 Ca 0.14 1.08 0.01 0.00 -0.15 0.00 0.00 55.06 56.14 2chs s HIS 106 Cb -0.19 -2.37 0.02 0.00 1.11 0.00 0.00 32.58 31.15 2chs s HIS 106 CO 0.12 0.49 -0.16 0.08 -0.85 0.00 0.00 174.74 174.42 2chs s VAL 107 N -1.36 1.68 -0.26 -0.90 1.01 -0.42 -4.95 120.40 115.20 2chs s VAL 107 Ca 0.34 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.61 2chs s VAL 107 Cb -0.16 -1.56 0.04 0.00 0.00 0.00 0.00 36.38 34.71 2chs s VAL 107 CO 0.18 0.48 -0.07 -0.31 0.00 0.00 0.00 175.10 175.39 2chs s TYR 108 N 1.37 3.15 0.32 5.22 2.02 -1.26 -1.13 117.35 127.04 2chs s TYR 108 Ca 0.03 -1.84 0.07 0.00 -0.37 0.00 0.00 57.07 54.96 2chs s TYR 108 Cb -0.13 -2.03 -0.02 0.00 -0.40 0.00 0.00 41.96 39.37 2chs s TYR 108 CO -0.10 -0.79 0.32 -0.51 -1.57 0.00 0.00 175.55 172.90 2chs s LEU 109 N 1.25 3.71 0.00 -1.29 1.43 0.80 -3.90 118.68 120.69 2chs s LEU 109 Ca -0.03 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 2chs s LEU 109 Cb -0.18 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.69 2chs s LEU 109 CO -0.04 -0.33 0.00 -0.62 0.23 0.00 0.00 176.35 175.59 2chs n GLU 110 N -1.41 0.00 0.00 1.70 -0.58 -1.26 -0.12 120.64 118.98 2chs n GLU 110 Ca -0.02 0.00 0.15 0.00 -0.42 0.00 0.00 57.16 56.87 2chs n GLU 110 Cb 0.59 0.00 0.80 0.00 -0.57 0.00 0.00 31.44 32.27 2chs n GLU 110 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2chs n LYS 111 N 14.00 0.57 0.00 3.49 5.02 -1.26 -2.72 118.16 137.25 2chs n LYS 111 Ca 0.00 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.45 2chs n LYS 111 Cb 0.00 -1.50 0.88 0.00 -0.02 0.00 0.00 35.03 34.39 2chs n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2chs n ALA 112 N -1.21 2.67 0.07 7.82 0.00 0.83 -2.86 120.51 127.82 2chs n ALA 112 Ca 0.17 -0.23 0.01 0.00 0.00 0.00 0.00 53.44 53.38 2chs n ALA 112 Cb 0.21 -1.47 0.04 0.00 0.00 0.00 0.00 19.45 18.22 2chs n ALA 112 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2chs n VAL 113 N -0.86 1.45 -0.39 0.00 0.24 -1.10 -1.84 118.33 115.83 2chs n VAL 113 Ca 0.23 0.36 -0.15 0.00 -2.04 0.00 0.00 64.34 62.74 2chs n VAL 113 Cb 0.15 -1.34 0.09 0.00 -1.47 0.00 0.00 33.84 31.28 2chs n VAL 113 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 2chs n VAL 114 N -1.38 2.38 -0.34 3.34 3.14 -1.14 -5.06 118.33 119.27 2chs n VAL 114 Ca 0.01 -1.23 0.00 0.00 -2.96 0.00 0.00 64.34 60.16 2chs n VAL 114 Cb 0.02 -0.79 0.00 0.00 -1.06 0.00 0.00 33.84 32.01 2chs n VAL 114 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55