#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 1.88 0.07 1.12 -1.09 -1.26 -1.35 121.20 120.57 2chs s ILE 3 Ca 0.00 -0.95 0.01 0.00 -2.23 0.00 0.00 60.65 57.47 2chs s ILE 3 Cb 0.00 -1.61 -0.04 0.00 -1.58 0.00 0.00 42.46 39.24 2chs s ILE 3 CO 0.00 0.52 -0.05 -0.13 -1.23 0.00 0.00 174.94 174.05 2chs s ARG 4 N 0.03 0.70 0.05 2.79 0.52 -0.37 -4.93 118.95 117.74 2chs s ARG 4 Ca -0.08 -1.20 -0.05 0.00 -0.52 0.00 0.00 55.73 53.88 2chs s ARG 4 Cb -0.14 -0.05 -0.05 0.00 0.52 0.00 0.00 34.95 35.23 2chs s ARG 4 CO 0.05 -0.05 0.29 0.20 0.02 0.00 0.00 175.30 175.81 2chs s GLY 5 N -2.76 2.24 -0.06 -3.53 0.00 -1.26 -1.32 107.32 100.63 2chs s GLY 5 Ca 0.06 -0.60 0.06 0.00 0.00 0.00 0.00 44.72 44.24 2chs s GLY 5 CO -0.06 -0.46 -0.24 -0.42 0.00 0.00 0.00 173.10 171.92 2chs s ILE 6 N -1.40 2.14 0.10 0.90 1.01 0.33 -4.95 121.20 119.33 2chs s ILE 6 Ca 0.31 -1.04 0.06 0.00 0.00 0.00 0.00 60.65 59.98 2chs s ILE 6 Cb -0.13 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 2chs s ILE 6 CO 0.19 0.57 -0.06 -0.13 0.00 0.00 0.00 174.94 175.52 2chs s ARG 7 N -0.23 2.29 0.10 2.79 1.81 -1.26 -1.47 118.95 122.98 2chs s ARG 7 Ca -0.02 -0.95 -0.10 0.00 -1.72 0.00 0.00 55.73 52.94 2chs s ARG 7 Cb -0.13 -2.40 0.01 0.00 -0.45 0.00 0.00 34.95 31.97 2chs s ARG 7 CO 0.03 0.52 0.23 0.20 -0.68 0.00 0.00 175.30 175.60 2chs s GLY 8 N -2.26 0.02 -0.12 -3.53 0.00 -0.89 -1.59 107.32 98.96 2chs s GLY 8 Ca 0.23 -0.51 -0.19 0.00 0.00 0.00 0.00 44.72 44.25 2chs s GLY 8 CO 0.16 -0.71 0.48 0.00 0.00 0.00 0.00 173.10 173.03 2chs s ALA 9 N -3.85 -1.21 0.25 3.20 0.00 -0.70 -1.83 121.76 117.62 2chs s ALA 9 Ca 0.05 1.10 -0.05 0.00 0.00 0.00 0.00 51.96 53.06 2chs s ALA 9 Cb 0.04 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 2chs s ALA 9 CO -0.11 -0.27 0.32 -0.08 0.00 0.00 0.00 175.76 175.62 2chs s THR 10 N -0.43 0.00 0.20 0.00 -1.32 -0.31 -1.06 115.64 112.71 2chs s THR 10 Ca -0.06 -1.73 0.03 0.00 -1.21 0.00 0.00 61.69 58.72 2chs s THR 10 Cb -0.03 -2.42 -0.05 0.00 -1.51 0.00 0.00 72.50 68.49 2chs s THR 10 CO 0.03 0.00 -0.02 0.42 -2.21 0.00 0.00 174.62 172.84 2chs s THR 11 N -3.88 0.95 0.24 5.08 -4.23 -1.26 -1.32 115.64 111.22 2chs s THR 11 Ca 0.32 -2.02 0.09 0.00 -1.18 0.00 0.00 61.69 58.90 2chs s THR 11 Cb 0.03 -2.18 -0.05 0.00 1.34 0.00 0.00 72.50 71.64 2chs s THR 11 CO 0.13 -0.45 -0.16 0.68 -0.54 0.00 0.00 174.62 174.28 2chs s VAL 12 N -3.47 1.98 -0.03 2.29 -7.23 -0.44 -4.80 120.40 108.70 2chs s VAL 12 Ca 0.25 -2.27 0.12 0.00 -1.81 0.00 0.00 61.98 58.27 2chs s VAL 12 Cb 0.05 -2.16 -0.21 0.00 0.56 0.00 0.00 36.38 34.62 2chs s VAL 12 CO 0.06 -0.51 0.78 -0.33 -0.31 0.00 0.00 175.10 174.78 2chs h GLU 13 N 2.44 0.00 -4.22 4.82 4.39 -1.95 -3.46 114.58 116.60 2chs h GLU 13 Ca -0.39 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.08 2chs h GLU 13 Cb 1.23 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 29.66 2chs h GLU 13 CO 0.62 0.55 -0.72 1.03 -1.16 0.00 0.00 179.01 179.32 2chs s ARG 14 N -2.65 0.37 -1.28 2.33 0.52 -1.26 -5.07 118.95 111.91 2chs s ARG 14 Ca -0.04 -0.55 -0.19 0.00 -0.52 0.00 0.00 55.73 54.44 2chs s ARG 14 Cb 0.08 -0.12 0.05 0.00 0.52 0.00 0.00 34.95 35.49 2chs s ARG 14 CO 0.82 0.01 1.76 0.34 0.02 0.00 0.00 175.30 178.25 2chs s ASP 15 N -1.18 6.64 0.05 0.23 2.15 -1.26 -4.64 116.67 118.66 2chs s ASP 15 Ca -0.10 -2.36 0.03 0.00 0.43 0.00 0.00 52.55 50.56 2chs s ASP 15 Cb -0.08 -2.58 -0.02 0.00 -0.30 0.00 0.00 42.92 39.94 2chs s ASP 15 CO -0.00 -1.38 -0.09 0.28 -0.17 0.00 0.00 175.17 173.80 2chs s THR 16 N 4.98 0.67 0.21 1.71 -1.32 -1.26 -4.71 115.64 115.92 2chs s THR 16 Ca 0.55 -1.12 -0.10 0.00 -1.21 0.00 0.00 61.69 59.82 2chs s THR 16 Cb 0.03 -0.71 0.14 0.00 -1.51 0.00 0.00 72.50 70.45 2chs s THR 16 CO 0.08 -0.34 1.81 -0.08 -2.21 0.00 0.00 174.62 173.88 2chs h GLU 17 N 4.47 0.65 0.34 7.08 4.81 -1.90 -2.21 114.58 127.82 2chs h GLU 17 Ca -0.37 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 2chs h GLU 17 Cb 1.20 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 2chs h GLU 17 CO 0.41 0.43 -0.24 1.49 -0.73 0.00 0.00 179.01 180.36 2chs h GLU 18 N 0.67 -0.55 -0.83 1.92 4.81 -1.96 -1.19 114.58 117.44 2chs h GLU 18 Ca 0.29 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 2chs h GLU 18 Cb 0.18 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 2chs h GLU 18 CO -0.18 -0.37 0.50 1.49 -0.73 0.00 0.00 179.01 179.72 2chs h GLU 19 N -0.57 1.12 -0.64 1.92 4.81 -1.85 -0.59 114.58 118.77 2chs h GLU 19 Ca -0.03 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 2chs h GLU 19 Cb 0.49 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 2chs h GLU 19 CO 0.01 0.79 0.12 0.82 -0.73 0.00 0.00 179.01 180.03 2chs h ILE 20 N 1.13 1.26 0.08 2.32 2.04 -1.17 -1.37 117.51 121.80 2chs h ILE 20 Ca 0.30 -0.98 -0.26 0.00 1.00 0.00 0.00 64.86 64.92 2chs h ILE 20 Cb -0.04 0.62 0.01 0.00 -0.74 0.00 0.00 36.82 36.67 2chs h ILE 20 CO -0.06 0.37 -1.13 -0.07 0.00 0.00 0.00 178.15 177.26 2chs h LEU 21 N 0.98 0.52 -0.03 1.44 3.38 -1.03 -2.40 115.31 118.16 2chs h LEU 21 Ca 0.20 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 2chs h LEU 21 Cb 0.39 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2chs h LEU 21 CO 0.01 1.34 0.00 -0.61 0.09 0.00 0.00 178.44 179.26 2chs h GLN 22 N 0.15 0.05 -0.29 1.13 4.15 -0.98 -1.41 115.11 117.92 2chs h GLN 22 Ca -0.12 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.24 2chs h GLN 22 Cb 1.82 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.49 2chs h GLN 22 CO 0.19 0.34 0.00 0.87 -1.93 0.00 0.00 178.83 178.31 2chs h LYS 23 N -0.25 0.51 -0.65 1.69 1.79 -1.36 -0.70 116.57 117.60 2chs h LYS 23 Ca 0.01 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 2chs h LYS 23 Cb 0.32 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.89 2chs h LYS 23 CO 0.00 0.65 0.42 1.15 -1.08 0.00 0.00 179.45 180.60 2chs h THR 24 N 0.30 1.17 0.24 -0.16 2.02 -1.44 -0.80 112.91 114.22 2chs h THR 24 Ca 0.08 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2chs h THR 24 Cb 0.43 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 2chs h THR 24 CO 0.01 0.17 -0.14 0.50 0.37 0.00 0.00 175.52 176.43 2chs h LYS 25 N 0.88 -0.34 -0.92 6.66 3.64 -1.10 -0.53 116.57 124.86 2chs h LYS 25 Ca 0.24 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.74 2chs h LYS 25 Cb -0.09 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 31.73 2chs h LYS 25 CO -0.05 -0.23 0.56 1.96 -2.27 0.00 0.00 179.45 179.42 2chs h GLN 26 N -0.36 0.90 -0.07 1.90 4.20 -0.69 0.59 115.11 121.58 2chs h GLN 26 Ca -0.03 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 2chs h GLN 26 Cb 0.29 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 2chs h GLN 26 CO 0.03 0.60 0.04 1.25 -0.67 0.00 0.00 178.83 180.08 2chs h LEU 27 N 0.93 0.09 -0.75 1.46 5.85 -0.89 -1.70 115.31 120.30 2chs h LEU 27 Ca 0.44 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 59.01 2chs h LEU 27 Cb 0.37 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2chs h LEU 27 CO -0.24 0.14 0.12 -0.07 -0.34 0.00 0.00 178.44 178.06 2chs h LEU 28 N 0.03 1.02 -1.13 2.25 3.38 -0.33 -1.72 115.31 118.81 2chs h LEU 28 Ca 0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 2chs h LEU 28 Cb 0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2chs h LEU 28 CO -0.00 1.00 0.33 -0.33 0.09 0.00 0.00 178.44 179.53 2chs h GLU 29 N 1.01 0.94 -0.36 1.13 5.08 -0.78 -1.81 114.58 119.80 2chs h GLU 29 Ca 0.20 -0.12 -0.16 0.00 -1.00 0.00 0.00 59.36 58.28 2chs h GLU 29 Cb 0.41 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2chs h GLU 29 CO 0.01 0.72 -0.42 -0.22 -1.00 0.00 0.00 179.01 178.10 2chs h LYS 30 N 0.94 0.90 -0.10 2.33 1.63 -0.68 -1.20 116.57 120.39 2chs h LYS 30 Ca 0.23 -0.49 0.01 0.00 -0.85 0.00 0.00 60.65 59.56 2chs h LYS 30 Cb 0.08 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 2chs h LYS 30 CO -0.03 1.14 0.03 0.82 -3.45 0.00 0.00 179.45 177.95 2chs h ILE 31 N 0.73 0.97 -0.17 2.00 2.04 -1.01 -0.21 117.51 121.86 2chs h ILE 31 Ca 0.05 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 2chs h ILE 31 Cb 1.01 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 2chs h ILE 31 CO 0.10 0.01 0.10 0.40 0.00 0.00 0.00 178.15 178.77 2chs h ILE 32 N 0.08 1.07 0.13 -0.67 2.04 -1.28 0.42 117.51 119.29 2chs h ILE 32 Ca 0.04 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.76 2chs h ILE 32 Cb 0.03 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 2chs h ILE 32 CO -0.05 0.06 -0.28 -0.08 0.00 0.00 0.00 178.15 177.80 2chs h GLU 33 N 0.20 -0.48 -0.31 2.37 4.81 -0.96 0.67 114.58 120.87 2chs h GLU 33 Ca 0.06 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2chs h GLU 33 Cb 0.02 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2chs h GLU 33 CO -0.01 -0.32 0.21 0.93 -0.73 0.00 0.00 179.01 179.08 2chs h GLU 34 N -0.50 0.41 -0.01 1.92 4.39 -0.81 -3.18 114.58 116.80 2chs h GLU 34 Ca 0.03 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2chs h GLU 34 Cb 0.52 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2chs h GLU 34 CO -0.16 0.27 -0.04 0.09 -1.16 0.00 0.00 179.01 178.01 2chs n ASN 35 N -4.49 1.62 -3.16 1.42 3.02 0.12 -4.85 115.26 108.94 2chs n ASN 35 Ca 0.02 -1.31 -0.22 0.00 -0.03 0.00 0.00 54.58 53.03 2chs n ASN 35 Cb 0.07 0.11 0.01 0.00 -0.61 0.00 0.00 39.78 39.36 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 0.34 -1.85 -2.16 3.10 8.25 0.23 -4.90 115.22 118.23 2chs n HIS 36 Ca 0.05 0.47 -0.41 0.00 -0.26 0.00 0.00 57.72 57.57 2chs n HIS 36 Cb 0.22 -3.65 -0.03 0.00 1.12 0.00 0.00 29.99 27.66 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 -3.03 2.99 -0.12 1.59 2.01 -1.17 -5.04 115.64 112.87 2chs s THR 37 Ca 0.34 0.86 -0.06 0.00 0.31 0.00 0.00 61.69 63.13 2chs s THR 37 Cb -0.16 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 2chs s THR 37 CO 0.41 0.15 0.09 -0.54 -0.69 0.00 0.00 174.62 174.04 2chs s LYS 38 N -0.55 3.40 0.32 4.92 -0.14 -1.26 -4.96 119.74 121.48 2chs s LYS 38 Ca 0.55 -0.23 0.00 0.00 -1.36 0.00 0.00 55.97 54.93 2chs s LYS 38 Cb -0.38 -3.09 0.52 0.00 -1.68 0.00 0.00 37.83 33.20 2chs s LYS 38 CO 0.42 0.69 1.96 -1.00 -0.76 0.00 0.00 175.35 176.66 2chs h PRO 39 N 5.28 0.93 0.00 -1.68 0.13 -1.96 -2.11 132.00 132.58 2chs h PRO 39 Ca -0.51 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 64.53 2chs h PRO 39 Cb 1.21 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 2chs h PRO 39 CO 0.59 0.65 -0.05 1.05 -0.23 0.00 0.00 178.00 180.01 2chs h GLU 40 N 0.95 0.00 -0.01 0.86 9.09 -1.95 -1.10 114.58 122.41 2chs h GLU 40 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.66 2chs h GLU 40 Cb -0.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.06 2chs h GLU 40 CO -0.05 0.05 -0.05 -0.25 0.05 0.00 0.00 179.01 178.77 2chs n ASP 41 N -3.41 1.44 -4.64 3.06 8.00 -0.79 -4.83 116.55 115.37 2chs n ASP 41 Ca -0.02 -1.39 -0.40 0.00 0.71 0.00 0.00 54.79 53.69 2chs n ASP 41 Cb 0.18 0.03 -0.07 0.00 -0.02 0.00 0.00 41.12 41.24 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 -2.09 5.04 0.07 2.53 1.01 -0.42 -0.33 120.40 126.21 2chs s VAL 42 Ca 0.35 1.05 -0.20 0.00 0.00 0.00 0.00 61.98 63.19 2chs s VAL 42 Cb 0.21 -3.89 -0.11 0.00 0.00 0.00 0.00 36.38 32.59 2chs s VAL 42 CO 0.37 0.10 1.46 0.58 0.00 0.00 0.00 175.10 177.61 2chs h VAL 43 N 5.27 1.28 -1.33 2.92 2.07 -1.36 -3.47 116.25 121.63 2chs h VAL 43 Ca -0.30 -1.00 0.39 0.00 0.82 0.00 0.00 66.70 66.61 2chs h VAL 43 Cb 1.14 1.54 -0.12 0.00 -1.52 0.00 0.00 31.29 32.33 2chs h VAL 43 CO 0.75 0.30 0.98 0.00 0.02 0.00 0.00 177.57 179.63 2chs s GLN 44 N -4.79 0.07 -0.02 1.57 -2.07 -1.24 -4.63 119.66 108.55 2chs s GLN 44 Ca -0.14 -0.04 -0.04 0.00 -1.82 0.00 0.00 55.36 53.32 2chs s GLN 44 Cb 0.06 0.02 0.00 0.00 -1.09 0.00 0.00 33.01 32.01 2chs s GLN 44 CO 0.74 -0.03 0.09 1.41 -1.32 0.00 0.00 175.29 176.18 2chs s MET 45 N -2.05 0.26 -0.08 9.60 1.75 -0.21 -1.47 119.30 127.09 2chs s MET 45 Ca 0.20 -0.15 0.04 0.00 -1.25 0.00 0.00 55.69 54.53 2chs s MET 45 Cb 0.05 0.11 0.00 0.00 2.84 0.00 0.00 34.83 37.83 2chs s MET 45 CO -0.05 -0.05 -0.21 -0.51 -0.65 0.00 0.00 175.02 173.55 2chs s LEU 46 N -0.63 1.97 -0.05 4.11 1.43 -0.27 -2.51 118.68 122.73 2chs s LEU 46 Ca -0.07 -0.48 0.06 0.00 -1.03 0.00 0.00 54.13 52.61 2chs s LEU 46 Cb -0.04 -1.23 -0.01 0.00 0.03 0.00 0.00 46.19 44.93 2chs s LEU 46 CO 0.00 0.14 -0.23 -0.76 0.23 0.00 0.00 176.35 175.73 2chs s LEU 47 N 0.31 2.04 0.13 1.79 1.43 -0.62 -1.10 118.68 122.66 2chs s LEU 47 Ca -0.14 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 52.56 2chs s LEU 47 Cb -0.16 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 2chs s LEU 47 CO 0.06 0.24 -0.17 -0.94 0.23 0.00 0.00 176.35 175.78 2chs s SER 48 N -0.23 2.33 0.03 2.29 1.04 0.13 -1.11 113.70 118.18 2chs s SER 48 Ca -0.00 -0.81 0.02 0.00 0.48 0.00 0.00 55.95 55.64 2chs s SER 48 Cb -0.12 -0.11 -0.02 0.00 0.10 0.00 0.00 66.02 65.87 2chs s SER 48 CO 0.02 -0.07 -0.08 0.00 0.98 0.00 0.00 173.24 174.09 2chs s ALA 49 N -1.93 0.61 0.68 5.32 0.00 -0.96 -1.41 121.76 124.07 2chs s ALA 49 Ca 0.11 -0.60 -0.14 0.00 0.00 0.00 0.00 51.96 51.32 2chs s ALA 49 Cb -0.06 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.03 2chs s ALA 49 CO 0.05 0.05 1.11 0.95 0.00 0.00 0.00 175.76 177.92 2chs s THR 50 N -0.91 3.19 -2.00 0.00 -4.23 -0.98 -1.52 115.64 109.20 2chs s THR 50 Ca -0.05 0.53 0.06 0.00 -1.18 0.00 0.00 61.69 61.06 2chs s THR 50 Cb -0.07 -3.04 0.18 0.00 1.34 0.00 0.00 72.50 70.91 2chs s THR 50 CO 0.00 -0.37 0.79 -2.65 -0.54 0.00 0.00 174.62 171.85 2chs n PRO 51 N -2.61 0.27 -0.14 3.99 -0.02 -1.26 -2.25 135.00 132.99 2chs n PRO 51 Ca 0.10 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.70 2chs n PRO 51 Cb 0.52 -1.37 0.18 0.00 -0.02 0.00 0.00 33.50 32.82 2chs n PRO 51 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2chs n ASP 52 N -0.87 3.36 -4.33 2.55 5.68 -1.26 -4.84 116.55 116.84 2chs n ASP 52 Ca 0.05 -1.99 -0.34 0.00 -0.50 0.00 0.00 54.79 52.01 2chs n ASP 52 Cb 0.02 -0.19 -0.14 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 -1.61 2.75 0.00 -2.12 1.43 -0.95 -4.88 118.68 113.30 2chs s LEU 53 Ca 0.36 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 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 0.08 0.01 1.41 0.23 0.00 0.00 176.35 178.39 2chs n HIS 54 N 4.11 0.00 0.14 0.29 8.25 -1.26 -4.92 115.22 121.83 2chs n HIS 54 Ca -0.18 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.26 2chs n HIS 54 Cb 0.52 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.81 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 1.01 -1.96 -1.41 0.00 -1.91 -3.46 119.26 111.53 2chs h ALA 55 Ca 0.00 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 2chs h ALA 55 Cb 0.05 -0.09 -0.20 0.00 0.00 0.00 0.00 17.79 17.55 2chs h ALA 55 CO 0.00 0.74 0.22 0.54 0.00 0.00 0.00 179.25 180.75 2chs s VAL 56 N -3.68 0.00 0.09 0.00 0.11 -1.26 -4.70 120.40 110.96 2chs s VAL 56 Ca -0.02 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.72 2chs s VAL 56 Cb 0.13 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.91 2chs s VAL 56 CO 0.76 0.00 1.37 -0.36 -3.33 0.00 0.00 175.10 173.54 2chs s PHE 57 N -0.98 3.21 0.56 1.54 0.08 -1.26 -4.89 117.98 116.23 2chs s PHE 57 Ca -0.09 0.98 0.30 0.00 0.12 0.00 0.00 56.93 58.24 2chs s PHE 57 Cb -0.01 -3.64 1.78 0.00 -0.57 0.00 0.00 43.02 40.58 2chs s PHE 57 CO 0.08 -2.25 2.23 -1.35 -0.10 0.00 0.00 175.22 173.83 2chs h PRO 58 N 6.97 0.00 -0.29 0.24 0.11 -1.96 -2.22 132.00 134.85 2chs h PRO 58 Ca -0.41 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.78 2chs h PRO 58 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2chs h PRO 58 CO 0.86 0.02 0.32 0.00 -0.21 0.00 0.00 178.00 179.00 2chs h ALA 59 N 1.98 1.94 0.00 -0.75 0.00 -1.95 -1.47 119.26 119.01 2chs h ALA 59 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2chs h ALA 59 Cb 0.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2chs h ALA 59 CO 0.00 -0.47 0.00 -0.22 0.00 0.00 0.00 179.25 178.56 2chs h LYS 60 N 0.00 0.00 0.00 0.00 3.64 -1.79 -1.95 116.57 116.46 2chs h LYS 60 Ca 0.14 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 2chs h LYS 60 Cb 0.78 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 2chs h LYS 60 CO -0.00 0.00 -0.25 0.00 -2.27 0.00 0.00 179.45 176.93 2chs h ALA 61 N 2.16 1.14 0.00 5.00 0.00 -1.50 -3.08 119.26 122.99 2chs h ALA 61 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2chs h ALA 61 Cb 0.29 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2chs h ALA 61 CO 0.00 0.31 -0.11 0.28 0.00 0.00 0.00 179.25 179.73 2chs h VAL 62 N 0.00 0.39 0.00 0.00 2.07 -1.56 -0.47 116.25 116.68 2chs h VAL 62 Ca -0.00 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 2chs h VAL 62 Cb 0.64 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2chs h VAL 62 CO 0.03 0.11 -0.06 0.03 0.02 0.00 0.00 177.57 177.70 2chs h ARG 63 N 0.00 0.00 -0.76 1.57 3.08 -1.71 -1.73 114.38 114.83 2chs h ARG 63 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2chs h ARG 63 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2chs h ARG 63 CO 0.01 0.06 0.00 -1.91 -1.07 0.00 0.00 179.97 177.07 2chs n GLU 64 N -4.13 2.96 -3.98 0.04 2.13 -0.18 -4.66 120.64 112.81 2chs n GLU 64 Ca -0.03 -1.62 -0.33 0.00 0.66 0.00 0.00 57.16 55.84 2chs n GLU 64 Cb 0.15 -1.86 -0.14 0.00 0.27 0.00 0.00 31.44 29.85 2chs n GLU 64 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2chs s LEU 65 N -1.41 3.96 -0.14 4.31 1.43 -0.65 -5.08 118.68 121.11 2chs s LEU 65 Ca 0.28 -1.53 -0.33 0.00 -1.03 0.00 0.00 54.13 51.52 2chs s LEU 65 Cb 0.21 -1.64 -0.11 0.00 0.03 0.00 0.00 46.19 44.69 2chs s LEU 65 CO 0.09 -0.27 1.99 -1.20 0.23 0.00 0.00 176.35 177.18 2chs n SER 66 N 4.48 3.28 0.00 2.29 7.64 -1.26 -2.02 113.62 128.03 2chs n SER 66 Ca -0.10 0.77 0.00 0.00 1.01 0.00 0.00 58.87 60.56 2chs n SER 66 Cb 0.42 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 2chs n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2chs n GLY 67 N 4.93 2.72 1.16 0.23 0.00 -1.26 -4.92 105.19 108.05 2chs n GLY 67 Ca 0.26 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.89 1.02 0.30 1.61 7.02 -0.86 -4.28 117.44 121.36 2chs n TRP 68 Ca 0.00 -0.38 0.17 0.00 -1.02 0.00 0.00 57.50 56.27 2chs n TRP 68 Cb 0.00 -0.23 0.74 0.00 -2.42 0.00 0.00 31.31 29.40 2chs n TRP 68 CO 0.00 0.00 0.00 -0.56 -2.02 0.00 0.00 177.69 175.11 2chs h GLN 69 N 2.45 0.00 -0.46 -0.99 -0.00 -1.86 -3.03 115.11 111.23 2chs h GLN 69 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2chs h GLN 69 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.60 2chs h GLN 69 CO 0.20 0.00 0.00 0.66 -0.00 0.00 0.00 178.83 179.69 2chs n TYR 70 N -2.92 0.60 -2.84 0.06 4.01 -1.26 -4.94 117.16 109.87 2chs n TYR 70 Ca 0.00 -0.42 -0.42 0.00 -0.16 0.00 0.00 57.90 56.90 2chs n TYR 70 Cb 0.24 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.22 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 -1.07 4.81 0.02 -0.72 1.01 -1.15 -5.01 120.40 118.30 2chs s VAL 71 Ca 0.33 1.69 -0.30 0.00 0.00 0.00 0.00 61.98 63.70 2chs s VAL 71 Cb 0.18 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 2chs s VAL 71 CO 0.24 -0.07 1.28 -2.16 0.00 0.00 0.00 175.10 174.39 2chs s PRO 72 N 2.73 4.36 0.02 2.72 0.04 -1.26 -4.94 135.00 138.67 2chs s PRO 72 Ca 0.38 1.83 0.05 0.00 0.04 0.00 0.00 61.00 63.30 2chs s PRO 72 Cb -0.16 -3.46 -0.02 0.00 0.04 0.00 0.00 34.50 30.91 2chs s PRO 72 CO 0.08 -0.42 -0.15 0.14 0.04 0.00 0.00 177.00 176.70 2chs s VAL 73 N 1.76 1.17 0.05 -0.36 -7.23 -1.26 -1.05 120.40 113.48 2chs s VAL 73 Ca 0.60 -0.88 -0.03 0.00 -1.81 0.00 0.00 61.98 59.86 2chs s VAL 73 Cb -0.29 -1.03 -0.03 0.00 0.56 0.00 0.00 36.38 35.59 2chs s VAL 73 CO 0.27 0.14 0.03 0.28 -0.31 0.00 0.00 175.10 175.50 2chs s THR 74 N -0.66 0.18 0.26 5.32 -1.32 -1.04 -4.98 115.64 113.39 2chs s THR 74 Ca 0.04 -1.45 0.09 0.00 -1.21 0.00 0.00 61.69 59.16 2chs s THR 74 Cb -0.07 -1.20 -0.04 0.00 -1.51 0.00 0.00 72.50 69.68 2chs s THR 74 CO 0.01 -0.80 -0.01 0.00 -2.21 0.00 0.00 174.62 171.61 2chs s MET 76 N -3.60 1.69 -0.16 0.00 0.23 -0.27 -4.90 119.30 112.28 2chs s MET 76 Ca 0.31 -1.19 -0.13 0.00 -1.03 0.00 0.00 55.69 53.65 2chs s MET 76 Cb -0.07 0.53 -0.05 0.00 -1.53 0.00 0.00 34.83 33.72 2chs s MET 76 CO 0.20 -0.74 0.27 -1.14 -2.03 0.00 0.00 175.02 171.58 2chs s GLN 77 N -3.85 4.23 0.44 3.16 0.74 -1.26 -2.26 119.66 120.86 2chs s GLN 77 Ca 0.18 0.05 -0.22 0.00 0.05 0.00 0.00 55.36 55.42 2chs s GLN 77 Cb -0.03 -3.42 -0.09 0.00 1.10 0.00 0.00 33.01 30.57 2chs s GLN 77 CO 0.09 0.26 1.03 -2.00 -0.55 0.00 0.00 175.29 174.12 2chs s GLU 78 N 0.42 4.02 0.49 1.67 2.56 -0.57 -4.89 118.70 122.41 2chs s GLU 78 Ca 0.15 1.40 -0.22 0.00 0.00 0.00 0.00 54.97 56.31 2chs s GLU 78 Cb -0.13 -2.32 -0.07 0.00 2.00 0.00 0.00 34.13 33.62 2chs s GLU 78 CO 0.03 -0.25 1.16 0.00 -0.56 0.00 0.00 175.26 175.65 2chs s MET 79 N -2.87 3.59 -0.68 4.30 0.23 -1.26 -4.55 119.30 118.06 2chs s MET 79 Ca 0.62 1.75 -0.24 0.00 -1.03 0.00 0.00 55.69 56.79 2chs s MET 79 Cb -0.18 -2.26 0.06 0.00 -1.53 0.00 0.00 34.83 30.92 2chs s MET 79 CO 0.23 -0.69 1.04 0.34 -2.03 0.00 0.00 175.02 173.91 2chs s ASP 80 N -1.48 6.17 0.07 -1.18 2.15 -1.26 -4.92 116.67 116.23 2chs s ASP 80 Ca 0.67 -0.87 -0.13 0.00 0.43 0.00 0.00 52.55 52.65 2chs s ASP 80 Cb -0.28 -2.45 -0.06 0.00 -0.30 0.00 0.00 42.92 39.83 2chs s ASP 80 CO 0.33 -1.54 0.46 -0.69 -0.17 0.00 0.00 175.17 173.56 2chs s VAL 81 N 4.46 4.98 -0.08 1.11 1.01 -1.26 -5.03 120.40 125.58 2chs s VAL 81 Ca 0.25 0.73 -0.30 0.00 0.00 0.00 0.00 61.98 62.66 2chs s VAL 81 Cb -0.15 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 2chs s VAL 81 CO 0.11 0.38 1.21 -0.89 0.00 0.00 0.00 175.10 175.91 2chs s THR 82 N -1.30 4.28 0.00 3.92 2.01 -1.26 -1.92 115.64 121.37 2chs s THR 82 Ca 0.31 1.59 0.00 0.00 0.31 0.00 0.00 61.69 63.90 2chs s THR 82 Cb -0.15 -4.02 0.00 0.00 0.01 0.00 0.00 72.50 68.33 2chs s THR 82 CO 0.17 -0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.68 2chs n GLY 83 N 3.40 1.55 3.75 4.40 0.00 -1.26 -5.03 105.19 112.00 2chs n GLY 83 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 2chs n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2chs s GLY 84 N -1.87 2.12 0.27 -0.02 0.00 -0.81 -4.94 107.32 102.07 2chs s GLY 84 Ca 0.00 0.60 -0.30 0.00 0.00 0.00 0.00 44.72 45.02 2chs s GLY 84 CO 0.00 0.97 1.46 -2.27 0.00 0.00 0.00 173.10 173.25 2chs s LEU 85 N -5.16 4.38 0.31 0.66 2.96 -1.26 -4.95 118.68 115.61 2chs s LEU 85 Ca 0.68 2.74 -0.04 0.00 -0.22 0.00 0.00 54.13 57.29 2chs s LEU 85 Cb -0.22 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 42.79 2chs s LEU 85 CO 0.45 -0.73 0.57 -0.54 -1.32 0.00 0.00 176.35 174.77 2chs s LYS 86 N -0.62 3.61 -1.47 1.98 -0.14 -1.26 -4.45 119.74 117.39 2chs s LYS 86 Ca 0.59 -0.02 -0.09 0.00 -1.36 0.00 0.00 55.97 55.09 2chs s LYS 86 Cb -0.43 -2.63 0.06 0.00 -1.68 0.00 0.00 37.83 33.15 2chs s LYS 86 CO 0.46 0.18 0.83 1.63 -0.76 0.00 0.00 175.35 177.69 2chs n LYS 87 N -1.10 -4.93 -4.26 1.68 5.02 -1.26 -4.78 118.16 108.53 2chs n LYS 87 Ca -0.02 0.56 -0.34 0.00 -2.02 0.00 0.00 58.31 56.49 2chs n LYS 87 Cb 0.54 -5.27 -0.11 0.00 -0.02 0.00 0.00 35.03 30.17 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 0.18 3.62 0.16 0.00 1.01 -0.43 -2.32 121.20 123.42 2chs s ILE 89 Ca 0.01 -0.42 0.09 0.00 0.00 0.00 0.00 60.65 60.33 2chs s ILE 89 Cb -0.13 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 2chs s ILE 89 CO 0.02 0.44 -0.16 -0.13 0.00 0.00 0.00 174.94 175.11 2chs s ARG 90 N 1.11 1.85 0.03 2.79 0.52 -0.50 -1.16 118.95 123.59 2chs s ARG 90 Ca 0.02 -1.28 0.04 0.00 -0.52 0.00 0.00 55.73 53.99 2chs s ARG 90 Cb -0.15 -2.09 -0.02 0.00 0.52 0.00 0.00 34.95 33.22 2chs s ARG 90 CO 0.00 0.45 -0.12 0.54 0.02 0.00 0.00 175.30 176.19 2chs s VAL 91 N -1.47 0.98 -0.30 3.52 0.11 -0.76 -0.69 120.40 121.78 2chs s VAL 91 Ca 0.21 -0.87 0.01 0.00 -2.93 0.00 0.00 61.98 58.41 2chs s VAL 91 Cb -0.09 -0.88 0.09 0.00 -1.53 0.00 0.00 36.38 33.96 2chs s VAL 91 CO 0.12 0.02 0.04 -0.32 -3.33 0.00 0.00 175.10 171.64 2chs s MET 92 N -0.96 1.24 -0.25 1.54 1.75 -0.26 -2.09 119.30 120.26 2chs s MET 92 Ca 0.01 -1.38 -0.12 0.00 -1.25 0.00 0.00 55.69 52.95 2chs s MET 92 Cb -0.07 -2.62 -0.05 0.00 2.84 0.00 0.00 34.83 34.93 2chs s MET 92 CO 0.01 -0.88 0.24 1.41 -0.65 0.00 0.00 175.02 175.15 2chs s MET 93 N 1.28 4.04 -0.26 4.11 1.75 -0.55 -1.12 119.30 128.56 2chs s MET 93 Ca 0.07 -0.16 -0.16 0.00 -1.25 0.00 0.00 55.69 54.18 2chs s MET 93 Cb -0.18 -3.59 -0.03 0.00 2.84 0.00 0.00 34.83 33.86 2chs s MET 93 CO -0.14 -0.08 0.42 0.99 -0.65 0.00 0.00 175.02 175.57 2chs s THR 94 N 1.46 5.14 0.15 10.11 2.01 -0.54 -0.51 115.64 133.45 2chs s THR 94 Ca 0.10 0.69 0.09 0.00 0.31 0.00 0.00 61.69 62.88 2chs s THR 94 Cb -0.15 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 2chs s THR 94 CO 0.08 0.14 -0.20 0.68 -0.69 0.00 0.00 174.62 174.63 2chs s VAL 95 N 2.11 1.86 -0.14 3.82 -7.23 -0.43 -0.98 120.40 119.41 2chs s VAL 95 Ca 0.17 -1.82 -0.26 0.00 -1.81 0.00 0.00 61.98 58.27 2chs s VAL 95 Cb -0.16 -1.80 -0.02 0.00 0.56 0.00 0.00 36.38 34.97 2chs s VAL 95 CO 0.10 -0.21 0.83 -1.58 -0.31 0.00 0.00 175.10 173.92 2chs s GLN 96 N -2.51 4.35 0.06 4.82 0.74 0.55 -1.23 119.66 126.43 2chs s GLN 96 Ca 0.14 1.05 -0.21 0.00 0.05 0.00 0.00 55.36 56.38 2chs s GLN 96 Cb -0.07 -3.54 0.05 0.00 1.10 0.00 0.00 33.01 30.54 2chs s GLN 96 CO 0.06 -0.24 0.48 -0.08 -0.55 0.00 0.00 175.29 174.96 2chs s THR 97 N 1.84 0.04 -0.52 -0.34 -1.32 -0.46 -4.92 115.64 109.96 2chs s THR 97 Ca 0.40 -0.33 0.13 0.00 -1.21 0.00 0.00 61.69 60.69 2chs s THR 97 Cb -0.17 -0.99 -0.16 0.00 -1.51 0.00 0.00 72.50 69.67 2chs s THR 97 CO 0.15 -0.18 0.52 -0.67 -2.21 0.00 0.00 174.62 172.23 2chs n ASP 98 N 0.34 0.86 -4.72 8.08 2.03 -1.26 -1.42 116.55 120.45 2chs n ASP 98 Ca -0.18 -0.67 -0.42 0.00 0.52 0.00 0.00 54.79 54.05 2chs n ASP 98 Cb 0.61 1.12 -0.03 0.00 -0.72 0.00 0.00 41.12 42.10 2chs n ASP 98 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2chs s VAL 99 N -2.40 2.99 0.53 5.18 1.01 -1.26 -4.95 120.40 121.50 2chs s VAL 99 Ca 0.03 0.72 -0.21 0.00 0.00 0.00 0.00 61.98 62.52 2chs s VAL 99 Cb 0.10 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 2chs s VAL 99 CO 0.56 0.06 1.24 -2.16 0.00 0.00 0.00 175.10 174.80 2chs s PRO 100 N 0.98 3.28 0.34 2.72 0.04 -1.26 -4.89 135.00 136.21 2chs s PRO 100 Ca 0.66 1.94 0.12 0.00 0.04 0.00 0.00 61.00 63.76 2chs s PRO 100 Cb -0.40 -2.19 1.06 0.00 0.04 0.00 0.00 34.50 33.01 2chs s PRO 100 CO 0.32 -0.99 1.59 0.37 0.04 0.00 0.00 177.00 178.34 2chs h GLN 101 N 1.45 0.06 -0.31 4.56 4.15 -1.99 0.47 115.11 123.50 2chs h GLN 101 Ca -0.50 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.91 2chs h GLN 101 Cb 1.28 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.96 2chs h GLN 101 CO 0.57 0.04 0.00 -0.40 -1.93 0.00 0.00 178.83 177.11 2chs n ASP 102 N -5.31 0.90 -0.01 -0.69 5.75 -1.26 -3.03 116.55 112.90 2chs n ASP 102 Ca 0.31 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 53.05 2chs n ASP 102 Cb 1.02 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.92 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 -0.09 1.70 -2.60 0.11 6.02 0.15 -5.03 117.38 117.64 2chs n GLN 103 Ca 0.04 -1.13 -0.41 0.00 -0.01 0.00 0.00 57.00 55.49 2chs n GLN 103 Cb 0.17 -0.81 -0.04 0.00 1.02 0.00 0.00 30.24 30.58 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 -0.64 3.97 -0.65 5.09 -1.09 -1.17 -4.94 121.20 121.77 2chs s ILE 104 Ca 0.01 1.78 -0.15 0.00 -2.23 0.00 0.00 60.65 60.06 2chs s ILE 104 Cb 0.01 -4.13 0.16 0.00 -1.58 0.00 0.00 42.46 36.92 2chs s ILE 104 CO 0.00 0.34 0.60 -0.13 -1.23 0.00 0.00 174.94 174.52 2chs s ARG 105 N -0.62 3.22 0.11 2.79 1.81 -1.26 -5.04 118.95 119.95 2chs s ARG 105 Ca 0.46 -2.01 -0.28 0.00 -1.72 0.00 0.00 55.73 52.19 2chs s ARG 105 Cb -0.28 -4.34 -0.06 0.00 -0.45 0.00 0.00 34.95 29.82 2chs s ARG 105 CO 0.34 -1.31 0.88 -1.01 -0.68 0.00 0.00 175.30 173.52 2chs s HIS 106 N 1.03 3.82 -0.16 -0.53 3.76 -1.26 -4.81 115.29 117.13 2chs s HIS 106 Ca 0.09 1.70 -0.03 0.00 -0.15 0.00 0.00 55.06 56.67 2chs s HIS 106 Cb -0.22 -2.95 -0.02 0.00 1.11 0.00 0.00 32.58 30.50 2chs s HIS 106 CO -0.02 0.29 -0.06 0.08 -0.85 0.00 0.00 174.74 174.18 2chs s VAL 107 N -0.27 3.53 -0.18 -0.90 1.01 -0.62 -4.97 120.40 118.00 2chs s VAL 107 Ca 0.43 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.94 2chs s VAL 107 Cb -0.23 -2.55 0.03 0.00 0.00 0.00 0.00 36.38 33.64 2chs s VAL 107 CO 0.28 0.48 -0.15 -0.31 0.00 0.00 0.00 175.10 175.40 2chs s TYR 108 N 0.63 2.52 0.35 5.22 2.02 -1.26 -1.71 117.35 125.12 2chs s TYR 108 Ca -0.04 -1.55 0.07 0.00 -0.37 0.00 0.00 57.07 55.18 2chs s TYR 108 Cb -0.15 -1.74 -0.07 0.00 -0.40 0.00 0.00 41.96 39.61 2chs s TYR 108 CO 0.03 -0.75 -0.02 -0.51 -1.57 0.00 0.00 175.55 172.73 2chs s LEU 109 N 1.37 2.61 0.00 -1.29 1.43 -0.22 -4.44 118.68 118.13 2chs s LEU 109 Ca 0.02 -1.29 0.00 0.00 -1.03 0.00 0.00 54.13 51.83 2chs s LEU 109 Cb -0.14 -0.75 0.00 0.00 0.03 0.00 0.00 46.19 45.33 2chs s LEU 109 CO -0.10 -0.41 0.00 -0.62 0.23 0.00 0.00 176.35 175.45 2chs n GLU 110 N -0.78 0.00 0.24 1.70 -0.58 -1.26 -1.61 120.64 118.34 2chs n GLU 110 Ca -0.04 0.00 0.15 0.00 -0.42 0.00 0.00 57.16 56.84 2chs n GLU 110 Cb 0.65 0.00 0.45 0.00 -0.57 0.00 0.00 31.44 31.97 2chs n GLU 110 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2chs h LYS 111 N 0.00 0.00 0.00 3.49 1.57 -1.93 -2.91 116.57 116.79 2chs h LYS 111 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2chs h LYS 111 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2chs h LYS 111 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 2chs n ALA 112 N -2.06 1.88 0.22 3.86 0.00 -0.63 -1.98 120.51 121.79 2chs n ALA 112 Ca 0.02 -0.07 0.18 0.00 0.00 0.00 0.00 53.44 53.57 2chs n ALA 112 Cb 0.40 -1.21 0.85 0.00 0.00 0.00 0.00 19.45 19.49 2chs n ALA 112 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2chs h VAL 113 N 0.00 0.31 0.00 0.00 -1.51 -1.59 -0.24 116.25 113.22 2chs h VAL 113 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2chs h VAL 113 Cb 0.05 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 29.99 2chs h VAL 113 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 177.57 176.86 2chs n VAL 114 N -3.54 1.24 0.86 7.19 0.31 -0.84 -5.04 118.33 118.52 2chs n VAL 114 Ca 0.02 0.31 0.10 0.00 -0.01 0.00 0.00 64.34 64.76 2chs n VAL 114 Cb 0.38 -1.23 0.09 0.00 -0.91 0.00 0.00 33.84 32.16 2chs n VAL 114 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69