#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 1.02 0.11 1.12 -4.36 -1.26 -1.79 121.20 116.05 2chs s ILE 3 Ca 0.00 -0.51 0.04 0.00 -0.26 0.00 0.00 60.65 59.92 2chs s ILE 3 Cb 0.00 -0.88 -0.04 0.00 1.25 0.00 0.00 42.46 42.79 2chs s ILE 3 CO 0.00 0.30 -0.10 -0.13 0.24 0.00 0.00 174.94 175.25 2chs s ARG 4 N -0.03 0.93 -0.03 0.37 0.52 0.06 -4.93 118.95 115.84 2chs s ARG 4 Ca -0.00 -1.27 -0.14 0.00 -0.52 0.00 0.00 55.73 53.81 2chs s ARG 4 Cb -0.08 -0.58 -0.05 0.00 0.52 0.00 0.00 34.95 34.76 2chs s ARG 4 CO 0.00 0.08 0.36 0.20 0.02 0.00 0.00 175.30 175.97 2chs s GLY 5 N -2.71 2.41 -0.18 -3.53 0.00 -1.26 -1.10 107.32 100.95 2chs s GLY 5 Ca 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 44.72 44.52 2chs s GLY 5 CO 0.00 0.10 -0.16 -0.42 0.00 0.00 0.00 173.10 172.62 2chs s ILE 6 N -0.92 2.42 0.18 0.90 1.01 1.00 -4.94 121.20 120.85 2chs s ILE 6 Ca 0.22 -0.83 -0.10 0.00 0.00 0.00 0.00 60.65 59.94 2chs s ILE 6 Cb -0.16 -2.03 -0.07 0.00 0.01 0.00 0.00 42.46 40.21 2chs s ILE 6 CO 0.11 0.51 0.50 -0.13 0.00 0.00 0.00 174.94 175.94 2chs s ARG 7 N 1.22 3.81 0.15 2.79 1.81 -1.26 -0.39 118.95 127.09 2chs s ARG 7 Ca 0.03 0.25 -0.16 0.00 -1.72 0.00 0.00 55.73 54.13 2chs s ARG 7 Cb -0.14 -2.78 0.03 0.00 -0.45 0.00 0.00 34.95 31.61 2chs s ARG 7 CO -0.08 0.40 0.44 0.20 -0.68 0.00 0.00 175.30 175.59 2chs s GLY 8 N -2.16 -0.17 -0.06 -3.53 0.00 -0.75 -2.22 107.32 98.43 2chs s GLY 8 Ca 0.43 -0.14 -0.22 0.00 0.00 0.00 0.00 44.72 44.79 2chs s GLY 8 CO 0.21 -0.31 0.49 0.00 0.00 0.00 0.00 173.10 173.48 2chs s ALA 9 N -3.84 -1.24 0.31 3.20 0.00 0.26 -0.23 121.76 120.22 2chs s ALA 9 Ca 0.06 0.89 -0.01 0.00 0.00 0.00 0.00 51.96 52.89 2chs s ALA 9 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 2chs s ALA 9 CO -0.08 -0.30 0.38 -0.08 0.00 0.00 0.00 175.76 175.68 2chs s THR 10 N -1.03 0.00 0.13 0.00 -1.32 -0.38 -0.72 115.64 112.32 2chs s THR 10 Ca -0.10 -1.72 0.04 0.00 -1.21 0.00 0.00 61.69 58.70 2chs s THR 10 Cb -0.03 -2.54 -0.04 0.00 -1.51 0.00 0.00 72.50 68.38 2chs s THR 10 CO 0.06 0.00 -0.11 0.42 -2.21 0.00 0.00 174.62 172.78 2chs s THR 11 N -3.43 1.13 0.14 5.08 -4.23 -1.26 -1.56 115.64 111.51 2chs s THR 11 Ca 0.33 -1.89 0.08 0.00 -1.18 0.00 0.00 61.69 59.03 2chs s THR 11 Cb 0.01 -1.66 -0.04 0.00 1.34 0.00 0.00 72.50 72.15 2chs s THR 11 CO 0.19 -0.64 -0.10 0.68 -0.54 0.00 0.00 174.62 174.21 2chs s VAL 12 N -2.89 3.27 0.01 2.29 -7.23 -0.41 -4.85 120.40 110.59 2chs s VAL 12 Ca 0.12 -1.45 0.10 0.00 -1.81 0.00 0.00 61.98 58.94 2chs s VAL 12 Cb -0.00 -2.57 -0.13 0.00 0.56 0.00 0.00 36.38 34.24 2chs s VAL 12 CO 0.01 0.01 1.23 -0.33 -0.31 0.00 0.00 175.10 175.71 2chs h GLU 13 N 3.30 0.00 -3.71 4.82 5.08 -1.93 -3.46 114.58 118.68 2chs h GLU 13 Ca -0.48 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.70 2chs h GLU 13 Cb 1.18 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.21 2chs h GLU 13 CO 0.53 0.77 -0.62 1.03 -1.00 0.00 0.00 179.01 179.72 2chs s ARG 14 N -2.78 0.29 -1.20 2.33 0.52 -1.26 -5.06 118.95 111.80 2chs s ARG 14 Ca 0.01 -0.33 -0.20 0.00 -0.52 0.00 0.00 55.73 54.69 2chs s ARG 14 Cb 0.09 0.12 0.06 0.00 0.52 0.00 0.00 34.95 35.74 2chs s ARG 14 CO 0.80 -0.06 1.64 0.34 0.02 0.00 0.00 175.30 178.04 2chs s ASP 15 N -0.98 6.69 -0.01 0.23 2.15 -1.26 -4.64 116.67 118.84 2chs s ASP 15 Ca -0.11 -2.07 0.02 0.00 0.43 0.00 0.00 52.55 50.82 2chs s ASP 15 Cb -0.06 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 2chs s ASP 15 CO 0.00 -1.32 -0.06 -0.89 -0.17 0.00 0.00 175.17 172.73 2chs s THR 16 N 4.62 0.53 0.28 1.71 2.01 -1.26 -4.71 115.64 118.81 2chs s THR 16 Ca 0.51 -0.24 0.02 0.00 0.31 0.00 0.00 61.69 62.30 2chs s THR 16 Cb 0.02 -0.47 0.27 0.00 0.01 0.00 0.00 72.50 72.33 2chs s THR 16 CO 0.02 0.17 1.73 -0.08 -0.69 0.00 0.00 174.62 175.77 2chs h GLU 17 N 6.29 0.52 -0.22 4.92 4.81 -1.89 0.15 114.58 129.16 2chs h GLU 17 Ca -0.32 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 58.79 2chs h GLU 17 Cb 1.18 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 2chs h GLU 17 CO 0.49 0.34 -0.27 1.49 -0.73 0.00 0.00 179.01 180.33 2chs h GLU 18 N 0.54 0.42 0.09 1.92 4.81 -1.96 -0.56 114.58 119.84 2chs h GLU 18 Ca 0.53 -0.16 -0.29 0.00 -0.13 0.00 0.00 59.36 59.31 2chs h GLU 18 Cb 0.89 -0.02 0.02 0.00 0.63 0.00 0.00 28.75 30.27 2chs h GLU 18 CO -0.44 0.66 -1.19 1.49 -0.73 0.00 0.00 179.01 178.80 2chs h GLU 19 N 0.37 0.61 0.01 1.92 4.57 -1.42 -2.80 114.58 117.84 2chs h GLU 19 Ca 0.05 -0.77 -0.00 0.00 -1.18 0.00 0.00 59.36 57.46 2chs h GLU 19 Cb 0.68 0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.52 2chs h GLU 19 CO 0.05 1.34 -0.01 0.82 -1.18 0.00 0.00 179.01 180.04 2chs h ILE 20 N 0.29 1.36 -0.54 2.32 2.04 -0.60 -1.60 117.51 120.78 2chs h ILE 20 Ca -0.17 -1.14 -0.03 0.00 1.00 0.00 0.00 64.86 64.52 2chs h ILE 20 Cb 1.86 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 40.05 2chs h ILE 20 CO 0.23 0.29 0.23 -0.07 0.00 0.00 0.00 178.15 178.83 2chs h LEU 21 N -0.51 0.73 -0.14 1.44 3.38 -1.21 -1.95 115.31 117.05 2chs h LEU 21 Ca -0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2chs h LEU 21 Cb 0.49 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2chs h LEU 21 CO 0.00 0.68 0.03 -0.61 0.09 0.00 0.00 178.44 178.64 2chs h GLN 22 N 0.73 0.23 -0.10 1.13 4.15 -1.54 1.00 115.11 120.70 2chs h GLN 22 Ca 0.18 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 59.41 2chs h GLN 22 Cb 0.17 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 2chs h GLN 22 CO -0.02 0.40 -0.54 0.87 -1.93 0.00 0.00 178.83 177.61 2chs h LYS 23 N 0.02 0.29 -0.02 1.69 1.79 -1.24 -1.44 116.57 117.65 2chs h LYS 23 Ca 0.04 -0.18 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 2chs h LYS 23 Cb 0.27 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2chs h LYS 23 CO 0.00 0.75 -0.01 1.15 -1.08 0.00 0.00 179.45 180.27 2chs h THR 24 N 0.22 1.30 -0.60 -0.16 2.02 -1.34 -2.02 112.91 112.34 2chs h THR 24 Ca 0.00 -0.91 0.05 0.00 0.77 0.00 0.00 66.41 66.33 2chs h THR 24 Cb 1.02 1.86 -0.05 0.00 -1.74 0.00 0.00 68.15 69.25 2chs h THR 24 CO 0.09 0.24 0.33 0.50 0.37 0.00 0.00 175.52 177.04 2chs h LYS 25 N -0.32 0.60 -0.48 6.66 3.64 -0.57 0.50 116.57 126.60 2chs h LYS 25 Ca 0.01 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2chs h LYS 25 Cb 0.39 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2chs h LYS 25 CO 0.00 0.40 0.20 1.96 -2.27 0.00 0.00 179.45 179.74 2chs h GLN 26 N 0.62 0.68 -0.19 1.90 4.20 -1.27 0.65 115.11 121.69 2chs h GLN 26 Ca 0.26 -0.09 -0.15 0.00 0.06 0.00 0.00 58.65 58.74 2chs h GLN 26 Cb 0.14 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2chs h GLN 26 CO -0.16 0.55 -0.46 1.25 -0.67 0.00 0.00 178.83 179.34 2chs h LEU 27 N 0.67 0.73 -0.74 1.46 5.85 -0.21 -2.47 115.31 120.59 2chs h LEU 27 Ca 0.17 -0.57 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 2chs h LEU 27 Cb 0.12 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2chs h LEU 27 CO -0.02 1.17 0.33 -0.07 -0.34 0.00 0.00 178.44 179.51 2chs h LEU 28 N 0.32 0.99 -0.87 2.25 3.38 -0.49 -0.86 115.31 120.03 2chs h LEU 28 Ca -0.00 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2chs h LEU 28 Cb 1.07 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 2chs h LEU 28 CO 0.10 0.87 0.36 -0.33 0.09 0.00 0.00 178.44 179.53 2chs h GLU 29 N 1.05 1.18 -0.12 1.13 5.08 -0.89 -0.16 114.58 121.86 2chs h GLU 29 Ca 0.25 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2chs h GLU 29 Cb 0.16 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 2chs h GLU 29 CO -0.03 0.93 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.64 2chs h LYS 30 N 1.16 0.24 -0.20 2.33 1.63 -0.93 -1.21 116.57 119.58 2chs h LYS 30 Ca 0.27 -0.10 0.06 0.00 -0.85 0.00 0.00 60.65 60.03 2chs h LYS 30 Cb 0.16 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 31.72 2chs h LYS 30 CO -0.03 0.57 -0.25 0.82 -3.45 0.00 0.00 179.45 177.11 2chs h ILE 31 N -0.10 0.38 -0.65 2.00 2.04 -0.86 -0.30 117.51 120.02 2chs h ILE 31 Ca 0.03 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.98 2chs h ILE 31 Cb 0.50 0.38 -0.07 0.00 -0.74 0.00 0.00 36.82 36.89 2chs h ILE 31 CO 0.02 0.00 0.28 0.40 0.00 0.00 0.00 178.15 178.84 2chs h ILE 32 N -0.28 0.79 0.20 -0.67 2.04 -1.02 -1.18 117.51 117.38 2chs h ILE 32 Ca 0.12 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 2chs h ILE 32 Cb 0.47 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2chs h ILE 32 CO -0.36 0.09 -0.10 -0.08 0.00 0.00 0.00 178.15 177.70 2chs h GLU 33 N 0.48 -0.26 0.00 2.37 4.81 -0.74 0.28 114.58 121.52 2chs h GLU 33 Ca 0.33 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.55 2chs h GLU 33 Cb 0.39 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 2chs h GLU 33 CO -0.30 0.00 -0.11 0.93 -0.73 0.00 0.00 179.01 178.80 2chs h GLU 34 N -0.50 0.00 -0.05 1.92 4.39 -0.79 -3.13 114.58 116.41 2chs h GLU 34 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2chs h GLU 34 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2chs h GLU 34 CO 0.05 0.11 0.00 0.09 -1.16 0.00 0.00 179.01 178.10 2chs n ASN 35 N -4.14 1.78 -3.71 1.42 3.02 -0.47 -4.77 115.26 108.38 2chs n ASN 35 Ca -0.02 -1.57 -0.25 0.00 -0.03 0.00 0.00 54.58 52.70 2chs n ASN 35 Cb 0.20 -0.03 0.06 0.00 -0.61 0.00 0.00 39.78 39.39 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 -0.01 -2.50 -2.96 3.10 8.25 0.96 -4.91 115.22 117.14 2chs n HIS 36 Ca 0.03 0.95 -0.40 0.00 -0.26 0.00 0.00 57.72 58.04 2chs n HIS 36 Cb 0.19 -4.59 -0.06 0.00 1.12 0.00 0.00 29.99 26.66 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 -3.35 4.49 -0.01 1.59 2.01 -0.92 -5.05 115.64 114.40 2chs s THR 37 Ca 0.50 1.71 0.04 0.00 0.31 0.00 0.00 61.69 64.25 2chs s THR 37 Cb -0.23 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.10 2chs s THR 37 CO 0.78 0.45 -0.11 -0.54 -0.69 0.00 0.00 174.62 174.51 2chs s LYS 38 N -0.70 2.44 0.26 4.92 -0.14 -1.26 -4.93 119.74 120.32 2chs s LYS 38 Ca 0.38 -0.76 -0.02 0.00 -1.36 0.00 0.00 55.97 54.20 2chs s LYS 38 Cb -0.22 -2.40 0.48 0.00 -1.68 0.00 0.00 37.83 34.01 2chs s LYS 38 CO 0.25 0.60 1.77 -1.00 -0.76 0.00 0.00 175.35 176.21 2chs h PRO 39 N 4.81 0.63 0.00 -1.68 0.13 -1.94 -0.28 132.00 133.66 2chs h PRO 39 Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2chs h PRO 39 Cb 1.16 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2chs h PRO 39 CO 0.51 0.42 0.00 -0.85 -0.23 0.00 0.00 178.00 177.85 2chs n GLU 40 N -4.85 0.01 0.00 0.86 0.00 -1.26 -1.76 120.64 113.64 2chs n GLU 40 Ca 0.16 0.39 0.12 0.00 0.00 0.00 0.00 57.16 57.83 2chs n GLU 40 Cb 0.39 -1.53 0.17 0.00 0.00 0.00 0.00 31.44 30.47 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 -1.55 2.08 -4.65 -1.84 8.00 -0.12 -4.86 116.55 113.62 2chs n ASP 41 Ca 0.02 -1.55 -0.41 0.00 0.71 0.00 0.00 54.79 53.55 2chs n ASP 41 Cb 0.08 0.20 -0.05 0.00 -0.02 0.00 0.00 41.12 41.33 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 -2.27 4.96 0.04 2.53 1.01 -0.72 -0.58 120.40 125.37 2chs s VAL 42 Ca 0.25 1.29 -0.26 0.00 0.00 0.00 0.00 61.98 63.26 2chs s VAL 42 Cb 0.19 -4.00 -0.17 0.00 0.00 0.00 0.00 36.38 32.41 2chs s VAL 42 CO 0.45 0.04 1.42 0.58 0.00 0.00 0.00 175.10 177.59 2chs h VAL 43 N 5.30 0.75 -2.24 2.92 2.07 -0.72 -3.46 116.25 120.87 2chs h VAL 43 Ca -0.28 -0.40 0.23 0.00 0.82 0.00 0.00 66.70 67.06 2chs h VAL 43 Cb 1.13 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.80 2chs h VAL 43 CO 0.80 0.08 0.66 0.00 0.02 0.00 0.00 177.57 179.14 2chs s GLN 44 N -5.23 0.97 -0.15 1.57 -2.07 -1.21 -4.60 119.66 108.94 2chs s GLN 44 Ca -0.15 -0.60 -0.09 0.00 -1.82 0.00 0.00 55.36 52.71 2chs s GLN 44 Cb 0.03 0.29 0.05 0.00 -1.09 0.00 0.00 33.01 32.29 2chs s GLN 44 CO 0.60 -0.45 0.38 1.41 -1.32 0.00 0.00 175.29 175.90 2chs s MET 45 N -2.41 0.36 -0.13 9.60 1.75 -0.49 -1.72 119.30 126.26 2chs s MET 45 Ca 0.20 0.70 -0.01 0.00 -1.25 0.00 0.00 55.69 55.34 2chs s MET 45 Cb -0.01 -0.01 -0.02 0.00 2.84 0.00 0.00 34.83 37.64 2chs s MET 45 CO 0.02 -0.14 -0.11 -0.51 -0.65 0.00 0.00 175.02 173.62 2chs s LEU 46 N 1.21 2.83 -0.10 4.11 1.43 -0.67 -1.20 118.68 126.29 2chs s LEU 46 Ca -0.08 -0.28 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 2chs s LEU 46 Cb -0.08 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 2chs s LEU 46 CO -0.10 0.17 -0.22 -0.76 0.23 0.00 0.00 176.35 175.67 2chs s LEU 47 N 0.30 2.22 0.23 1.79 1.43 -0.21 -0.70 118.68 123.74 2chs s LEU 47 Ca -0.09 -0.50 0.09 0.00 -1.03 0.00 0.00 54.13 52.61 2chs s LEU 47 Cb -0.15 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 2chs s LEU 47 CO 0.05 0.18 -0.06 -0.94 0.23 0.00 0.00 176.35 175.81 2chs s SER 48 N 0.22 4.34 0.03 2.29 1.04 0.20 -2.01 113.70 119.81 2chs s SER 48 Ca -0.14 -0.64 0.02 0.00 0.48 0.00 0.00 55.95 55.67 2chs s SER 48 Cb -0.17 -0.75 -0.02 0.00 0.10 0.00 0.00 66.02 65.19 2chs s SER 48 CO 0.07 0.05 -0.08 0.00 0.98 0.00 0.00 173.24 174.26 2chs s ALA 49 N -2.06 0.63 0.88 5.32 0.00 -1.14 -1.32 121.76 124.07 2chs s ALA 49 Ca 0.28 -0.60 -0.11 0.00 0.00 0.00 0.00 51.96 51.53 2chs s ALA 49 Cb -0.07 -0.04 0.12 0.00 0.00 0.00 0.00 23.12 23.12 2chs s ALA 49 CO 0.17 0.06 1.09 0.95 0.00 0.00 0.00 175.76 178.04 2chs s THR 50 N -0.88 2.72 -2.00 0.00 -4.23 -0.78 -0.93 115.64 109.55 2chs s THR 50 Ca -0.04 0.23 0.11 0.00 -1.18 0.00 0.00 61.69 60.82 2chs s THR 50 Cb -0.07 -2.74 0.32 0.00 1.34 0.00 0.00 72.50 71.35 2chs s THR 50 CO 0.00 -0.31 1.16 -0.81 -0.54 0.00 0.00 174.62 174.13 2chs n PRO 51 N -3.83 0.62 -0.18 3.99 -0.04 -1.26 -2.60 135.00 131.70 2chs n PRO 51 Ca 0.07 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.65 2chs n PRO 51 Cb 0.55 -1.29 0.24 0.00 -0.04 0.00 0.00 33.50 32.97 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 -0.79 3.18 -4.19 3.54 5.68 -1.26 -4.88 116.55 117.84 2chs n ASP 52 Ca 0.09 -1.95 -0.34 0.00 -0.50 0.00 0.00 54.79 52.08 2chs n ASP 52 Cb 0.04 -0.24 -0.15 0.00 -1.14 0.00 0.00 41.12 39.63 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 -1.48 2.58 0.00 -2.12 1.43 -1.07 -4.86 118.68 113.15 2chs s LEU 53 Ca 0.38 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 2chs s LEU 53 Cb 0.22 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.85 2chs s LEU 53 CO 0.31 -0.03 0.21 1.41 0.23 0.00 0.00 176.35 178.48 2chs n HIS 54 N 4.67 0.00 -0.05 0.29 8.25 -1.26 -4.91 115.22 122.22 2chs n HIS 54 Ca -0.19 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.14 2chs n HIS 54 Cb 0.49 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.53 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 0.19 -2.65 -1.41 0.00 -1.93 -3.46 119.26 110.00 2chs h ALA 55 Ca 0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 2chs h ALA 55 Cb 0.10 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 17.71 2chs h ALA 55 CO 0.00 -0.03 -0.17 0.54 0.00 0.00 0.00 179.25 179.59 2chs s VAL 56 N -4.58 0.09 -0.04 0.00 0.11 -1.26 -4.85 120.40 109.87 2chs s VAL 56 Ca -0.14 -0.74 -0.30 0.00 -2.93 0.00 0.00 61.98 57.87 2chs s VAL 56 Cb 0.05 -1.17 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 2chs s VAL 56 CO 0.73 -0.41 1.23 -0.36 -3.33 0.00 0.00 175.10 172.96 2chs s PHE 57 N -3.58 3.15 0.63 1.54 0.08 -1.26 -4.95 117.98 113.59 2chs s PHE 57 Ca 0.02 1.16 0.34 0.00 0.12 0.00 0.00 56.93 58.57 2chs s PHE 57 Cb 0.02 -3.46 1.95 0.00 -0.57 0.00 0.00 43.02 40.96 2chs s PHE 57 CO -0.10 -1.49 2.20 -1.35 -0.10 0.00 0.00 175.22 174.38 2chs h PRO 58 N 7.48 0.00 0.00 0.24 0.11 -1.95 -2.28 132.00 135.59 2chs h PRO 58 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2chs h PRO 58 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2chs h PRO 58 CO 0.88 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.67 2chs h ALA 59 N 1.83 1.00 0.00 -0.75 0.00 -1.95 -2.28 119.26 117.11 2chs h ALA 59 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2chs h ALA 59 Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2chs h ALA 59 CO -0.00 0.00 -0.08 -0.22 0.00 0.00 0.00 179.25 178.95 2chs h LYS 60 N 0.00 0.00 0.00 0.00 3.64 -1.82 -1.61 116.57 116.78 2chs h LYS 60 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2chs h LYS 60 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2chs h LYS 60 CO 0.00 0.08 0.00 0.00 -2.27 0.00 0.00 179.45 177.26 2chs h ALA 61 N 1.92 1.00 0.00 5.00 0.00 -1.65 -2.76 119.26 122.77 2chs h ALA 61 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2chs h ALA 61 Cb 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2chs h ALA 61 CO 0.01 0.00 -0.19 0.28 0.00 0.00 0.00 179.25 179.35 2chs h VAL 62 N 0.00 0.51 -0.22 0.00 2.07 -1.50 -2.19 116.25 114.92 2chs h VAL 62 Ca 0.00 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 66.61 2chs h VAL 62 Cb 0.40 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2chs h VAL 62 CO 0.00 0.19 0.17 -0.09 0.02 0.00 0.00 177.57 177.85 2chs h ARG 63 N 0.00 0.00 -0.49 1.57 2.43 -1.64 -2.55 114.38 113.71 2chs h ARG 63 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2chs h ARG 63 Cb 0.66 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2chs h ARG 63 CO 0.02 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.87 2chs n GLU 64 N -4.37 2.21 -3.74 0.20 1.02 -0.82 -4.73 120.64 110.40 2chs n GLU 64 Ca 0.02 -1.58 -0.38 0.00 -0.02 0.00 0.00 57.16 55.21 2chs n GLU 64 Cb 0.31 -1.44 -0.12 0.00 -0.02 0.00 0.00 31.44 30.17 2chs n GLU 64 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2chs s LEU 65 N -1.10 4.47 0.12 -4.62 1.43 -0.96 -5.05 118.68 112.96 2chs s LEU 65 Ca 0.29 -1.27 -0.34 0.00 -1.03 0.00 0.00 54.13 51.78 2chs s LEU 65 Cb 0.16 -1.87 -0.14 0.00 0.03 0.00 0.00 46.19 44.37 2chs s LEU 65 CO 0.17 -0.37 1.57 -1.20 0.23 0.00 0.00 176.35 176.76 2chs n SER 66 N 4.80 2.90 0.00 2.29 7.64 -1.26 -1.81 113.62 128.18 2chs n SER 66 Ca -0.11 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.84 2chs n SER 66 Cb 0.44 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 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 3.38 1.64 0.36 0.23 0.00 -1.26 -4.93 105.19 104.62 2chs n GLY 67 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 0.09 0.33 1.61 7.02 -0.75 -4.49 117.44 119.26 2chs n TRP 68 Ca 0.00 -0.05 0.16 0.00 -1.02 0.00 0.00 57.50 56.59 2chs n TRP 68 Cb 0.00 0.00 0.83 0.00 -2.42 0.00 0.00 31.31 29.72 2chs n TRP 68 CO 0.00 0.00 0.00 0.37 -2.02 0.00 0.00 177.69 176.04 2chs h GLN 69 N 1.54 0.00 -0.01 -0.99 5.75 -1.85 -1.47 115.11 118.07 2chs h GLN 69 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2chs h GLN 69 Cb 0.33 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.88 2chs h GLN 69 CO 0.00 0.00 -0.27 0.66 -2.65 0.00 0.00 178.83 176.57 2chs n TYR 70 N -2.88 0.00 -1.93 3.99 4.01 -1.26 -4.96 117.16 114.13 2chs n TYR 70 Ca -0.02 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.29 2chs n TYR 70 Cb 0.36 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.36 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 -1.64 3.44 -0.15 -0.72 1.01 -0.56 -4.96 120.40 116.82 2chs s VAL 71 Ca 0.11 0.51 -0.29 0.00 0.00 0.00 0.00 61.98 62.31 2chs s VAL 71 Cb 0.11 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 2chs s VAL 71 CO 0.33 -0.13 1.20 -2.16 0.00 0.00 0.00 175.10 174.35 2chs s PRO 72 N 4.65 4.27 0.10 2.72 0.04 -1.26 -4.96 135.00 140.56 2chs s PRO 72 Ca 0.79 1.60 0.07 0.00 0.04 0.00 0.00 61.00 63.51 2chs s PRO 72 Cb -0.32 -3.69 -0.03 0.00 0.04 0.00 0.00 34.50 30.49 2chs s PRO 72 CO 0.32 -0.62 -0.18 0.14 0.04 0.00 0.00 177.00 176.70 2chs s VAL 73 N 3.11 1.52 0.13 -0.36 -7.23 -1.26 -1.40 120.40 114.92 2chs s VAL 73 Ca 0.53 -1.54 -0.13 0.00 -1.81 0.00 0.00 61.98 59.04 2chs s VAL 73 Cb -0.21 -1.45 0.01 0.00 0.56 0.00 0.00 36.38 35.29 2chs s VAL 73 CO 0.15 -0.17 0.33 0.28 -0.31 0.00 0.00 175.10 175.38 2chs s THR 74 N -1.39 0.09 0.34 5.32 -1.32 -0.34 -4.96 115.64 113.38 2chs s THR 74 Ca 0.05 -0.95 0.09 0.00 -1.21 0.00 0.00 61.69 59.67 2chs s THR 74 Cb -0.09 -1.41 -0.05 0.00 -1.51 0.00 0.00 72.50 69.43 2chs s THR 74 CO 0.04 -0.39 0.06 0.00 -2.21 0.00 0.00 174.62 172.12 2chs s MET 76 N -3.77 1.14 0.05 0.00 0.23 -0.85 -4.90 119.30 111.20 2chs s MET 76 Ca 0.36 -0.80 -0.20 0.00 -1.03 0.00 0.00 55.69 54.02 2chs s MET 76 Cb -0.00 0.47 -0.06 0.00 -1.53 0.00 0.00 34.83 33.70 2chs s MET 76 CO 0.20 -0.45 0.59 -1.14 -2.03 0.00 0.00 175.02 172.19 2chs s GLN 77 N -3.84 4.26 0.58 3.16 0.74 -1.26 -2.90 119.66 120.40 2chs s GLN 77 Ca 0.06 0.75 -0.18 0.00 0.05 0.00 0.00 55.36 56.04 2chs s GLN 77 Cb 0.01 -3.28 -0.04 0.00 1.10 0.00 0.00 33.01 30.80 2chs s GLN 77 CO -0.09 0.53 1.10 -2.00 -0.55 0.00 0.00 175.29 174.29 2chs s GLU 78 N -0.75 3.23 0.61 1.67 2.56 -0.10 -4.88 118.70 121.04 2chs s GLU 78 Ca 0.30 1.46 -0.16 0.00 0.00 0.00 0.00 54.97 56.57 2chs s GLU 78 Cb -0.19 -2.00 -0.02 0.00 2.00 0.00 0.00 34.13 33.91 2chs s GLU 78 CO 0.19 -0.92 1.10 0.00 -0.56 0.00 0.00 175.26 175.07 2chs s MET 79 N -3.63 3.08 -0.69 4.30 0.23 -1.26 -4.59 119.30 116.74 2chs s MET 79 Ca 0.69 1.39 -0.21 0.00 -1.03 0.00 0.00 55.69 56.53 2chs s MET 79 Cb -0.21 -1.99 0.09 0.00 -1.53 0.00 0.00 34.83 31.19 2chs s MET 79 CO 0.32 -1.03 0.94 0.34 -2.03 0.00 0.00 175.02 173.56 2chs s ASP 80 N -2.43 6.24 -0.14 -1.18 2.15 -1.26 -4.91 116.67 115.13 2chs s ASP 80 Ca 0.67 -1.23 -0.07 0.00 0.43 0.00 0.00 52.55 52.35 2chs s ASP 80 Cb -0.20 -2.39 -0.04 0.00 -0.30 0.00 0.00 42.92 39.99 2chs s ASP 80 CO 0.36 -1.33 0.11 -0.69 -0.17 0.00 0.00 175.17 173.46 2chs s VAL 81 N 3.60 5.23 0.11 1.11 1.01 -1.26 -5.04 120.40 125.15 2chs s VAL 81 Ca 0.22 0.11 -0.31 0.00 0.00 0.00 0.00 61.98 62.00 2chs s VAL 81 Cb -0.16 -3.30 -0.09 0.00 0.00 0.00 0.00 36.38 32.83 2chs s VAL 81 CO 0.07 0.56 1.56 -0.89 0.00 0.00 0.00 175.10 176.39 2chs s THR 82 N -0.51 2.98 0.00 3.92 2.01 -1.26 -1.79 115.64 120.99 2chs s THR 82 Ca 0.12 0.60 0.00 0.00 0.31 0.00 0.00 61.69 62.71 2chs s THR 82 Cb -0.12 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 69.01 2chs s THR 82 CO 0.02 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 2chs n GLY 83 N 3.79 0.53 3.81 4.40 0.00 -1.26 -5.04 105.19 111.43 2chs n GLY 83 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 1.65 0.02 -0.02 0.00 -0.74 -4.95 107.32 101.27 2chs s GLY 84 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 44.72 44.38 2chs s GLY 84 CO 0.00 0.32 1.73 -2.27 0.00 0.00 0.00 173.10 172.88 2chs s LEU 85 N -5.63 4.37 0.63 0.66 2.96 -1.26 -4.97 118.68 115.42 2chs s LEU 85 Ca 0.59 2.44 -0.14 0.00 -0.22 0.00 0.00 54.13 56.80 2chs s LEU 85 Cb -0.14 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.98 2chs s LEU 85 CO 0.55 -0.94 1.06 -0.54 -1.32 0.00 0.00 176.35 175.15 2chs s LYS 86 N 3.61 3.17 -1.28 1.98 -0.14 -1.26 -4.28 119.74 121.54 2chs s LYS 86 Ca 0.77 1.15 -0.01 0.00 -1.36 0.00 0.00 55.97 56.52 2chs s LYS 86 Cb -0.38 -2.02 -0.00 0.00 -1.68 0.00 0.00 37.83 33.75 2chs s LYS 86 CO 0.33 -0.92 0.73 1.63 -0.76 0.00 0.00 175.35 176.36 2chs n LYS 87 N -2.36 -4.78 -5.17 1.68 5.02 -1.26 -4.83 118.16 106.45 2chs n LYS 87 Ca 0.08 0.64 -0.31 0.00 -2.02 0.00 0.00 58.31 56.71 2chs n LYS 87 Cb 0.53 -5.20 -0.17 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 0.05 3.36 0.10 0.00 1.01 -0.60 -1.86 121.20 123.26 2chs s ILE 89 Ca -0.09 -0.56 0.06 0.00 0.00 0.00 0.00 60.65 60.06 2chs s ILE 89 Cb -0.15 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 2chs s ILE 89 CO 0.05 0.53 -0.15 -0.13 0.00 0.00 0.00 174.94 175.24 2chs s ARG 90 N 0.16 0.94 0.04 2.79 0.52 -0.43 -1.25 118.95 121.72 2chs s ARG 90 Ca -0.05 -1.10 0.04 0.00 -0.52 0.00 0.00 55.73 54.10 2chs s ARG 90 Cb -0.15 -0.92 -0.02 0.00 0.52 0.00 0.00 34.95 34.38 2chs s ARG 90 CO 0.04 0.20 -0.12 0.54 0.02 0.00 0.00 175.30 175.98 2chs s VAL 91 N -1.62 0.91 -0.28 3.52 0.11 0.68 -0.62 120.40 123.09 2chs s VAL 91 Ca 0.04 -0.96 0.02 0.00 -2.93 0.00 0.00 61.98 58.14 2chs s VAL 91 Cb -0.08 -0.85 0.08 0.00 -1.53 0.00 0.00 36.38 34.00 2chs s VAL 91 CO 0.03 -0.09 0.00 -0.32 -3.33 0.00 0.00 175.10 171.39 2chs s MET 92 N -1.18 1.44 -0.20 1.54 1.75 0.12 -1.81 119.30 120.96 2chs s MET 92 Ca -0.01 -1.28 -0.09 0.00 -1.25 0.00 0.00 55.69 53.05 2chs s MET 92 Cb -0.08 -2.66 -0.05 0.00 2.84 0.00 0.00 34.83 34.88 2chs s MET 92 CO 0.01 -0.77 0.12 1.41 -0.65 0.00 0.00 175.02 175.14 2chs s MET 93 N 1.28 4.13 -0.25 4.11 1.75 0.48 -1.67 119.30 129.13 2chs s MET 93 Ca 0.02 -0.25 -0.05 0.00 -1.25 0.00 0.00 55.69 54.15 2chs s MET 93 Cb -0.19 -3.39 -0.01 0.00 2.84 0.00 0.00 34.83 34.09 2chs s MET 93 CO -0.10 0.27 0.01 0.99 -0.65 0.00 0.00 175.02 175.54 2chs s THR 94 N 0.44 3.70 0.23 10.11 2.01 -0.70 -0.00 115.64 131.42 2chs s THR 94 Ca 0.07 -0.52 0.09 0.00 0.31 0.00 0.00 61.69 61.64 2chs s THR 94 Cb -0.12 -2.77 -0.05 0.00 0.01 0.00 0.00 72.50 69.57 2chs s THR 94 CO -0.01 0.29 -0.17 0.68 -0.69 0.00 0.00 174.62 174.72 2chs s VAL 95 N 1.50 2.03 -0.24 3.82 -7.23 -0.26 0.03 120.40 120.04 2chs s VAL 95 Ca 0.05 -2.26 -0.21 0.00 -1.81 0.00 0.00 61.98 57.74 2chs s VAL 95 Cb -0.15 -2.12 -0.02 0.00 0.56 0.00 0.00 36.38 34.65 2chs s VAL 95 CO -0.00 -0.50 0.68 -1.58 -0.31 0.00 0.00 175.10 173.39 2chs s GLN 96 N -3.52 4.14 0.14 4.82 0.74 0.25 -0.76 119.66 125.48 2chs s GLN 96 Ca 0.25 0.66 -0.22 0.00 0.05 0.00 0.00 55.36 56.10 2chs s GLN 96 Cb -0.03 -3.64 0.06 0.00 1.10 0.00 0.00 33.01 30.51 2chs s GLN 96 CO 0.10 -0.42 0.57 -0.08 -0.55 0.00 0.00 175.29 174.91 2chs s THR 97 N 2.53 0.01 -0.45 -0.34 -1.32 -0.74 -4.93 115.64 110.41 2chs s THR 97 Ca 0.29 -0.10 0.07 0.00 -1.21 0.00 0.00 61.69 60.73 2chs s THR 97 Cb -0.15 -1.02 0.19 0.00 -1.51 0.00 0.00 72.50 70.00 2chs s THR 97 CO 0.08 -0.06 1.15 0.47 -2.21 0.00 0.00 174.62 174.06 2chs n ASP 98 N -0.24 2.55 -4.73 8.08 8.00 -1.26 -1.86 116.55 127.08 2chs n ASP 98 Ca -0.17 -2.11 -0.41 0.00 0.71 0.00 0.00 54.79 52.81 2chs n ASP 98 Cb 0.64 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 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 -1.19 3.52 0.45 2.53 1.01 -1.26 -4.97 120.40 120.49 2chs s VAL 99 Ca 0.15 1.21 -0.24 0.00 0.00 0.00 0.00 61.98 63.10 2chs s VAL 99 Cb 0.09 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.60 2chs s VAL 99 CO 0.08 0.16 1.09 -0.81 0.00 0.00 0.00 175.10 175.62 2chs n PRO 100 N 2.92 1.47 -0.32 2.72 -0.04 -1.26 -4.85 135.00 135.64 2chs n PRO 100 Ca 0.06 0.53 0.16 0.00 -0.04 0.00 0.00 63.50 64.21 2chs n PRO 100 Cb 0.44 -2.17 0.35 0.00 -0.04 0.00 0.00 33.50 32.08 2chs n PRO 100 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2chs h GLN 101 N 1.56 0.38 0.00 0.54 4.15 -1.98 0.12 115.11 119.87 2chs h GLN 101 Ca -0.46 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.94 2chs h GLN 101 Cb 1.33 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.93 2chs h GLN 101 CO 0.57 0.25 0.00 -0.40 -1.93 0.00 0.00 178.83 177.32 2chs n ASP 102 N -5.04 0.00 0.00 -0.69 5.75 -1.26 -3.14 116.55 112.17 2chs n ASP 102 Ca 0.25 -0.95 0.00 0.00 -0.01 0.00 0.00 54.79 54.08 2chs n ASP 102 Cb 0.74 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.83 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 -0.94 1.78 -2.08 0.11 6.02 0.39 -5.02 117.38 117.64 2chs n GLN 103 Ca 0.18 -1.15 -0.41 0.00 -0.01 0.00 0.00 57.00 55.61 2chs n GLN 103 Cb 0.08 -0.94 -0.02 0.00 1.02 0.00 0.00 30.24 30.38 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 -0.66 2.72 -0.52 5.09 -1.09 -1.13 -4.94 121.20 120.66 2chs s ILE 104 Ca 0.00 0.67 -0.18 0.00 -2.23 0.00 0.00 60.65 58.90 2chs s ILE 104 Cb 0.00 -3.43 0.07 0.00 -1.58 0.00 0.00 42.46 37.53 2chs s ILE 104 CO 0.00 0.14 0.60 -0.13 -1.23 0.00 0.00 174.94 174.32 2chs s ARG 105 N -1.20 3.08 0.10 2.79 1.81 -1.26 -5.06 118.95 119.21 2chs s ARG 105 Ca 0.53 -1.08 -0.15 0.00 -1.72 0.00 0.00 55.73 53.32 2chs s ARG 105 Cb -0.40 -4.14 -0.07 0.00 -0.45 0.00 0.00 34.95 29.89 2chs s ARG 105 CO 0.49 -1.26 0.51 -1.01 -0.68 0.00 0.00 175.30 173.35 2chs s HIS 106 N 2.45 3.67 -0.18 -0.53 3.76 -1.26 -4.83 115.29 118.36 2chs s HIS 106 Ca 0.12 1.06 0.01 0.00 -0.15 0.00 0.00 55.06 56.10 2chs s HIS 106 Cb -0.21 -2.35 0.02 0.00 1.11 0.00 0.00 32.58 31.14 2chs s HIS 106 CO 0.10 0.51 -0.18 0.08 -0.85 0.00 0.00 174.74 174.39 2chs s VAL 107 N -1.32 2.21 -0.25 -0.90 1.01 -0.94 -5.01 120.40 115.21 2chs s VAL 107 Ca 0.33 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.42 2chs s VAL 107 Cb -0.16 -1.94 0.04 0.00 0.00 0.00 0.00 36.38 34.32 2chs s VAL 107 CO 0.18 0.53 -0.09 -0.31 0.00 0.00 0.00 175.10 175.40 2chs s TYR 108 N 1.28 3.10 0.38 5.22 2.02 -1.26 -0.57 117.35 127.52 2chs s TYR 108 Ca 0.04 -1.85 0.06 0.00 -0.37 0.00 0.00 57.07 54.95 2chs s TYR 108 Cb -0.13 -2.00 -0.07 0.00 -0.40 0.00 0.00 41.96 39.35 2chs s TYR 108 CO -0.11 -0.80 0.03 -0.51 -1.57 0.00 0.00 175.55 172.59 2chs s LEU 109 N 1.24 2.60 0.00 -1.29 1.43 0.10 -4.36 118.68 118.40 2chs s LEU 109 Ca -0.02 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 51.70 2chs s LEU 109 Cb -0.17 -0.69 0.00 0.00 0.03 0.00 0.00 46.19 45.35 2chs s LEU 109 CO -0.06 -0.52 0.00 -0.62 0.23 0.00 0.00 176.35 175.38 2chs n GLU 110 N -0.86 0.00 0.13 1.70 -0.58 -1.26 -1.51 120.64 118.26 2chs n GLU 110 Ca -0.04 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.83 2chs n GLU 110 Cb 0.67 0.00 0.38 0.00 -0.57 0.00 0.00 31.44 31.92 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 -1.92 -3.14 116.57 116.57 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 -1.84 1.40 0.00 3.86 0.00 -0.57 -2.48 120.51 120.89 2chs n ALA 112 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2chs n ALA 112 Cb 0.43 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.45 1.80 0.74 0.00 0.24 -1.19 -1.52 118.33 116.96 2chs n VAL 113 Ca 0.02 0.50 0.09 0.00 -2.04 0.00 0.00 64.34 62.92 2chs n VAL 113 Cb 0.09 -1.50 0.27 0.00 -1.47 0.00 0.00 33.84 31.22 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 -1.46 0.45 0.84 3.34 3.14 -1.03 -5.04 118.33 118.57 2chs n VAL 114 Ca -0.00 -0.54 0.10 0.00 -2.96 0.00 0.00 64.34 60.94 2chs n VAL 114 Cb 0.05 0.45 0.08 0.00 -1.06 0.00 0.00 33.84 33.36 2chs n VAL 114 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55