#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 1.50 0.11 1.12 -4.36 -1.26 -2.12 121.20 116.19 2chs s ILE 3 Ca 0.00 -0.91 0.06 0.00 -0.26 0.00 0.00 60.65 59.54 2chs s ILE 3 Cb 0.00 -1.27 -0.04 0.00 1.25 0.00 0.00 42.46 42.41 2chs s ILE 3 CO 0.00 0.34 -0.15 -0.13 0.24 0.00 0.00 174.94 175.24 2chs s ARG 4 N -0.67 0.99 0.08 0.37 0.52 -0.23 -4.91 118.95 115.08 2chs s ARG 4 Ca 0.07 -1.17 -0.21 0.00 -0.52 0.00 0.00 55.73 53.89 2chs s ARG 4 Cb -0.08 -0.92 -0.07 0.00 0.52 0.00 0.00 34.95 34.41 2chs s ARG 4 CO 0.00 0.19 0.64 0.20 0.02 0.00 0.00 175.30 176.34 2chs s GLY 5 N -2.26 2.73 -0.05 -3.53 0.00 -1.26 -1.44 107.32 101.51 2chs s GLY 5 Ca 0.06 0.13 0.05 0.00 0.00 0.00 0.00 44.72 44.96 2chs s GLY 5 CO 0.03 0.66 -0.21 -0.42 0.00 0.00 0.00 173.10 173.16 2chs s ILE 6 N -0.85 2.48 0.18 0.90 1.01 -0.44 -4.95 121.20 119.54 2chs s ILE 6 Ca 0.32 -0.93 0.08 0.00 0.00 0.00 0.00 60.65 60.12 2chs s ILE 6 Cb -0.20 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 2chs s ILE 6 CO 0.21 0.58 -0.06 -0.13 0.00 0.00 0.00 174.94 175.53 2chs s ARG 7 N -0.47 2.18 0.07 2.79 1.81 -1.26 -1.35 118.95 122.71 2chs s ARG 7 Ca 0.06 -1.22 -0.22 0.00 -1.72 0.00 0.00 55.73 52.63 2chs s ARG 7 Cb -0.12 -2.22 0.05 0.00 -0.45 0.00 0.00 34.95 32.21 2chs s ARG 7 CO 0.01 0.44 0.53 0.20 -0.68 0.00 0.00 175.30 175.80 2chs s GLY 8 N -2.89 -0.45 -0.03 -3.53 0.00 -0.97 -1.60 107.32 97.85 2chs s GLY 8 Ca 0.26 0.52 -0.22 0.00 0.00 0.00 0.00 44.72 45.29 2chs s GLY 8 CO 0.16 0.22 0.47 0.00 0.00 0.00 0.00 173.10 173.96 2chs s ALA 9 N -2.82 -1.21 0.25 3.20 0.00 -0.93 -0.87 121.76 119.37 2chs s ALA 9 Ca -0.03 0.77 -0.20 0.00 0.00 0.00 0.00 51.96 52.49 2chs s ALA 9 Cb -0.00 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.18 2chs s ALA 9 CO -0.05 -0.31 0.67 -0.08 0.00 0.00 0.00 175.76 175.99 2chs s THR 10 N -1.25 0.00 0.11 0.00 -1.32 -0.69 -0.60 115.64 111.90 2chs s THR 10 Ca -0.12 -0.85 0.05 0.00 -1.21 0.00 0.00 61.69 59.56 2chs s THR 10 Cb -0.03 -1.82 -0.04 0.00 -1.51 0.00 0.00 72.50 69.11 2chs s THR 10 CO 0.07 -0.01 -0.12 0.42 -2.21 0.00 0.00 174.62 172.76 2chs s THR 11 N -3.90 1.15 0.39 5.08 -4.23 -1.26 -0.80 115.64 112.08 2chs s THR 11 Ca 0.10 -1.64 0.08 0.00 -1.18 0.00 0.00 61.69 59.05 2chs s THR 11 Cb -0.04 -1.41 -0.04 0.00 1.34 0.00 0.00 72.50 72.35 2chs s THR 11 CO 0.03 -0.45 0.23 0.68 -0.54 0.00 0.00 174.62 174.57 2chs s VAL 12 N -2.16 2.69 -0.14 2.29 -7.23 -0.56 -4.80 120.40 110.48 2chs s VAL 12 Ca 0.06 -1.58 0.04 0.00 -1.81 0.00 0.00 61.98 58.69 2chs s VAL 12 Cb -0.05 -3.00 -0.23 0.00 0.56 0.00 0.00 36.38 33.66 2chs s VAL 12 CO 0.02 -0.07 0.26 -0.62 -0.31 0.00 0.00 175.10 174.38 2chs n GLU 13 N -1.30 0.69 -4.11 4.82 -0.58 -1.26 -4.84 120.64 114.06 2chs n GLU 13 Ca -0.00 0.20 -0.09 0.00 -0.42 0.00 0.00 57.16 56.85 2chs n GLU 13 Cb 0.62 -1.66 -0.10 0.00 -0.57 0.00 0.00 31.44 29.73 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 -2.55 0.66 -1.22 3.49 0.52 -1.26 -5.06 118.95 113.53 2chs s ARG 14 Ca -0.19 -1.16 -0.15 0.00 -0.52 0.00 0.00 55.73 53.71 2chs s ARG 14 Cb 0.07 -0.00 0.15 0.00 0.52 0.00 0.00 34.95 35.69 2chs s ARG 14 CO 0.76 -0.05 1.49 0.34 0.02 0.00 0.00 175.30 177.85 2chs s ASP 15 N -2.70 7.01 0.14 0.23 2.15 -1.26 -4.63 116.67 117.61 2chs s ASP 15 Ca 0.05 -2.85 0.05 0.00 0.43 0.00 0.00 52.55 50.23 2chs s ASP 15 Cb 0.04 -2.44 -0.04 0.00 -0.30 0.00 0.00 42.92 40.18 2chs s ASP 15 CO -0.06 -0.84 -0.12 0.28 -0.17 0.00 0.00 175.17 174.26 2chs s THR 16 N 2.16 1.26 0.14 1.71 -1.32 -1.26 -4.63 115.64 113.70 2chs s THR 16 Ca 0.45 -1.96 -0.17 0.00 -1.21 0.00 0.00 61.69 58.80 2chs s THR 16 Cb -0.01 -1.75 -0.01 0.00 -1.51 0.00 0.00 72.50 69.21 2chs s THR 16 CO 0.01 -0.63 1.78 -0.08 -2.21 0.00 0.00 174.62 173.49 2chs h GLU 17 N 3.01 0.32 -0.41 7.08 4.81 -1.92 -1.08 114.58 126.39 2chs h GLU 17 Ca -0.38 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 58.75 2chs h GLU 17 Cb 1.20 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 2chs h GLU 17 CO 0.59 0.21 -0.07 1.49 -0.73 0.00 0.00 179.01 180.50 2chs h GLU 18 N 0.33 0.77 -0.46 1.92 4.81 -1.97 -0.74 114.58 119.24 2chs h GLU 18 Ca 0.13 -0.28 -0.13 0.00 -0.13 0.00 0.00 59.36 58.94 2chs h GLU 18 Cb 0.03 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2chs h GLU 18 CO -0.08 0.89 -0.23 1.49 -0.73 0.00 0.00 179.01 180.35 2chs h GLU 19 N 0.59 0.96 -0.11 1.92 4.57 -1.85 0.78 114.58 121.44 2chs h GLU 19 Ca 0.11 -0.41 -0.03 0.00 -1.18 0.00 0.00 59.36 57.84 2chs h GLU 19 Cb 0.59 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.15 2chs h GLU 19 CO 0.04 1.08 -0.06 0.82 -1.18 0.00 0.00 179.01 179.70 2chs h ILE 20 N 0.82 1.33 -0.40 2.32 2.04 -1.11 -2.64 117.51 119.87 2chs h ILE 20 Ca 0.10 -1.10 -0.07 0.00 1.00 0.00 0.00 64.86 64.79 2chs h ILE 20 Cb 0.80 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 2chs h ILE 20 CO 0.07 0.31 -0.02 -0.07 0.00 0.00 0.00 178.15 178.44 2chs h LEU 21 N -0.14 0.71 -0.06 1.44 3.38 -1.05 -0.21 115.31 119.39 2chs h LEU 21 Ca 0.02 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2chs h LEU 21 Cb 0.52 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2chs h LEU 21 CO 0.02 0.86 0.04 -0.61 0.09 0.00 0.00 178.44 178.84 2chs h GLN 22 N 0.55 0.08 -0.05 1.13 4.15 -0.91 -0.47 115.11 119.59 2chs h GLN 22 Ca 0.11 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.41 2chs h GLN 22 Cb 0.51 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 2chs h GLN 22 CO 0.02 0.08 -0.52 0.87 -1.93 0.00 0.00 178.83 177.35 2chs h LYS 23 N 0.06 0.13 -0.26 1.69 1.79 -1.44 -1.80 116.57 116.75 2chs h LYS 23 Ca 0.02 -0.08 -0.09 0.00 -2.18 0.00 0.00 60.65 58.33 2chs h LYS 23 Cb 0.01 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2chs h LYS 23 CO -0.00 0.62 -0.17 1.15 -1.08 0.00 0.00 179.45 179.97 2chs h THR 24 N 0.11 1.30 -0.69 -0.16 2.02 -0.84 -2.48 112.91 112.17 2chs h THR 24 Ca 0.00 -1.29 -0.02 0.00 0.77 0.00 0.00 66.41 65.88 2chs h THR 24 Cb 0.95 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.90 2chs h THR 24 CO 0.07 0.40 0.37 0.50 0.37 0.00 0.00 175.52 177.24 2chs h LYS 25 N 0.30 0.97 -0.38 6.66 3.64 -1.01 -1.56 116.57 125.19 2chs h LYS 25 Ca 0.05 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2chs h LYS 25 Cb 0.70 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 2chs h LYS 25 CO 0.05 0.73 0.20 1.96 -2.27 0.00 0.00 179.45 180.12 2chs h GLN 26 N 0.95 0.51 -0.13 1.90 4.20 -1.33 0.19 115.11 121.39 2chs h GLN 26 Ca 0.24 -0.05 -0.20 0.00 0.06 0.00 0.00 58.65 58.71 2chs h GLN 26 Cb 0.05 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 27.74 2chs h GLN 26 CO -0.04 0.39 -0.69 1.25 -0.67 0.00 0.00 178.83 179.06 2chs h LEU 27 N 0.52 0.84 -0.13 1.46 5.85 -0.97 -2.76 115.31 120.12 2chs h LEU 27 Ca 0.13 -0.64 -0.03 0.00 0.84 0.00 0.00 57.88 58.19 2chs h LEU 27 Cb 0.03 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 2chs h LEU 27 CO -0.02 1.34 -0.03 -0.07 -0.34 0.00 0.00 178.44 179.32 2chs h LEU 28 N 0.40 0.26 -0.67 2.25 3.38 -0.74 -2.22 115.31 117.97 2chs h LEU 28 Ca -0.05 -0.37 0.14 0.00 0.09 0.00 0.00 57.88 57.69 2chs h LEU 28 Cb 1.33 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.91 2chs h LEU 28 CO 0.14 0.57 0.11 -0.33 0.09 0.00 0.00 178.44 179.03 2chs h GLU 29 N -0.05 0.21 -0.49 1.13 5.08 -1.08 0.30 114.58 119.69 2chs h GLU 29 Ca 0.03 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2chs h GLU 29 Cb 0.46 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2chs h GLU 29 CO 0.01 0.14 0.09 -0.22 -1.00 0.00 0.00 179.01 178.04 2chs h LYS 30 N 0.22 0.80 -0.28 2.33 1.63 -1.34 -0.94 116.57 118.99 2chs h LYS 30 Ca 0.36 -0.21 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 2chs h LYS 30 Cb 0.60 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.12 2chs h LYS 30 CO -0.49 0.80 0.13 0.82 -3.45 0.00 0.00 179.45 177.26 2chs h ILE 31 N 0.68 1.15 -0.13 2.00 2.04 -0.72 -0.91 117.51 121.62 2chs h ILE 31 Ca 0.15 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.59 2chs h ILE 31 Cb 0.37 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 2chs h ILE 31 CO 0.01 0.16 -0.02 0.40 0.00 0.00 0.00 178.15 178.70 2chs h ILE 32 N 0.32 0.89 0.16 -0.67 2.04 -0.79 -1.30 117.51 118.16 2chs h ILE 32 Ca 0.10 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.95 2chs h ILE 32 Cb 0.13 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2chs h ILE 32 CO -0.01 0.00 -0.16 -0.08 0.00 0.00 0.00 178.15 177.91 2chs h GLU 33 N 0.02 -0.33 -0.96 2.37 4.81 -1.07 0.46 114.58 119.88 2chs h GLU 33 Ca 0.06 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.39 2chs h GLU 33 Cb 0.09 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.48 2chs h GLU 33 CO -0.12 -0.22 0.62 0.93 -0.73 0.00 0.00 179.01 179.49 2chs h GLU 34 N -0.34 1.04 -0.15 1.92 4.39 -0.95 -3.02 114.58 117.48 2chs h GLU 34 Ca 0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2chs h GLU 34 Cb 0.33 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2chs h GLU 34 CO -0.04 0.69 0.00 0.09 -1.16 0.00 0.00 179.01 178.59 2chs n ASN 35 N -4.51 2.49 -2.65 1.42 3.02 -0.51 -4.87 115.26 109.65 2chs n ASN 35 Ca 0.15 -1.72 -0.20 0.00 -0.03 0.00 0.00 54.58 52.78 2chs n ASN 35 Cb 0.22 -0.09 0.01 0.00 -0.61 0.00 0.00 39.78 39.30 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 0.80 -1.40 -2.05 3.10 8.25 0.15 -4.91 115.22 119.16 2chs n HIS 36 Ca 0.10 0.19 -0.40 0.00 -0.26 0.00 0.00 57.72 57.35 2chs n HIS 36 Cb 0.39 -3.93 -0.01 0.00 1.12 0.00 0.00 29.99 27.56 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 2.59 -0.11 1.59 2.01 -0.77 -5.01 115.64 112.92 2chs s THR 37 Ca 0.12 0.57 -0.03 0.00 0.31 0.00 0.00 61.69 62.66 2chs s THR 37 Cb -0.05 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 2chs s THR 37 CO 0.14 0.12 0.01 -0.54 -0.69 0.00 0.00 174.62 173.66 2chs s LYS 38 N -2.00 3.25 0.21 4.92 -0.14 -1.26 -4.93 119.74 119.79 2chs s LYS 38 Ca 0.52 -0.41 -0.10 0.00 -1.36 0.00 0.00 55.97 54.62 2chs s LYS 38 Cb -0.40 -2.88 0.29 0.00 -1.68 0.00 0.00 37.83 33.16 2chs s LYS 38 CO 0.53 0.57 1.69 -1.00 -0.76 0.00 0.00 175.35 176.38 2chs h PRO 39 N 5.62 0.19 0.00 -1.68 0.13 -1.96 -1.12 132.00 133.18 2chs h PRO 39 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2chs h PRO 39 Cb 1.19 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2chs h PRO 39 CO 0.58 0.13 0.15 1.05 -0.23 0.00 0.00 178.00 179.68 2chs h GLU 40 N 0.20 0.00 -0.11 0.86 9.09 -1.96 -1.49 114.58 121.17 2chs h GLU 40 Ca 0.31 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.72 2chs h GLU 40 Cb 0.49 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.59 2chs h GLU 40 CO -0.45 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.36 2chs n ASP 41 N -2.94 2.03 -4.68 3.06 8.00 -0.42 -4.85 116.55 116.74 2chs n ASP 41 Ca -0.02 -1.71 -0.38 0.00 0.71 0.00 0.00 54.79 53.38 2chs n ASP 41 Cb 0.21 -0.06 -0.07 0.00 -0.02 0.00 0.00 41.12 41.17 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 -1.87 5.18 -0.03 2.53 1.01 -0.56 -0.10 120.40 126.56 2chs s VAL 42 Ca 0.35 0.81 -0.23 0.00 0.00 0.00 0.00 61.98 62.90 2chs s VAL 42 Cb 0.20 -3.77 -0.22 0.00 0.00 0.00 0.00 36.38 32.59 2chs s VAL 42 CO 0.30 0.26 1.11 0.58 0.00 0.00 0.00 175.10 177.35 2chs h VAL 43 N 4.96 1.49 -1.35 2.92 2.07 -1.28 -3.46 116.25 121.60 2chs h VAL 43 Ca -0.37 -1.78 0.34 0.00 0.82 0.00 0.00 66.70 65.71 2chs h VAL 43 Cb 1.16 2.55 -0.12 0.00 -1.52 0.00 0.00 31.29 33.36 2chs h VAL 43 CO 0.73 0.49 0.87 0.00 0.02 0.00 0.00 177.57 179.69 2chs s GLN 44 N -3.42 0.31 -0.02 1.57 -2.07 -1.24 -4.54 119.66 110.24 2chs s GLN 44 Ca -0.15 -0.17 -0.04 0.00 -1.82 0.00 0.00 55.36 53.17 2chs s GLN 44 Cb 0.02 0.10 0.00 0.00 -1.09 0.00 0.00 33.01 32.05 2chs s GLN 44 CO 0.75 -0.14 0.10 1.41 -1.32 0.00 0.00 175.29 176.08 2chs s MET 45 N -2.32 0.25 -0.04 9.60 1.75 -0.19 -1.42 119.30 126.93 2chs s MET 45 Ca 0.14 -0.11 0.06 0.00 -1.25 0.00 0.00 55.69 54.54 2chs s MET 45 Cb 0.06 0.11 -0.02 0.00 2.84 0.00 0.00 34.83 37.81 2chs s MET 45 CO -0.05 -0.05 -0.23 -0.51 -0.65 0.00 0.00 175.02 173.54 2chs s LEU 46 N -0.56 2.21 -0.08 4.11 1.43 -0.37 -2.18 118.68 123.24 2chs s LEU 46 Ca -0.06 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 2chs s LEU 46 Cb -0.04 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.80 2chs s LEU 46 CO 0.00 0.31 -0.13 -0.76 0.23 0.00 0.00 176.35 176.00 2chs s LEU 47 N -0.52 1.63 0.35 1.79 1.43 -0.65 -1.17 118.68 121.55 2chs s LEU 47 Ca 0.07 -0.34 0.09 0.00 -1.03 0.00 0.00 54.13 52.91 2chs s LEU 47 Cb -0.11 -0.92 -0.06 0.00 0.03 0.00 0.00 46.19 45.13 2chs s LEU 47 CO 0.00 0.02 0.01 -0.94 0.23 0.00 0.00 176.35 175.67 2chs s SER 48 N 0.84 4.08 -0.05 2.29 1.04 -0.65 -1.66 113.70 119.59 2chs s SER 48 Ca -0.11 -1.08 -0.10 0.00 0.48 0.00 0.00 55.95 55.14 2chs s SER 48 Cb -0.15 -0.48 0.02 0.00 0.10 0.00 0.00 66.02 65.51 2chs s SER 48 CO 0.01 -0.28 0.24 0.00 0.98 0.00 0.00 173.24 174.20 2chs s ALA 49 N -2.56 -0.60 0.56 5.32 0.00 -1.19 -2.15 121.76 121.14 2chs s ALA 49 Ca 0.35 0.41 -0.18 0.00 0.00 0.00 0.00 51.96 52.54 2chs s ALA 49 Cb 0.02 -0.16 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 2chs s ALA 49 CO 0.19 -0.18 1.08 0.95 0.00 0.00 0.00 175.76 177.80 2chs s THR 50 N -0.63 3.53 -2.00 0.00 -4.23 -1.00 -0.98 115.64 110.33 2chs s THR 50 Ca -0.07 0.84 0.12 0.00 -1.18 0.00 0.00 61.69 61.39 2chs s THR 50 Cb -0.04 -3.32 0.34 0.00 1.34 0.00 0.00 72.50 70.81 2chs s THR 50 CO 0.02 -0.32 1.13 -0.81 -0.54 0.00 0.00 174.62 174.10 2chs n PRO 51 N -1.64 0.41 -0.04 3.99 -0.04 -1.26 -1.20 135.00 135.23 2chs n PRO 51 Ca 0.10 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 2chs n PRO 51 Cb 0.52 -1.45 0.50 0.00 -0.04 0.00 0.00 33.50 33.03 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 -0.95 1.19 -4.26 3.54 5.68 -1.26 -4.82 116.55 115.67 2chs n ASP 52 Ca 0.09 -1.54 -0.33 0.00 -0.50 0.00 0.00 54.79 52.51 2chs n ASP 52 Cb 0.04 -0.05 -0.15 0.00 -1.14 0.00 0.00 41.12 39.82 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 -1.73 2.49 0.00 -2.12 1.43 -0.34 -4.87 118.68 113.55 2chs s LEU 53 Ca 0.35 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 2chs s LEU 53 Cb 0.18 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.83 2chs s LEU 53 CO 0.28 0.07 0.10 1.41 0.23 0.00 0.00 176.35 178.44 2chs n HIS 54 N 4.13 0.00 0.09 0.29 8.25 -1.26 -4.92 115.22 121.79 2chs n HIS 54 Ca -0.19 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.15 2chs n HIS 54 Cb 0.52 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.55 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 0.33 -2.75 -1.41 0.00 -1.90 -3.47 119.26 110.07 2chs h ALA 55 Ca 0.00 -0.80 0.03 0.00 0.00 0.00 0.00 54.91 54.14 2chs h ALA 55 Cb 0.22 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 17.83 2chs h ALA 55 CO 0.00 0.96 0.31 0.54 0.00 0.00 0.00 179.25 181.06 2chs s VAL 56 N -2.97 0.00 0.25 0.00 0.11 -1.26 -4.72 120.40 111.80 2chs s VAL 56 Ca -0.03 -0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 58.70 2chs s VAL 56 Cb 0.09 -1.03 -0.09 0.00 -1.53 0.00 0.00 36.38 33.82 2chs s VAL 56 CO 0.85 0.00 1.29 -0.36 -3.33 0.00 0.00 175.10 173.56 2chs s PHE 57 N -3.53 3.21 0.36 1.54 0.08 -1.26 -4.95 117.98 113.43 2chs s PHE 57 Ca 0.03 1.32 0.04 0.00 0.12 0.00 0.00 56.93 58.44 2chs s PHE 57 Cb -0.01 -3.61 0.71 0.00 -0.57 0.00 0.00 43.02 39.54 2chs s PHE 57 CO -0.11 -1.78 2.00 -1.35 -0.10 0.00 0.00 175.22 173.88 2chs h PRO 58 N 4.58 0.76 0.00 0.24 0.11 -1.94 -3.08 132.00 132.67 2chs h PRO 58 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2chs h PRO 58 Cb 1.22 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2chs h PRO 58 CO 0.73 0.50 0.65 0.00 -0.21 0.00 0.00 178.00 179.67 2chs h ALA 59 N 1.63 1.65 0.00 -0.75 0.00 -1.94 -0.11 119.26 119.74 2chs h ALA 59 Ca 0.24 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 2chs h ALA 59 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2chs h ALA 59 CO -0.06 -0.65 -0.22 -0.22 0.00 0.00 0.00 179.25 178.09 2chs h LYS 60 N 0.00 0.00 0.00 0.00 3.64 -1.95 -2.18 116.57 116.08 2chs h LYS 60 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2chs h LYS 60 Cb 1.30 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2chs h LYS 60 CO 0.00 0.22 -0.09 0.00 -2.27 0.00 0.00 179.45 177.31 2chs h ALA 61 N 1.78 1.01 -0.02 5.00 0.00 -1.25 -2.91 119.26 122.86 2chs h ALA 61 Ca -0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2chs h ALA 61 Cb 0.92 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2chs h ALA 61 CO 0.03 0.12 -0.45 0.28 0.00 0.00 0.00 179.25 179.23 2chs h VAL 62 N 0.00 1.33 -0.34 0.00 2.07 -1.53 -3.00 116.25 114.79 2chs h VAL 62 Ca -0.00 -1.57 -0.03 0.00 0.82 0.00 0.00 66.70 65.92 2chs h VAL 62 Cb 0.65 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 2chs h VAL 62 CO 0.01 0.45 0.07 0.03 0.02 0.00 0.00 177.57 178.16 2chs h ARG 63 N 0.04 0.49 -0.01 1.57 3.08 -1.60 -2.63 114.38 115.31 2chs h ARG 63 Ca -0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2chs h ARG 63 Cb 0.82 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 2chs h ARG 63 CO 0.06 0.46 0.01 0.93 -1.07 0.00 0.00 179.97 180.36 2chs h GLU 64 N 0.48 0.00 -6.37 0.04 5.08 -1.64 -3.41 114.58 108.76 2chs h GLU 64 Ca 0.11 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.91 2chs h GLU 64 Cb 0.20 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 2chs h GLU 64 CO -0.00 0.00 1.00 -0.51 -1.00 0.00 0.00 179.01 178.50 2chs s LEU 65 N -9.06 3.84 -0.05 1.33 1.43 -0.99 -4.92 118.68 110.27 2chs s LEU 65 Ca -0.05 1.19 -0.37 0.00 -1.03 0.00 0.00 54.13 53.86 2chs s LEU 65 Cb 0.17 -3.54 -0.15 0.00 0.03 0.00 0.00 46.19 42.70 2chs s LEU 65 CO 0.67 -1.14 1.57 -1.20 0.23 0.00 0.00 176.35 176.47 2chs n SER 66 N 7.86 2.29 0.00 2.29 7.64 -1.26 -1.25 113.62 131.19 2chs n SER 66 Ca 0.15 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.12 2chs n SER 66 Cb 0.47 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 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 3.41 1.58 1.73 0.23 0.00 -1.26 -4.88 105.19 106.00 2chs n GLY 67 Ca 0.21 0.00 0.08 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 1.82 0.55 1.61 7.02 -0.38 -4.58 117.44 121.48 2chs n TRP 68 Ca 0.00 -0.70 0.11 0.00 -1.02 0.00 0.00 57.50 55.89 2chs n TRP 68 Cb 0.00 -0.42 0.44 0.00 -2.42 0.00 0.00 31.31 28.92 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 0.69 0.13 -0.03 -0.99 0.00 -1.26 -2.46 117.38 113.46 2chs n GLN 69 Ca 0.27 0.28 0.06 0.00 0.00 0.00 0.00 57.00 57.61 2chs n GLN 69 Cb 1.09 -1.71 0.07 0.00 0.00 0.00 0.00 30.24 29.69 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 -1.94 0.08 -2.12 2.61 4.01 -1.26 -4.96 117.16 113.57 2chs n TYR 70 Ca 0.04 -0.08 -0.42 0.00 -0.16 0.00 0.00 57.90 57.28 2chs n TYR 70 Cb 0.27 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.27 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 -1.06 3.65 0.04 -0.72 1.01 -1.03 -4.97 120.40 117.32 2chs s VAL 71 Ca 0.17 0.92 -0.30 0.00 0.00 0.00 0.00 61.98 62.76 2chs s VAL 71 Cb 0.11 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 2chs s VAL 71 CO 0.16 -0.05 1.15 -2.16 0.00 0.00 0.00 175.10 174.21 2chs s PRO 72 N 3.26 4.45 0.01 2.72 0.04 -1.26 -4.94 135.00 139.28 2chs s PRO 72 Ca 0.68 1.69 0.01 0.00 0.04 0.00 0.00 61.00 63.42 2chs s PRO 72 Cb -0.32 -3.38 -0.01 0.00 0.04 0.00 0.00 34.50 30.83 2chs s PRO 72 CO 0.27 -0.22 -0.04 0.14 0.04 0.00 0.00 177.00 177.18 2chs s VAL 73 N 1.12 0.30 0.02 -0.36 -7.23 -1.26 -1.02 120.40 111.97 2chs s VAL 73 Ca 0.57 -0.40 -0.18 0.00 -1.81 0.00 0.00 61.98 60.16 2chs s VAL 73 Cb -0.27 -0.30 0.03 0.00 0.56 0.00 0.00 36.38 36.40 2chs s VAL 73 CO 0.28 -0.07 0.39 0.28 -0.31 0.00 0.00 175.10 175.67 2chs s THR 74 N -0.48 0.06 0.16 5.32 -1.32 -0.92 -4.98 115.64 113.47 2chs s THR 74 Ca -0.03 -0.46 0.02 0.00 -1.21 0.00 0.00 61.69 60.02 2chs s THR 74 Cb -0.04 -0.88 -0.04 0.00 -1.51 0.00 0.00 72.50 70.04 2chs s THR 74 CO -0.00 -0.25 0.29 0.00 -2.21 0.00 0.00 174.62 172.45 2chs s MET 76 N -3.28 1.17 -0.09 0.00 0.23 -0.67 -4.92 119.30 111.75 2chs s MET 76 Ca 0.35 -1.46 -0.12 0.00 -1.03 0.00 0.00 55.69 53.42 2chs s MET 76 Cb -0.11 0.31 -0.05 0.00 -1.53 0.00 0.00 34.83 33.45 2chs s MET 76 CO 0.29 -0.40 0.30 -1.14 -2.03 0.00 0.00 175.02 172.04 2chs s GLN 77 N -4.08 3.92 0.37 3.16 0.74 -1.26 -3.15 119.66 119.35 2chs s GLN 77 Ca 0.30 0.16 -0.24 0.00 0.05 0.00 0.00 55.36 55.62 2chs s GLN 77 Cb 0.05 -3.29 -0.10 0.00 1.10 0.00 0.00 33.01 30.78 2chs s GLN 77 CO 0.07 0.55 0.99 -2.00 -0.55 0.00 0.00 175.29 174.35 2chs s GLU 78 N -0.50 4.37 0.37 1.67 2.56 -0.15 -4.88 118.70 122.14 2chs s GLU 78 Ca 0.19 1.37 -0.26 0.00 0.00 0.00 0.00 54.97 56.26 2chs s GLU 78 Cb -0.14 -2.60 -0.09 0.00 2.00 0.00 0.00 34.13 33.30 2chs s GLU 78 CO 0.08 0.07 1.18 0.00 -0.56 0.00 0.00 175.26 176.02 2chs s MET 79 N -2.40 4.19 -0.45 4.30 0.23 -1.26 -4.51 119.30 119.40 2chs s MET 79 Ca 0.55 1.90 -0.27 0.00 -1.03 0.00 0.00 55.69 56.83 2chs s MET 79 Cb -0.18 -2.81 0.03 0.00 -1.53 0.00 0.00 34.83 30.33 2chs s MET 79 CO 0.24 -0.22 1.04 0.34 -2.03 0.00 0.00 175.02 174.39 2chs s ASP 80 N -0.99 6.61 -0.02 -1.18 2.15 -1.26 -4.97 116.67 117.01 2chs s ASP 80 Ca 0.54 0.40 0.02 0.00 0.43 0.00 0.00 52.55 53.94 2chs s ASP 80 Cb -0.32 -2.51 -0.03 0.00 -0.30 0.00 0.00 42.92 39.76 2chs s ASP 80 CO 0.41 -1.12 -0.06 -0.69 -0.17 0.00 0.00 175.17 173.54 2chs s VAL 81 N 4.07 3.71 0.09 1.11 1.01 -1.26 -5.07 120.40 124.06 2chs s VAL 81 Ca 0.43 -0.68 -0.31 0.00 0.00 0.00 0.00 61.98 61.43 2chs s VAL 81 Cb -0.09 -2.59 -0.07 0.00 0.00 0.00 0.00 36.38 33.63 2chs s VAL 81 CO 0.28 0.45 1.38 -0.89 0.00 0.00 0.00 175.10 176.32 2chs s THR 82 N -0.95 3.42 0.00 3.92 2.01 -1.26 -1.57 115.64 121.20 2chs s THR 82 Ca 0.16 0.99 0.00 0.00 0.31 0.00 0.00 61.69 63.15 2chs s THR 82 Cb -0.11 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.76 2chs s THR 82 CO 0.06 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 2chs n GLY 83 N 3.50 0.79 3.77 4.40 0.00 -1.26 -4.99 105.19 111.41 2chs n GLY 83 Ca 0.12 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 -2.00 2.13 0.16 -0.02 0.00 -0.61 -4.95 107.32 102.04 2chs s GLY 84 Ca 0.00 0.52 -0.32 0.00 0.00 0.00 0.00 44.72 44.93 2chs s GLY 84 CO 0.00 0.87 1.60 -2.27 0.00 0.00 0.00 173.10 173.30 2chs s LEU 85 N -4.90 4.37 0.60 0.66 2.96 -1.26 -4.99 118.68 116.12 2chs s LEU 85 Ca 0.66 2.64 -0.08 0.00 -0.22 0.00 0.00 54.13 57.13 2chs s LEU 85 Cb -0.20 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.89 2chs s LEU 85 CO 0.42 -0.85 0.96 -0.54 -1.32 0.00 0.00 176.35 175.02 2chs s LYS 86 N 1.30 3.19 -1.52 1.98 -0.14 -1.26 -4.27 119.74 119.02 2chs s LYS 86 Ca 0.71 0.33 -0.02 0.00 -1.36 0.00 0.00 55.97 55.64 2chs s LYS 86 Cb -0.44 -2.19 0.01 0.00 -1.68 0.00 0.00 37.83 33.54 2chs s LYS 86 CO 0.31 -0.65 0.19 1.63 -0.76 0.00 0.00 175.35 176.07 2chs n LYS 87 N -2.66 -1.80 -4.40 1.68 5.02 -1.26 -4.79 118.16 109.95 2chs n LYS 87 Ca 0.05 0.21 -0.34 0.00 -2.02 0.00 0.00 58.31 56.20 2chs n LYS 87 Cb 0.56 -3.99 -0.10 0.00 -0.02 0.00 0.00 35.03 31.47 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 -0.53 2.16 0.19 0.00 1.01 0.02 -2.38 121.20 121.68 2chs s ILE 89 Ca 0.09 -0.91 0.10 0.00 0.00 0.00 0.00 60.65 59.93 2chs s ILE 89 Cb -0.12 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 2chs s ILE 89 CO 0.02 0.53 -0.15 -0.13 0.00 0.00 0.00 174.94 175.21 2chs s ARG 90 N 1.27 1.86 0.03 2.79 0.52 -0.91 -1.70 118.95 122.80 2chs s ARG 90 Ca 0.04 -1.39 0.04 0.00 -0.52 0.00 0.00 55.73 53.90 2chs s ARG 90 Cb -0.13 -2.03 -0.02 0.00 0.52 0.00 0.00 34.95 33.29 2chs s ARG 90 CO -0.12 0.42 -0.11 0.54 0.02 0.00 0.00 175.30 176.05 2chs s VAL 91 N -1.75 0.86 -0.25 3.52 0.11 -0.05 -1.64 120.40 121.20 2chs s VAL 91 Ca 0.24 -0.82 0.01 0.00 -2.93 0.00 0.00 61.98 58.48 2chs s VAL 91 Cb -0.08 -0.79 0.07 0.00 -1.53 0.00 0.00 36.38 34.04 2chs s VAL 91 CO 0.13 -0.02 -0.05 -0.32 -3.33 0.00 0.00 175.10 171.52 2chs s MET 92 N -0.94 1.71 -0.20 1.54 1.75 -0.32 -2.29 119.30 120.56 2chs s MET 92 Ca -0.00 -1.16 -0.05 0.00 -1.25 0.00 0.00 55.69 53.23 2chs s MET 92 Cb -0.07 -2.68 -0.03 0.00 2.84 0.00 0.00 34.83 34.89 2chs s MET 92 CO 0.01 -0.64 0.01 1.41 -0.65 0.00 0.00 175.02 175.15 2chs s MET 93 N 1.29 3.65 -0.29 4.11 1.75 -0.46 -1.24 119.30 128.11 2chs s MET 93 Ca -0.04 -0.50 -0.11 0.00 -1.25 0.00 0.00 55.69 53.78 2chs s MET 93 Cb -0.19 -3.09 -0.04 0.00 2.84 0.00 0.00 34.83 34.35 2chs s MET 93 CO -0.07 0.05 0.19 0.99 -0.65 0.00 0.00 175.02 175.53 2chs s THR 94 N 0.92 5.24 0.19 10.11 2.01 -0.51 -1.32 115.64 132.27 2chs s THR 94 Ca 0.01 0.06 0.09 0.00 0.31 0.00 0.00 61.69 62.16 2chs s THR 94 Cb -0.14 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 2chs s THR 94 CO 0.02 0.19 -0.19 0.68 -0.69 0.00 0.00 174.62 174.63 2chs s VAL 95 N 1.74 1.98 -0.17 3.82 -7.23 -0.52 -0.79 120.40 119.22 2chs s VAL 95 Ca 0.07 -2.03 -0.28 0.00 -1.81 0.00 0.00 61.98 57.92 2chs s VAL 95 Cb -0.16 -1.97 -0.00 0.00 0.56 0.00 0.00 36.38 34.80 2chs s VAL 95 CO 0.10 -0.33 0.98 -1.58 -0.31 0.00 0.00 175.10 173.97 2chs s GLN 96 N -2.97 4.32 0.08 4.82 0.74 0.86 -1.07 119.66 126.44 2chs s GLN 96 Ca 0.19 1.29 -0.26 0.00 0.05 0.00 0.00 55.36 56.64 2chs s GLN 96 Cb -0.05 -3.59 0.08 0.00 1.10 0.00 0.00 33.01 30.55 2chs s GLN 96 CO 0.08 -0.45 0.70 -0.08 -0.55 0.00 0.00 175.29 174.99 2chs s THR 97 N 2.56 0.00 -0.07 -0.34 -1.32 -0.90 -4.95 115.64 110.62 2chs s THR 97 Ca 0.44 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 61.09 2chs s THR 97 Cb -0.16 -1.00 -0.25 0.00 -1.51 0.00 0.00 72.50 69.58 2chs s THR 97 CO 0.12 0.00 0.27 -0.67 -2.21 0.00 0.00 174.62 172.13 2chs n ASP 98 N -0.16 0.98 -4.72 8.08 2.03 -1.26 -2.83 116.55 118.67 2chs n ASP 98 Ca -0.15 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.74 2chs n ASP 98 Cb 0.63 1.50 -0.03 0.00 -0.72 0.00 0.00 41.12 42.50 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 -2.94 2.09 0.86 5.18 1.01 -1.26 -4.93 120.40 120.41 2chs s VAL 99 Ca -0.07 0.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.84 2chs s VAL 99 Cb 0.09 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.43 2chs s VAL 99 CO 0.71 0.01 0.44 -2.65 0.00 0.00 0.00 175.10 173.60 2chs n PRO 100 N 3.69 -0.03 -0.34 2.72 -0.02 -1.26 -4.80 135.00 134.96 2chs n PRO 100 Ca 0.14 0.04 0.01 0.00 -2.02 0.00 0.00 63.50 61.68 2chs n PRO 100 Cb 0.36 -1.83 0.18 0.00 -0.02 0.00 0.00 33.50 32.19 2chs n PRO 100 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2chs h GLN 101 N -1.05 1.14 0.00 -0.52 4.15 -1.98 -0.66 115.11 116.18 2chs h GLN 101 Ca -0.44 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 58.91 2chs h GLN 101 Cb 1.31 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.74 2chs h GLN 101 CO 0.37 0.75 0.00 -0.40 -1.93 0.00 0.00 178.83 177.63 2chs n ASP 102 N -4.45 0.00 -0.01 -0.69 5.75 -1.26 -3.37 116.55 112.52 2chs n ASP 102 Ca 0.13 0.34 0.11 0.00 -0.01 0.00 0.00 54.79 55.36 2chs n ASP 102 Cb 0.12 -0.44 -0.16 0.00 -1.03 0.00 0.00 41.12 39.61 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 -1.44 0.49 -1.75 0.11 6.02 -0.28 -4.97 117.38 115.55 2chs n GLN 103 Ca 0.08 -0.15 -0.42 0.00 -0.01 0.00 0.00 57.00 56.51 2chs n GLN 103 Cb 0.28 -1.52 -0.01 0.00 1.02 0.00 0.00 30.24 30.01 2chs n GLN 103 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2chs n ILE 104 N -2.07 1.03 -3.30 5.09 2.08 -1.04 -4.94 119.36 116.21 2chs n ILE 104 Ca -0.02 -0.26 -0.45 0.00 0.56 0.00 0.00 62.75 62.58 2chs n ILE 104 Cb 0.51 -1.99 -0.06 0.00 -0.75 0.00 0.00 39.64 37.35 2chs n ILE 104 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 2chs s ARG 105 N -0.53 3.01 0.04 0.38 0.52 -1.26 -5.03 118.95 116.08 2chs s ARG 105 Ca 0.64 -1.38 -0.26 0.00 -0.52 0.00 0.00 55.73 54.20 2chs s ARG 105 Cb -0.49 -4.19 -0.05 0.00 0.52 0.00 0.00 34.95 30.74 2chs s ARG 105 CO 0.49 -1.20 0.82 -1.01 0.02 0.00 0.00 175.30 174.42 2chs s HIS 106 N 1.89 3.72 -0.28 -0.53 3.76 -1.26 -4.81 115.29 117.79 2chs s HIS 106 Ca 0.06 1.53 -0.03 0.00 -0.15 0.00 0.00 55.06 56.47 2chs s HIS 106 Cb -0.25 -2.90 0.03 0.00 1.11 0.00 0.00 32.58 30.57 2chs s HIS 106 CO 0.06 0.21 -0.00 0.08 -0.85 0.00 0.00 174.74 174.24 2chs s VAL 107 N 0.18 3.23 -0.13 -0.90 1.01 -0.63 -4.99 120.40 118.17 2chs s VAL 107 Ca 0.41 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.37 2chs s VAL 107 Cb -0.21 -2.71 -0.00 0.00 0.00 0.00 0.00 36.38 33.46 2chs s VAL 107 CO 0.24 0.07 -0.17 -0.31 0.00 0.00 0.00 175.10 174.93 2chs s TYR 108 N 1.36 2.73 0.31 5.22 2.02 -1.26 -2.18 117.35 125.54 2chs s TYR 108 Ca -0.01 -0.93 0.03 0.00 -0.37 0.00 0.00 57.07 55.79 2chs s TYR 108 Cb -0.18 -1.83 -0.06 0.00 -0.40 0.00 0.00 41.96 39.49 2chs s TYR 108 CO -0.01 -0.39 0.07 -0.51 -1.57 0.00 0.00 175.55 173.14 2chs s LEU 109 N 0.56 2.01 0.00 -1.29 1.43 0.23 -4.39 118.68 117.23 2chs s LEU 109 Ca -0.10 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 51.61 2chs s LEU 109 Cb -0.16 -0.25 0.00 0.00 0.03 0.00 0.00 46.19 45.81 2chs s LEU 109 CO 0.04 -0.65 0.00 -0.62 0.23 0.00 0.00 176.35 175.35 2chs n GLU 110 N -0.62 0.00 0.17 1.70 -0.58 -1.26 -1.02 120.64 119.03 2chs n GLU 110 Ca -0.02 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.86 2chs n GLU 110 Cb 0.66 0.00 0.48 0.00 -0.57 0.00 0.00 31.44 32.01 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 -2.73 116.57 116.97 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 -1.89 2.33 0.36 3.86 0.00 -0.18 -3.49 120.51 121.49 2chs n ALA 112 Ca 0.03 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.46 2chs n ALA 112 Cb 0.33 -1.20 0.29 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.75 1.17 0.32 0.00 0.24 -1.03 -3.15 118.33 115.13 2chs n VAL 113 Ca 0.09 0.32 0.00 0.00 -2.04 0.00 0.00 64.34 62.71 2chs n VAL 113 Cb 0.04 -1.17 0.00 0.00 -1.47 0.00 0.00 33.84 31.24 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 -1.67 0.00 -0.29 3.34 3.14 -1.23 -5.03 118.33 116.59 2chs n VAL 114 Ca 0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 2chs n VAL 114 Cb 0.14 -0.25 0.00 0.00 -1.06 0.00 0.00 33.84 32.67 2chs n VAL 114 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55