#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 3.03 0.01 1.12 1.09 -1.26 -0.51 121.20 124.68 2chs s ILE 3 Ca 0.00 -0.71 -0.02 0.00 -1.10 0.00 0.00 60.65 58.82 2chs s ILE 3 Cb 0.00 -2.21 -0.01 0.00 -1.06 0.00 0.00 42.46 39.17 2chs s ILE 3 CO 0.00 0.57 0.01 -0.13 -0.10 0.00 0.00 174.94 175.29 2chs s ARG 4 N -0.35 0.31 0.35 2.79 0.52 -0.62 -4.93 118.95 117.01 2chs s ARG 4 Ca 0.03 -0.47 -0.14 0.00 -0.52 0.00 0.00 55.73 54.63 2chs s ARG 4 Cb -0.12 0.11 -0.09 0.00 0.52 0.00 0.00 34.95 35.37 2chs s ARG 4 CO 0.02 -0.06 0.76 0.20 0.02 0.00 0.00 175.30 176.24 2chs s GLY 5 N -1.23 2.26 -0.06 -3.53 0.00 -1.26 -1.57 107.32 101.93 2chs s GLY 5 Ca -0.13 0.02 0.03 0.00 0.00 0.00 0.00 44.72 44.64 2chs s GLY 5 CO -0.00 0.23 -0.16 -0.42 0.00 0.00 0.00 173.10 172.74 2chs s ILE 6 N -2.07 1.36 0.11 0.90 1.01 0.67 -4.95 121.20 118.23 2chs s ILE 6 Ca 0.54 -0.65 0.06 0.00 0.00 0.00 0.00 60.65 60.60 2chs s ILE 6 Cb -0.10 -1.19 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 2chs s ILE 6 CO 0.20 0.40 -0.03 -0.13 0.00 0.00 0.00 174.94 175.38 2chs s ARG 7 N 0.30 2.39 0.19 2.79 1.81 -1.26 -0.92 118.95 124.25 2chs s ARG 7 Ca -0.09 -0.93 -0.14 0.00 -1.72 0.00 0.00 55.73 52.85 2chs s ARG 7 Cb -0.14 -2.44 0.01 0.00 -0.45 0.00 0.00 34.95 31.93 2chs s ARG 7 CO 0.03 0.52 0.43 0.20 -0.68 0.00 0.00 175.30 175.80 2chs s GLY 8 N -2.36 0.20 -0.23 -3.53 0.00 -0.72 -1.74 107.32 98.93 2chs s GLY 8 Ca 0.25 -0.56 -0.26 0.00 0.00 0.00 0.00 44.72 44.15 2chs s GLY 8 CO 0.17 -0.52 0.81 0.00 0.00 0.00 0.00 173.10 173.55 2chs s ALA 9 N -3.93 -1.84 0.33 3.20 0.00 -0.32 -1.61 121.76 117.59 2chs s ALA 9 Ca 0.14 1.86 0.00 0.00 0.00 0.00 0.00 51.96 53.96 2chs s ALA 9 Cb 0.01 -1.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.08 2chs s ALA 9 CO -0.00 -0.32 0.39 -0.08 0.00 0.00 0.00 175.76 175.75 2chs s THR 10 N 0.01 0.00 0.09 0.00 -1.32 -0.98 -1.18 115.64 112.27 2chs s THR 10 Ca -0.01 -1.75 0.04 0.00 -1.21 0.00 0.00 61.69 58.76 2chs s THR 10 Cb -0.04 -2.57 -0.04 0.00 -1.51 0.00 0.00 72.50 68.34 2chs s THR 10 CO 0.01 0.00 -0.10 0.42 -2.21 0.00 0.00 174.62 172.74 2chs s THR 11 N -3.29 0.93 0.08 5.08 -4.23 -1.25 -1.95 115.64 111.01 2chs s THR 11 Ca 0.34 -1.62 0.09 0.00 -1.18 0.00 0.00 61.69 59.32 2chs s THR 11 Cb 0.01 -1.33 -0.04 0.00 1.34 0.00 0.00 72.50 72.48 2chs s THR 11 CO 0.22 -0.55 -0.21 0.68 -0.54 0.00 0.00 174.62 174.22 2chs s VAL 12 N -2.40 2.63 0.16 2.29 -7.23 -0.53 -4.84 120.40 110.47 2chs s VAL 12 Ca 0.05 -1.42 -0.06 0.00 -1.81 0.00 0.00 61.98 58.73 2chs s VAL 12 Cb -0.03 -2.14 -0.08 0.00 0.56 0.00 0.00 36.38 34.68 2chs s VAL 12 CO -0.00 0.22 1.44 -0.33 -0.31 0.00 0.00 175.10 176.12 2chs h GLU 13 N 4.18 0.64 -3.88 4.82 4.39 -1.96 -3.45 114.58 119.32 2chs h GLU 13 Ca -0.49 -0.44 -0.09 0.00 0.34 0.00 0.00 59.36 58.68 2chs h GLU 13 Cb 1.16 0.06 -0.14 0.00 -0.10 0.00 0.00 28.75 29.73 2chs h GLU 13 CO 0.45 1.06 -0.44 1.03 -1.16 0.00 0.00 179.01 179.95 2chs s ARG 14 N -3.94 0.78 -1.22 2.33 0.52 -1.26 -5.08 118.95 111.08 2chs s ARG 14 Ca -0.08 -0.99 -0.10 0.00 -0.52 0.00 0.00 55.73 54.04 2chs s ARG 14 Cb 0.11 0.31 0.20 0.00 0.52 0.00 0.00 34.95 36.08 2chs s ARG 14 CO 0.86 -0.23 1.65 -3.47 0.02 0.00 0.00 175.30 174.13 2chs n ASP 15 N 0.04 5.35 -4.45 0.23 2.03 -1.26 -4.63 116.55 113.85 2chs n ASP 15 Ca -0.15 -3.11 -0.23 0.00 0.52 0.00 0.00 54.79 51.82 2chs n ASP 15 Cb 0.62 -1.47 -0.10 0.00 -0.72 0.00 0.00 41.12 39.45 2chs n ASP 15 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2chs s THR 16 N 0.14 2.17 0.13 5.18 -1.32 -1.26 -4.66 115.64 116.03 2chs s THR 16 Ca 0.39 -2.29 -0.14 0.00 -1.21 0.00 0.00 61.69 58.43 2chs s THR 16 Cb 0.04 -2.33 -0.00 0.00 -1.51 0.00 0.00 72.50 68.70 2chs s THR 16 CO 0.01 -0.39 1.61 -0.08 -2.21 0.00 0.00 174.62 173.56 2chs h GLU 17 N 2.29 0.72 -0.35 7.08 4.81 -1.92 -2.90 114.58 124.30 2chs h GLU 17 Ca -0.40 -0.20 0.04 0.00 -0.13 0.00 0.00 59.36 58.67 2chs h GLU 17 Cb 1.25 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 2chs h GLU 17 CO 0.63 0.77 0.11 0.93 -0.73 0.00 0.00 179.01 180.72 2chs h GLU 18 N 0.58 0.25 0.21 1.92 5.08 -1.97 -1.32 114.58 119.32 2chs h GLU 18 Ca 0.13 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2chs h GLU 18 Cb 0.40 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2chs h GLU 18 CO 0.01 0.16 -0.10 1.49 -1.00 0.00 0.00 179.01 179.58 2chs h GLU 19 N 0.26 -0.27 -0.40 2.33 4.57 -1.88 -1.70 114.58 117.48 2chs h GLU 19 Ca 0.16 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.36 2chs h GLU 19 Cb 0.14 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 2chs h GLU 19 CO -0.17 -0.09 0.24 0.82 -1.18 0.00 0.00 179.01 178.62 2chs h ILE 20 N -0.39 1.13 -0.15 2.32 2.04 -1.35 -0.68 117.51 120.43 2chs h ILE 20 Ca -0.03 -0.32 -0.10 0.00 1.00 0.00 0.00 64.86 65.42 2chs h ILE 20 Cb 0.30 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2chs h ILE 20 CO 0.05 0.14 -0.33 -0.07 0.00 0.00 0.00 178.15 177.93 2chs h LEU 21 N 0.53 0.32 0.05 1.44 3.38 -1.21 -1.71 115.31 118.11 2chs h LEU 21 Ca 0.14 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2chs h LEU 21 Cb 0.01 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2chs h LEU 21 CO -0.03 0.64 -0.02 -0.61 0.09 0.00 0.00 178.44 178.51 2chs h GLN 22 N 0.27 -0.06 -0.71 1.13 4.15 -0.81 -0.79 115.11 118.29 2chs h GLN 22 Ca 0.03 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.48 2chs h GLN 22 Cb 0.72 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.38 2chs h GLN 22 CO 0.05 0.47 0.45 0.87 -1.93 0.00 0.00 178.83 178.75 2chs h LYS 23 N -0.65 0.86 -0.13 1.69 1.79 -1.14 -1.28 116.57 117.71 2chs h LYS 23 Ca -0.01 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 2chs h LYS 23 Cb 0.57 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 2chs h LYS 23 CO 0.01 0.57 0.05 1.15 -1.08 0.00 0.00 179.45 180.15 2chs h THR 24 N 0.89 1.16 -0.86 -0.16 2.02 -1.34 -2.03 112.91 112.58 2chs h THR 24 Ca 0.28 -0.47 0.10 0.00 0.77 0.00 0.00 66.41 67.09 2chs h THR 24 Cb -0.00 1.23 -0.06 0.00 -1.74 0.00 0.00 68.15 67.58 2chs h THR 24 CO -0.10 0.14 0.56 0.50 0.37 0.00 0.00 175.52 176.99 2chs h LYS 25 N 0.05 0.80 -0.24 6.66 3.64 -0.48 0.07 116.57 127.06 2chs h LYS 25 Ca 0.04 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 2chs h LYS 25 Cb 0.18 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2chs h LYS 25 CO -0.00 0.53 -0.23 1.96 -2.27 0.00 0.00 179.45 179.43 2chs h GLN 26 N 0.82 0.58 -0.22 1.90 4.20 -1.15 -0.49 115.11 120.76 2chs h GLN 26 Ca 0.40 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2chs h GLN 26 Cb 0.44 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2chs h GLN 26 CO -0.17 0.90 0.14 1.25 -0.67 0.00 0.00 178.83 180.28 2chs h LEU 27 N 0.29 0.24 -1.17 1.46 5.85 -0.60 -0.16 115.31 121.23 2chs h LEU 27 Ca 0.04 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2chs h LEU 27 Cb 0.79 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 2chs h LEU 27 CO 0.06 0.17 0.37 -0.07 -0.34 0.00 0.00 178.44 178.63 2chs h LEU 28 N 0.29 0.84 -0.60 2.25 3.38 -0.90 -1.87 115.31 118.69 2chs h LEU 28 Ca 0.08 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 2chs h LEU 28 Cb -0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2chs h LEU 28 CO -0.02 0.69 -0.32 -0.33 0.09 0.00 0.00 178.44 178.55 2chs h GLU 29 N 0.95 0.76 -0.45 1.13 5.08 -0.19 -2.00 114.58 119.86 2chs h GLU 29 Ca 0.24 -0.35 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 2chs h GLU 29 Cb 0.03 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2chs h GLU 29 CO -0.04 0.97 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.68 2chs h LYS 30 N 0.64 0.82 -0.54 2.33 1.63 -0.73 -0.38 116.57 120.35 2chs h LYS 30 Ca 0.07 -0.28 0.03 0.00 -0.85 0.00 0.00 60.65 59.62 2chs h LYS 30 Cb 0.85 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.38 2chs h LYS 30 CO 0.07 0.90 0.30 0.82 -3.45 0.00 0.00 179.45 178.10 2chs h ILE 31 N 0.66 1.01 -0.37 2.00 2.04 -1.25 -0.66 117.51 120.96 2chs h ILE 31 Ca 0.12 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 2chs h ILE 31 Cb 0.56 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 2chs h ILE 31 CO 0.03 0.11 0.13 0.40 0.00 0.00 0.00 178.15 178.82 2chs h ILE 32 N 0.59 1.20 0.15 -0.67 2.04 -0.99 -1.40 117.51 118.44 2chs h ILE 32 Ca 0.22 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 2chs h ILE 32 Cb 0.07 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2chs h ILE 32 CO -0.12 0.23 -0.17 -0.08 0.00 0.00 0.00 178.15 178.01 2chs h GLU 33 N 0.44 -0.31 -0.76 2.37 4.81 -0.81 0.20 114.58 120.53 2chs h GLU 33 Ca 0.12 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.46 2chs h GLU 33 Cb 0.23 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.60 2chs h GLU 33 CO -0.01 -0.20 0.41 0.93 -0.73 0.00 0.00 179.01 179.41 2chs h GLU 34 N -0.32 0.67 -0.41 1.92 4.39 -1.09 -2.67 114.58 117.08 2chs h GLU 34 Ca -0.02 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2chs h GLU 34 Cb 0.28 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2chs h GLU 34 CO -0.03 0.45 0.00 0.09 -1.16 0.00 0.00 179.01 178.35 2chs n ASN 35 N -4.80 3.38 -3.75 1.42 3.02 -0.53 -4.90 115.26 109.11 2chs n ASN 35 Ca 0.12 -1.96 -0.29 0.00 -0.03 0.00 0.00 54.58 52.42 2chs n ASN 35 Cb 0.26 -0.26 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 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 1.36 -2.12 -2.27 3.10 8.25 0.68 -4.90 115.22 119.32 2chs n HIS 36 Ca 0.18 0.77 -0.42 0.00 -0.26 0.00 0.00 57.72 57.99 2chs n HIS 36 Cb 0.57 -3.71 -0.03 0.00 1.12 0.00 0.00 29.99 27.95 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 -3.20 3.78 0.02 1.59 2.01 -1.05 -5.02 115.64 113.76 2chs s THR 37 Ca 0.59 1.19 -0.08 0.00 0.31 0.00 0.00 61.69 63.69 2chs s THR 37 Cb -0.30 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 2chs s THR 37 CO 0.72 0.02 0.31 -0.54 -0.69 0.00 0.00 174.62 174.45 2chs s LYS 38 N 2.04 3.66 0.25 4.92 -0.14 -1.26 -4.93 119.74 124.29 2chs s LYS 38 Ca 0.62 0.04 -0.03 0.00 -1.36 0.00 0.00 55.97 55.24 2chs s LYS 38 Cb -0.31 -3.08 0.43 0.00 -1.68 0.00 0.00 37.83 33.19 2chs s LYS 38 CO 0.27 0.64 1.82 -1.00 -0.76 0.00 0.00 175.35 176.32 2chs h PRO 39 N 4.06 0.85 0.00 -1.68 0.13 -1.95 -1.69 132.00 131.72 2chs h PRO 39 Ca -0.50 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2chs h PRO 39 Cb 1.20 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2chs h PRO 39 CO 0.65 0.56 0.00 -0.85 -0.23 0.00 0.00 178.00 178.13 2chs n GLU 40 N -4.69 0.03 0.00 0.86 0.00 -1.26 -2.15 120.64 113.43 2chs n GLU 40 Ca 0.15 0.34 0.12 0.00 0.00 0.00 0.00 57.16 57.76 2chs n GLU 40 Cb 0.28 -1.50 0.17 0.00 0.00 0.00 0.00 31.44 30.39 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 -1.43 1.79 -4.58 -1.84 8.00 -0.63 -4.87 116.55 112.98 2chs n ASP 41 Ca 0.02 -1.38 -0.43 0.00 0.71 0.00 0.00 54.79 53.72 2chs n ASP 41 Cb 0.07 0.27 -0.05 0.00 -0.02 0.00 0.00 41.12 41.40 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 -2.39 4.63 0.07 2.53 1.01 -0.91 -0.59 120.40 124.75 2chs s VAL 42 Ca 0.23 0.87 -0.21 0.00 0.00 0.00 0.00 61.98 62.87 2chs s VAL 42 Cb 0.19 -4.31 -0.11 0.00 0.00 0.00 0.00 36.38 32.15 2chs s VAL 42 CO 0.50 -0.59 1.56 0.58 0.00 0.00 0.00 175.10 177.16 2chs h VAL 43 N 5.87 1.20 -1.55 2.92 2.07 -0.60 -3.46 116.25 122.70 2chs h VAL 43 Ca -0.24 -0.62 0.28 0.00 0.82 0.00 0.00 66.70 66.94 2chs h VAL 43 Cb 1.08 1.32 -0.14 0.00 -1.52 0.00 0.00 31.29 32.03 2chs h VAL 43 CO 0.96 0.19 0.79 0.00 0.02 0.00 0.00 177.57 179.53 2chs s GLN 44 N -5.30 0.44 -0.00 1.57 -2.07 -1.25 -4.61 119.66 108.44 2chs s GLN 44 Ca -0.14 -0.21 0.01 0.00 -1.82 0.00 0.00 55.36 53.20 2chs s GLN 44 Cb 0.06 0.17 -0.00 0.00 -1.09 0.00 0.00 33.01 32.14 2chs s GLN 44 CO 0.71 -0.20 -0.05 1.41 -1.32 0.00 0.00 175.29 175.84 2chs s MET 45 N -2.51 0.38 -0.09 9.60 1.75 -0.69 -1.47 119.30 126.27 2chs s MET 45 Ca 0.12 -0.20 0.03 0.00 -1.25 0.00 0.00 55.69 54.39 2chs s MET 45 Cb 0.02 -0.36 -0.01 0.00 2.84 0.00 0.00 34.83 37.32 2chs s MET 45 CO -0.04 0.10 -0.19 -0.51 -0.65 0.00 0.00 175.02 173.73 2chs s LEU 46 N -0.19 2.43 -0.04 4.11 1.43 -0.46 -2.45 118.68 123.50 2chs s LEU 46 Ca 0.01 -0.40 0.06 0.00 -1.03 0.00 0.00 54.13 52.77 2chs s LEU 46 Cb -0.02 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.68 2chs s LEU 46 CO -0.00 0.21 -0.23 -0.76 0.23 0.00 0.00 176.35 175.80 2chs s LEU 47 N 0.07 2.21 0.22 1.79 1.43 -0.54 -1.45 118.68 122.41 2chs s LEU 47 Ca -0.08 -0.43 0.09 0.00 -1.03 0.00 0.00 54.13 52.68 2chs s LEU 47 Cb -0.15 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.62 2chs s LEU 47 CO 0.05 0.29 -0.16 -0.94 0.23 0.00 0.00 176.35 175.82 2chs s SER 48 N -0.44 2.87 -0.08 2.29 1.04 0.44 -1.56 113.70 118.25 2chs s SER 48 Ca 0.05 -1.00 -0.07 0.00 0.48 0.00 0.00 55.95 55.41 2chs s SER 48 Cb -0.12 -0.18 0.03 0.00 0.10 0.00 0.00 66.02 65.85 2chs s SER 48 CO 0.01 -0.09 0.21 0.00 0.98 0.00 0.00 173.24 174.34 2chs s ALA 49 N -2.73 -0.50 0.90 5.32 0.00 -1.13 -0.56 121.76 123.06 2chs s ALA 49 Ca 0.24 0.66 -0.12 0.00 0.00 0.00 0.00 51.96 52.73 2chs s ALA 49 Cb -0.03 -0.39 0.08 0.00 0.00 0.00 0.00 23.12 22.78 2chs s ALA 49 CO 0.09 -0.12 0.78 0.25 0.00 0.00 0.00 175.76 176.77 2chs n THR 50 N 3.26 0.42 0.59 0.00 -2.24 -0.90 -1.53 114.28 113.87 2chs n THR 50 Ca -0.16 -0.14 0.05 0.00 -2.27 0.00 0.00 64.05 61.54 2chs n THR 50 Cb 0.57 -0.84 0.30 0.00 -2.10 0.00 0.00 70.33 68.26 2chs n THR 50 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2chs n PRO 51 N -2.74 0.25 -0.07 -0.78 -0.02 -1.26 -2.25 135.00 128.13 2chs n PRO 51 Ca 0.10 0.09 0.11 0.00 -2.02 0.00 0.00 63.50 61.77 2chs n PRO 51 Cb 0.52 -1.50 0.39 0.00 -0.02 0.00 0.00 33.50 32.89 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 -1.14 1.59 -4.21 2.55 5.68 -1.26 -4.86 116.55 114.91 2chs n ASP 52 Ca 0.07 -1.69 -0.34 0.00 -0.50 0.00 0.00 54.79 52.33 2chs n ASP 52 Cb 0.06 -0.10 -0.15 0.00 -1.14 0.00 0.00 41.12 39.79 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 -1.59 2.51 0.00 -2.12 1.43 -0.95 -4.91 118.68 113.04 2chs s LEU 53 Ca 0.32 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 2chs s LEU 53 Cb 0.17 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.79 2chs s LEU 53 CO 0.26 -0.01 0.18 1.41 0.23 0.00 0.00 176.35 178.42 2chs n HIS 54 N 4.70 0.00 0.12 0.29 8.25 -1.26 -4.94 115.22 122.38 2chs n HIS 54 Ca -0.20 -0.02 0.02 0.00 -0.26 0.00 0.00 57.72 57.27 2chs n HIS 54 Cb 0.50 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.62 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 0.66 -2.48 -1.41 0.00 -1.91 -3.48 119.26 110.64 2chs h ALA 55 Ca 0.00 -0.51 0.04 0.00 0.00 0.00 0.00 54.91 54.44 2chs h ALA 55 Cb 0.45 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.05 2chs h ALA 55 CO 0.00 0.68 0.36 0.54 0.00 0.00 0.00 179.25 180.83 2chs s VAL 56 N -2.95 0.00 -0.01 0.00 0.11 -1.26 -4.68 120.40 111.62 2chs s VAL 56 Ca 0.03 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.78 2chs s VAL 56 Cb 0.08 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.90 2chs s VAL 56 CO 0.76 0.00 0.98 -0.36 -3.33 0.00 0.00 175.10 173.15 2chs s PHE 57 N -3.05 3.65 0.37 1.54 0.08 -1.26 -4.93 117.98 114.38 2chs s PHE 57 Ca 0.01 1.69 0.15 0.00 0.12 0.00 0.00 56.93 58.90 2chs s PHE 57 Cb -0.01 -3.13 1.01 0.00 -0.57 0.00 0.00 43.02 40.32 2chs s PHE 57 CO -0.08 -0.03 1.77 -1.35 -0.10 0.00 0.00 175.22 175.43 2chs h PRO 58 N 6.82 0.47 -0.86 0.24 0.11 -1.96 -1.77 132.00 135.05 2chs h PRO 58 Ca -0.40 -0.03 0.25 0.00 0.11 0.00 0.00 66.00 65.93 2chs h PRO 58 Cb 1.22 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2chs h PRO 58 CO 0.76 0.31 0.79 0.00 -0.21 0.00 0.00 178.00 179.65 2chs h ALA 59 N 1.65 2.70 -0.43 -0.75 0.00 -1.94 -1.07 119.26 119.41 2chs h ALA 59 Ca 0.59 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.47 2chs h ALA 59 Cb 1.34 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 2chs h ALA 59 CO -0.34 -1.23 0.25 -0.22 0.00 0.00 0.00 179.25 177.71 2chs h LYS 60 N 0.00 0.59 0.00 0.00 3.64 -1.72 -2.00 116.57 117.07 2chs h LYS 60 Ca 0.41 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.73 2chs h LYS 60 Cb 1.98 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.68 2chs h LYS 60 CO -0.00 0.42 -0.04 0.00 -2.27 0.00 0.00 179.45 177.56 2chs h ALA 61 N 1.68 1.05 -0.57 5.00 0.00 -1.42 -2.78 119.26 122.22 2chs h ALA 61 Ca 0.16 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2chs h ALA 61 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2chs h ALA 61 CO -0.03 0.04 0.16 0.28 0.00 0.00 0.00 179.25 179.71 2chs h VAL 62 N 0.00 1.24 -0.20 0.00 2.07 -1.55 -1.83 116.25 115.98 2chs h VAL 62 Ca -0.00 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.62 2chs h VAL 62 Cb 0.37 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 2chs h VAL 62 CO 0.00 0.31 0.08 0.54 0.02 0.00 0.00 177.57 178.53 2chs n ARG 63 N -4.42 1.69 -0.11 1.57 1.74 -1.05 -1.31 116.66 114.78 2chs n ARG 63 Ca 0.03 -0.80 0.04 0.00 -0.77 0.00 0.00 57.85 56.35 2chs n ARG 63 Cb 0.21 -1.51 0.10 0.00 -1.02 0.00 0.00 32.46 30.24 2chs n ARG 63 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2chs n GLU 64 N 0.12 2.31 -4.33 5.56 1.02 -0.69 -4.95 120.64 119.68 2chs n GLU 64 Ca 0.11 -1.73 -0.34 0.00 -0.02 0.00 0.00 57.16 55.18 2chs n GLU 64 Cb 0.65 -1.20 -0.11 0.00 -0.02 0.00 0.00 31.44 30.76 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 -0.94 3.48 -0.14 -4.62 1.43 -0.42 -5.07 118.68 112.40 2chs s LEU 65 Ca 0.16 0.03 -0.29 0.00 -1.03 0.00 0.00 54.13 53.00 2chs s LEU 65 Cb 0.09 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 2chs s LEU 65 CO 0.12 0.27 1.86 -0.44 0.23 0.00 0.00 176.35 178.39 2chs s SER 66 N -0.23 6.20 0.00 2.29 0.01 -1.26 -2.36 113.70 118.35 2chs s SER 66 Ca 0.05 2.02 0.00 0.00 1.31 0.00 0.00 55.95 59.33 2chs s SER 66 Cb -0.12 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.58 2chs s SER 66 CO 0.02 -1.35 0.00 0.61 0.41 0.00 0.00 173.24 172.93 2chs n GLY 67 N 4.85 0.39 1.08 3.44 0.00 -1.26 -4.94 105.19 108.75 2chs n GLY 67 Ca 0.22 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 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 0.45 0.85 1.61 7.02 -1.00 -4.51 117.44 119.87 2chs n TRP 68 Ca 0.00 -0.23 0.09 0.00 -1.02 0.00 0.00 57.50 56.34 2chs n TRP 68 Cb 0.00 0.00 0.45 0.00 -2.42 0.00 0.00 31.31 29.34 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 1.34 0.27 0.00 -0.99 0.00 -1.26 -2.49 117.38 114.25 2chs n GLN 69 Ca 0.19 0.11 0.08 0.00 0.00 0.00 0.00 57.00 57.38 2chs n GLN 69 Cb 0.57 -1.50 0.01 0.00 0.00 0.00 0.00 30.24 29.33 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 -1.27 0.00 -2.47 2.61 4.01 -1.26 -4.97 117.16 113.81 2chs n TYR 70 Ca 0.09 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.40 2chs n TYR 70 Cb 0.14 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.14 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 -1.74 4.32 0.03 -0.72 1.01 -1.04 -4.99 120.40 117.27 2chs s VAL 71 Ca 0.14 1.62 -0.30 0.00 0.00 0.00 0.00 61.98 63.44 2chs s VAL 71 Cb 0.13 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 2chs s VAL 71 CO 0.35 -0.07 1.27 -2.16 0.00 0.00 0.00 175.10 174.49 2chs s PRO 72 N 2.85 4.36 0.03 2.72 0.04 -1.26 -4.94 135.00 138.80 2chs s PRO 72 Ca 0.54 1.84 0.04 0.00 0.04 0.00 0.00 61.00 63.46 2chs s PRO 72 Cb -0.22 -3.43 -0.02 0.00 0.04 0.00 0.00 34.50 30.87 2chs s PRO 72 CO 0.17 -0.40 -0.11 0.14 0.04 0.00 0.00 177.00 176.85 2chs s VAL 73 N 1.62 0.86 0.13 -0.36 -7.23 -1.26 -1.70 120.40 112.46 2chs s VAL 73 Ca 0.60 -0.87 -0.11 0.00 -1.81 0.00 0.00 61.98 59.79 2chs s VAL 73 Cb -0.30 -0.80 0.01 0.00 0.56 0.00 0.00 36.38 35.85 2chs s VAL 73 CO 0.27 -0.05 0.30 0.28 -0.31 0.00 0.00 175.10 175.58 2chs s THR 74 N -0.83 0.09 0.29 5.32 -1.32 -1.03 -4.98 115.64 113.18 2chs s THR 74 Ca -0.01 -1.08 0.11 0.00 -1.21 0.00 0.00 61.69 59.51 2chs s THR 74 Cb -0.07 -1.48 -0.05 0.00 -1.51 0.00 0.00 72.50 69.38 2chs s THR 74 CO 0.01 -0.42 -0.16 0.00 -2.21 0.00 0.00 174.62 171.84 2chs s MET 76 N -3.55 0.76 -0.17 0.00 0.23 -0.60 -4.94 119.30 111.03 2chs s MET 76 Ca 0.31 -0.81 -0.19 0.00 -1.03 0.00 0.00 55.69 53.96 2chs s MET 76 Cb -0.04 0.31 -0.03 0.00 -1.53 0.00 0.00 34.83 33.53 2chs s MET 76 CO 0.16 -0.23 0.53 -1.14 -2.03 0.00 0.00 175.02 172.32 2chs s GLN 77 N -3.24 4.25 0.53 3.16 0.74 -1.26 -2.82 119.66 121.02 2chs s GLN 77 Ca 0.00 0.48 -0.20 0.00 0.05 0.00 0.00 55.36 55.69 2chs s GLN 77 Cb 0.02 -3.53 -0.06 0.00 1.10 0.00 0.00 33.01 30.55 2chs s GLN 77 CO -0.08 -0.07 1.14 -2.00 -0.55 0.00 0.00 175.29 173.74 2chs s GLU 78 N 1.37 3.42 0.70 1.67 2.56 -0.59 -4.91 118.70 122.92 2chs s GLU 78 Ca 0.26 1.67 -0.14 0.00 0.00 0.00 0.00 54.97 56.75 2chs s GLU 78 Cb -0.16 -2.09 0.02 0.00 2.00 0.00 0.00 34.13 33.91 2chs s GLU 78 CO 0.10 -0.81 1.13 0.00 -0.56 0.00 0.00 175.26 175.13 2chs s MET 79 N -3.16 2.50 -0.47 4.30 0.23 -1.26 -4.48 119.30 116.96 2chs s MET 79 Ca 0.71 1.47 -0.16 0.00 -1.03 0.00 0.00 55.69 56.67 2chs s MET 79 Cb -0.25 -1.91 0.06 0.00 -1.53 0.00 0.00 34.83 31.20 2chs s MET 79 CO 0.29 -1.50 0.43 0.34 -2.03 0.00 0.00 175.02 172.56 2chs s ASP 80 N -2.53 6.16 -0.03 -1.18 2.15 -1.26 -4.88 116.67 115.10 2chs s ASP 80 Ca 0.68 -1.14 0.01 0.00 0.43 0.00 0.00 52.55 52.53 2chs s ASP 80 Cb -0.22 -2.20 -0.03 0.00 -0.30 0.00 0.00 42.92 40.16 2chs s ASP 80 CO 0.44 -0.66 -0.04 -0.69 -0.17 0.00 0.00 175.17 174.05 2chs s VAL 81 N 1.88 3.88 -0.22 1.11 1.01 -1.26 -5.04 120.40 121.76 2chs s VAL 81 Ca 0.07 -0.56 -0.28 0.00 0.00 0.00 0.00 61.98 61.21 2chs s VAL 81 Cb -0.22 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 2chs s VAL 81 CO 0.09 0.49 2.23 -0.89 0.00 0.00 0.00 175.10 177.01 2chs s THR 82 N -0.94 3.00 0.00 3.92 2.01 -1.26 -1.45 115.64 120.91 2chs s THR 82 Ca 0.16 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.16 2chs s THR 82 Cb -0.11 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.40 2chs s THR 82 CO 0.05 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.59 2chs n GLY 83 N 5.77 0.73 3.78 4.40 0.00 -1.26 -5.04 105.19 113.57 2chs n GLY 83 Ca 0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.89 2.49 0.14 -0.02 0.00 -0.53 -4.94 107.32 102.56 2chs s GLY 84 Ca 0.00 0.69 -0.34 0.00 0.00 0.00 0.00 44.72 45.07 2chs s GLY 84 CO 0.00 1.04 1.58 -0.10 0.00 0.00 0.00 173.10 175.62 2chs n LEU 85 N -1.44 2.99 -4.92 0.66 7.94 -1.26 -4.97 117.00 116.01 2chs n LEU 85 Ca 0.11 1.08 -0.26 0.00 -1.11 0.00 0.00 56.01 55.82 2chs n LEU 85 Cb 0.52 -1.40 -0.00 0.00 0.53 0.00 0.00 43.42 43.06 2chs n LEU 85 CO 0.43 -0.34 0.37 -0.54 -1.11 0.00 0.00 177.39 176.20 2chs s LYS 86 N 1.11 3.50 -1.52 1.96 -0.14 -1.26 -4.35 119.74 119.03 2chs s LYS 86 Ca 0.80 0.03 -0.09 0.00 -1.36 0.00 0.00 55.97 55.36 2chs s LYS 86 Cb -0.70 -2.45 0.07 0.00 -1.68 0.00 0.00 37.83 33.06 2chs s LYS 86 CO 0.40 -0.12 0.68 1.63 -0.76 0.00 0.00 175.35 177.17 2chs n LYS 87 N -2.14 -3.88 -4.43 1.68 5.02 -1.26 -4.82 118.16 108.33 2chs n LYS 87 Ca -0.01 0.46 -0.34 0.00 -2.02 0.00 0.00 58.31 56.40 2chs n LYS 87 Cb 0.55 -4.97 -0.12 0.00 -0.02 0.00 0.00 35.03 30.48 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 0.23 4.09 0.01 0.00 1.01 -0.82 -2.13 121.20 123.60 2chs s ILE 89 Ca -0.03 -0.26 0.06 0.00 0.00 0.00 0.00 60.65 60.42 2chs s ILE 89 Cb -0.14 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 2chs s ILE 89 CO 0.03 0.42 -0.17 -0.13 0.00 0.00 0.00 174.94 175.09 2chs s ARG 90 N 0.99 2.21 -0.00 2.79 0.52 0.27 -2.31 118.95 123.42 2chs s ARG 90 Ca 0.02 -0.89 0.07 0.00 -0.52 0.00 0.00 55.73 54.41 2chs s ARG 90 Cb -0.14 -2.24 -0.02 0.00 0.52 0.00 0.00 34.95 33.07 2chs s ARG 90 CO 0.02 0.57 -0.22 0.54 0.02 0.00 0.00 175.30 176.23 2chs s VAL 91 N -0.85 1.75 -0.25 3.52 0.11 -0.63 -0.42 120.40 123.63 2chs s VAL 91 Ca 0.14 -1.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.17 2chs s VAL 91 Cb -0.11 -1.47 0.07 0.00 -1.53 0.00 0.00 36.38 33.34 2chs s VAL 91 CO 0.04 0.43 -0.01 -0.32 -3.33 0.00 0.00 175.10 171.90 2chs s MET 92 N -0.69 1.36 -0.12 1.54 1.75 -0.53 -1.76 119.30 120.86 2chs s MET 92 Ca 0.09 -1.00 -0.04 0.00 -1.25 0.00 0.00 55.69 53.49 2chs s MET 92 Cb -0.09 -2.50 -0.03 0.00 2.84 0.00 0.00 34.83 35.05 2chs s MET 92 CO -0.00 -0.68 0.01 1.41 -0.65 0.00 0.00 175.02 175.11 2chs s MET 93 N 1.45 3.39 -0.22 4.11 1.75 -0.10 -1.36 119.30 128.32 2chs s MET 93 Ca -0.02 -0.41 -0.05 0.00 -1.25 0.00 0.00 55.69 53.96 2chs s MET 93 Cb -0.18 -2.93 -0.02 0.00 2.84 0.00 0.00 34.83 34.53 2chs s MET 93 CO -0.09 0.50 0.01 0.99 -0.65 0.00 0.00 175.02 175.78 2chs s THR 94 N -0.32 3.88 0.09 10.11 2.01 -0.54 -0.24 115.64 130.63 2chs s THR 94 Ca 0.07 -0.33 0.05 0.00 0.31 0.00 0.00 61.69 61.79 2chs s THR 94 Cb -0.12 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.58 2chs s THR 94 CO 0.02 0.40 -0.13 0.68 -0.69 0.00 0.00 174.62 174.91 2chs s VAL 95 N 1.29 1.06 -0.41 3.82 -7.23 -0.61 0.17 120.40 118.49 2chs s VAL 95 Ca 0.04 -1.45 -0.26 0.00 -1.81 0.00 0.00 61.98 58.49 2chs s VAL 95 Cb -0.15 -1.20 0.02 0.00 0.56 0.00 0.00 36.38 35.62 2chs s VAL 95 CO 0.01 -0.36 0.97 -1.58 -0.31 0.00 0.00 175.10 173.83 2chs s GLN 96 N -2.18 3.75 0.04 4.82 0.74 0.24 -1.58 119.66 125.50 2chs s GLN 96 Ca 0.01 0.49 -0.03 0.00 0.05 0.00 0.00 55.36 55.89 2chs s GLN 96 Cb -0.07 -3.85 -0.02 0.00 1.10 0.00 0.00 33.01 30.17 2chs s GLN 96 CO 0.02 -1.09 0.03 -0.08 -0.55 0.00 0.00 175.29 173.61 2chs s THR 97 N 3.72 0.16 -0.18 -0.34 -1.32 0.34 -4.93 115.64 113.09 2chs s THR 97 Ca 0.40 -1.35 0.22 0.00 -1.21 0.00 0.00 61.69 59.76 2chs s THR 97 Cb -0.11 -1.04 -0.10 0.00 -1.51 0.00 0.00 72.50 69.74 2chs s THR 97 CO 0.23 -0.74 0.88 0.47 -2.21 0.00 0.00 174.62 173.24 2chs n ASP 98 N 0.62 0.61 -4.77 8.08 8.00 -1.26 -0.87 116.55 126.96 2chs n ASP 98 Ca -0.18 0.24 -0.41 0.00 0.71 0.00 0.00 54.79 55.15 2chs n ASP 98 Cb 0.59 0.88 -0.01 0.00 -0.02 0.00 0.00 41.12 42.56 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 -3.40 2.15 0.77 2.53 1.01 -1.26 -4.96 120.40 117.24 2chs s VAL 99 Ca -0.03 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 2chs s VAL 99 Cb 0.11 -3.09 0.05 0.00 0.00 0.00 0.00 36.38 33.45 2chs s VAL 99 CO 0.82 0.03 1.08 -2.84 0.00 0.00 0.00 175.10 174.20 2chs s PRO 100 N -1.57 2.33 0.25 2.72 0.02 -1.26 -4.92 135.00 132.57 2chs s PRO 100 Ca 0.55 1.03 -0.04 0.00 0.02 0.00 0.00 61.00 62.56 2chs s PRO 100 Cb -0.46 -1.92 0.38 0.00 0.02 0.00 0.00 34.50 32.52 2chs s PRO 100 CO 0.57 -1.55 1.84 0.37 -0.33 0.00 0.00 177.00 177.90 2chs h GLN 101 N -1.05 0.89 0.00 5.54 4.15 -2.00 -1.53 115.11 121.11 2chs h GLN 101 Ca -0.44 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.92 2chs h GLN 101 Cb 1.23 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.72 2chs h GLN 101 CO 0.54 0.59 0.00 -0.40 -1.93 0.00 0.00 178.83 177.63 2chs n ASP 102 N -4.66 0.00 -0.52 -0.69 5.75 -1.26 -3.39 116.55 111.78 2chs n ASP 102 Ca 0.14 -0.01 0.06 0.00 -0.01 0.00 0.00 54.79 54.96 2chs n ASP 102 Cb 0.23 -0.29 0.08 0.00 -1.03 0.00 0.00 41.12 40.11 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 -1.29 1.20 -2.16 0.11 6.02 -0.58 -4.98 117.38 115.70 2chs n GLN 103 Ca 0.10 -1.42 -0.40 0.00 -0.01 0.00 0.00 57.00 55.26 2chs n GLN 103 Cb 0.17 -1.24 -0.02 0.00 1.02 0.00 0.00 30.24 30.17 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 -0.98 2.81 -0.46 5.09 -1.09 -1.22 -4.96 121.20 120.39 2chs s ILE 104 Ca 0.16 0.80 -0.16 0.00 -2.23 0.00 0.00 60.65 59.22 2chs s ILE 104 Cb 0.10 -3.50 0.06 0.00 -1.58 0.00 0.00 42.46 37.54 2chs s ILE 104 CO 0.15 0.18 0.39 -0.13 -1.23 0.00 0.00 174.94 174.30 2chs s ARG 105 N -1.84 2.99 0.05 2.79 1.81 -1.26 -5.05 118.95 118.45 2chs s ARG 105 Ca 0.50 -1.23 -0.14 0.00 -1.72 0.00 0.00 55.73 53.14 2chs s ARG 105 Cb -0.38 -4.09 -0.06 0.00 -0.45 0.00 0.00 34.95 29.96 2chs s ARG 105 CO 0.50 -0.98 0.46 -1.01 -0.68 0.00 0.00 175.30 173.59 2chs s HIS 106 N 1.74 3.69 -0.10 -0.53 3.76 -1.26 -4.80 115.29 117.79 2chs s HIS 106 Ca 0.05 1.01 0.03 0.00 -0.15 0.00 0.00 55.06 56.01 2chs s HIS 106 Cb -0.23 -2.31 -0.00 0.00 1.11 0.00 0.00 32.58 31.15 2chs s HIS 106 CO 0.08 0.58 -0.22 0.08 -0.85 0.00 0.00 174.74 174.41 2chs s VAL 107 N -1.21 2.29 -0.08 -0.90 1.01 -0.71 -5.00 120.40 115.79 2chs s VAL 107 Ca 0.29 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.32 2chs s VAL 107 Cb -0.16 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.35 2chs s VAL 107 CO 0.16 0.55 -0.05 -0.31 0.00 0.00 0.00 175.10 175.45 2chs s TYR 108 N 0.26 1.10 0.19 5.22 2.02 -1.26 -1.18 117.35 123.70 2chs s TYR 108 Ca -0.15 -0.45 0.04 0.00 -0.37 0.00 0.00 57.07 56.14 2chs s TYR 108 Cb -0.17 -0.98 -0.05 0.00 -0.40 0.00 0.00 41.96 40.36 2chs s TYR 108 CO 0.07 -0.37 -0.05 -0.51 -1.57 0.00 0.00 175.55 173.13 2chs s LEU 109 N 1.53 2.33 0.00 -1.29 1.43 -0.33 -4.47 118.68 117.89 2chs s LEU 109 Ca -0.00 -1.12 0.00 0.00 -1.03 0.00 0.00 54.13 51.97 2chs s LEU 109 Cb -0.13 -0.28 0.00 0.00 0.03 0.00 0.00 46.19 45.80 2chs s LEU 109 CO -0.05 -0.44 0.00 -0.62 0.23 0.00 0.00 176.35 175.48 2chs n GLU 110 N -0.31 0.00 0.06 1.70 -0.58 -1.26 -1.81 120.64 118.45 2chs n GLU 110 Ca -0.07 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.79 2chs n GLU 110 Cb 0.62 0.00 0.47 0.00 -0.57 0.00 0.00 31.44 31.96 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 0.13 0.00 3.49 4.76 -1.26 -2.79 118.16 136.49 2chs n LYS 111 Ca 0.00 0.21 0.09 0.00 -2.87 0.00 0.00 58.31 55.73 2chs n LYS 111 Cb 0.00 -1.69 0.41 0.00 -1.84 0.00 0.00 35.03 31.91 2chs n LYS 111 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2chs n ALA 112 N -1.66 1.87 0.00 7.82 0.00 -0.75 -3.54 120.51 124.26 2chs n ALA 112 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2chs n ALA 112 Cb 0.32 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.41 1.33 -0.53 0.00 0.24 -1.12 -0.71 118.33 116.13 2chs n VAL 113 Ca 0.06 0.39 0.08 0.00 -2.04 0.00 0.00 64.34 62.84 2chs n VAL 113 Cb 0.18 -1.39 0.27 0.00 -1.47 0.00 0.00 33.84 31.43 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 -1.32 1.59 1.28 3.34 3.14 -1.23 -5.04 118.33 120.09 2chs n VAL 114 Ca 0.00 -1.25 0.13 0.00 -2.96 0.00 0.00 64.34 60.26 2chs n VAL 114 Cb 0.06 0.20 0.34 0.00 -1.06 0.00 0.00 33.84 33.39 2chs n VAL 114 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55