#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 1.45 0.05 1.12 -1.09 -1.26 -1.82 121.20 119.65 2chs s ILE 3 Ca 0.00 -0.65 0.04 0.00 -2.23 0.00 0.00 60.65 57.80 2chs s ILE 3 Cb 0.00 -1.30 -0.02 0.00 -1.58 0.00 0.00 42.46 39.55 2chs s ILE 3 CO 0.00 0.43 -0.11 -0.13 -1.23 0.00 0.00 174.94 173.90 2chs s ARG 4 N 0.66 0.69 0.29 2.79 0.52 0.53 -4.91 118.95 119.52 2chs s ARG 4 Ca -0.14 -0.78 -0.14 0.00 -0.52 0.00 0.00 55.73 54.14 2chs s ARG 4 Cb -0.16 -0.61 -0.09 0.00 0.52 0.00 0.00 34.95 34.62 2chs s ARG 4 CO 0.04 0.13 0.70 0.20 0.02 0.00 0.00 175.30 176.39 2chs s GLY 5 N -1.44 2.36 -0.01 -3.53 0.00 -1.26 -0.82 107.32 102.61 2chs s GLY 5 Ca -0.04 -0.01 0.06 0.00 0.00 0.00 0.00 44.72 44.73 2chs s GLY 5 CO 0.01 0.21 -0.20 -0.42 0.00 0.00 0.00 173.10 172.70 2chs s ILE 6 N -1.89 1.55 0.13 0.90 1.01 0.29 -4.95 121.20 118.25 2chs s ILE 6 Ca 0.51 -0.85 0.07 0.00 0.00 0.00 0.00 60.65 60.39 2chs s ILE 6 Cb -0.11 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 2chs s ILE 6 CO 0.18 0.43 -0.08 -0.13 0.00 0.00 0.00 174.94 175.35 2chs s ARG 7 N -0.47 2.17 0.07 2.79 1.81 -1.26 -0.74 118.95 123.32 2chs s ARG 7 Ca 0.08 -1.09 -0.13 0.00 -1.72 0.00 0.00 55.73 52.87 2chs s ARG 7 Cb -0.08 -2.29 0.02 0.00 -0.45 0.00 0.00 34.95 32.15 2chs s ARG 7 CO -0.01 0.48 0.30 0.20 -0.68 0.00 0.00 175.30 175.59 2chs s GLY 8 N -2.49 -0.10 -0.02 -3.53 0.00 -1.04 -1.84 107.32 98.30 2chs s GLY 8 Ca 0.23 -0.17 -0.18 0.00 0.00 0.00 0.00 44.72 44.61 2chs s GLY 8 CO 0.15 -0.39 0.38 0.00 0.00 0.00 0.00 173.10 173.25 2chs s ALA 9 N -3.18 -0.98 0.25 3.20 0.00 -0.57 -1.76 121.76 118.72 2chs s ALA 9 Ca -0.01 0.50 -0.18 0.00 0.00 0.00 0.00 51.96 52.28 2chs s ALA 9 Cb 0.01 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.23 2chs s ALA 9 CO -0.07 -0.29 0.60 -0.08 0.00 0.00 0.00 175.76 175.91 2chs s THR 10 N -1.39 0.00 0.10 0.00 -1.32 -0.72 -0.91 115.64 111.40 2chs s THR 10 Ca -0.12 -1.08 0.05 0.00 -1.21 0.00 0.00 61.69 59.33 2chs s THR 10 Cb -0.04 -1.97 -0.03 0.00 -1.51 0.00 0.00 72.50 68.94 2chs s THR 10 CO 0.05 -0.02 -0.14 0.42 -2.21 0.00 0.00 174.62 172.72 2chs s THR 11 N -3.94 1.21 0.26 5.08 -4.23 -1.26 -0.91 115.64 111.85 2chs s THR 11 Ca 0.14 -1.58 0.10 0.00 -1.18 0.00 0.00 61.69 59.17 2chs s THR 11 Cb -0.03 -1.37 -0.05 0.00 1.34 0.00 0.00 72.50 72.39 2chs s THR 11 CO 0.06 -0.38 -0.08 0.68 -0.54 0.00 0.00 174.62 174.35 2chs s VAL 12 N -1.92 3.07 -0.08 2.29 -7.23 -0.31 -4.82 120.40 111.41 2chs s VAL 12 Ca 0.05 -2.06 0.14 0.00 -1.81 0.00 0.00 61.98 58.30 2chs s VAL 12 Cb -0.06 -2.62 -0.19 0.00 0.56 0.00 0.00 36.38 34.07 2chs s VAL 12 CO 0.02 -0.35 0.73 -0.62 -0.31 0.00 0.00 175.10 174.57 2chs n GLU 13 N -0.69 0.63 -3.99 4.82 -0.58 -1.26 -4.83 120.64 114.73 2chs n GLU 13 Ca -0.06 0.27 -0.10 0.00 -0.42 0.00 0.00 57.16 56.84 2chs n GLU 13 Cb 0.59 -1.80 -0.11 0.00 -0.57 0.00 0.00 31.44 29.55 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 -2.74 0.34 -1.34 3.49 0.52 -1.26 -5.06 118.95 112.89 2chs s ARG 14 Ca -0.04 -0.60 -0.17 0.00 -0.52 0.00 0.00 55.73 54.40 2chs s ARG 14 Cb 0.08 0.02 0.05 0.00 0.52 0.00 0.00 34.95 35.62 2chs s ARG 14 CO 0.82 -0.03 1.95 -3.47 0.02 0.00 0.00 175.30 174.59 2chs n ASP 15 N 1.67 4.37 -4.23 0.23 2.03 -1.26 -4.66 116.55 114.70 2chs n ASP 15 Ca -0.23 -2.87 -0.20 0.00 0.52 0.00 0.00 54.79 52.01 2chs n ASP 15 Cb 0.55 -1.69 -0.12 0.00 -0.72 0.00 0.00 41.12 39.14 2chs n ASP 15 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2chs s THR 16 N 4.10 1.37 0.20 5.18 -4.23 -1.26 -4.70 115.64 116.30 2chs s THR 16 Ca 0.52 -1.50 -0.11 0.00 -1.18 0.00 0.00 61.69 59.42 2chs s THR 16 Cb 0.08 -1.35 0.11 0.00 1.34 0.00 0.00 72.50 72.68 2chs s THR 16 CO 0.02 -0.22 1.79 -0.08 -0.54 0.00 0.00 174.62 175.58 2chs h GLU 17 N 4.01 0.53 -0.49 3.99 4.81 -1.91 -1.91 114.58 123.61 2chs h GLU 17 Ca -0.42 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 58.83 2chs h GLU 17 Cb 1.19 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.40 2chs h GLU 17 CO 0.43 0.35 0.20 1.49 -0.73 0.00 0.00 179.01 180.75 2chs h GLU 18 N 0.55 0.39 0.02 1.92 4.81 -1.96 -1.67 114.58 118.64 2chs h GLU 18 Ca 0.27 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2chs h GLU 18 Cb 0.20 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2chs h GLU 18 CO -0.19 0.26 -0.01 0.93 -0.73 0.00 0.00 179.01 179.27 2chs h GLU 19 N 0.40 -0.03 -0.12 1.92 5.08 -1.83 -1.93 114.58 118.08 2chs h GLU 19 Ca 0.23 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.62 2chs h GLU 19 Cb 0.21 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2chs h GLU 19 CO -0.21 0.33 -0.09 0.82 -1.00 0.00 0.00 179.01 178.86 2chs h ILE 20 N -0.38 0.74 -0.69 3.13 2.04 -1.18 -0.95 117.51 120.22 2chs h ILE 20 Ca -0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 2chs h ILE 20 Cb 0.37 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 2chs h ILE 20 CO 0.00 0.00 0.22 -0.07 0.00 0.00 0.00 178.15 178.31 2chs h LEU 21 N -0.09 0.98 -0.05 1.44 3.38 -1.36 0.01 115.31 119.61 2chs h LEU 21 Ca 0.08 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2chs h LEU 21 Cb 0.21 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2chs h LEU 21 CO -0.18 0.91 0.01 -0.61 0.09 0.00 0.00 178.44 178.66 2chs h GLN 22 N 1.02 0.09 -0.33 1.13 4.15 -1.04 -0.43 115.11 119.69 2chs h GLN 22 Ca 0.23 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.51 2chs h GLN 22 Cb 0.27 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 2chs h GLN 22 CO -0.01 0.32 -0.25 0.87 -1.93 0.00 0.00 178.83 177.83 2chs h LYS 23 N -0.16 0.66 -0.31 1.69 1.79 -1.13 -0.41 116.57 118.71 2chs h LYS 23 Ca 0.02 -0.27 -0.18 0.00 -2.18 0.00 0.00 60.65 58.04 2chs h LYS 23 Cb 0.28 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.89 2chs h LYS 23 CO 0.00 0.85 -0.50 1.15 -1.08 0.00 0.00 179.45 179.86 2chs h THR 24 N 0.58 1.27 -0.00 -0.16 2.02 -0.87 -1.92 112.91 113.82 2chs h THR 24 Ca 0.08 -1.69 -0.00 0.00 0.77 0.00 0.00 66.41 65.57 2chs h THR 24 Cb 0.73 1.58 -0.00 0.00 -1.74 0.00 0.00 68.15 68.72 2chs h THR 24 CO 0.06 0.55 0.00 0.50 0.37 0.00 0.00 175.52 177.00 2chs h LYS 25 N 0.68 0.01 -0.69 6.66 3.64 -0.93 -1.20 116.57 124.73 2chs h LYS 25 Ca 0.02 -0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.51 2chs h LYS 25 Cb 1.11 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.85 2chs h LYS 25 CO 0.12 0.14 0.29 1.96 -2.27 0.00 0.00 179.45 179.69 2chs h GLN 26 N -0.13 0.47 0.32 1.90 4.20 -1.03 -0.51 115.11 120.32 2chs h GLN 26 Ca 0.00 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 2chs h GLN 26 Cb 0.14 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2chs h GLN 26 CO -0.00 0.31 -0.15 1.25 -0.67 0.00 0.00 178.83 179.56 2chs h LEU 27 N 0.48 -0.37 -1.12 1.46 5.85 -1.04 -1.78 115.31 118.80 2chs h LEU 27 Ca 0.36 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.06 2chs h LEU 27 Cb 0.46 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 2chs h LEU 27 CO -0.33 -0.20 0.59 -0.07 -0.34 0.00 0.00 178.44 178.10 2chs h LEU 28 N -0.51 1.00 -0.82 2.25 3.38 -0.90 -0.80 115.31 118.90 2chs h LEU 28 Ca -0.04 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2chs h LEU 28 Cb 0.38 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2chs h LEU 28 CO 0.07 0.70 0.25 -0.33 0.09 0.00 0.00 178.44 179.23 2chs h GLU 29 N 1.17 1.13 -0.19 1.13 5.08 -1.04 -0.54 114.58 121.31 2chs h GLU 29 Ca 0.35 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 2chs h GLU 29 Cb -0.04 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 2chs h GLU 29 CO -0.09 0.94 -0.10 -0.22 -1.00 0.00 0.00 179.01 178.54 2chs h LYS 30 N 1.09 0.40 -0.44 2.33 1.63 -0.42 -1.30 116.57 119.86 2chs h LYS 30 Ca 0.24 -0.18 0.09 0.00 -0.85 0.00 0.00 60.65 59.95 2chs h LYS 30 Cb 0.27 -0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 31.81 2chs h LYS 30 CO -0.01 0.70 -0.07 0.82 -3.45 0.00 0.00 179.45 177.44 2chs h ILE 31 N 0.09 0.59 -0.21 2.00 2.04 -1.07 0.13 117.51 121.08 2chs h ILE 31 Ca 0.04 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 2chs h ILE 31 Cb 0.59 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2chs h ILE 31 CO 0.03 0.01 0.12 0.40 0.00 0.00 0.00 178.15 178.71 2chs h ILE 32 N 0.03 1.09 -0.17 -0.67 2.04 -1.07 -1.24 117.51 117.54 2chs h ILE 32 Ca 0.21 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.85 2chs h ILE 32 Cb 0.32 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 2chs h ILE 32 CO -0.42 0.09 0.07 -0.08 0.00 0.00 0.00 178.15 177.80 2chs h GLU 33 N 0.25 0.15 -0.07 2.37 4.81 -0.72 0.46 114.58 121.83 2chs h GLU 33 Ca 0.07 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 2chs h GLU 33 Cb 0.04 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2chs h GLU 33 CO -0.01 0.10 -0.37 0.93 -0.73 0.00 0.00 179.01 178.93 2chs h GLU 34 N 0.15 0.14 -0.16 1.92 4.39 -0.70 -3.19 114.58 117.13 2chs h GLU 34 Ca 0.07 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2chs h GLU 34 Cb 0.04 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2chs h GLU 34 CO -0.07 0.49 0.00 0.09 -1.16 0.00 0.00 179.01 178.36 2chs n ASN 35 N -4.07 2.37 -3.59 1.42 3.02 -0.47 -4.83 115.26 109.10 2chs n ASN 35 Ca -0.02 -1.69 -0.26 0.00 -0.03 0.00 0.00 54.58 52.58 2chs n ASN 35 Cb 0.43 -0.10 0.05 0.00 -0.61 0.00 0.00 39.78 39.55 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 0.60 -2.54 -2.78 3.10 8.25 0.16 -4.94 115.22 117.07 2chs n HIS 36 Ca 0.09 0.89 -0.41 0.00 -0.26 0.00 0.00 57.72 58.02 2chs n HIS 36 Cb 0.35 -4.56 -0.04 0.00 1.12 0.00 0.00 29.99 26.85 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 -3.27 4.58 -0.03 1.59 2.01 -1.00 -5.04 115.64 114.48 2chs s THR 37 Ca 0.56 1.98 -0.01 0.00 0.31 0.00 0.00 61.69 64.53 2chs s THR 37 Cb -0.26 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 67.93 2chs s THR 37 CO 0.69 0.31 0.08 -0.54 -0.69 0.00 0.00 174.62 174.47 2chs s LYS 38 N 0.10 3.09 0.36 4.92 -0.14 -1.26 -4.96 119.74 121.85 2chs s LYS 38 Ca 0.46 -0.44 0.12 0.00 -1.36 0.00 0.00 55.97 54.75 2chs s LYS 38 Cb -0.23 -2.88 0.91 0.00 -1.68 0.00 0.00 37.83 33.95 2chs s LYS 38 CO 0.28 0.67 1.80 -1.35 -0.76 0.00 0.00 175.35 175.99 2chs h PRO 39 N 4.33 0.57 0.00 -1.68 0.11 -1.95 -1.64 132.00 131.75 2chs h PRO 39 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2chs h PRO 39 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2chs h PRO 39 CO 0.61 0.38 0.00 1.05 -0.21 0.00 0.00 178.00 179.83 2chs h GLU 40 N 0.59 0.00 -0.05 1.05 9.09 -1.95 -1.93 114.58 121.38 2chs h GLU 40 Ca 0.55 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.96 2chs h GLU 40 Cb 1.09 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.19 2chs h GLU 40 CO -0.30 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.51 2chs n ASP 41 N -2.67 2.12 -4.66 3.06 8.00 -0.61 -4.85 116.55 116.93 2chs n ASP 41 Ca 0.02 -1.71 -0.40 0.00 0.71 0.00 0.00 54.79 53.41 2chs n ASP 41 Cb 0.32 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.34 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 -1.96 5.01 -0.01 2.53 1.01 -0.73 -0.66 120.40 125.59 2chs s VAL 42 Ca 0.34 1.21 -0.25 0.00 0.00 0.00 0.00 61.98 63.28 2chs s VAL 42 Cb 0.20 -3.96 -0.19 0.00 0.00 0.00 0.00 36.38 32.43 2chs s VAL 42 CO 0.32 0.10 1.33 0.58 0.00 0.00 0.00 175.10 177.42 2chs h VAL 43 N 5.19 1.34 -2.01 2.92 2.07 -1.07 -3.47 116.25 121.23 2chs h VAL 43 Ca -0.31 -1.02 0.24 0.00 0.82 0.00 0.00 66.70 66.43 2chs h VAL 43 Cb 1.14 2.02 -0.09 0.00 -1.52 0.00 0.00 31.29 32.84 2chs h VAL 43 CO 0.78 0.27 0.65 0.00 0.02 0.00 0.00 177.57 179.28 2chs s GLN 44 N -4.48 0.87 0.02 1.57 -2.07 -1.23 -4.61 119.66 109.72 2chs s GLN 44 Ca -0.16 -0.50 0.00 0.00 -1.82 0.00 0.00 55.36 52.89 2chs s GLN 44 Cb 0.02 0.28 -0.02 0.00 -1.09 0.00 0.00 33.01 32.21 2chs s GLN 44 CO 0.68 -0.40 -0.03 1.41 -1.32 0.00 0.00 175.29 175.63 2chs s MET 45 N -2.75 0.28 -0.02 9.60 1.75 -0.35 -1.21 119.30 126.60 2chs s MET 45 Ca 0.15 -0.50 0.03 0.00 -1.25 0.00 0.00 55.69 54.12 2chs s MET 45 Cb 0.01 0.03 -0.00 0.00 2.84 0.00 0.00 34.83 37.70 2chs s MET 45 CO 0.00 -0.02 -0.12 -0.51 -0.65 0.00 0.00 175.02 173.72 2chs s LEU 46 N -1.16 1.92 -0.02 4.11 1.43 -0.40 -2.56 118.68 122.01 2chs s LEU 46 Ca -0.12 -0.22 0.06 0.00 -1.03 0.00 0.00 54.13 52.82 2chs s LEU 46 Cb -0.08 -0.64 -0.01 0.00 0.03 0.00 0.00 46.19 45.49 2chs s LEU 46 CO -0.01 0.12 -0.19 -0.76 0.23 0.00 0.00 176.35 175.74 2chs s LEU 47 N -0.07 2.01 0.26 1.79 1.02 -0.76 -1.36 118.68 121.58 2chs s LEU 47 Ca 0.01 -0.35 0.12 0.00 0.02 0.00 0.00 54.13 53.92 2chs s LEU 47 Cb -0.07 -1.00 -0.05 0.00 0.02 0.00 0.00 46.19 45.10 2chs s LEU 47 CO 0.00 0.22 -0.19 -0.94 0.02 0.00 0.00 176.35 175.46 2chs s SER 48 N -0.34 3.64 -0.02 2.29 1.04 0.49 -0.90 113.70 119.90 2chs s SER 48 Ca 0.05 -0.95 -0.06 0.00 0.48 0.00 0.00 55.95 55.47 2chs s SER 48 Cb -0.08 -0.34 0.00 0.00 0.10 0.00 0.00 66.02 65.70 2chs s SER 48 CO 0.00 0.06 0.12 0.00 0.98 0.00 0.00 173.24 174.40 2chs s ALA 49 N -2.27 -0.29 0.76 5.32 0.00 -1.02 -0.99 121.76 123.26 2chs s ALA 49 Ca 0.28 0.05 -0.11 0.00 0.00 0.00 0.00 51.96 52.18 2chs s ALA 49 Cb -0.06 -0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.08 2chs s ALA 49 CO 0.14 -0.14 1.08 0.95 0.00 0.00 0.00 175.76 177.79 2chs s THR 50 N -0.77 3.44 -1.75 0.00 -4.23 -1.11 -0.34 115.64 110.89 2chs s THR 50 Ca -0.09 0.47 0.15 0.00 -1.18 0.00 0.00 61.69 61.04 2chs s THR 50 Cb -0.05 -3.03 0.35 0.00 1.34 0.00 0.00 72.50 71.11 2chs s THR 50 CO 0.01 -0.61 1.35 -0.81 -0.54 0.00 0.00 174.62 174.02 2chs n PRO 51 N -3.45 0.35 -0.07 3.99 -0.04 -1.26 -2.51 135.00 132.02 2chs n PRO 51 Ca 0.08 0.07 0.08 0.00 -0.04 0.00 0.00 63.50 63.69 2chs n PRO 51 Cb 0.53 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.82 2chs n PRO 51 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2chs n ASP 52 N -1.13 1.03 -4.10 3.54 5.75 -1.26 -4.77 116.55 115.61 2chs n ASP 52 Ca 0.09 -1.73 -0.33 0.00 -0.01 0.00 0.00 54.79 52.82 2chs n ASP 52 Cb 0.08 -0.09 -0.15 0.00 -1.03 0.00 0.00 41.12 39.93 2chs n ASP 52 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2chs s LEU 53 N -1.38 3.02 0.00 -2.12 1.43 -1.04 -4.89 118.68 113.71 2chs s LEU 53 Ca 0.25 -1.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.24 2chs s LEU 53 Cb 0.13 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.80 2chs s LEU 53 CO 0.19 -0.13 0.21 1.41 0.23 0.00 0.00 176.35 178.26 2chs n HIS 54 N 4.52 0.00 -0.20 0.29 8.25 -1.26 -4.89 115.22 121.94 2chs n HIS 54 Ca -0.16 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.25 2chs n HIS 54 Cb 0.45 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.70 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 1.14 -2.44 -1.41 0.00 -1.92 -3.46 119.26 111.17 2chs h ALA 55 Ca 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.78 2chs h ALA 55 Cb 0.14 -0.26 -0.15 0.00 0.00 0.00 0.00 17.79 17.53 2chs h ALA 55 CO 0.00 0.60 0.42 0.54 0.00 0.00 0.00 179.25 180.81 2chs s VAL 56 N -5.34 0.00 0.10 0.00 0.11 -1.26 -4.71 120.40 109.30 2chs s VAL 56 Ca -0.11 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.64 2chs s VAL 56 Cb 0.16 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.94 2chs s VAL 56 CO 0.82 0.00 1.21 -0.36 -3.33 0.00 0.00 175.10 173.44 2chs s PHE 57 N -3.20 3.42 0.48 1.54 0.08 -1.26 -4.93 117.98 114.12 2chs s PHE 57 Ca 0.04 1.30 0.18 0.00 0.12 0.00 0.00 56.93 58.57 2chs s PHE 57 Cb -0.01 -3.44 1.19 0.00 -0.57 0.00 0.00 43.02 40.19 2chs s PHE 57 CO -0.09 -1.35 2.02 -1.35 -0.10 0.00 0.00 175.22 174.34 2chs h PRO 58 N 6.38 0.20 -0.52 0.24 0.11 -1.97 -2.11 132.00 134.34 2chs h PRO 58 Ca -0.42 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.82 2chs h PRO 58 Cb 1.21 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2chs h PRO 58 CO 0.80 0.13 0.62 0.00 -0.21 0.00 0.00 178.00 179.34 2chs h ALA 59 N 1.76 2.25 0.00 -0.75 0.00 -1.96 0.22 119.26 120.78 2chs h ALA 59 Ca 0.22 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2chs h ALA 59 Cb 0.59 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2chs h ALA 59 CO -0.04 -0.89 -0.29 -0.22 0.00 0.00 0.00 179.25 177.81 2chs h LYS 60 N 0.00 0.00 0.00 0.00 3.64 -1.78 -2.63 116.57 115.80 2chs h LYS 60 Ca 0.24 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 2chs h LYS 60 Cb 1.48 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.30 2chs h LYS 60 CO -0.00 0.29 -0.06 0.00 -2.27 0.00 0.00 179.45 177.41 2chs h ALA 61 N 1.71 1.09 -0.13 5.00 0.00 -1.17 -2.39 119.26 123.37 2chs h ALA 61 Ca -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2chs h ALA 61 Cb 0.52 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2chs h ALA 61 CO 0.04 0.07 0.01 0.28 0.00 0.00 0.00 179.25 179.65 2chs h VAL 62 N 0.00 1.08 0.00 0.00 2.07 -1.63 -1.05 116.25 116.72 2chs h VAL 62 Ca -0.00 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2chs h VAL 62 Cb 0.36 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2chs h VAL 62 CO 0.01 0.10 0.00 0.03 0.02 0.00 0.00 177.57 177.73 2chs h ARG 63 N 0.18 0.00 -0.01 1.57 3.08 -1.60 -1.40 114.38 116.21 2chs h ARG 63 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2chs h ARG 63 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2chs h ARG 63 CO 0.00 0.00 -0.09 0.39 -1.07 0.00 0.00 179.97 179.21 2chs n GLU 64 N -2.50 1.23 -3.49 0.04 1.02 -0.40 -4.78 120.64 111.76 2chs n GLU 64 Ca -0.01 -0.63 -0.40 0.00 -0.02 0.00 0.00 57.16 56.11 2chs n GLU 64 Cb 0.10 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 29.93 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 -2.21 4.30 -0.06 -4.62 1.43 -0.53 -5.03 118.68 111.97 2chs s LEU 65 Ca 0.34 -0.16 -0.31 0.00 -1.03 0.00 0.00 54.13 52.97 2chs s LEU 65 Cb 0.20 -2.23 -0.09 0.00 0.03 0.00 0.00 46.19 44.10 2chs s LEU 65 CO 0.41 -0.21 2.00 -1.20 0.23 0.00 0.00 176.35 177.58 2chs n SER 66 N 5.21 3.74 0.00 2.29 7.64 -1.26 -1.62 113.62 129.62 2chs n SER 66 Ca -0.11 0.79 0.00 0.00 1.01 0.00 0.00 58.87 60.56 2chs n SER 66 Cb 0.50 -1.48 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 4.79 0.31 0.81 0.23 0.00 -1.26 -4.94 105.19 105.13 2chs n GLY 67 Ca 0.23 0.00 0.10 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 0.16 1.61 7.02 -0.64 -4.45 117.44 119.59 2chs n TRP 68 Ca 0.00 -0.23 0.10 0.00 -1.02 0.00 0.00 57.50 56.36 2chs n TRP 68 Cb 0.00 0.00 0.56 0.00 -2.42 0.00 0.00 31.31 29.45 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 0.80 0.13 -0.12 -0.99 0.00 -1.26 -1.72 117.38 114.22 2chs n GLN 69 Ca 0.17 0.63 0.07 0.00 0.00 0.00 0.00 57.00 57.87 2chs n GLN 69 Cb 0.42 -1.97 0.13 0.00 0.00 0.00 0.00 30.24 28.82 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 -2.23 0.31 -2.49 2.61 4.01 -1.26 -4.98 117.16 113.14 2chs n TYR 70 Ca -0.01 -0.26 -0.42 0.00 -0.16 0.00 0.00 57.90 57.04 2chs n TYR 70 Cb 0.06 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.05 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 -1.08 4.25 -0.14 -0.72 1.01 -0.70 -4.98 120.40 118.04 2chs s VAL 71 Ca 0.23 1.61 -0.24 0.00 0.00 0.00 0.00 61.98 63.58 2chs s VAL 71 Cb 0.14 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 2chs s VAL 71 CO 0.19 0.10 0.78 -2.16 0.00 0.00 0.00 175.10 174.01 2chs s PRO 72 N 1.29 4.33 0.01 2.72 0.04 -1.26 -4.96 135.00 137.17 2chs s PRO 72 Ca 0.57 0.95 0.04 0.00 0.04 0.00 0.00 61.00 62.60 2chs s PRO 72 Cb -0.27 -3.54 -0.01 0.00 0.04 0.00 0.00 34.50 30.72 2chs s PRO 72 CO 0.27 -0.22 -0.12 0.14 0.04 0.00 0.00 177.00 177.11 2chs s VAL 73 N 1.79 0.92 0.04 -0.36 -7.23 -1.26 -1.21 120.40 113.09 2chs s VAL 73 Ca 0.37 -0.66 -0.04 0.00 -1.81 0.00 0.00 61.98 59.84 2chs s VAL 73 Cb -0.17 -0.80 -0.02 0.00 0.56 0.00 0.00 36.38 35.96 2chs s VAL 73 CO 0.14 0.14 0.06 0.28 -0.31 0.00 0.00 175.10 175.40 2chs s THR 74 N -0.50 0.14 0.48 5.32 -1.32 -1.06 -4.98 115.64 113.72 2chs s THR 74 Ca 0.03 -1.17 0.08 0.00 -1.21 0.00 0.00 61.69 59.42 2chs s THR 74 Cb -0.06 -0.88 0.04 0.00 -1.51 0.00 0.00 72.50 70.09 2chs s THR 74 CO 0.00 -0.64 0.62 0.00 -2.21 0.00 0.00 174.62 172.39 2chs s MET 76 N -4.44 0.94 -0.09 0.00 0.23 -0.08 -4.85 119.30 111.02 2chs s MET 76 Ca 0.56 -0.19 -0.19 0.00 -1.03 0.00 0.00 55.69 54.84 2chs s MET 76 Cb -0.07 0.44 -0.04 0.00 -1.53 0.00 0.00 34.83 33.62 2chs s MET 76 CO 0.34 -0.38 0.51 -1.14 -2.03 0.00 0.00 175.02 172.32 2chs s GLN 77 N -2.68 4.31 0.52 3.16 0.74 -1.26 -2.44 119.66 122.01 2chs s GLN 77 Ca 0.01 0.53 -0.19 0.00 0.05 0.00 0.00 55.36 55.76 2chs s GLN 77 Cb -0.01 -3.41 -0.07 0.00 1.10 0.00 0.00 33.01 30.62 2chs s GLN 77 CO -0.06 0.22 1.03 -2.00 -0.55 0.00 0.00 175.29 173.94 2chs s GLU 78 N 0.38 3.71 0.37 1.67 2.56 0.53 -4.87 118.70 123.06 2chs s GLU 78 Ca 0.28 1.25 -0.26 0.00 0.00 0.00 0.00 54.97 56.23 2chs s GLU 78 Cb -0.16 -2.09 -0.09 0.00 2.00 0.00 0.00 34.13 33.79 2chs s GLU 78 CO 0.12 -0.49 1.14 0.00 -0.56 0.00 0.00 175.26 175.48 2chs s MET 79 N -3.58 4.20 -0.55 4.30 0.23 -1.26 -4.56 119.30 118.08 2chs s MET 79 Ca 0.65 1.79 -0.25 0.00 -1.03 0.00 0.00 55.69 56.85 2chs s MET 79 Cb -0.15 -2.77 0.04 0.00 -1.53 0.00 0.00 34.83 30.43 2chs s MET 79 CO 0.26 -0.18 0.97 0.34 -2.03 0.00 0.00 175.02 174.38 2chs s ASP 80 N -1.13 6.35 -0.11 -1.18 2.15 -1.26 -4.95 116.67 116.55 2chs s ASP 80 Ca 0.54 -0.29 -0.03 0.00 0.43 0.00 0.00 52.55 53.20 2chs s ASP 80 Cb -0.30 -2.45 -0.03 0.00 -0.30 0.00 0.00 42.92 39.84 2chs s ASP 80 CO 0.38 -1.26 0.02 -0.69 -0.17 0.00 0.00 175.17 173.45 2chs s VAL 81 N 4.08 4.48 -0.03 1.11 1.01 -1.26 -5.05 120.40 124.74 2chs s VAL 81 Ca 0.32 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 2chs s VAL 81 Cb -0.12 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 2chs s VAL 81 CO 0.20 0.58 1.52 -0.89 0.00 0.00 0.00 175.10 176.52 2chs s THR 82 N -0.65 3.63 0.00 3.92 2.01 -1.26 -0.96 115.64 122.32 2chs s THR 82 Ca 0.11 0.90 0.00 0.00 0.31 0.00 0.00 61.69 63.01 2chs s THR 82 Cb -0.12 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 68.81 2chs s THR 82 CO 0.02 -0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.52 2chs n GLY 83 N 3.89 0.98 3.78 4.40 0.00 -1.26 -5.03 105.19 111.95 2chs n GLY 83 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.73 2.02 0.09 -0.02 0.00 -0.14 -4.97 107.32 102.57 2chs s GLY 84 Ca 0.00 0.41 -0.31 0.00 0.00 0.00 0.00 44.72 44.82 2chs s GLY 84 CO 0.00 0.75 1.54 -2.27 0.00 0.00 0.00 173.10 173.11 2chs s LEU 85 N -5.01 4.36 0.45 0.66 2.96 -1.26 -4.96 118.68 115.89 2chs s LEU 85 Ca 0.64 2.42 -0.07 0.00 -0.22 0.00 0.00 54.13 56.90 2chs s LEU 85 Cb -0.18 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.89 2chs s LEU 85 CO 0.44 -0.80 0.78 -0.54 -1.32 0.00 0.00 176.35 174.92 2chs s LYS 86 N 1.91 3.64 -1.45 1.98 -0.14 -1.26 -4.40 119.74 120.02 2chs s LYS 86 Ca 0.69 0.32 -0.07 0.00 -1.36 0.00 0.00 55.97 55.56 2chs s LYS 86 Cb -0.39 -2.38 0.05 0.00 -1.68 0.00 0.00 37.83 33.43 2chs s LYS 86 CO 0.31 -0.14 0.74 1.63 -0.76 0.00 0.00 175.35 177.13 2chs n LYS 87 N -1.86 -4.56 -4.56 1.68 5.02 -1.26 -4.82 118.16 107.79 2chs n LYS 87 Ca 0.01 0.53 -0.33 0.00 -2.02 0.00 0.00 58.31 56.51 2chs n LYS 87 Cb 0.55 -5.13 -0.15 0.00 -0.02 0.00 0.00 35.03 30.27 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 0.73 5.37 0.12 0.00 1.01 -0.09 -2.73 121.20 125.61 2chs s ILE 89 Ca -0.06 0.18 0.10 0.00 0.00 0.00 0.00 60.65 60.87 2chs s ILE 89 Cb -0.15 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 2chs s ILE 89 CO 0.01 0.41 -0.24 -0.13 0.00 0.00 0.00 174.94 174.99 2chs s ARG 90 N 0.60 1.30 0.07 2.79 0.52 -0.16 -1.75 118.95 122.31 2chs s ARG 90 Ca 0.08 -1.29 0.06 0.00 -0.52 0.00 0.00 55.73 54.06 2chs s ARG 90 Cb -0.12 -1.69 -0.03 0.00 0.52 0.00 0.00 34.95 33.63 2chs s ARG 90 CO 0.00 0.40 -0.17 0.54 0.02 0.00 0.00 175.30 176.09 2chs s VAL 91 N -1.15 1.33 -0.29 3.52 0.11 -0.72 -0.38 120.40 122.81 2chs s VAL 91 Ca 0.12 -1.30 -0.00 0.00 -2.93 0.00 0.00 61.98 57.87 2chs s VAL 91 Cb -0.10 -1.23 0.09 0.00 -1.53 0.00 0.00 36.38 33.62 2chs s VAL 91 CO 0.06 -0.09 0.06 -0.32 -3.33 0.00 0.00 175.10 171.47 2chs s MET 92 N -1.61 0.93 -0.25 1.54 1.75 -0.46 -2.50 119.30 118.70 2chs s MET 92 Ca 0.02 -1.10 -0.10 0.00 -1.25 0.00 0.00 55.69 53.26 2chs s MET 92 Cb -0.09 -2.25 -0.04 0.00 2.84 0.00 0.00 34.83 35.28 2chs s MET 92 CO 0.03 -0.89 0.14 1.41 -0.65 0.00 0.00 175.02 175.06 2chs s MET 93 N 1.51 3.94 -0.22 4.11 1.75 0.08 -1.27 119.30 129.20 2chs s MET 93 Ca 0.07 -0.34 -0.12 0.00 -1.25 0.00 0.00 55.69 54.05 2chs s MET 93 Cb -0.18 -3.51 -0.05 0.00 2.84 0.00 0.00 34.83 33.94 2chs s MET 93 CO -0.18 -0.05 0.25 0.99 -0.65 0.00 0.00 175.02 175.37 2chs s THR 94 N 1.35 5.30 0.23 10.11 2.01 -0.35 -0.55 115.64 133.75 2chs s THR 94 Ca 0.07 0.38 0.05 0.00 0.31 0.00 0.00 61.69 62.49 2chs s THR 94 Cb -0.15 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 2chs s THR 94 CO 0.06 0.31 -0.03 0.68 -0.69 0.00 0.00 174.62 174.96 2chs s VAL 95 N 1.13 1.22 -0.20 3.82 -7.23 -0.00 -0.43 120.40 118.70 2chs s VAL 95 Ca 0.12 -2.06 -0.15 0.00 -1.81 0.00 0.00 61.98 58.07 2chs s VAL 95 Cb -0.14 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 2chs s VAL 95 CO 0.06 -0.37 0.38 -1.58 -0.31 0.00 0.00 175.10 173.27 2chs s GLN 96 N -3.81 4.17 0.06 4.82 0.74 0.16 -0.35 119.66 125.45 2chs s GLN 96 Ca 0.27 0.16 -0.26 0.00 0.05 0.00 0.00 55.36 55.59 2chs s GLN 96 Cb 0.05 -3.53 0.07 0.00 1.10 0.00 0.00 33.01 30.69 2chs s GLN 96 CO 0.09 -0.03 0.61 -0.08 -0.55 0.00 0.00 175.29 175.33 2chs s THR 97 N 1.27 0.01 -1.52 -0.34 -1.32 -0.76 -4.94 115.64 108.04 2chs s THR 97 Ca 0.18 -0.05 0.16 0.00 -1.21 0.00 0.00 61.69 60.77 2chs s THR 97 Cb -0.15 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.85 2chs s THR 97 CO 0.08 -0.03 0.87 -0.67 -2.21 0.00 0.00 174.62 172.66 2chs n ASP 98 N 0.22 1.69 -4.72 8.08 2.03 -1.26 -0.13 116.55 122.46 2chs n ASP 98 Ca -0.18 -1.35 -0.42 0.00 0.52 0.00 0.00 54.79 53.37 2chs n ASP 98 Cb 0.61 0.42 -0.03 0.00 -0.72 0.00 0.00 41.12 41.40 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 -1.83 4.00 0.65 5.18 1.01 -1.26 -4.96 120.40 123.18 2chs s VAL 99 Ca 0.14 1.56 -0.16 0.00 0.00 0.00 0.00 61.98 63.51 2chs s VAL 99 Cb 0.13 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 2chs s VAL 99 CO 0.38 0.19 1.16 -2.16 0.00 0.00 0.00 175.10 174.67 2chs s PRO 100 N 0.41 2.74 0.35 2.72 0.04 -1.26 -4.89 135.00 135.11 2chs s PRO 100 Ca 0.54 1.62 0.16 0.00 0.04 0.00 0.00 61.00 63.36 2chs s PRO 100 Cb -0.29 -1.92 1.17 0.00 0.04 0.00 0.00 34.50 33.50 2chs s PRO 100 CO 0.32 -1.34 1.62 0.37 0.04 0.00 0.00 177.00 178.00 2chs h GLN 101 N 0.30 0.14 0.00 4.56 4.15 -1.99 0.10 115.11 122.37 2chs h GLN 101 Ca -0.48 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.93 2chs h GLN 101 Cb 1.27 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.93 2chs h GLN 101 CO 0.53 0.09 0.00 -0.40 -1.93 0.00 0.00 178.83 177.13 2chs n ASP 102 N -5.19 0.00 -0.58 -0.69 5.68 -1.26 -3.31 116.55 111.20 2chs n ASP 102 Ca 0.34 -0.61 0.09 0.00 -0.50 0.00 0.00 54.79 54.10 2chs n ASP 102 Cb 1.10 -0.13 0.04 0.00 -1.14 0.00 0.00 41.12 40.99 2chs n ASP 102 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2chs n GLN 103 N -1.13 1.56 -2.20 0.11 6.02 0.35 -4.95 117.38 117.14 2chs n GLN 103 Ca 0.20 -1.26 -0.42 0.00 -0.01 0.00 0.00 57.00 55.51 2chs n GLN 103 Cb 0.17 -1.33 -0.03 0.00 1.02 0.00 0.00 30.24 30.07 2chs n GLN 103 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2chs s ILE 104 N -1.73 3.23 -0.60 5.09 -1.09 -1.21 -4.97 121.20 119.92 2chs s ILE 104 Ca 0.18 0.96 -0.19 0.00 -2.23 0.00 0.00 60.65 59.38 2chs s ILE 104 Cb 0.15 -3.62 0.10 0.00 -1.58 0.00 0.00 42.46 37.51 2chs s ILE 104 CO 0.32 0.12 0.71 -0.13 -1.23 0.00 0.00 174.94 174.73 2chs s ARG 105 N 0.31 3.05 0.12 2.79 1.81 -1.26 -5.03 118.95 120.73 2chs s ARG 105 Ca 0.59 -1.33 -0.24 0.00 -1.72 0.00 0.00 55.73 53.03 2chs s ARG 105 Cb -0.37 -4.27 -0.07 0.00 -0.45 0.00 0.00 34.95 29.79 2chs s ARG 105 CO 0.36 -1.55 0.74 -1.01 -0.68 0.00 0.00 175.30 173.16 2chs s HIS 106 N 2.68 3.85 -0.13 -0.53 3.76 -1.26 -4.79 115.29 118.87 2chs s HIS 106 Ca 0.12 1.53 0.01 0.00 -0.15 0.00 0.00 55.06 56.56 2chs s HIS 106 Cb -0.24 -2.74 -0.01 0.00 1.11 0.00 0.00 32.58 30.70 2chs s HIS 106 CO 0.06 0.46 -0.16 0.08 -0.85 0.00 0.00 174.74 174.33 2chs s VAL 107 N -0.85 2.77 -0.14 -0.90 1.01 -0.77 -5.00 120.40 116.52 2chs s VAL 107 Ca 0.35 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 2chs s VAL 107 Cb -0.22 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.05 2chs s VAL 107 CO 0.24 0.53 -0.09 -0.31 0.00 0.00 0.00 175.10 175.47 2chs s TYR 108 N 0.41 1.82 0.33 5.22 1.51 -1.26 -1.52 117.35 123.85 2chs s TYR 108 Ca -0.12 -1.02 0.09 0.00 -1.01 0.00 0.00 57.07 55.01 2chs s TYR 108 Cb -0.16 -1.40 -0.06 0.00 -0.11 0.00 0.00 41.96 40.23 2chs s TYR 108 CO 0.06 -0.60 -0.10 -0.51 -1.11 0.00 0.00 175.55 173.28 2chs s LEU 109 N 1.60 2.68 0.00 -1.29 1.43 -0.09 -4.41 118.68 118.60 2chs s LEU 109 Ca 0.04 -1.17 0.00 0.00 -1.03 0.00 0.00 54.13 51.96 2chs s LEU 109 Cb -0.13 -0.96 0.00 0.00 0.03 0.00 0.00 46.19 45.13 2chs s LEU 109 CO -0.09 -0.19 0.00 -0.62 0.23 0.00 0.00 176.35 175.68 2chs n GLU 110 N -0.74 0.00 0.10 1.70 -0.58 -1.26 -1.88 120.64 117.98 2chs n GLU 110 Ca -0.05 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.82 2chs n GLU 110 Cb 0.63 0.00 0.44 0.00 -0.57 0.00 0.00 31.44 31.94 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 0.22 0.00 3.49 5.02 -1.26 -2.76 118.16 136.88 2chs n LYS 111 Ca 0.00 0.21 0.08 0.00 -2.02 0.00 0.00 58.31 56.59 2chs n LYS 111 Cb 0.00 -1.78 0.45 0.00 -0.02 0.00 0.00 35.03 33.68 2chs n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2chs n ALA 112 N -1.75 1.99 -0.12 7.82 0.00 -0.79 -2.51 120.51 125.15 2chs n ALA 112 Ca 0.05 -0.09 0.24 0.00 0.00 0.00 0.00 53.44 53.64 2chs n ALA 112 Cb 0.40 -1.27 0.68 0.00 0.00 0.00 0.00 19.45 19.26 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 0.64 0.00 0.00 -1.51 -1.62 0.02 116.25 113.78 2chs h VAL 113 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 2chs h VAL 113 Cb 0.09 0.57 0.00 0.00 -2.13 0.00 0.00 31.29 29.82 2chs h VAL 113 CO 0.00 0.01 0.00 0.55 -1.23 0.00 0.00 177.57 176.90 2chs n VAL 114 N -4.34 1.26 1.02 7.19 3.14 -1.04 -5.03 118.33 120.52 2chs n VAL 114 Ca 0.15 0.35 0.12 0.00 -2.96 0.00 0.00 64.34 62.00 2chs n VAL 114 Cb 0.79 -1.21 0.11 0.00 -1.06 0.00 0.00 33.84 32.47 2chs n VAL 114 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55