#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cht s ILE 3 N 0.00 1.66 0.06 1.12 -1.09 -1.26 0.36 121.20 122.05 2cht s ILE 3 Ca 0.00 -0.78 0.03 0.00 -2.23 0.00 0.00 60.65 57.67 2cht s ILE 3 Cb 0.00 -1.46 -0.03 0.00 -1.58 0.00 0.00 42.46 39.39 2cht s ILE 3 CO 0.00 0.47 -0.10 -0.13 -1.23 0.00 0.00 174.94 173.95 2cht s ARG 4 N 0.50 0.66 0.33 2.79 0.52 0.10 -4.89 118.95 118.96 2cht s ARG 4 Ca -0.17 -0.90 -0.08 0.00 -0.52 0.00 0.00 55.73 54.07 2cht s ARG 4 Cb -0.17 -0.45 -0.06 0.00 0.52 0.00 0.00 34.95 34.79 2cht s ARG 4 CO 0.06 0.08 0.65 0.20 0.02 0.00 0.00 175.30 176.31 2cht s GLY 5 N -1.83 1.97 -0.06 -3.53 0.00 -1.26 -0.75 107.32 101.86 2cht s GLY 5 Ca -0.05 -0.35 0.01 0.00 0.00 0.00 0.00 44.72 44.34 2cht s GLY 5 CO 0.00 -0.20 -0.09 -0.42 0.00 0.00 0.00 173.10 172.40 2cht s ILE 6 N -2.15 0.90 0.04 0.90 1.01 0.68 -4.95 121.20 117.62 2cht s ILE 6 Ca 0.48 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.82 2cht s ILE 6 Cb -0.11 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 2cht s ILE 6 CO 0.29 0.31 0.09 -0.13 0.00 0.00 0.00 174.94 175.49 2cht s ARG 7 N 0.88 3.01 0.22 2.79 1.81 -1.26 -0.93 118.95 125.48 2cht s ARG 7 Ca -0.11 -0.58 -0.10 0.00 -1.72 0.00 0.00 55.73 53.23 2cht s ARG 7 Cb -0.15 -2.81 -0.01 0.00 -0.45 0.00 0.00 34.95 31.53 2cht s ARG 7 CO 0.01 0.61 0.37 0.20 -0.68 0.00 0.00 175.30 175.81 2cht s GLY 8 N -2.09 0.73 -0.27 -3.53 0.00 -0.75 -1.62 107.32 99.79 2cht s GLY 8 Ca 0.27 -1.06 -0.26 0.00 0.00 0.00 0.00 44.72 43.67 2cht s GLY 8 CO 0.19 -0.83 1.04 0.00 0.00 0.00 0.00 173.10 173.49 2cht s ALA 9 N -4.04 -1.97 0.21 3.20 0.00 -0.96 -1.84 121.76 116.36 2cht s ALA 9 Ca 0.25 1.83 -0.10 0.00 0.00 0.00 0.00 51.96 53.95 2cht s ALA 9 Cb 0.02 -1.35 -0.01 0.00 0.00 0.00 0.00 23.12 21.78 2cht s ALA 9 CO 0.08 -0.24 0.35 -0.08 0.00 0.00 0.00 175.76 175.87 2cht s THR 10 N 0.05 0.02 0.02 0.00 -1.32 -0.41 -0.72 115.64 113.28 2cht s THR 10 Ca 0.03 -1.47 0.05 0.00 -1.21 0.00 0.00 61.69 59.08 2cht s THR 10 Cb -0.04 -2.10 -0.02 0.00 -1.51 0.00 0.00 72.50 68.83 2cht s THR 10 CO -0.05 -0.11 -0.14 0.42 -2.21 0.00 0.00 174.62 172.53 2cht s THR 11 N -4.02 1.11 0.08 5.08 -4.23 -1.25 -1.54 115.64 110.87 2cht s THR 11 Ca 0.23 -0.84 0.01 0.00 -1.18 0.00 0.00 61.69 59.92 2cht s THR 11 Cb 0.02 -0.97 -0.04 0.00 1.34 0.00 0.00 72.50 72.85 2cht s THR 11 CO 0.06 0.13 0.19 0.68 -0.54 0.00 0.00 174.62 175.13 2cht s VAL 12 N -0.64 5.14 -0.01 2.29 -7.23 -0.36 -4.69 120.40 114.90 2cht s VAL 12 Ca 0.03 -0.56 0.12 0.00 -1.81 0.00 0.00 61.98 59.76 2cht s VAL 12 Cb -0.07 -3.53 -0.19 0.00 0.56 0.00 0.00 36.38 33.16 2cht s VAL 12 CO 0.01 0.09 0.95 -0.08 -0.31 0.00 0.00 175.10 175.76 2cht h GLU 13 N 2.94 0.00 -4.79 4.82 4.57 -1.92 -3.45 114.58 116.75 2cht h GLU 13 Ca -0.46 0.00 -0.37 0.00 -1.18 0.00 0.00 59.36 57.35 2cht h GLU 13 Cb 1.17 0.00 -0.26 0.00 -0.16 0.00 0.00 28.75 29.50 2cht h GLU 13 CO 0.72 0.63 -0.77 1.03 -1.18 0.00 0.00 179.01 179.44 2cht s ARG 14 N -2.71 0.68 -1.28 1.92 0.52 -1.26 -5.06 118.95 111.76 2cht s ARG 14 Ca -0.02 -0.53 -0.17 0.00 -0.52 0.00 0.00 55.73 54.48 2cht s ARG 14 Cb 0.09 -0.62 0.01 0.00 0.52 0.00 0.00 34.95 34.95 2cht s ARG 14 CO 0.81 0.15 1.98 -3.47 0.02 0.00 0.00 175.30 174.80 2cht n ASP 15 N 2.25 3.97 -4.63 0.23 2.03 -1.26 -4.63 116.55 114.51 2cht n ASP 15 Ca -0.17 -2.83 -0.28 0.00 0.52 0.00 0.00 54.79 52.03 2cht n ASP 15 Cb 0.56 -1.63 -0.11 0.00 -0.72 0.00 0.00 41.12 39.23 2cht n ASP 15 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2cht s THR 16 N 4.68 1.89 0.01 5.18 -4.23 -1.26 -4.56 115.64 117.35 2cht s THR 16 Ca 0.53 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.82 2cht s THR 16 Cb 0.09 -2.90 -0.17 0.00 1.34 0.00 0.00 72.50 70.86 2cht s THR 16 CO 0.02 0.00 1.30 -0.08 -0.54 0.00 0.00 174.62 175.33 2cht h GLU 17 N 1.73 0.23 -0.70 3.99 4.81 -1.90 -2.47 114.58 120.26 2cht h GLU 17 Ca -0.44 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 58.68 2cht h GLU 17 Cb 1.25 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 2cht h GLU 17 CO 0.80 0.67 0.46 1.49 -0.73 0.00 0.00 179.01 181.70 2cht h GLU 18 N -0.19 0.90 0.04 1.92 4.81 -1.96 -1.08 114.58 119.00 2cht h GLU 18 Ca 0.01 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2cht h GLU 18 Cb 0.63 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2cht h GLU 18 CO 0.03 0.59 -0.02 1.49 -0.73 0.00 0.00 179.01 180.37 2cht h GLU 19 N 0.92 -0.05 0.00 1.92 4.57 -1.84 -1.87 114.58 118.24 2cht h GLU 19 Ca 0.26 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 2cht h GLU 19 Cb -0.06 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 2cht h GLU 19 CO -0.06 0.36 0.00 -0.89 -1.18 0.00 0.00 179.01 177.24 2cht n ILE 20 N -4.91 0.00 -0.25 2.32 5.41 -0.94 -2.43 119.36 118.55 2cht n ILE 20 Ca -0.08 1.46 0.05 0.00 1.00 0.00 0.00 62.75 65.17 2cht n ILE 20 Cb 0.22 -2.46 0.16 0.00 -0.71 0.00 0.00 39.64 36.86 2cht n ILE 20 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2cht h LEU 21 N 0.00 -0.29 -0.33 1.39 3.38 -1.33 0.32 115.31 118.46 2cht h LEU 21 Ca 0.00 0.19 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 2cht h LEU 21 Cb 0.00 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2cht h LEU 21 CO 0.00 -0.16 -0.18 -0.61 0.09 0.00 0.00 178.44 177.58 2cht h GLN 22 N 0.12 0.70 -0.25 1.13 4.15 -1.45 -1.02 115.11 118.50 2cht h GLN 22 Ca 0.41 -0.32 -0.09 0.00 0.77 0.00 0.00 58.65 59.43 2cht h GLN 22 Cb 0.73 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 2cht h GLN 22 CO -0.64 0.92 -0.18 0.87 -1.93 0.00 0.00 178.83 177.86 2cht h LYS 23 N 0.47 0.57 -0.95 1.69 1.79 -1.04 -1.52 116.57 117.58 2cht h LYS 23 Ca 0.07 -0.28 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 2cht h LYS 23 Cb 0.72 -0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.32 2cht h LYS 23 CO 0.05 0.86 0.61 1.15 -1.08 0.00 0.00 179.45 181.04 2cht h THR 24 N 0.29 1.25 -0.45 -0.16 2.02 -0.96 -2.05 112.91 112.84 2cht h THR 24 Ca 0.05 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 2cht h THR 24 Cb 0.72 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 2cht h THR 24 CO 0.05 0.25 0.26 0.50 0.37 0.00 0.00 175.52 176.95 2cht h LYS 25 N 1.30 0.62 -0.23 6.66 3.64 -0.87 -1.50 116.57 126.20 2cht h LYS 25 Ca 0.35 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.68 2cht h LYS 25 Cb -0.12 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.55 2cht h LYS 25 CO -0.07 0.48 0.08 1.96 -2.27 0.00 0.00 179.45 179.63 2cht h GLN 26 N 0.60 0.19 0.35 1.90 4.20 -0.91 -0.44 115.11 121.00 2cht h GLN 26 Ca 0.16 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 2cht h GLN 26 Cb 0.02 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 2cht h GLN 26 CO -0.03 0.13 -0.49 1.25 -0.67 0.00 0.00 178.83 179.01 2cht h LEU 27 N 0.19 -1.41 -0.81 1.46 5.85 -1.19 -1.00 115.31 118.41 2cht h LEU 27 Ca 0.10 0.13 0.07 0.00 0.84 0.00 0.00 57.88 59.02 2cht h LEU 27 Cb 0.06 0.48 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 2cht h LEU 27 CO -0.09 -0.60 0.49 -0.07 -0.34 0.00 0.00 178.44 177.82 2cht h LEU 28 N -0.88 0.74 -1.79 2.25 3.38 -1.12 0.10 115.31 117.99 2cht h LEU 28 Ca -0.04 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2cht h LEU 28 Cb 0.80 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2cht h LEU 28 CO -0.14 0.46 -0.13 -0.33 0.09 0.00 0.00 178.44 178.39 2cht h GLU 29 N 0.86 0.00 0.23 1.13 5.08 -0.88 0.48 114.58 121.48 2cht h GLU 29 Ca 0.37 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.41 2cht h GLU 29 Cb 0.24 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.52 2cht h GLU 29 CO -0.20 0.13 -1.39 -0.22 -1.00 0.00 0.00 179.01 176.33 2cht h LYS 30 N 0.00 0.54 -0.17 2.33 1.63 0.21 -1.36 116.57 119.76 2cht h LYS 30 Ca -0.00 -0.89 0.04 0.00 -0.85 0.00 0.00 60.65 58.95 2cht h LYS 30 Cb 0.24 0.33 -0.04 0.00 -0.60 0.00 0.00 32.23 32.15 2cht h LYS 30 CO 0.02 1.42 -0.08 0.82 -3.45 0.00 0.00 179.45 178.18 2cht h ILE 31 N 0.12 0.75 0.30 2.00 2.04 -0.26 -0.04 117.51 122.41 2cht h ILE 31 Ca -0.24 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 2cht h ILE 31 Cb 2.09 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 38.89 2cht h ILE 31 CO 0.26 0.00 -0.52 0.40 0.00 0.00 0.00 178.15 178.29 2cht h ILE 32 N -0.06 0.00 -0.12 -0.67 2.04 -1.00 0.52 117.51 118.23 2cht h ILE 32 Ca 0.09 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.00 2cht h ILE 32 Cb 0.19 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.21 2cht h ILE 32 CO -0.20 0.00 -0.28 -0.08 0.00 0.00 0.00 178.15 177.59 2cht h GLU 33 N -0.87 -0.34 -0.54 2.37 4.81 -0.93 0.60 114.58 119.67 2cht h GLU 33 Ca -0.03 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2cht h GLU 33 Cb 0.81 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 2cht h GLU 33 CO -0.18 -0.23 0.20 0.93 -0.73 0.00 0.00 179.01 179.00 2cht h GLU 34 N -0.36 0.79 -0.24 1.92 4.39 -0.94 -3.00 114.58 117.13 2cht h GLU 34 Ca 0.10 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2cht h GLU 34 Cb 0.50 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2cht h GLU 34 CO -0.32 0.66 0.00 0.09 -1.16 0.00 0.00 179.01 178.28 2cht n ASN 35 N -4.33 3.07 -3.75 1.42 3.02 0.17 -4.83 115.26 110.02 2cht n ASN 35 Ca 0.04 -1.91 -0.23 0.00 -0.03 0.00 0.00 54.58 52.46 2cht n ASN 35 Cb 0.17 -0.15 0.03 0.00 -0.61 0.00 0.00 39.78 39.22 2cht n ASN 35 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2cht n HIS 36 N 1.23 -1.96 -2.98 3.10 8.25 0.20 -4.92 115.22 118.15 2cht n HIS 36 Ca 0.15 0.85 -0.37 0.00 -0.26 0.00 0.00 57.72 58.09 2cht n HIS 36 Cb 0.54 -4.29 -0.06 0.00 1.12 0.00 0.00 29.99 27.29 2cht n HIS 36 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2cht s THR 37 N -3.63 4.41 -0.05 1.59 2.01 -0.81 -5.04 115.64 114.12 2cht s THR 37 Ca 0.11 1.56 0.04 0.00 0.31 0.00 0.00 61.69 63.71 2cht s THR 37 Cb -0.05 -3.99 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 2cht s THR 37 CO 0.82 0.29 -0.18 -0.54 -0.69 0.00 0.00 174.62 174.31 2cht s LYS 38 N -1.75 2.54 0.26 4.92 -0.14 -1.26 -4.94 119.74 119.37 2cht s LYS 38 Ca 0.43 -0.77 -0.02 0.00 -1.36 0.00 0.00 55.97 54.24 2cht s LYS 38 Cb -0.19 -2.31 0.45 0.00 -1.68 0.00 0.00 37.83 34.10 2cht s LYS 38 CO 0.23 0.52 1.83 -1.35 -0.76 0.00 0.00 175.35 175.83 2cht h PRO 39 N 5.65 0.91 0.00 -1.68 0.11 -1.94 0.44 132.00 135.49 2cht h PRO 39 Ca -0.41 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2cht h PRO 39 Cb 1.16 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2cht h PRO 39 CO 0.50 0.60 0.00 1.05 -0.21 0.00 0.00 178.00 179.94 2cht h GLU 40 N 0.93 0.00 -0.02 1.05 9.09 -1.97 -1.92 114.58 121.75 2cht h GLU 40 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.85 2cht h GLU 40 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 2cht h GLU 40 CO -0.24 0.00 -0.05 -0.25 0.05 0.00 0.00 179.01 178.53 2cht n ASP 41 N -2.92 2.35 -4.67 3.06 8.00 0.14 -4.85 116.55 117.66 2cht n ASP 41 Ca -0.02 -1.75 -0.40 0.00 0.71 0.00 0.00 54.79 53.33 2cht n ASP 41 Cb 0.13 0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.21 2cht n ASP 41 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2cht s VAL 42 N -2.06 5.05 -0.04 2.53 1.01 -0.72 -0.57 120.40 125.60 2cht s VAL 42 Ca 0.30 1.13 -0.24 0.00 0.00 0.00 0.00 61.98 63.18 2cht s VAL 42 Cb 0.20 -3.92 -0.22 0.00 0.00 0.00 0.00 36.38 32.44 2cht s VAL 42 CO 0.34 0.14 1.07 0.58 0.00 0.00 0.00 175.10 177.24 2cht h VAL 43 N 5.12 1.52 -1.99 2.92 2.07 -0.76 -3.48 116.25 121.65 2cht h VAL 43 Ca -0.33 -1.83 0.25 0.00 0.82 0.00 0.00 66.70 65.61 2cht h VAL 43 Cb 1.15 2.65 -0.09 0.00 -1.52 0.00 0.00 31.29 33.48 2cht h VAL 43 CO 0.76 0.50 0.67 0.00 0.02 0.00 0.00 177.57 179.53 2cht s GLN 44 N -3.31 0.83 -0.05 1.57 -2.07 -1.20 -4.62 119.66 110.81 2cht s GLN 44 Ca -0.16 -0.48 -0.07 0.00 -1.82 0.00 0.00 55.36 52.83 2cht s GLN 44 Cb 0.01 0.27 0.02 0.00 -1.09 0.00 0.00 33.01 32.22 2cht s GLN 44 CO 0.74 -0.38 0.19 1.41 -1.32 0.00 0.00 175.29 175.92 2cht s MET 45 N -2.68 0.30 0.04 9.60 1.75 -0.24 -0.93 119.30 127.14 2cht s MET 45 Ca 0.16 0.10 0.07 0.00 -1.25 0.00 0.00 55.69 54.77 2cht s MET 45 Cb 0.01 0.14 -0.02 0.00 2.84 0.00 0.00 34.83 37.80 2cht s MET 45 CO 0.00 -0.05 -0.21 -0.51 -0.65 0.00 0.00 175.02 173.60 2cht s LEU 46 N -0.30 2.15 -0.02 4.11 1.43 -0.52 -2.14 118.68 123.39 2cht s LEU 46 Ca -0.04 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.58 2cht s LEU 46 Cb -0.03 -1.01 -0.00 0.00 0.03 0.00 0.00 46.19 45.18 2cht s LEU 46 CO 0.01 0.18 -0.09 -0.76 0.23 0.00 0.00 176.35 175.92 2cht s LEU 47 N -1.08 1.90 -0.00 1.79 1.02 -0.82 -1.83 118.68 119.65 2cht s LEU 47 Ca 0.08 -0.17 0.08 0.00 0.02 0.00 0.00 54.13 54.14 2cht s LEU 47 Cb -0.09 -0.49 -0.02 0.00 0.02 0.00 0.00 46.19 45.61 2cht s LEU 47 CO 0.01 0.08 -0.25 -0.94 0.02 0.00 0.00 176.35 175.28 2cht s SER 48 N -0.00 2.93 0.10 2.29 1.04 -0.00 -0.89 113.70 119.16 2cht s SER 48 Ca 0.00 -0.48 0.10 0.00 0.48 0.00 0.00 55.95 56.05 2cht s SER 48 Cb -0.06 -0.31 -0.04 0.00 0.10 0.00 0.00 66.02 65.72 2cht s SER 48 CO -0.00 0.29 -0.26 0.00 0.98 0.00 0.00 173.24 174.25 2cht s ALA 49 N -0.64 2.24 0.49 5.32 0.00 -0.96 -1.13 121.76 127.09 2cht s ALA 49 Ca 0.10 -1.37 -0.20 0.00 0.00 0.00 0.00 51.96 50.48 2cht s ALA 49 Cb -0.10 -0.38 -0.08 0.00 0.00 0.00 0.00 23.12 22.56 2cht s ALA 49 CO -0.00 0.51 1.07 0.95 0.00 0.00 0.00 175.76 178.28 2cht s THR 50 N -1.00 3.61 -1.58 0.00 -4.23 -0.67 -1.71 115.64 110.06 2cht s THR 50 Ca 0.12 1.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.66 2cht s THR 50 Cb -0.10 -3.43 0.00 0.00 1.34 0.00 0.00 72.50 70.31 2cht s THR 50 CO 0.05 -0.19 0.61 -0.81 -0.54 0.00 0.00 174.62 173.73 2cht n PRO 51 N -0.96 0.00 -0.25 3.99 -0.04 -1.26 -0.71 135.00 135.77 2cht n PRO 51 Ca 0.09 0.13 0.08 0.00 -0.04 0.00 0.00 63.50 63.77 2cht n PRO 51 Cb 0.52 -1.51 0.22 0.00 -0.04 0.00 0.00 33.50 32.69 2cht n PRO 51 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2cht n ASP 52 N -1.11 2.63 -4.29 3.54 5.75 -1.26 -4.88 116.55 116.94 2cht n ASP 52 Ca 0.00 -2.00 -0.32 0.00 -0.01 0.00 0.00 54.79 52.47 2cht n ASP 52 Cb 0.01 -0.33 -0.16 0.00 -1.03 0.00 0.00 41.12 39.61 2cht n ASP 52 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2cht s LEU 53 N -1.01 2.20 0.00 -2.12 1.43 0.12 -4.90 118.68 114.39 2cht s LEU 53 Ca 0.33 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 2cht s LEU 53 Cb 0.17 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.98 2cht s LEU 53 CO 0.23 0.24 0.00 1.41 0.23 0.00 0.00 176.35 178.45 2cht n HIS 54 N 3.01 0.00 -0.31 0.29 8.25 -1.26 -4.92 115.22 120.27 2cht n HIS 54 Ca -0.18 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.45 2cht n HIS 54 Cb 0.52 0.00 0.35 0.00 1.12 0.00 0.00 29.99 31.99 2cht n HIS 54 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2cht h ALA 55 N 0.00 1.54 -2.76 -1.41 0.00 -1.88 -3.44 119.26 111.30 2cht h ALA 55 Ca 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2cht h ALA 55 Cb 0.00 0.23 -0.13 0.00 0.00 0.00 0.00 17.79 17.88 2cht h ALA 55 CO 0.00 -0.47 0.01 0.54 0.00 0.00 0.00 179.25 179.34 2cht s VAL 56 N -5.84 0.04 0.07 0.00 0.11 -1.26 -4.81 120.40 108.71 2cht s VAL 56 Ca -0.11 -0.37 -0.30 0.00 -2.93 0.00 0.00 61.98 58.27 2cht s VAL 56 Cb 0.27 -1.08 -0.05 0.00 -1.53 0.00 0.00 36.38 33.99 2cht s VAL 56 CO 0.78 -0.20 1.07 -0.36 -3.33 0.00 0.00 175.10 173.06 2cht s PHE 57 N -3.48 3.59 0.49 1.54 0.08 -1.26 -4.92 117.98 114.03 2cht s PHE 57 Ca 0.01 1.56 0.19 0.00 0.12 0.00 0.00 56.93 58.80 2cht s PHE 57 Cb 0.01 -3.24 1.23 0.00 -0.57 0.00 0.00 43.02 40.45 2cht s PHE 57 CO -0.10 -0.51 2.03 -1.35 -0.10 0.00 0.00 175.22 175.19 2cht h PRO 58 N 6.34 0.15 -0.12 0.24 0.11 -1.96 -1.90 132.00 134.87 2cht h PRO 58 Ca -0.42 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.71 2cht h PRO 58 Cb 1.22 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2cht h PRO 58 CO 0.76 0.10 0.19 0.00 -0.21 0.00 0.00 178.00 178.84 2cht h ALA 59 N 1.79 1.57 0.00 -0.75 0.00 -1.95 -0.34 119.26 119.58 2cht h ALA 59 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2cht h ALA 59 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2cht h ALA 59 CO -0.03 -0.25 0.00 -0.22 0.00 0.00 0.00 179.25 178.76 2cht h LYS 60 N 0.00 0.00 0.00 0.00 3.64 -1.74 -1.49 116.57 116.97 2cht h LYS 60 Ca 0.06 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 2cht h LYS 60 Cb 0.43 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2cht h LYS 60 CO -0.00 0.00 -0.63 0.00 -2.27 0.00 0.00 179.45 176.55 2cht h ALA 61 N 2.03 0.78 -0.42 5.00 0.00 -1.27 -3.32 119.26 122.06 2cht h ALA 61 Ca 0.00 -0.57 0.01 0.00 0.00 0.00 0.00 54.91 54.35 2cht h ALA 61 Cb 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2cht h ALA 61 CO 0.00 0.79 0.26 0.28 0.00 0.00 0.00 179.25 180.57 2cht h VAL 62 N 0.00 1.07 0.00 0.00 2.07 -1.43 -1.74 116.25 116.22 2cht h VAL 62 Ca -0.01 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2cht h VAL 62 Cb 1.26 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2cht h VAL 62 CO 0.08 0.10 0.00 0.54 0.02 0.00 0.00 177.57 178.31 2cht n ARG 63 N -4.83 0.66 0.00 1.57 1.74 -1.25 -1.53 116.66 113.03 2cht n ARG 63 Ca 0.01 0.01 0.13 0.00 -0.77 0.00 0.00 57.85 57.23 2cht n ARG 63 Cb 0.04 -1.50 0.74 0.00 -1.02 0.00 0.00 32.46 30.72 2cht n ARG 63 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2cht n GLU 64 N -1.06 0.70 -4.42 5.56 1.02 -0.65 -4.79 120.64 116.99 2cht n GLU 64 Ca 0.17 0.01 -0.34 0.00 -0.02 0.00 0.00 57.16 56.98 2cht n GLU 64 Cb 0.10 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.90 2cht n GLU 64 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2cht s LEU 65 N -2.15 3.20 0.01 -4.62 1.43 -0.58 -5.10 118.68 110.86 2cht s LEU 65 Ca 0.35 -0.15 -0.36 0.00 -1.03 0.00 0.00 54.13 52.94 2cht s LEU 65 Cb 0.18 -1.77 -0.14 0.00 0.03 0.00 0.00 46.19 44.49 2cht s LEU 65 CO 0.32 0.16 1.63 -1.20 0.23 0.00 0.00 176.35 177.49 2cht n SER 66 N 3.57 2.74 0.00 2.29 7.64 -1.26 -1.73 113.62 126.87 2cht n SER 66 Ca -0.17 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.77 2cht n SER 66 Cb 0.52 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 2cht n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cht n GLY 67 N 3.59 1.39 0.06 0.23 0.00 -1.26 -4.87 105.19 104.33 2cht n GLY 67 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 2cht n GLY 67 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2cht n TRP 68 N -2.00 0.48 0.24 1.61 7.02 -0.70 -4.29 117.44 119.80 2cht n TRP 68 Ca 0.00 0.14 0.12 0.00 -1.02 0.00 0.00 57.50 56.74 2cht n TRP 68 Cb 0.00 -0.61 0.49 0.00 -2.42 0.00 0.00 31.31 28.77 2cht n TRP 68 CO 0.00 0.00 0.00 -0.56 -2.02 0.00 0.00 177.69 175.11 2cht h GLN 69 N 0.00 0.00 -0.26 -0.99 -0.00 -1.90 0.40 115.11 112.36 2cht h GLN 69 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2cht h GLN 69 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.18 2cht h GLN 69 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 178.83 179.49 2cht n TYR 70 N -2.90 0.73 -2.71 0.06 4.01 -1.26 -4.95 117.16 110.14 2cht n TYR 70 Ca 0.03 -0.77 -0.43 0.00 -0.16 0.00 0.00 57.90 56.57 2cht n TYR 70 Cb 0.75 -0.22 -0.03 0.00 -0.31 0.00 0.00 39.34 39.53 2cht n TYR 70 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2cht s VAL 71 N -2.27 4.73 -0.09 -0.72 1.01 0.14 -5.00 120.40 118.21 2cht s VAL 71 Ca 0.35 1.95 -0.29 0.00 0.00 0.00 0.00 61.98 63.99 2cht s VAL 71 Cb 0.27 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 2cht s VAL 71 CO 0.10 -0.12 1.74 -2.16 0.00 0.00 0.00 175.10 174.66 2cht s PRO 72 N 2.84 4.01 0.07 2.72 0.04 -1.26 -4.98 135.00 138.44 2cht s PRO 72 Ca 0.43 2.13 0.07 0.00 0.04 0.00 0.00 61.00 63.67 2cht s PRO 72 Cb -0.16 -4.05 -0.03 0.00 0.04 0.00 0.00 34.50 30.30 2cht s PRO 72 CO 0.09 -1.06 -0.19 0.14 0.04 0.00 0.00 177.00 176.02 2cht s VAL 73 N 4.68 1.54 -0.25 -0.36 -7.23 -1.26 -1.08 120.40 116.45 2cht s VAL 73 Ca 0.77 -1.30 -0.14 0.00 -1.81 0.00 0.00 61.98 59.51 2cht s VAL 73 Cb -0.33 -1.38 0.08 0.00 0.56 0.00 0.00 36.38 35.31 2cht s VAL 73 CO 0.32 0.03 0.60 0.28 -0.31 0.00 0.00 175.10 176.02 2cht s THR 74 N -0.98 -0.06 0.75 5.32 -1.32 -0.91 -4.97 115.64 113.47 2cht s THR 74 Ca 0.05 0.03 -0.12 0.00 -1.21 0.00 0.00 61.69 60.45 2cht s THR 74 Cb -0.09 -0.88 0.04 0.00 -1.51 0.00 0.00 72.50 70.07 2cht s THR 74 CO 0.03 0.01 1.12 0.00 -2.21 0.00 0.00 174.62 173.57 2cht s MET 76 N -5.38 1.17 -0.17 0.00 0.23 -0.07 -4.86 119.30 110.23 2cht s MET 76 Ca 0.60 -0.53 -0.07 0.00 -1.03 0.00 0.00 55.69 54.66 2cht s MET 76 Cb -0.12 0.48 -0.04 0.00 -1.53 0.00 0.00 34.83 33.62 2cht s MET 76 CO 0.52 -0.52 0.08 -1.14 -2.03 0.00 0.00 175.02 171.92 2cht s GLN 77 N -3.45 3.88 0.32 3.16 0.74 -1.26 -2.25 119.66 120.80 2cht s GLN 77 Ca 0.06 -0.31 -0.22 0.00 0.05 0.00 0.00 55.36 54.95 2cht s GLN 77 Cb -0.02 -3.21 -0.10 0.00 1.10 0.00 0.00 33.01 30.79 2cht s GLN 77 CO -0.05 0.37 0.87 -2.00 -0.55 0.00 0.00 175.29 173.92 2cht s GLU 78 N 0.11 4.35 0.23 1.67 2.56 -0.69 -4.91 118.70 122.03 2cht s GLU 78 Ca 0.06 1.09 -0.30 0.00 0.00 0.00 0.00 54.97 55.81 2cht s GLU 78 Cb -0.12 -2.64 -0.10 0.00 2.00 0.00 0.00 34.13 33.27 2cht s GLU 78 CO 0.00 0.23 1.46 0.00 -0.56 0.00 0.00 175.26 176.39 2cht s MET 79 N -2.39 4.26 -0.64 4.30 0.23 -1.26 -4.32 119.30 119.48 2cht s MET 79 Ca 0.51 2.31 -0.27 0.00 -1.03 0.00 0.00 55.69 57.21 2cht s MET 79 Cb -0.15 -3.12 -0.01 0.00 -1.53 0.00 0.00 34.83 30.02 2cht s MET 79 CO 0.20 -0.46 1.70 0.34 -2.03 0.00 0.00 175.02 174.78 2cht s ASP 80 N 0.53 5.53 0.01 -1.18 2.15 -1.26 -4.95 116.67 117.50 2cht s ASP 80 Ca 0.61 0.16 -0.01 0.00 0.43 0.00 0.00 52.55 53.74 2cht s ASP 80 Cb -0.42 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.62 2cht s ASP 80 CO 0.41 -2.21 0.15 -0.69 -0.17 0.00 0.00 175.17 172.66 2cht s VAL 81 N 8.13 5.18 -0.33 1.11 1.01 -1.26 -5.04 120.40 129.18 2cht s VAL 81 Ca 0.59 -0.32 -0.28 0.00 0.00 0.00 0.00 61.98 61.96 2cht s VAL 81 Cb -0.12 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 2cht s VAL 81 CO 0.20 0.27 1.78 -0.89 0.00 0.00 0.00 175.10 176.46 2cht s THR 82 N -1.34 3.49 0.00 3.92 2.01 -1.26 -1.17 115.64 121.30 2cht s THR 82 Ca 0.28 0.50 0.00 0.00 0.31 0.00 0.00 61.69 62.78 2cht s THR 82 Cb -0.13 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.71 2cht s THR 82 CO 0.20 -0.43 0.00 0.61 -0.69 0.00 0.00 174.62 174.31 2cht n GLY 83 N 5.41 0.43 3.72 4.40 0.00 -1.26 -5.05 105.19 112.84 2cht n GLY 83 Ca 0.23 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 2cht n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2cht s GLY 84 N -2.94 1.61 -0.21 -0.02 0.00 -0.31 -4.93 107.32 100.51 2cht s GLY 84 Ca 0.00 -0.14 -0.29 0.00 0.00 0.00 0.00 44.72 44.28 2cht s GLY 84 CO 0.00 0.36 1.08 -2.27 0.00 0.00 0.00 173.10 172.27 2cht s LEU 85 N -6.19 4.12 0.58 0.66 2.96 -1.26 -4.98 118.68 114.57 2cht s LEU 85 Ca 0.63 1.45 -0.13 0.00 -0.22 0.00 0.00 54.13 55.87 2cht s LEU 85 Cb -0.17 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 2cht s LEU 85 CO 0.57 -0.68 1.01 -0.54 -1.32 0.00 0.00 176.35 175.39 2cht s LYS 86 N 3.19 3.71 -1.34 1.98 -0.14 -1.26 -4.25 119.74 121.64 2cht s LYS 86 Ca 0.46 0.81 -0.07 0.00 -1.36 0.00 0.00 55.97 55.81 2cht s LYS 86 Cb -0.16 -2.10 0.00 0.00 -1.68 0.00 0.00 37.83 33.88 2cht s LYS 86 CO 0.08 -0.47 0.51 1.63 -0.76 0.00 0.00 175.35 176.34 2cht n LYS 87 N -2.36 -2.57 -4.94 1.68 5.02 -1.26 -4.81 118.16 108.91 2cht n LYS 87 Ca 0.06 0.39 -0.29 0.00 -2.02 0.00 0.00 58.31 56.45 2cht n LYS 87 Cb 0.54 -4.29 -0.15 0.00 -0.02 0.00 0.00 35.03 31.11 2cht n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cht s ILE 89 N -0.70 2.40 0.00 0.00 1.01 -0.59 -1.67 121.20 121.65 2cht s ILE 89 Ca 0.10 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 59.96 2cht s ILE 89 Cb -0.09 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.37 2cht s ILE 89 CO 0.01 0.53 -0.23 -0.13 0.00 0.00 0.00 174.94 175.12 2cht s ARG 90 N 0.82 1.75 0.08 2.79 0.52 -0.28 -1.29 118.95 123.33 2cht s ARG 90 Ca -0.06 -0.87 0.08 0.00 -0.52 0.00 0.00 55.73 54.36 2cht s ARG 90 Cb -0.15 -1.75 -0.03 0.00 0.52 0.00 0.00 34.95 33.53 2cht s ARG 90 CO -0.01 0.47 -0.21 0.54 0.02 0.00 0.00 175.30 176.11 2cht s VAL 91 N -0.61 1.70 -0.27 3.52 0.11 -0.77 -0.82 120.40 123.26 2cht s VAL 91 Ca 0.09 -1.39 -0.01 0.00 -2.93 0.00 0.00 61.98 57.74 2cht s VAL 91 Cb -0.09 -1.51 0.08 0.00 -1.53 0.00 0.00 36.38 33.33 2cht s VAL 91 CO -0.00 0.06 0.05 -0.32 -3.33 0.00 0.00 175.10 171.56 2cht s MET 92 N -1.58 0.90 -0.21 1.54 1.75 -0.76 -1.81 119.30 119.12 2cht s MET 92 Ca 0.07 -0.92 -0.10 0.00 -1.25 0.00 0.00 55.69 53.49 2cht s MET 92 Cb -0.09 -2.19 -0.05 0.00 2.84 0.00 0.00 34.83 35.33 2cht s MET 92 CO 0.03 -0.82 0.15 1.41 -0.65 0.00 0.00 175.02 175.14 2cht s MET 93 N 1.61 4.15 -0.29 4.11 1.75 -0.10 -1.44 119.30 129.08 2cht s MET 93 Ca 0.04 -0.22 -0.09 0.00 -1.25 0.00 0.00 55.69 54.17 2cht s MET 93 Cb -0.18 -3.46 -0.01 0.00 2.84 0.00 0.00 34.83 34.02 2cht s MET 93 CO -0.16 0.22 0.12 0.99 -0.65 0.00 0.00 175.02 175.54 2cht s THR 94 N 0.60 4.48 0.11 10.11 2.01 -0.11 -0.23 115.64 132.61 2cht s THR 94 Ca 0.08 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 61.80 2cht s THR 94 Cb -0.12 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.13 2cht s THR 94 CO 0.00 0.15 -0.19 0.68 -0.69 0.00 0.00 174.62 174.57 2cht s VAL 95 N 1.61 1.62 -0.04 3.82 -7.23 0.07 -0.03 120.40 120.22 2cht s VAL 95 Ca 0.05 -1.56 -0.26 0.00 -1.81 0.00 0.00 61.98 58.40 2cht s VAL 95 Cb -0.16 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.22 2cht s VAL 95 CO 0.05 -0.13 0.81 -1.58 -0.31 0.00 0.00 175.10 173.95 2cht s GLN 96 N -2.01 4.49 0.14 4.82 0.74 0.27 0.01 119.66 128.11 2cht s GLN 96 Ca 0.06 1.09 -0.24 0.00 0.05 0.00 0.00 55.36 56.33 2cht s GLN 96 Cb -0.09 -3.45 0.07 0.00 1.10 0.00 0.00 33.01 30.64 2cht s GLN 96 CO 0.04 0.02 0.61 -0.08 -0.55 0.00 0.00 175.29 175.33 2cht s THR 97 N 0.87 0.00 -0.19 -0.34 -1.32 0.16 -4.91 115.64 109.90 2cht s THR 97 Ca 0.43 -0.01 0.12 0.00 -1.21 0.00 0.00 61.69 61.02 2cht s THR 97 Cb -0.19 -1.00 -0.20 0.00 -1.51 0.00 0.00 72.50 69.60 2cht s THR 97 CO 0.22 -0.00 -0.01 -0.67 -2.21 0.00 0.00 174.62 171.95 2cht n ASP 98 N -0.24 1.05 -4.62 8.08 2.03 -1.26 0.00 116.55 121.58 2cht n ASP 98 Ca -0.17 -0.03 -0.50 0.00 0.52 0.00 0.00 54.79 54.61 2cht n ASP 98 Cb 0.64 0.58 -0.05 0.00 -0.72 0.00 0.00 41.12 41.57 2cht n ASP 98 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2cht n VAL 99 N -2.80 0.03 -1.89 5.18 0.31 -1.26 -4.89 118.33 113.01 2cht n VAL 99 Ca -0.32 -0.01 -0.37 0.00 -0.01 0.00 0.00 64.34 63.63 2cht n VAL 99 Cb 1.04 -1.08 0.04 0.00 -0.91 0.00 0.00 33.84 32.93 2cht n VAL 99 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2cht s PRO 100 N 0.61 3.08 0.32 5.55 0.04 -1.26 -4.87 135.00 138.46 2cht s PRO 100 Ca 0.82 2.05 0.10 0.00 0.04 0.00 0.00 61.00 64.00 2cht s PRO 100 Cb -0.85 -2.12 0.93 0.00 0.04 0.00 0.00 34.50 32.50 2cht s PRO 100 CO 0.44 -1.18 1.68 0.37 0.04 0.00 0.00 177.00 178.34 2cht h GLN 101 N 1.24 0.35 0.00 4.56 4.15 -1.99 0.51 115.11 123.93 2cht h GLN 101 Ca -0.51 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.89 2cht h GLN 101 Cb 1.30 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.91 2cht h GLN 101 CO 0.56 0.23 0.00 -0.40 -1.93 0.00 0.00 178.83 177.30 2cht n ASP 102 N -5.05 0.00 -0.40 -0.69 5.68 -1.26 -2.45 116.55 112.39 2cht n ASP 102 Ca 0.28 0.47 0.05 0.00 -0.50 0.00 0.00 54.79 55.09 2cht n ASP 102 Cb 0.84 -0.49 0.04 0.00 -1.14 0.00 0.00 41.12 40.38 2cht n ASP 102 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2cht n GLN 103 N -1.49 0.47 -2.16 0.11 6.02 0.17 -4.98 117.38 115.52 2cht n GLN 103 Ca 0.03 -1.12 -0.42 0.00 -0.01 0.00 0.00 57.00 55.48 2cht n GLN 103 Cb 0.14 -1.19 -0.03 0.00 1.02 0.00 0.00 30.24 30.18 2cht n GLN 103 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2cht s ILE 104 N -0.82 3.20 -0.35 5.09 -1.09 -1.02 -4.95 121.20 121.26 2cht s ILE 104 Ca 0.12 0.90 -0.21 0.00 -2.23 0.00 0.00 60.65 59.23 2cht s ILE 104 Cb 0.08 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 2cht s ILE 104 CO 0.12 0.09 0.67 -0.13 -1.23 0.00 0.00 174.94 174.46 2cht s ARG 105 N 0.68 3.74 -0.10 2.79 1.81 -1.26 -5.04 118.95 121.58 2cht s ARG 105 Ca 0.62 0.16 -0.10 0.00 -1.72 0.00 0.00 55.73 54.69 2cht s ARG 105 Cb -0.37 -3.79 -0.05 0.00 -0.45 0.00 0.00 34.95 30.29 2cht s ARG 105 CO 0.33 -0.73 0.24 -1.01 -0.68 0.00 0.00 175.30 173.45 2cht s HIS 106 N 2.78 3.61 -0.26 -0.53 3.76 -1.26 -4.75 115.29 118.63 2cht s HIS 106 Ca 0.26 0.66 0.01 0.00 -0.15 0.00 0.00 55.06 55.84 2cht s HIS 106 Cb -0.14 -2.11 0.05 0.00 1.11 0.00 0.00 32.58 31.48 2cht s HIS 106 CO 0.15 0.61 -0.08 0.08 -0.85 0.00 0.00 174.74 174.65 2cht s VAL 107 N -0.74 2.51 -0.32 -0.90 1.01 -0.64 -4.97 120.40 116.34 2cht s VAL 107 Ca 0.17 -1.40 -0.05 0.00 0.00 0.00 0.00 61.98 60.70 2cht s VAL 107 Cb -0.13 -2.40 0.04 0.00 0.00 0.00 0.00 36.38 33.89 2cht s VAL 107 CO 0.06 0.04 0.07 -0.31 0.00 0.00 0.00 175.10 174.96 2cht s TYR 108 N 1.20 3.24 0.28 5.22 1.51 -1.26 -2.26 117.35 125.29 2cht s TYR 108 Ca -0.05 -1.50 0.10 0.00 -1.01 0.00 0.00 57.07 54.60 2cht s TYR 108 Cb -0.19 -2.23 -0.04 0.00 -0.11 0.00 0.00 41.96 39.39 2cht s TYR 108 CO -0.04 -0.74 -0.01 -0.51 -1.11 0.00 0.00 175.55 173.14 2cht s LEU 109 N 1.37 3.13 0.00 -1.29 1.43 0.10 -4.18 118.68 119.24 2cht s LEU 109 Ca -0.02 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 2cht s LEU 109 Cb -0.19 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.40 2cht s LEU 109 CO 0.02 -0.05 0.00 -0.62 0.23 0.00 0.00 176.35 175.93 2cht n GLU 110 N -0.90 0.00 0.11 1.70 -0.58 -1.26 -2.17 120.64 117.54 2cht n GLU 110 Ca -0.06 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.81 2cht n GLU 110 Cb 0.60 0.00 0.27 0.00 -0.57 0.00 0.00 31.44 31.74 2cht n GLU 110 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2cht h LYS 111 N 0.00 0.00 0.00 3.49 1.57 -1.92 -3.21 116.57 116.49 2cht h LYS 111 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2cht h LYS 111 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2cht h LYS 111 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 2cht n ALA 112 N -1.88 1.15 0.19 3.86 0.00 -0.92 -1.35 120.51 121.56 2cht n ALA 112 Ca 0.04 -0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.50 2cht n ALA 112 Cb 0.46 -1.03 0.11 0.00 0.00 0.00 0.00 19.45 18.99 2cht n ALA 112 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2cht n VAL 113 N -1.43 1.47 0.86 0.00 0.24 -1.21 -2.10 118.33 116.16 2cht n VAL 113 Ca 0.01 0.37 0.04 0.00 -2.04 0.00 0.00 64.34 62.71 2cht n VAL 113 Cb 0.02 -1.28 0.12 0.00 -1.47 0.00 0.00 33.84 31.23 2cht n VAL 113 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 2cht n VAL 114 N -1.44 0.58 0.44 3.34 3.14 -0.46 -5.09 118.33 118.84 2cht n VAL 114 Ca 0.02 -0.40 0.05 0.00 -2.96 0.00 0.00 64.34 61.05 2cht n VAL 114 Cb 0.05 -0.05 0.04 0.00 -1.06 0.00 0.00 33.84 32.83 2cht n VAL 114 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55