#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 1.96 -0.03 1.12 -4.36 -1.26 -0.36 121.20 118.28 2cht s ILE 3 Ca 0.00 -1.37 -0.07 0.00 -0.26 0.00 0.00 60.65 58.95 2cht s ILE 3 Cb 0.00 -1.69 0.01 0.00 1.25 0.00 0.00 42.46 42.02 2cht s ILE 3 CO 0.00 0.26 0.16 -0.13 0.24 0.00 0.00 174.94 175.47 2cht s ARG 4 N -1.33 0.38 0.40 0.37 0.52 0.19 -4.88 118.95 114.59 2cht s ARG 4 Ca 0.10 -0.14 -0.23 0.00 -0.52 0.00 0.00 55.73 54.95 2cht s ARG 4 Cb -0.10 0.16 -0.11 0.00 0.52 0.00 0.00 34.95 35.43 2cht s ARG 4 CO 0.02 -0.08 0.95 0.20 0.02 0.00 0.00 175.30 176.42 2cht s GLY 5 N -0.79 2.53 -0.23 -3.53 0.00 -1.26 -0.69 107.32 103.35 2cht s GLY 5 Ca -0.09 0.45 0.01 0.00 0.00 0.00 0.00 44.72 45.09 2cht s GLY 5 CO 0.01 0.79 -0.06 -0.42 0.00 0.00 0.00 173.10 173.42 2cht s ILE 6 N -1.98 1.56 0.13 0.90 1.01 0.16 -4.93 121.20 118.05 2cht s ILE 6 Ca 0.58 -1.23 -0.23 0.00 0.00 0.00 0.00 60.65 59.77 2cht s ILE 6 Cb -0.13 -1.81 -0.07 0.00 0.01 0.00 0.00 42.46 40.46 2cht s ILE 6 CO 0.17 -0.09 0.70 -0.13 0.00 0.00 0.00 174.94 175.59 2cht s ARG 7 N 1.38 4.44 0.00 2.79 1.81 -1.26 -1.45 118.95 126.66 2cht s ARG 7 Ca -0.06 1.01 -0.06 0.00 -1.72 0.00 0.00 55.73 54.90 2cht s ARG 7 Cb -0.19 -3.26 -0.00 0.00 -0.45 0.00 0.00 34.95 31.05 2cht s ARG 7 CO -0.06 0.59 0.10 0.20 -0.68 0.00 0.00 175.30 175.45 2cht s GLY 8 N -1.12 0.08 -0.15 -3.53 0.00 -0.92 -2.07 107.32 99.61 2cht s GLY 8 Ca 0.33 -0.20 -0.13 0.00 0.00 0.00 0.00 44.72 44.72 2cht s GLY 8 CO 0.24 -0.33 0.40 0.00 0.00 0.00 0.00 173.10 173.42 2cht s ALA 9 N -1.34 -1.01 0.25 3.20 0.00 -0.54 -0.53 121.76 121.80 2cht s ALA 9 Ca -0.14 1.22 0.04 0.00 0.00 0.00 0.00 51.96 53.07 2cht s ALA 9 Cb -0.08 -0.72 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 2cht s ALA 9 CO 0.01 -0.21 0.15 -2.37 0.00 0.00 0.00 175.76 173.34 2cht n THR 10 N 3.15 0.00 -3.86 0.00 5.66 -0.28 -0.23 114.28 118.71 2cht n THR 10 Ca -0.15 -1.66 -0.12 0.00 -3.05 0.00 0.00 64.05 59.07 2cht n THR 10 Cb 0.57 0.72 -0.13 0.00 -1.55 0.00 0.00 70.33 69.94 2cht n THR 10 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2cht s THR 11 N -2.78 0.02 0.40 1.09 -4.23 -1.26 -1.56 115.64 107.32 2cht s THR 11 Ca 0.21 -0.18 0.08 0.00 -1.18 0.00 0.00 61.69 60.62 2cht s THR 11 Cb 0.01 -0.17 -0.01 0.00 1.34 0.00 0.00 72.50 73.67 2cht s THR 11 CO 0.15 -0.10 0.45 0.68 -0.54 0.00 0.00 174.62 175.26 2cht s VAL 12 N -0.28 3.05 -0.08 2.29 -7.23 -0.26 -4.71 120.40 113.18 2cht s VAL 12 Ca -0.03 -1.18 -0.05 0.00 -1.81 0.00 0.00 61.98 58.91 2cht s VAL 12 Cb -0.02 -3.07 -0.27 0.00 0.56 0.00 0.00 36.38 33.58 2cht s VAL 12 CO 0.00 -0.04 0.54 -0.08 -0.31 0.00 0.00 175.10 175.21 2cht h GLU 13 N 0.90 0.26 -4.11 4.82 4.57 -1.94 -3.45 114.58 115.62 2cht h GLU 13 Ca -0.42 -0.44 -0.11 0.00 -1.18 0.00 0.00 59.36 57.21 2cht h GLU 13 Cb 1.27 0.16 -0.15 0.00 -0.16 0.00 0.00 28.75 29.88 2cht h GLU 13 CO 0.52 1.13 -0.57 1.03 -1.18 0.00 0.00 179.01 179.94 2cht s ARG 14 N -2.58 0.72 -1.25 1.92 0.52 -1.26 -5.06 118.95 111.96 2cht s ARG 14 Ca -0.17 -1.15 -0.16 0.00 -0.52 0.00 0.00 55.73 53.73 2cht s ARG 14 Cb 0.07 0.26 0.12 0.00 0.52 0.00 0.00 34.95 35.91 2cht s ARG 14 CO 0.81 -0.18 1.60 0.34 0.02 0.00 0.00 175.30 177.88 2cht s ASP 15 N -2.91 6.94 0.04 0.23 -1.08 -1.26 -4.69 116.67 113.94 2cht s ASP 15 Ca 0.08 -2.68 -0.01 0.00 -0.52 0.00 0.00 52.55 49.42 2cht s ASP 15 Cb 0.07 -2.50 -0.03 0.00 -1.46 0.00 0.00 42.92 39.00 2cht s ASP 15 CO -0.09 -0.98 -0.03 0.28 0.52 0.00 0.00 175.17 174.86 2cht s THR 16 N 3.03 0.20 0.13 1.71 -1.32 -1.26 -4.67 115.64 113.47 2cht s THR 16 Ca 0.49 -1.54 -0.32 0.00 -1.21 0.00 0.00 61.69 59.11 2cht s THR 16 Cb 0.01 -1.14 -0.10 0.00 -1.51 0.00 0.00 72.50 69.76 2cht s THR 16 CO 0.04 -0.84 1.56 -0.08 -2.21 0.00 0.00 174.62 173.09 2cht h GLU 17 N 3.60 -0.50 -0.91 7.08 4.57 -1.91 -0.86 114.58 125.65 2cht h GLU 17 Ca -0.33 0.03 0.06 0.00 -1.18 0.00 0.00 59.36 57.94 2cht h GLU 17 Cb 1.16 0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 29.81 2cht h GLU 17 CO 0.58 -0.34 0.58 1.49 -1.18 0.00 0.00 179.01 180.15 2cht h GLU 18 N -0.52 1.04 0.05 1.92 4.81 -1.97 0.67 114.58 120.58 2cht h GLU 18 Ca 0.06 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2cht h GLU 18 Cb 0.65 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2cht h GLU 18 CO -0.46 0.69 -0.02 1.49 -0.73 0.00 0.00 179.01 179.98 2cht h GLU 19 N 1.07 -0.06 -0.50 1.92 4.57 -1.85 -0.55 114.58 119.18 2cht h GLU 19 Ca 0.39 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.55 2cht h GLU 19 Cb 0.12 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 2cht h GLU 19 CO -0.16 0.47 0.25 0.82 -1.18 0.00 0.00 179.01 179.21 2cht h ILE 20 N -0.65 1.19 -0.38 2.32 2.04 -0.75 0.80 117.51 122.08 2cht h ILE 20 Ca -0.01 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 2cht h ILE 20 Cb 0.56 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 2cht h ILE 20 CO 0.01 0.21 0.21 -0.07 0.00 0.00 0.00 178.15 178.51 2cht h LEU 21 N 0.66 0.48 0.51 1.44 3.38 -0.93 0.16 115.31 121.01 2cht h LEU 21 Ca 0.17 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2cht h LEU 21 Cb 0.10 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.74 2cht h LEU 21 CO -0.02 0.43 -0.25 -0.61 0.09 0.00 0.00 178.44 178.08 2cht h GLN 22 N 0.49 -0.67 0.00 1.13 4.15 -0.47 0.61 115.11 120.35 2cht h GLN 22 Ca 0.13 0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.55 2cht h GLN 22 Cb 0.06 0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 2cht h GLN 22 CO -0.02 -0.43 -0.22 0.87 -1.93 0.00 0.00 178.83 177.10 2cht h LYS 23 N -0.72 0.00 0.03 1.69 1.79 -0.80 -1.32 116.57 117.23 2cht h LYS 23 Ca -0.07 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.17 2cht h LYS 23 Cb 0.55 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2cht h LYS 23 CO 0.12 0.22 -0.99 1.15 -1.08 0.00 0.00 179.45 178.86 2cht h THR 24 N 0.00 1.43 -0.39 -0.16 2.02 -0.46 -2.14 112.91 113.21 2cht h THR 24 Ca -0.00 -2.59 -0.03 0.00 0.77 0.00 0.00 66.41 64.56 2cht h THR 24 Cb 0.71 2.53 -0.02 0.00 -1.74 0.00 0.00 68.15 69.63 2cht h THR 24 CO 0.03 0.77 0.12 0.50 0.37 0.00 0.00 175.52 177.30 2cht h LYS 25 N 0.18 0.61 -0.53 6.66 3.64 -0.46 -0.57 116.57 126.10 2cht h LYS 25 Ca -0.09 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.11 2cht h LYS 25 Cb 1.65 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.36 2cht h LYS 25 CO 0.17 0.62 0.11 1.96 -2.27 0.00 0.00 179.45 180.03 2cht h GLN 26 N 0.49 0.81 -0.08 1.90 4.20 -1.32 -1.43 115.11 119.69 2cht h GLN 26 Ca 0.13 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2cht h GLN 26 Cb 0.26 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 2cht h GLN 26 CO -0.00 0.75 -0.04 1.25 -0.67 0.00 0.00 178.83 180.11 2cht h LEU 27 N 0.78 0.17 -0.66 1.46 5.85 -0.96 -2.50 115.31 119.45 2cht h LEU 27 Ca 0.17 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2cht h LEU 27 Cb 0.31 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 2cht h LEU 27 CO 0.00 0.56 0.43 -0.07 -0.34 0.00 0.00 178.44 179.02 2cht h LEU 28 N -0.23 0.76 -0.73 2.25 3.38 -0.91 -1.70 115.31 118.13 2cht h LEU 28 Ca 0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2cht h LEU 28 Cb 0.50 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 2cht h LEU 28 CO 0.01 0.56 0.43 -0.33 0.09 0.00 0.00 178.44 179.20 2cht h GLU 29 N 0.89 1.01 -0.59 1.13 5.08 -1.32 -0.48 114.58 120.30 2cht h GLU 29 Ca 0.24 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2cht h GLU 29 Cb -0.09 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 28.93 2cht h GLU 29 CO -0.05 0.73 0.14 -0.22 -1.00 0.00 0.00 179.01 178.61 2cht h LYS 30 N 1.01 0.92 -0.10 2.33 1.63 -0.93 -0.15 116.57 121.28 2cht h LYS 30 Ca 0.26 -0.20 -0.00 0.00 -0.85 0.00 0.00 60.65 59.86 2cht h LYS 30 Cb -0.01 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.49 2cht h LYS 30 CO -0.05 0.83 0.04 0.82 -3.45 0.00 0.00 179.45 177.64 2cht h ILE 31 N 0.88 1.12 0.51 2.00 2.04 -0.68 -2.31 117.51 121.07 2cht h ILE 31 Ca 0.19 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 2cht h ILE 31 Cb 0.33 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 2cht h ILE 31 CO 0.00 0.11 -0.26 0.40 0.00 0.00 0.00 178.15 178.40 2cht h ILE 32 N 0.02 0.47 -0.29 -0.67 2.04 -0.85 -1.00 117.51 117.25 2cht h ILE 32 Ca 0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.96 2cht h ILE 32 Cb 0.13 0.47 -0.08 0.00 -0.74 0.00 0.00 36.82 36.61 2cht h ILE 32 CO -0.00 0.00 -0.27 -0.08 0.00 0.00 0.00 178.15 177.80 2cht h GLU 33 N -0.70 -0.25 -0.36 2.37 4.81 -1.10 0.83 114.58 120.18 2cht h GLU 33 Ca -0.07 0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 2cht h GLU 33 Cb 0.55 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 2cht h GLU 33 CO 0.10 -0.16 -0.20 0.93 -0.73 0.00 0.00 179.01 178.95 2cht h GLU 34 N -0.26 0.69 -0.05 1.92 5.08 -1.34 -3.11 114.58 117.52 2cht h GLU 34 Ca 0.15 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2cht h GLU 34 Cb 0.49 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2cht h GLU 34 CO -0.43 0.84 0.00 0.09 -1.00 0.00 0.00 179.01 178.50 2cht n ASN 35 N -4.13 3.01 -3.70 1.42 3.02 -0.39 -4.89 115.26 109.60 2cht n ASN 35 Ca 0.00 -1.99 -0.23 0.00 -0.03 0.00 0.00 54.58 52.34 2cht n ASN 35 Cb 0.40 -0.02 0.04 0.00 -0.61 0.00 0.00 39.78 39.60 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 1.34 -2.14 -2.80 3.10 8.25 0.28 -4.90 115.22 118.35 2cht n HIS 36 Ca 0.14 0.89 -0.42 0.00 -0.26 0.00 0.00 57.72 58.07 2cht n HIS 36 Cb 0.59 -4.47 -0.03 0.00 1.12 0.00 0.00 29.99 27.20 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 -3.50 4.67 -0.06 1.59 2.01 -0.70 -5.03 115.64 114.61 2cht s THR 37 Ca 0.21 1.49 -0.19 0.00 0.31 0.00 0.00 61.69 63.51 2cht s THR 37 Cb -0.10 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.09 2cht s THR 37 CO 0.80 -0.33 0.54 -0.54 -0.69 0.00 0.00 174.62 174.40 2cht s LYS 38 N 3.25 4.31 0.26 4.92 -0.14 -1.26 -4.91 119.74 126.17 2cht s LYS 38 Ca 0.39 0.60 -0.02 0.00 -1.36 0.00 0.00 55.97 55.58 2cht s LYS 38 Cb -0.13 -3.39 0.46 0.00 -1.68 0.00 0.00 37.83 33.09 2cht s LYS 38 CO 0.13 0.25 1.83 -1.00 -0.76 0.00 0.00 175.35 175.81 2cht h PRO 39 N 6.22 0.92 -0.00 -1.68 0.13 -1.94 -1.69 132.00 133.96 2cht h PRO 39 Ca -0.43 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2cht h PRO 39 Cb 1.19 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 2cht h PRO 39 CO 0.72 0.61 0.00 1.05 -0.23 0.00 0.00 178.00 180.16 2cht h GLU 40 N 0.95 0.00 -0.54 0.86 9.09 -1.94 -0.66 114.58 122.34 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 0.00 -0.25 0.05 0.00 0.00 179.01 178.57 2cht n ASP 41 N -3.41 2.93 -4.59 3.06 8.00 -0.64 -4.84 116.55 117.06 2cht n ASP 41 Ca -0.03 -2.05 -0.40 0.00 0.71 0.00 0.00 54.79 53.01 2cht n ASP 41 Cb 0.08 -0.37 -0.08 0.00 -0.02 0.00 0.00 41.12 40.73 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 -1.37 5.05 0.10 2.53 1.01 -0.26 -0.71 120.40 126.74 2cht s VAL 42 Ca 0.35 0.64 -0.19 0.00 0.00 0.00 0.00 61.98 62.79 2cht s VAL 42 Cb 0.19 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 2cht s VAL 42 CO 0.23 -0.04 1.64 0.58 0.00 0.00 0.00 175.10 177.50 2cht h VAL 43 N 5.50 1.18 -1.63 2.92 2.07 -0.86 -3.46 116.25 121.97 2cht h VAL 43 Ca -0.29 -0.55 0.41 0.00 0.82 0.00 0.00 66.70 67.09 2cht h VAL 43 Cb 1.13 1.06 -0.10 0.00 -1.52 0.00 0.00 31.29 31.86 2cht h VAL 43 CO 0.74 0.18 1.01 0.00 0.02 0.00 0.00 177.57 179.52 2cht s GLN 44 N -5.51 0.03 -0.04 1.57 -2.07 -1.23 -4.72 119.66 107.69 2cht s GLN 44 Ca -0.13 -0.02 -0.08 0.00 -1.82 0.00 0.00 55.36 53.31 2cht s GLN 44 Cb 0.08 0.01 0.01 0.00 -1.09 0.00 0.00 33.01 32.02 2cht s GLN 44 CO 0.72 -0.01 0.18 1.41 -1.32 0.00 0.00 175.29 176.28 2cht s MET 45 N -2.01 0.35 -0.12 9.60 1.75 0.10 -1.37 119.30 127.60 2cht s MET 45 Ca 0.26 0.00 0.02 0.00 -1.25 0.00 0.00 55.69 54.72 2cht s MET 45 Cb 0.03 0.16 0.02 0.00 2.84 0.00 0.00 34.83 37.87 2cht s MET 45 CO -0.04 -0.07 -0.16 -0.51 -0.65 0.00 0.00 175.02 173.59 2cht s LEU 46 N -0.52 1.78 -0.07 4.11 1.43 0.59 -1.88 118.68 124.12 2cht s LEU 46 Ca -0.06 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 2cht s LEU 46 Cb -0.04 -1.16 -0.03 0.00 0.03 0.00 0.00 46.19 44.99 2cht s LEU 46 CO 0.01 0.01 -0.13 -0.76 0.23 0.00 0.00 176.35 175.72 2cht s LEU 47 N 1.05 2.83 0.09 1.79 1.02 -0.34 -0.38 118.68 124.73 2cht s LEU 47 Ca -0.05 -0.18 0.08 0.00 0.02 0.00 0.00 54.13 54.01 2cht s LEU 47 Cb -0.15 -1.59 -0.03 0.00 0.02 0.00 0.00 46.19 44.44 2cht s LEU 47 CO -0.03 0.32 -0.21 -0.94 0.02 0.00 0.00 176.35 175.51 2cht s SER 48 N -0.59 2.49 0.29 2.29 1.04 0.15 -0.93 113.70 118.44 2cht s SER 48 Ca 0.08 -0.64 0.11 0.00 0.48 0.00 0.00 55.95 55.98 2cht s SER 48 Cb -0.11 -0.15 -0.05 0.00 0.10 0.00 0.00 66.02 65.80 2cht s SER 48 CO 0.01 0.08 -0.16 0.00 0.98 0.00 0.00 173.24 174.15 2cht s ALA 49 N -1.07 2.72 0.63 5.32 0.00 -0.91 -1.37 121.76 127.08 2cht s ALA 49 Ca 0.06 -1.92 -0.15 0.00 0.00 0.00 0.00 51.96 49.96 2cht s ALA 49 Cb -0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 2cht s ALA 49 CO 0.04 0.19 1.08 0.95 0.00 0.00 0.00 175.76 178.01 2cht s THR 50 N -2.61 3.63 -0.32 0.00 -4.23 -1.01 -0.85 115.64 110.26 2cht s THR 50 Ca 0.30 0.73 0.03 0.00 -1.18 0.00 0.00 61.69 61.57 2cht s THR 50 Cb -0.02 -3.27 0.03 0.00 1.34 0.00 0.00 72.50 70.58 2cht s THR 50 CO 0.14 -0.50 0.88 -2.65 -0.54 0.00 0.00 174.62 171.95 2cht n PRO 51 N -2.34 0.02 0.01 3.99 -0.02 -1.26 -1.50 135.00 133.90 2cht n PRO 51 Ca 0.09 0.33 0.11 0.00 -2.02 0.00 0.00 63.50 62.02 2cht n PRO 51 Cb 0.53 -1.87 0.04 0.00 -0.02 0.00 0.00 33.50 32.17 2cht n PRO 51 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2cht n ASP 52 N -1.47 0.68 -4.70 2.55 5.68 -1.26 -4.89 116.55 113.14 2cht n ASP 52 Ca -0.00 -0.44 -0.38 0.00 -0.50 0.00 0.00 54.79 53.47 2cht n ASP 52 Cb 0.30 0.75 -0.07 0.00 -1.14 0.00 0.00 41.12 40.96 2cht n ASP 52 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2cht s LEU 53 N -3.44 4.23 0.00 -2.12 1.43 -0.57 -4.91 118.68 113.31 2cht s LEU 53 Ca 0.06 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 2cht s LEU 53 Cb 0.16 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.78 2cht s LEU 53 CO 0.80 -0.02 0.17 1.41 0.23 0.00 0.00 176.35 178.93 2cht n HIS 54 N 3.96 0.00 0.06 0.29 8.25 -1.26 -4.90 115.22 121.63 2cht n HIS 54 Ca -0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.25 2cht n HIS 54 Cb 0.51 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.49 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 0.30 -2.90 -1.41 0.00 -1.90 -3.48 119.26 109.86 2cht h ALA 55 Ca 0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 54.91 53.85 2cht h ALA 55 Cb 0.67 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 18.47 2cht h ALA 55 CO 0.00 1.17 0.23 0.54 0.00 0.00 0.00 179.25 181.19 2cht s VAL 56 N -2.65 0.00 0.06 0.00 0.11 -1.26 -4.60 120.40 112.07 2cht s VAL 56 Ca -0.05 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.70 2cht s VAL 56 Cb 0.08 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.88 2cht s VAL 56 CO 0.85 0.00 1.00 -0.36 -3.33 0.00 0.00 175.10 173.26 2cht s PHE 57 N -3.60 3.70 0.55 1.54 0.08 -1.26 -4.94 117.98 114.05 2cht s PHE 57 Ca 0.01 1.70 0.23 0.00 0.12 0.00 0.00 56.93 59.00 2cht s PHE 57 Cb -0.01 -3.13 1.49 0.00 -0.57 0.00 0.00 43.02 40.80 2cht s PHE 57 CO -0.12 -0.06 2.13 -1.00 -0.10 0.00 0.00 175.22 176.07 2cht h PRO 58 N 6.19 0.00 0.00 0.24 0.13 -1.95 -2.68 132.00 133.93 2cht h PRO 58 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2cht h PRO 58 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2cht h PRO 58 CO 0.74 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.51 2cht n ALA 59 N -2.47 1.21 0.08 -0.56 0.00 -1.26 -1.33 120.51 116.18 2cht n ALA 59 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 2cht n ALA 59 Cb 0.25 -0.99 0.07 0.00 0.00 0.00 0.00 19.45 18.78 2cht n ALA 59 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2cht h LYS 60 N 0.00 0.25 -0.40 0.00 3.64 -1.89 -2.91 116.57 115.26 2cht h LYS 60 Ca 0.00 -0.20 0.04 0.00 -1.27 0.00 0.00 60.65 59.22 2cht h LYS 60 Cb 0.01 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 2cht h LYS 60 CO 0.00 0.85 0.27 0.00 -2.27 0.00 0.00 179.45 178.29 2cht h ALA 61 N 1.10 1.87 -0.12 5.00 0.00 -1.44 -1.96 119.26 123.71 2cht h ALA 61 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2cht h ALA 61 Cb 1.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2cht h ALA 61 CO 0.11 0.07 0.08 0.28 0.00 0.00 0.00 179.25 179.79 2cht h VAL 62 N 0.40 1.02 -0.14 0.00 2.07 -1.67 -0.17 116.25 117.76 2cht h VAL 62 Ca 0.16 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.63 2cht h VAL 62 Cb 0.16 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2cht h VAL 62 CO -0.04 0.03 0.00 0.54 0.02 0.00 0.00 177.57 178.12 2cht n ARG 63 N -4.52 1.85 -0.06 1.57 1.74 -0.73 -2.27 116.66 114.23 2cht n ARG 63 Ca -0.01 -0.73 0.06 0.00 -0.77 0.00 0.00 57.85 56.41 2cht n ARG 63 Cb 0.09 -1.60 0.09 0.00 -1.02 0.00 0.00 32.46 30.02 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 0.13 1.39 -3.94 5.56 1.02 -0.07 -4.91 120.64 119.82 2cht n GLU 64 Ca 0.06 -1.52 -0.35 0.00 -0.02 0.00 0.00 57.16 55.33 2cht n GLU 64 Cb 0.43 -1.26 -0.12 0.00 -0.02 0.00 0.00 31.44 30.47 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 -1.04 3.52 0.01 -4.62 1.43 -0.96 -5.04 118.68 111.98 2cht s LEU 65 Ca 0.18 -0.11 -0.35 0.00 -1.03 0.00 0.00 54.13 52.83 2cht s LEU 65 Cb 0.11 -1.91 -0.13 0.00 0.03 0.00 0.00 46.19 44.29 2cht s LEU 65 CO 0.16 0.06 1.71 -1.20 0.23 0.00 0.00 176.35 177.32 2cht n SER 66 N 4.29 3.11 0.00 2.29 7.64 -1.26 -1.54 113.62 128.14 2cht n SER 66 Ca -0.16 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.75 2cht n SER 66 Cb 0.52 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 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 3.87 0.98 1.60 0.23 0.00 -1.26 -4.95 105.19 105.66 2cht n GLY 67 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.32 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 1.49 0.12 1.61 7.02 -0.59 -4.57 117.44 120.52 2cht n TRP 68 Ca 0.00 -0.59 0.10 0.00 -1.02 0.00 0.00 57.50 55.98 2cht n TRP 68 Cb 0.00 -0.24 0.59 0.00 -2.42 0.00 0.00 31.31 29.24 2cht n TRP 68 CO 0.00 0.00 0.00 0.37 -2.02 0.00 0.00 177.69 176.04 2cht h GLN 69 N 4.11 0.15 -0.47 -0.99 4.15 -1.85 -2.07 115.11 118.14 2cht h GLN 69 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2cht h GLN 69 Cb 1.44 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.10 2cht h GLN 69 CO 0.23 0.10 0.00 0.66 -1.93 0.00 0.00 178.83 177.89 2cht n TYR 70 N -4.49 0.62 -2.65 3.99 4.01 -1.26 -4.90 117.16 112.47 2cht n TYR 70 Ca 0.02 -0.31 -0.41 0.00 -0.16 0.00 0.00 57.90 57.04 2cht n TYR 70 Cb 0.21 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.19 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 -1.38 4.29 -0.34 -0.72 1.01 -0.78 -4.97 120.40 117.51 2cht s VAL 71 Ca 0.40 1.91 -0.29 0.00 0.00 0.00 0.00 61.98 64.00 2cht s VAL 71 Cb 0.22 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.38 2cht s VAL 71 CO 0.30 0.30 1.38 -2.84 0.00 0.00 0.00 175.10 174.24 2cht s PRO 72 N -0.07 3.76 0.05 2.72 0.02 -1.26 -4.99 135.00 135.22 2cht s PRO 72 Ca 0.48 1.15 0.08 0.00 0.02 0.00 0.00 61.00 62.74 2cht s PRO 72 Cb -0.25 -3.96 -0.03 0.00 0.02 0.00 0.00 34.50 30.28 2cht s PRO 72 CO 0.31 -1.33 -0.23 0.14 -0.33 0.00 0.00 177.00 175.57 2cht s VAL 73 N 4.91 1.85 -0.08 3.83 -7.23 -1.26 0.01 120.40 122.43 2cht s VAL 73 Ca 0.60 -1.30 -0.15 0.00 -1.81 0.00 0.00 61.98 59.31 2cht s VAL 73 Cb -0.16 -1.61 0.03 0.00 0.56 0.00 0.00 36.38 35.20 2cht s VAL 73 CO 0.28 0.24 0.36 0.28 -0.31 0.00 0.00 175.10 175.95 2cht s THR 74 N -0.83 0.03 0.75 5.32 -1.32 -0.79 -4.96 115.64 113.83 2cht s THR 74 Ca 0.09 -0.22 -0.05 0.00 -1.21 0.00 0.00 61.69 60.30 2cht s THR 74 Cb -0.09 -0.59 0.11 0.00 -1.51 0.00 0.00 72.50 70.42 2cht s THR 74 CO 0.02 -0.12 1.04 0.00 -2.21 0.00 0.00 174.62 173.35 2cht s MET 76 N -5.28 0.86 -0.19 0.00 0.23 -0.11 -4.82 119.30 110.00 2cht s MET 76 Ca 0.65 -0.37 -0.13 0.00 -1.03 0.00 0.00 55.69 54.81 2cht s MET 76 Cb -0.07 0.36 -0.05 0.00 -1.53 0.00 0.00 34.83 33.54 2cht s MET 76 CO 0.45 -0.38 0.24 -1.14 -2.03 0.00 0.00 175.02 172.17 2cht s GLN 77 N -3.09 4.21 0.46 3.16 0.74 -1.26 -2.15 119.66 121.73 2cht s GLN 77 Ca 0.07 -0.02 -0.20 0.00 0.05 0.00 0.00 55.36 55.26 2cht s GLN 77 Cb -0.01 -3.45 -0.10 0.00 1.10 0.00 0.00 33.01 30.55 2cht s GLN 77 CO -0.06 0.20 1.00 -2.00 -0.55 0.00 0.00 175.29 173.88 2cht s GLU 78 N 0.61 3.99 0.28 1.67 2.56 -0.03 -4.92 118.70 122.86 2cht s GLU 78 Ca 0.13 1.25 -0.29 0.00 0.00 0.00 0.00 54.97 56.06 2cht s GLU 78 Cb -0.13 -2.13 -0.10 0.00 2.00 0.00 0.00 34.13 33.78 2cht s GLU 78 CO 0.03 -0.26 1.15 0.00 -0.56 0.00 0.00 175.26 175.62 2cht s MET 79 N -3.24 4.57 -0.48 4.30 0.23 -1.26 -4.42 119.30 118.99 2cht s MET 79 Ca 0.65 1.90 -0.28 0.00 -1.03 0.00 0.00 55.69 56.93 2cht s MET 79 Cb -0.13 -3.17 -0.01 0.00 -1.53 0.00 0.00 34.83 29.99 2cht s MET 79 CO 0.17 0.10 1.68 0.34 -2.03 0.00 0.00 175.02 175.29 2cht s ASP 80 N -0.72 5.80 -0.12 -1.18 -1.08 -1.26 -4.93 116.67 113.18 2cht s ASP 80 Ca 0.46 0.69 -0.04 0.00 -0.52 0.00 0.00 52.55 53.14 2cht s ASP 80 Cb -0.34 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 38.55 2cht s ASP 80 CO 0.43 -1.89 0.03 -0.69 0.52 0.00 0.00 175.17 173.57 2cht s VAL 81 N 7.22 4.55 -0.57 1.11 1.01 -1.26 -5.02 120.40 127.43 2cht s VAL 81 Ca 0.67 -0.14 -0.26 0.00 0.00 0.00 0.00 61.98 62.25 2cht s VAL 81 Cb -0.15 -2.97 -0.07 0.00 0.00 0.00 0.00 36.38 33.19 2cht s VAL 81 CO 0.27 0.55 2.26 -0.89 0.00 0.00 0.00 175.10 177.30 2cht s THR 82 N -0.41 3.11 0.00 3.92 2.01 -1.26 -1.26 115.64 121.74 2cht s THR 82 Ca 0.09 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.12 2cht s THR 82 Cb -0.12 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.12 2cht s THR 82 CO 0.02 -0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.30 2cht n GLY 83 N 6.07 1.56 3.94 4.40 0.00 -1.26 -5.11 105.19 114.79 2cht n GLY 83 Ca 0.34 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.00 1.56 0.19 -0.02 0.00 -0.39 -5.06 107.32 101.60 2cht s GLY 84 Ca 0.00 -0.95 -0.30 0.00 0.00 0.00 0.00 44.72 43.47 2cht s GLY 84 CO 0.00 -0.92 1.32 -2.27 0.00 0.00 0.00 173.10 171.23 2cht s LEU 85 N -3.69 4.41 0.75 0.66 2.96 -1.26 -4.94 118.68 117.57 2cht s LEU 85 Ca 0.37 2.40 -0.11 0.00 -0.22 0.00 0.00 54.13 56.57 2cht s LEU 85 Cb -0.10 -3.61 0.04 0.00 0.50 0.00 0.00 46.19 43.02 2cht s LEU 85 CO 0.31 -0.54 1.09 -0.54 -1.32 0.00 0.00 176.35 175.34 2cht s LYS 86 N 0.01 2.53 -1.72 1.98 -0.14 -1.26 -4.27 119.74 116.87 2cht s LYS 86 Ca 0.58 0.62 -0.15 0.00 -1.36 0.00 0.00 55.97 55.65 2cht s LYS 86 Cb -0.37 -1.97 0.15 0.00 -1.68 0.00 0.00 37.83 33.96 2cht s LYS 86 CO 0.37 -1.30 0.52 1.63 -0.76 0.00 0.00 175.35 175.81 2cht n LYS 87 N -3.22 -1.75 -3.56 1.68 5.02 -1.26 -4.80 118.16 110.27 2cht n LYS 87 Ca 0.07 0.23 -0.38 0.00 -2.02 0.00 0.00 58.31 56.21 2cht n LYS 87 Cb 0.56 -4.59 -0.06 0.00 -0.02 0.00 0.00 35.03 30.92 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 -1.08 1.67 0.07 0.00 1.01 -0.60 -2.39 121.20 119.87 2cht s ILE 89 Ca 0.23 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 60.10 2cht s ILE 89 Cb -0.16 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 2cht s ILE 89 CO 0.12 0.47 -0.11 -0.13 0.00 0.00 0.00 174.94 175.29 2cht s ARG 90 N 0.30 0.72 -0.00 2.79 0.52 -0.47 -1.12 118.95 121.69 2cht s ARG 90 Ca -0.13 -0.93 0.01 0.00 -0.52 0.00 0.00 55.73 54.17 2cht s ARG 90 Cb -0.15 -0.58 -0.00 0.00 0.52 0.00 0.00 34.95 34.73 2cht s ARG 90 CO 0.05 0.12 -0.04 0.54 0.02 0.00 0.00 175.30 175.99 2cht s VAL 91 N -1.54 0.31 -0.24 3.52 0.11 0.31 -0.67 120.40 122.20 2cht s VAL 91 Ca -0.03 -0.21 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 2cht s VAL 91 Cb -0.09 -0.28 0.04 0.00 -1.53 0.00 0.00 36.38 34.53 2cht s VAL 91 CO 0.01 0.06 -0.10 -0.32 -3.33 0.00 0.00 175.10 171.42 2cht s MET 92 N -0.17 2.64 -0.18 1.54 1.75 0.49 -2.17 119.30 123.20 2cht s MET 92 Ca 0.01 -1.10 -0.06 0.00 -1.25 0.00 0.00 55.69 53.29 2cht s MET 92 Cb -0.02 -2.89 -0.04 0.00 2.84 0.00 0.00 34.83 34.72 2cht s MET 92 CO -0.00 -0.44 0.03 1.41 -0.65 0.00 0.00 175.02 175.38 2cht s MET 93 N 1.24 3.86 -0.29 4.11 1.75 -0.53 -0.30 119.30 129.14 2cht s MET 93 Ca -0.02 -0.41 -0.06 0.00 -1.25 0.00 0.00 55.69 53.95 2cht s MET 93 Cb -0.17 -3.14 0.01 0.00 2.84 0.00 0.00 34.83 34.37 2cht s MET 93 CO -0.06 0.22 0.07 0.99 -0.65 0.00 0.00 175.02 175.59 2cht s THR 94 N 0.48 3.86 0.14 10.11 2.01 -0.47 0.39 115.64 132.16 2cht s THR 94 Ca 0.01 -0.72 0.10 0.00 0.31 0.00 0.00 61.69 61.40 2cht s THR 94 Cb -0.13 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 2cht s THR 94 CO 0.01 0.10 -0.25 0.68 -0.69 0.00 0.00 174.62 174.47 2cht s VAL 95 N 1.48 2.16 -0.04 3.82 -7.23 0.14 -0.14 120.40 120.59 2cht s VAL 95 Ca 0.02 -1.78 -0.27 0.00 -1.81 0.00 0.00 61.98 58.14 2cht s VAL 95 Cb -0.17 -1.94 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 2cht s VAL 95 CO 0.02 0.00 0.88 -1.58 -0.31 0.00 0.00 175.10 174.11 2cht s GLN 96 N -2.18 4.50 -0.08 4.82 0.74 0.11 0.52 119.66 128.08 2cht s GLN 96 Ca 0.14 1.21 -0.30 0.00 0.05 0.00 0.00 55.36 56.47 2cht s GLN 96 Cb -0.09 -3.47 0.10 0.00 1.10 0.00 0.00 33.01 30.65 2cht s GLN 96 CO 0.06 -0.04 0.87 -0.08 -0.55 0.00 0.00 175.29 175.56 2cht s THR 97 N 1.04 0.00 -0.51 -0.34 -1.32 0.52 -4.92 115.64 110.10 2cht s THR 97 Ca 0.46 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 61.06 2cht s THR 97 Cb -0.20 -1.00 0.34 0.00 -1.51 0.00 0.00 72.50 70.14 2cht s THR 97 CO 0.23 0.00 1.27 -0.90 -2.21 0.00 0.00 174.62 173.02 2cht n ASP 98 N 0.51 3.10 -4.66 8.08 5.75 -1.26 -0.17 116.55 127.89 2cht n ASP 98 Ca -0.13 -2.41 -0.42 0.00 -0.01 0.00 0.00 54.79 51.82 2cht n ASP 98 Cb 0.59 -0.32 -0.03 0.00 -1.03 0.00 0.00 41.12 40.33 2cht n ASP 98 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2cht s VAL 99 N -1.74 3.37 0.77 2.12 1.01 -1.26 -4.94 120.40 119.73 2cht s VAL 99 Ca 0.27 0.46 -0.14 0.00 0.00 0.00 0.00 61.98 62.58 2cht s VAL 99 Cb 0.19 -3.30 0.06 0.00 0.00 0.00 0.00 36.38 33.33 2cht s VAL 99 CO 0.11 -0.04 1.21 -2.16 0.00 0.00 0.00 175.10 174.21 2cht s PRO 100 N 4.11 1.88 0.20 2.72 0.04 -1.26 -4.77 135.00 137.92 2cht s PRO 100 Ca 0.79 1.75 -0.09 0.00 0.04 0.00 0.00 61.00 63.48 2cht s PRO 100 Cb -0.37 -1.80 0.28 0.00 0.04 0.00 0.00 34.50 32.65 2cht s PRO 100 CO 0.34 -2.03 1.20 0.94 0.04 0.00 0.00 177.00 177.49 2cht n GLN 101 N -3.03 -0.12 0.00 4.56 7.27 -1.26 -0.58 117.38 124.23 2cht n GLN 101 Ca 0.13 1.20 0.06 0.00 0.07 0.00 0.00 57.00 58.46 2cht n GLN 101 Cb 0.50 -1.78 0.35 0.00 2.41 0.00 0.00 30.24 31.72 2cht n GLN 101 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 2cht n ASP 102 N -5.21 0.00 -0.00 1.69 5.75 -1.26 -2.18 116.55 115.35 2cht n ASP 102 Ca 0.10 -1.17 0.02 0.00 -0.01 0.00 0.00 54.79 53.73 2cht n ASP 102 Cb 0.35 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.42 2cht n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2cht n GLN 103 N -0.74 5.18 -1.97 0.11 1.13 0.26 -4.98 117.38 116.36 2cht n GLN 103 Ca 0.09 -0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.72 2cht n GLN 103 Cb 0.04 -0.71 -0.03 0.00 0.11 0.00 0.00 30.24 29.66 2cht n GLN 103 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2cht s ILE 104 N -1.42 2.93 -0.43 5.09 -1.09 -0.92 -4.93 121.20 120.42 2cht s ILE 104 Ca 0.01 0.54 -0.22 0.00 -2.23 0.00 0.00 60.65 58.75 2cht s ILE 104 Cb 0.02 -3.35 0.02 0.00 -1.58 0.00 0.00 42.46 37.58 2cht s ILE 104 CO 0.13 0.02 0.73 -0.13 -1.23 0.00 0.00 174.94 174.46 2cht s ARG 105 N 1.92 3.41 -0.00 2.79 0.52 -1.26 -5.03 118.95 121.29 2cht s ARG 105 Ca 0.71 -0.14 -0.15 0.00 -0.52 0.00 0.00 55.73 55.62 2cht s ARG 105 Cb -0.41 -3.92 -0.06 0.00 0.52 0.00 0.00 34.95 31.08 2cht s ARG 105 CO 0.31 -1.04 0.43 -1.01 0.02 0.00 0.00 175.30 174.01 2cht s HIS 106 N 3.10 3.72 -0.35 -0.53 3.76 -1.26 -4.82 115.29 118.91 2cht s HIS 106 Ca 0.27 1.01 -0.02 0.00 -0.15 0.00 0.00 55.06 56.18 2cht s HIS 106 Cb -0.13 -2.33 0.08 0.00 1.11 0.00 0.00 32.58 31.30 2cht s HIS 106 CO 0.21 0.59 0.08 0.08 -0.85 0.00 0.00 174.74 174.85 2cht s VAL 107 N -0.92 3.04 -0.20 -0.90 1.01 -0.88 -5.00 120.40 116.54 2cht s VAL 107 Ca 0.24 -1.73 -0.09 0.00 0.00 0.00 0.00 61.98 60.40 2cht s VAL 107 Cb -0.17 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 2cht s VAL 107 CO 0.14 -0.38 0.11 -0.31 0.00 0.00 0.00 175.10 174.66 2cht s TYR 108 N 1.18 3.33 0.36 5.22 1.51 -1.26 -1.47 117.35 126.22 2cht s TYR 108 Ca 0.02 0.21 0.04 0.00 -1.01 0.00 0.00 57.07 56.32 2cht s TYR 108 Cb -0.21 -2.16 -0.05 0.00 -0.11 0.00 0.00 41.96 39.43 2cht s TYR 108 CO -0.03 0.19 0.06 -0.51 -1.11 0.00 0.00 175.55 174.16 2cht s LEU 109 N 0.52 2.21 0.00 -1.29 1.43 0.67 -4.45 118.68 117.77 2cht s LEU 109 Ca 0.06 -1.45 0.00 0.00 -1.03 0.00 0.00 54.13 51.71 2cht s LEU 109 Cb -0.12 -0.39 0.00 0.00 0.03 0.00 0.00 46.19 45.71 2cht s LEU 109 CO 0.00 -0.67 0.00 -0.62 0.23 0.00 0.00 176.35 175.29 2cht n GLU 110 N -0.79 0.00 0.00 1.70 -0.58 -1.26 0.33 120.64 120.04 2cht n GLU 110 Ca -0.04 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.80 2cht n GLU 110 Cb 0.66 0.00 0.50 0.00 -0.57 0.00 0.00 31.44 32.04 2cht n GLU 110 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2cht n LYS 111 N 14.00 0.14 0.00 3.49 5.02 -1.26 -2.59 118.16 136.95 2cht n LYS 111 Ca 0.00 0.11 0.10 0.00 -2.02 0.00 0.00 58.31 56.50 2cht n LYS 111 Cb 0.00 -1.50 0.48 0.00 -0.02 0.00 0.00 35.03 33.99 2cht n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cht n ALA 112 N -1.41 2.01 0.21 7.82 0.00 0.15 -3.18 120.51 126.12 2cht n ALA 112 Ca 0.07 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2cht n ALA 112 Cb 0.22 -1.35 0.60 0.00 0.00 0.00 0.00 19.45 18.92 2cht n ALA 112 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2cht h VAL 113 N 0.00 0.00 0.00 0.00 -1.51 -1.21 0.25 116.25 113.78 2cht h VAL 113 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2cht h VAL 113 Cb 0.35 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.00 2cht h VAL 113 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 177.57 176.89 2cht n VAL 114 N -2.36 1.34 0.62 7.19 3.14 -1.19 -4.99 118.33 122.07 2cht n VAL 114 Ca -0.01 0.38 0.07 0.00 -2.96 0.00 0.00 64.34 61.82 2cht n VAL 114 Cb 0.20 -1.26 0.06 0.00 -1.06 0.00 0.00 33.84 31.79 2cht n VAL 114 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55