#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 3.28 0.08 1.12 -4.36 -1.26 -0.67 121.20 119.38 2cht s ILE 3 Ca 0.00 -1.00 -0.04 0.00 -0.26 0.00 0.00 60.65 59.36 2cht s ILE 3 Cb 0.00 -2.42 -0.03 0.00 1.25 0.00 0.00 42.46 41.26 2cht s ILE 3 CO 0.00 0.34 0.06 -0.13 0.24 0.00 0.00 174.94 175.45 2cht s ARG 4 N -1.52 0.75 0.06 0.37 0.52 0.88 -4.85 118.95 115.16 2cht s ARG 4 Ca 0.17 -1.17 -0.05 0.00 -0.52 0.00 0.00 55.73 54.16 2cht s ARG 4 Cb -0.11 0.26 -0.05 0.00 0.52 0.00 0.00 34.95 35.58 2cht s ARG 4 CO 0.07 -0.19 0.28 0.20 0.02 0.00 0.00 175.30 175.69 2cht s GLY 5 N -2.92 2.23 -0.30 -3.53 0.00 -1.26 -0.60 107.32 100.94 2cht s GLY 5 Ca 0.09 -0.63 0.03 0.00 0.00 0.00 0.00 44.72 44.21 2cht s GLY 5 CO -0.08 -0.51 -0.03 -0.42 0.00 0.00 0.00 173.10 172.06 2cht s ILE 6 N -1.45 2.24 0.34 0.90 1.01 0.96 -4.88 121.20 120.33 2cht s ILE 6 Ca 0.33 -1.98 -0.28 0.00 0.00 0.00 0.00 60.65 58.71 2cht s ILE 6 Cb -0.13 -2.49 -0.10 0.00 0.01 0.00 0.00 42.46 39.75 2cht s ILE 6 CO 0.21 -0.31 1.30 -0.13 0.00 0.00 0.00 174.94 176.01 2cht s ARG 7 N 1.01 4.32 0.06 2.79 1.81 -1.26 -1.60 118.95 126.07 2cht s ARG 7 Ca 0.01 2.19 -0.09 0.00 -1.72 0.00 0.00 55.73 56.12 2cht s ARG 7 Cb -0.20 -3.03 0.00 0.00 -0.45 0.00 0.00 34.95 31.27 2cht s ARG 7 CO -0.06 -0.21 0.19 0.20 -0.68 0.00 0.00 175.30 174.73 2cht s GLY 8 N -0.54 0.06 -0.15 -3.53 0.00 -0.90 -2.00 107.32 100.28 2cht s GLY 8 Ca 0.50 -0.44 -0.21 0.00 0.00 0.00 0.00 44.72 44.57 2cht s GLY 8 CO 0.52 -0.62 0.55 0.00 0.00 0.00 0.00 173.10 173.55 2cht s ALA 9 N -3.15 -1.38 0.26 3.20 0.00 -0.77 -0.50 121.76 119.42 2cht s ALA 9 Ca -0.01 1.34 -0.06 0.00 0.00 0.00 0.00 51.96 53.24 2cht s ALA 9 Cb 0.02 -0.58 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 2cht s ALA 9 CO -0.07 -0.29 0.38 -0.08 0.00 0.00 0.00 175.76 175.70 2cht s THR 10 N -0.26 0.00 -0.05 0.00 -1.32 -0.36 -1.22 115.64 112.44 2cht s THR 10 Ca -0.04 -1.64 0.02 0.00 -1.21 0.00 0.00 61.69 58.82 2cht s THR 10 Cb -0.03 -2.41 0.01 0.00 -1.51 0.00 0.00 72.50 68.56 2cht s THR 10 CO 0.03 0.00 -0.10 0.42 -2.21 0.00 0.00 174.62 172.76 2cht s THR 11 N -3.79 0.95 0.54 5.08 -4.23 -1.26 -1.12 115.64 111.82 2cht s THR 11 Ca 0.30 -0.41 -0.05 0.00 -1.18 0.00 0.00 61.69 60.35 2cht s THR 11 Cb 0.02 -0.87 -0.01 0.00 1.34 0.00 0.00 72.50 72.98 2cht s THR 11 CO 0.13 0.30 0.85 0.68 -0.54 0.00 0.00 174.62 176.04 2cht s VAL 12 N 0.47 4.16 -1.32 2.29 -7.23 -0.12 -4.70 120.40 113.96 2cht s VAL 12 Ca -0.09 0.06 0.17 0.00 -1.81 0.00 0.00 61.98 60.31 2cht s VAL 12 Cb -0.13 -3.61 -0.07 0.00 0.56 0.00 0.00 36.38 33.12 2cht s VAL 12 CO 0.02 -0.61 0.84 -0.62 -0.31 0.00 0.00 175.10 174.42 2cht n GLU 13 N -2.43 1.50 -3.58 4.82 4.71 -1.26 -4.79 120.64 119.60 2cht n GLU 13 Ca 0.03 -0.54 -0.17 0.00 -0.01 0.00 0.00 57.16 56.47 2cht n GLU 13 Cb 0.57 -1.32 -0.07 0.00 -1.01 0.00 0.00 31.44 29.61 2cht n GLU 13 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 2cht s ARG 14 N -2.26 0.95 -0.97 3.49 3.52 -1.26 -5.10 118.95 117.32 2cht s ARG 14 Ca 0.12 0.23 -0.15 0.00 -0.13 0.00 0.00 55.73 55.80 2cht s ARG 14 Cb 0.14 0.45 0.19 0.00 -1.56 0.00 0.00 34.95 34.16 2cht s ARG 14 CO 0.54 -0.28 1.06 0.34 -0.81 0.00 0.00 175.30 176.15 2cht s ASP 15 N -1.07 6.84 0.03 -2.12 2.15 -1.26 -4.61 116.67 116.63 2cht s ASP 15 Ca -0.10 -2.61 -0.08 0.00 0.43 0.00 0.00 52.55 50.18 2cht s ASP 15 Cb -0.01 -2.31 -0.00 0.00 -0.30 0.00 0.00 42.92 40.29 2cht s ASP 15 CO 0.08 -0.75 0.15 0.28 -0.17 0.00 0.00 175.17 174.76 2cht s THR 16 N 1.17 0.11 0.06 1.71 -1.32 -1.26 -4.67 115.64 111.44 2cht s THR 16 Ca 0.29 -0.91 -0.32 0.00 -1.21 0.00 0.00 61.69 59.55 2cht s THR 16 Cb -0.07 -0.79 -0.16 0.00 -1.51 0.00 0.00 72.50 69.97 2cht s THR 16 CO -0.08 -0.50 1.48 -0.08 -2.21 0.00 0.00 174.62 173.24 2cht h GLU 17 N 3.72 -0.95 -1.01 7.08 4.81 -1.92 -1.08 114.58 125.22 2cht h GLU 17 Ca -0.32 0.06 0.26 0.00 -0.13 0.00 0.00 59.36 59.23 2cht h GLU 17 Cb 1.19 0.22 -0.12 0.00 0.63 0.00 0.00 28.75 30.66 2cht h GLU 17 CO 0.47 -0.63 0.60 1.49 -0.73 0.00 0.00 179.01 180.21 2cht h GLU 18 N -0.99 0.53 0.27 1.92 4.81 -1.98 0.16 114.58 119.30 2cht h GLU 18 Ca -0.08 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 2cht h GLU 18 Cb 0.81 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.08 2cht h GLU 18 CO 0.04 0.35 -0.13 1.49 -0.73 0.00 0.00 179.01 180.02 2cht h GLU 19 N 0.54 -0.36 -0.17 1.92 4.57 -1.87 -1.65 114.58 117.58 2cht h GLU 19 Ca 0.65 0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.89 2cht h GLU 19 Cb 1.30 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.94 2cht h GLU 19 CO -0.47 -0.01 -0.04 0.82 -1.18 0.00 0.00 179.01 178.13 2cht h ILE 20 N -0.81 0.83 -0.50 2.32 2.04 -0.26 -1.39 117.51 119.74 2cht h ILE 20 Ca -0.04 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.73 2cht h ILE 20 Cb 0.51 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 2cht h ILE 20 CO 0.06 0.00 -0.07 -0.07 0.00 0.00 0.00 178.15 178.07 2cht h LEU 21 N -0.00 0.88 -0.18 1.44 3.38 -1.10 0.66 115.31 120.39 2cht h LEU 21 Ca 0.08 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 2cht h LEU 21 Cb 0.13 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2cht h LEU 21 CO -0.17 0.99 -0.01 -0.61 0.09 0.00 0.00 178.44 178.72 2cht h GLN 22 N 0.81 0.32 -0.16 1.13 4.15 -0.88 0.11 115.11 120.59 2cht h GLN 22 Ca 0.14 -0.11 -0.12 0.00 0.77 0.00 0.00 58.65 59.33 2cht h GLN 22 Cb 0.59 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 2cht h GLN 22 CO 0.04 0.55 -0.42 0.87 -1.93 0.00 0.00 178.83 177.94 2cht h LYS 23 N 0.06 0.36 -0.02 1.69 1.79 -1.21 -0.65 116.57 118.60 2cht h LYS 23 Ca 0.05 -0.18 -0.00 0.00 -2.18 0.00 0.00 60.65 58.33 2cht h LYS 23 Cb 0.41 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2cht h LYS 23 CO 0.01 0.72 -0.01 1.15 -1.08 0.00 0.00 179.45 180.24 2cht h THR 24 N 0.30 1.34 -0.70 -0.16 2.02 -0.64 -2.35 112.91 112.72 2cht h THR 24 Ca 0.03 -1.03 0.08 0.00 0.77 0.00 0.00 66.41 66.25 2cht h THR 24 Cb 0.86 2.01 -0.06 0.00 -1.74 0.00 0.00 68.15 69.22 2cht h THR 24 CO 0.07 0.27 0.37 0.50 0.37 0.00 0.00 175.52 177.11 2cht h LYS 25 N -0.39 0.64 -0.60 6.66 3.64 -0.71 -0.57 116.57 125.24 2cht h LYS 25 Ca 0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2cht h LYS 25 Cb 0.45 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 2cht h LYS 25 CO 0.00 0.42 0.32 1.96 -2.27 0.00 0.00 179.45 179.89 2cht h GLN 26 N 0.66 0.83 -0.04 1.90 4.20 -1.15 -0.16 115.11 121.34 2cht h GLN 26 Ca 0.33 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 2cht h GLN 26 Cb 0.29 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 2cht h GLN 26 CO -0.23 0.61 0.01 1.25 -0.67 0.00 0.00 178.83 179.80 2cht h LEU 27 N 0.84 0.06 0.29 1.46 5.85 -0.58 -2.87 115.31 120.35 2cht h LEU 27 Ca 0.21 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2cht h LEU 27 Cb 0.03 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2cht h LEU 27 CO -0.03 0.28 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.12 2cht h LEU 28 N -0.16 -0.35 -1.12 2.25 3.38 -0.84 -0.73 115.31 117.74 2cht h LEU 28 Ca 0.01 0.01 0.35 0.00 0.09 0.00 0.00 57.88 58.34 2cht h LEU 28 Cb 0.24 0.09 -0.14 0.00 0.09 0.00 0.00 40.66 40.94 2cht h LEU 28 CO 0.00 -0.25 0.64 -0.33 0.09 0.00 0.00 178.44 178.59 2cht h GLU 29 N -0.40 0.25 -0.07 1.13 5.08 -1.10 0.18 114.58 119.65 2cht h GLU 29 Ca -0.04 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.13 2cht h GLU 29 Cb 0.31 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2cht h GLU 29 CO 0.06 0.17 -0.72 -0.22 -1.00 0.00 0.00 179.01 177.30 2cht h LYS 30 N 0.26 0.37 -0.18 2.33 1.63 -1.10 -0.33 116.57 119.56 2cht h LYS 30 Ca 0.75 -0.31 -0.15 0.00 -0.85 0.00 0.00 60.65 60.08 2cht h LYS 30 Cb 1.88 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.57 2cht h LYS 30 CO -0.55 0.95 -0.49 0.82 -3.45 0.00 0.00 179.45 176.73 2cht h ILE 31 N 0.25 1.32 -0.71 2.00 2.04 0.73 0.11 117.51 123.26 2cht h ILE 31 Ca -0.03 -1.73 0.00 0.00 1.00 0.00 0.00 64.86 64.11 2cht h ILE 31 Cb 1.30 1.93 -0.03 0.00 -0.74 0.00 0.00 36.82 39.27 2cht h ILE 31 CO 0.12 0.54 0.46 0.40 0.00 0.00 0.00 178.15 179.67 2cht h ILE 32 N 0.33 1.19 0.67 -0.67 2.04 -1.09 -1.62 117.51 118.36 2cht h ILE 32 Ca -0.01 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 2cht h ILE 32 Cb 1.11 0.16 0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2cht h ILE 32 CO 0.11 0.18 -0.32 -0.08 0.00 0.00 0.00 178.15 178.03 2cht h GLU 33 N 0.96 -0.87 -0.45 2.37 4.81 -0.80 0.34 114.58 120.94 2cht h GLU 33 Ca 0.26 0.06 0.13 0.00 -0.13 0.00 0.00 59.36 59.68 2cht h GLU 33 Cb -0.09 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2cht h GLU 33 CO -0.05 -0.58 0.34 0.93 -0.73 0.00 0.00 179.01 178.91 2cht h GLU 34 N -1.13 0.00 -0.01 1.92 4.39 -0.74 -2.58 114.58 116.42 2cht h GLU 34 Ca -0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.61 2cht h GLU 34 Cb 0.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2cht h GLU 34 CO 0.15 0.00 -0.02 0.09 -1.16 0.00 0.00 179.01 178.07 2cht n ASN 35 N -4.30 1.64 -3.34 1.42 3.02 -0.61 -4.82 115.26 108.27 2cht n ASN 35 Ca 0.08 -1.32 -0.23 0.00 -0.03 0.00 0.00 54.58 53.08 2cht n ASN 35 Cb 0.54 0.06 0.07 0.00 -0.61 0.00 0.00 39.78 39.83 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 0.39 -2.58 -2.17 3.10 8.25 0.11 -4.94 115.22 117.38 2cht n HIS 36 Ca 0.05 0.88 -0.42 0.00 -0.26 0.00 0.00 57.72 57.96 2cht n HIS 36 Cb 0.21 -4.76 -0.03 0.00 1.12 0.00 0.00 29.99 26.53 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 -3.27 3.28 -0.17 1.59 2.01 -0.69 -5.03 115.64 113.35 2cht s THR 37 Ca 0.51 0.93 -0.08 0.00 0.31 0.00 0.00 61.69 63.36 2cht s THR 37 Cb -0.22 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 2cht s THR 37 CO 0.63 0.08 0.10 -0.54 -0.69 0.00 0.00 174.62 174.20 2cht s LYS 38 N 0.95 3.92 0.24 4.92 -0.14 -1.26 -4.93 119.74 123.44 2cht s LYS 38 Ca 0.64 -0.26 -0.06 0.00 -1.36 0.00 0.00 55.97 54.93 2cht s LYS 38 Cb -0.37 -3.27 0.41 0.00 -1.68 0.00 0.00 37.83 32.92 2cht s LYS 38 CO 0.31 0.40 1.73 -1.00 -0.76 0.00 0.00 175.35 176.02 2cht h PRO 39 N 6.30 0.40 0.00 -1.68 0.13 -1.96 0.91 132.00 136.11 2cht h PRO 39 Ca -0.42 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2cht h PRO 39 Cb 1.17 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2cht h PRO 39 CO 0.70 0.26 0.00 -0.85 -0.23 0.00 0.00 178.00 177.88 2cht n GLU 40 N -5.02 0.01 0.00 0.86 0.00 -1.26 -0.48 120.64 114.75 2cht n GLU 40 Ca 0.13 0.29 0.11 0.00 0.00 0.00 0.00 57.16 57.68 2cht n GLU 40 Cb 0.38 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.36 2cht n GLU 40 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2cht n ASP 41 N -1.29 1.44 -4.53 -1.84 8.00 0.32 -4.89 116.55 113.76 2cht n ASP 41 Ca 0.00 -1.16 -0.40 0.00 0.71 0.00 0.00 54.79 53.94 2cht n ASP 41 Cb 0.00 0.58 -0.11 0.00 -0.02 0.00 0.00 41.12 41.57 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 -2.69 5.29 0.06 2.53 1.01 0.37 -0.07 120.40 126.90 2cht s VAL 42 Ca 0.15 -0.22 -0.24 0.00 0.00 0.00 0.00 61.98 61.67 2cht s VAL 42 Cb 0.18 -3.72 -0.17 0.00 0.00 0.00 0.00 36.38 32.67 2cht s VAL 42 CO 0.67 -0.01 1.60 0.58 0.00 0.00 0.00 175.10 177.94 2cht h VAL 43 N 5.49 1.07 -1.59 2.92 2.07 -0.41 -3.45 116.25 122.35 2cht h VAL 43 Ca -0.31 -0.30 0.30 0.00 0.82 0.00 0.00 66.70 67.20 2cht h VAL 43 Cb 1.16 1.27 -0.12 0.00 -1.52 0.00 0.00 31.29 32.08 2cht h VAL 43 CO 0.63 0.08 0.77 0.00 0.02 0.00 0.00 177.57 179.07 2cht s GLN 44 N -5.66 0.51 -0.07 1.57 -2.07 -1.22 -4.51 119.66 108.21 2cht s GLN 44 Ca -0.14 -0.28 -0.09 0.00 -1.82 0.00 0.00 55.36 53.04 2cht s GLN 44 Cb 0.05 0.18 0.02 0.00 -1.09 0.00 0.00 33.01 32.17 2cht s GLN 44 CO 0.66 -0.23 0.23 1.41 -1.32 0.00 0.00 175.29 176.04 2cht s MET 45 N -2.56 0.33 0.06 9.60 1.75 0.54 -0.67 119.30 128.35 2cht s MET 45 Ca 0.13 0.20 0.09 0.00 -1.25 0.00 0.00 55.69 54.87 2cht s MET 45 Cb 0.03 0.16 -0.03 0.00 2.84 0.00 0.00 34.83 37.83 2cht s MET 45 CO -0.03 -0.05 -0.24 -0.51 -0.65 0.00 0.00 175.02 173.53 2cht s LEU 46 N -0.17 2.32 -0.14 4.11 1.43 -0.27 -1.12 118.68 124.85 2cht s LEU 46 Ca -0.03 -0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 52.48 2cht s LEU 46 Cb -0.03 -1.34 0.04 0.00 0.03 0.00 0.00 46.19 44.89 2cht s LEU 46 CO 0.01 0.24 -0.00 -0.76 0.23 0.00 0.00 176.35 176.07 2cht s LEU 47 N -1.47 1.05 -0.11 1.79 1.43 -0.08 -1.00 118.68 120.29 2cht s LEU 47 Ca 0.13 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 52.72 2cht s LEU 47 Cb -0.10 -0.62 -0.03 0.00 0.03 0.00 0.00 46.19 45.47 2cht s LEU 47 CO 0.04 -0.23 -0.00 -0.94 0.23 0.00 0.00 176.35 175.45 2cht s SER 48 N 1.84 5.17 0.18 2.29 1.04 0.16 -2.40 113.70 121.98 2cht s SER 48 Ca 0.02 0.08 0.09 0.00 0.48 0.00 0.00 55.95 56.62 2cht s SER 48 Cb -0.15 -1.56 -0.04 0.00 0.10 0.00 0.00 66.02 64.37 2cht s SER 48 CO -0.07 0.32 -0.08 0.00 0.98 0.00 0.00 173.24 174.39 2cht s ALA 49 N -0.53 3.00 0.58 5.32 0.00 -1.13 -1.04 121.76 127.97 2cht s ALA 49 Ca 0.09 -1.47 -0.17 0.00 0.00 0.00 0.00 51.96 50.41 2cht s ALA 49 Cb -0.12 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 2cht s ALA 49 CO 0.02 0.46 1.08 0.95 0.00 0.00 0.00 175.76 178.27 2cht s THR 50 N -1.75 3.56 -1.06 0.00 -4.23 -0.49 -1.81 115.64 109.86 2cht s THR 50 Ca 0.26 0.81 0.01 0.00 -1.18 0.00 0.00 61.69 61.58 2cht s THR 50 Cb -0.09 -3.31 0.01 0.00 1.34 0.00 0.00 72.50 70.46 2cht s THR 50 CO 0.16 -0.37 1.01 -0.81 -0.54 0.00 0.00 174.62 174.07 2cht n PRO 51 N -1.84 0.00 -0.01 3.99 -0.04 -1.26 -1.31 135.00 134.53 2cht n PRO 51 Ca 0.10 0.45 0.14 0.00 -0.04 0.00 0.00 63.50 64.15 2cht n PRO 51 Cb 0.52 -1.50 0.71 0.00 -0.04 0.00 0.00 33.50 33.19 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 -1.47 0.53 -4.22 3.54 5.68 -1.26 -4.75 116.55 114.60 2cht n ASP 52 Ca 0.00 -1.28 -0.34 0.00 -0.50 0.00 0.00 54.79 52.68 2cht n ASP 52 Cb 0.01 -0.01 -0.15 0.00 -1.14 0.00 0.00 41.12 39.83 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 -1.87 2.48 0.00 -2.12 1.43 -0.43 -4.90 118.68 113.27 2cht s LEU 53 Ca 0.40 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 2cht s LEU 53 Cb 0.19 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.82 2cht s LEU 53 CO 0.32 0.01 0.16 1.41 0.23 0.00 0.00 176.35 178.48 2cht n HIS 54 N 4.58 0.00 0.07 0.29 8.25 -1.26 -4.87 115.22 122.28 2cht n HIS 54 Ca -0.20 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.05 2cht n HIS 54 Cb 0.51 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.48 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 -0.06 -2.65 -1.41 0.00 -1.91 -3.47 119.26 109.76 2cht h ALA 55 Ca 0.00 -0.72 -0.06 0.00 0.00 0.00 0.00 54.91 54.13 2cht h ALA 55 Cb 0.07 0.11 -0.15 0.00 0.00 0.00 0.00 17.79 17.82 2cht h ALA 55 CO 0.00 0.49 -0.03 0.54 0.00 0.00 0.00 179.25 180.26 2cht s VAL 56 N -2.71 0.05 -0.02 0.00 0.11 -1.26 -4.72 120.40 111.85 2cht s VAL 56 Ca -0.12 -0.40 -0.30 0.00 -2.93 0.00 0.00 61.98 58.23 2cht s VAL 56 Cb 0.03 -1.04 -0.05 0.00 -1.53 0.00 0.00 36.38 33.78 2cht s VAL 56 CO 0.87 -0.22 1.46 -0.36 -3.33 0.00 0.00 175.10 173.52 2cht s PHE 57 N -3.08 2.64 0.40 1.54 0.08 -1.26 -4.91 117.98 113.40 2cht s PHE 57 Ca -0.02 0.67 0.18 0.00 0.12 0.00 0.00 56.93 57.88 2cht s PHE 57 Cb 0.00 -3.73 1.09 0.00 -0.57 0.00 0.00 43.02 39.81 2cht s PHE 57 CO -0.07 -2.78 1.79 -1.35 -0.10 0.00 0.00 175.22 172.71 2cht h PRO 58 N 8.25 0.40 -1.00 0.24 0.11 -1.93 -1.14 132.00 136.93 2cht h PRO 58 Ca -0.37 -0.02 0.38 0.00 0.11 0.00 0.00 66.00 66.10 2cht h PRO 58 Cb 1.17 -0.09 -0.17 0.00 0.11 0.00 0.00 31.00 32.02 2cht h PRO 58 CO 0.92 0.26 0.49 0.00 -0.21 0.00 0.00 178.00 179.47 2cht h ALA 59 N 1.61 2.02 0.00 -0.75 0.00 -1.92 -1.38 119.26 118.85 2cht h ALA 59 Ca 0.56 0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.73 2cht h ALA 59 Cb 1.41 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 2cht h ALA 59 CO -0.26 -0.84 -0.02 -0.22 0.00 0.00 0.00 179.25 177.91 2cht h LYS 60 N 0.07 0.00 0.00 0.00 3.64 -1.60 -1.05 116.57 117.63 2cht h LYS 60 Ca 0.80 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 60.18 2cht h LYS 60 Cb 2.03 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.85 2cht h LYS 60 CO -0.75 0.02 -0.02 0.00 -2.27 0.00 0.00 179.45 176.43 2cht h ALA 61 N 1.98 1.78 -0.68 5.00 0.00 -1.46 -2.80 119.26 123.08 2cht h ALA 61 Ca -0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2cht h ALA 61 Cb 0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2cht h ALA 61 CO 0.00 0.02 0.45 0.28 0.00 0.00 0.00 179.25 180.00 2cht h VAL 62 N 0.00 1.02 0.00 0.00 2.07 -1.36 -2.14 116.25 115.84 2cht h VAL 62 Ca -0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2cht h VAL 62 Cb 0.03 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 2cht h VAL 62 CO 0.00 0.13 0.00 0.54 0.02 0.00 0.00 177.57 178.26 2cht n ARG 63 N -4.48 0.58 0.00 1.57 1.74 -1.06 -1.70 116.66 113.32 2cht n ARG 63 Ca 0.10 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.28 2cht n ARG 63 Cb 0.21 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.19 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 -1.00 0.03 -3.12 5.56 1.02 -0.80 -4.73 120.64 117.59 2cht n GLU 64 Ca 0.14 -0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.84 2cht n GLU 64 Cb 0.06 -1.51 -0.06 0.00 -0.02 0.00 0.00 31.44 29.91 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 -3.09 4.70 0.26 -4.62 1.43 -0.69 -5.02 118.68 111.65 2cht s LEU 65 Ca 0.09 -0.63 -0.31 0.00 -1.03 0.00 0.00 54.13 52.25 2cht s LEU 65 Cb 0.16 -2.58 -0.13 0.00 0.03 0.00 0.00 46.19 43.67 2cht s LEU 65 CO 0.80 -0.86 1.48 -1.20 0.23 0.00 0.00 176.35 176.80 2cht n SER 66 N 6.29 3.16 0.00 2.29 7.64 -1.26 -2.09 113.62 129.65 2cht n SER 66 Ca -0.04 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.98 2cht n SER 66 Cb 0.47 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 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 2.16 0.48 1.09 0.23 0.00 -1.26 -4.95 105.19 102.94 2cht n GLY 67 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 0.90 -0.09 1.61 7.02 -0.89 -4.60 117.44 119.39 2cht n TRP 68 Ca 0.00 -0.56 0.01 0.00 -1.02 0.00 0.00 57.50 55.93 2cht n TRP 68 Cb 0.00 -0.10 0.32 0.00 -2.42 0.00 0.00 31.31 29.11 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 3.14 0.73 -0.68 -0.99 4.15 -1.86 -2.60 115.11 117.00 2cht h GLN 69 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.35 2cht h GLN 69 Cb 1.04 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.58 2cht h GLN 69 CO 0.08 0.54 0.00 0.66 -1.93 0.00 0.00 178.83 178.17 2cht n TYR 70 N -4.41 1.06 -2.79 3.99 4.01 -1.26 -4.87 117.16 112.90 2cht n TYR 70 Ca 0.05 -0.49 -0.42 0.00 -0.16 0.00 0.00 57.90 56.88 2cht n TYR 70 Cb 0.09 -0.07 -0.03 0.00 -0.31 0.00 0.00 39.34 39.02 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 -1.30 4.87 -0.35 -0.72 1.01 -0.98 -4.97 120.40 117.96 2cht s VAL 71 Ca 0.47 1.87 -0.27 0.00 0.00 0.00 0.00 61.98 64.05 2cht s VAL 71 Cb 0.26 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.42 2cht s VAL 71 CO 0.29 0.09 1.00 -2.16 0.00 0.00 0.00 175.10 174.32 2cht s PRO 72 N 1.55 3.95 0.07 2.72 0.04 -1.26 -4.96 135.00 137.11 2cht s PRO 72 Ca 0.46 0.82 0.09 0.00 0.04 0.00 0.00 61.00 62.40 2cht s PRO 72 Cb -0.19 -3.77 -0.03 0.00 0.04 0.00 0.00 34.50 30.55 2cht s PRO 72 CO 0.20 -0.93 -0.23 0.14 0.04 0.00 0.00 177.00 176.22 2cht s VAL 73 N 3.58 2.44 -0.02 -0.36 -7.23 -1.26 -0.34 120.40 117.22 2cht s VAL 73 Ca 0.42 -1.43 -0.26 0.00 -1.81 0.00 0.00 61.98 58.90 2cht s VAL 73 Cb -0.12 -2.02 0.06 0.00 0.56 0.00 0.00 36.38 34.85 2cht s VAL 73 CO 0.17 0.27 0.57 -0.89 -0.31 0.00 0.00 175.10 174.91 2cht s THR 74 N -0.94 0.02 0.43 5.32 2.01 -0.27 -4.96 115.64 117.25 2cht s THR 74 Ca 0.14 -0.15 0.08 0.00 0.31 0.00 0.00 61.69 62.06 2cht s THR 74 Cb -0.10 -0.90 -0.01 0.00 0.01 0.00 0.00 72.50 71.49 2cht s THR 74 CO 0.05 -0.08 0.39 0.00 -0.69 0.00 0.00 174.62 174.28 2cht s MET 76 N -4.15 1.48 -0.12 0.00 0.23 -1.01 -4.88 119.30 110.85 2cht s MET 76 Ca 0.47 -0.85 -0.04 0.00 -1.03 0.00 0.00 55.69 54.24 2cht s MET 76 Cb -0.03 0.48 -0.04 0.00 -1.53 0.00 0.00 34.83 33.71 2cht s MET 76 CO 0.28 -0.68 0.05 -1.14 -2.03 0.00 0.00 175.02 171.49 2cht s GLN 77 N -3.22 3.36 0.47 3.16 0.74 -1.26 -2.82 119.66 120.09 2cht s GLN 77 Ca 0.13 -0.33 -0.23 0.00 0.05 0.00 0.00 55.36 54.98 2cht s GLN 77 Cb -0.03 -2.99 -0.07 0.00 1.10 0.00 0.00 33.01 31.02 2cht s GLN 77 CO 0.05 0.59 1.21 -2.00 -0.55 0.00 0.00 175.29 174.60 2cht s GLU 78 N -0.55 3.65 0.38 1.67 2.56 -0.75 -4.91 118.70 120.74 2cht s GLU 78 Ca 0.10 1.90 -0.25 0.00 0.00 0.00 0.00 54.97 56.72 2cht s GLU 78 Cb -0.12 -2.40 -0.09 0.00 2.00 0.00 0.00 34.13 33.52 2cht s GLU 78 CO 0.02 -0.68 1.07 0.00 -0.56 0.00 0.00 175.26 175.11 2cht s MET 79 N -2.70 4.23 -0.50 4.30 0.23 -1.26 -4.39 119.30 119.20 2cht s MET 79 Ca 0.65 1.59 -0.29 0.00 -1.03 0.00 0.00 55.69 56.61 2cht s MET 79 Cb -0.32 -2.67 0.03 0.00 -1.53 0.00 0.00 34.83 30.35 2cht s MET 79 CO 0.38 -0.10 1.14 0.34 -2.03 0.00 0.00 175.02 174.75 2cht s ASP 80 N -1.40 6.57 -0.11 -1.18 2.15 -1.26 -4.94 116.67 116.51 2cht s ASP 80 Ca 0.55 0.34 -0.02 0.00 0.43 0.00 0.00 52.55 53.85 2cht s ASP 80 Cb -0.25 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 39.80 2cht s ASP 80 CO 0.31 -1.30 -0.01 -0.69 -0.17 0.00 0.00 175.17 173.31 2cht s VAL 81 N 4.53 4.24 0.03 1.11 1.01 -1.26 -5.09 120.40 124.97 2cht s VAL 81 Ca 0.46 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 2cht s VAL 81 Cb -0.07 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 2cht s VAL 81 CO 0.30 0.57 1.13 -0.89 0.00 0.00 0.00 175.10 176.21 2cht s THR 82 N -0.54 4.34 -0.09 3.92 2.01 -1.26 -2.01 115.64 122.00 2cht s THR 82 Ca 0.09 1.67 0.00 0.00 0.31 0.00 0.00 61.69 63.77 2cht s THR 82 Cb -0.12 -4.07 0.00 0.00 0.01 0.00 0.00 72.50 68.32 2cht s THR 82 CO 0.02 0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.68 2cht n GLY 83 N 3.13 0.35 3.91 4.40 0.00 -1.26 -5.04 105.19 110.67 2cht n GLY 83 Ca 0.08 -0.88 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.96 1.59 -0.08 -0.02 0.00 -0.85 -5.02 107.32 99.98 2cht s GLY 84 Ca 0.00 -0.56 -0.30 0.00 0.00 0.00 0.00 44.72 43.87 2cht s GLY 84 CO 0.00 -0.42 1.36 -2.27 0.00 0.00 0.00 173.10 171.77 2cht s LEU 85 N -4.30 4.26 0.79 0.66 2.96 -1.26 -4.98 118.68 116.80 2cht s LEU 85 Ca 0.46 1.92 -0.11 0.00 -0.22 0.00 0.00 54.13 56.18 2cht s LEU 85 Cb -0.10 -3.55 0.06 0.00 0.50 0.00 0.00 46.19 43.11 2cht s LEU 85 CO 0.38 -0.75 1.09 -0.54 -1.32 0.00 0.00 176.35 175.20 2cht s LYS 86 N 3.11 2.16 -1.61 1.98 -0.14 -1.26 -4.13 119.74 119.84 2cht s LYS 86 Ca 0.61 0.98 -0.19 0.00 -1.36 0.00 0.00 55.97 56.00 2cht s LYS 86 Cb -0.27 -1.90 0.18 0.00 -1.68 0.00 0.00 37.83 34.16 2cht s LYS 86 CO 0.22 -1.66 0.59 1.63 -0.76 0.00 0.00 175.35 175.37 2cht n LYS 87 N -3.51 -1.86 -4.35 1.68 5.02 -1.26 -4.84 118.16 109.04 2cht n LYS 87 Ca 0.08 0.22 -0.34 0.00 -2.02 0.00 0.00 58.31 56.25 2cht n LYS 87 Cb 0.54 -4.85 -0.09 0.00 -0.02 0.00 0.00 35.03 30.60 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 -0.93 2.38 0.11 0.00 1.01 -0.28 -1.40 121.20 122.10 2cht s ILE 89 Ca 0.15 -0.86 0.11 0.00 0.00 0.00 0.00 60.65 60.05 2cht s ILE 89 Cb -0.11 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 2cht s ILE 89 CO 0.04 0.52 -0.27 -0.13 0.00 0.00 0.00 174.94 175.11 2cht s ARG 90 N 0.98 1.48 0.17 2.79 0.52 -0.20 -1.22 118.95 123.47 2cht s ARG 90 Ca -0.03 -1.30 0.07 0.00 -0.52 0.00 0.00 55.73 53.95 2cht s ARG 90 Cb -0.15 -1.92 -0.04 0.00 0.52 0.00 0.00 34.95 33.36 2cht s ARG 90 CO -0.04 0.46 -0.14 0.14 0.02 0.00 0.00 175.30 175.74 2cht s VAL 91 N -1.02 1.55 -0.18 3.52 -7.23 0.34 -0.67 120.40 116.72 2cht s VAL 91 Ca 0.14 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.27 2cht s VAL 91 Cb -0.10 -1.84 0.06 0.00 0.56 0.00 0.00 36.38 35.06 2cht s VAL 91 CO 0.05 -0.52 0.05 -0.32 -0.31 0.00 0.00 175.10 174.06 2cht s MET 92 N -3.25 0.43 -0.11 4.82 1.75 -0.17 -2.11 119.30 120.66 2cht s MET 92 Ca 0.17 -0.27 -0.02 0.00 -1.25 0.00 0.00 55.69 54.32 2cht s MET 92 Cb -0.02 -1.95 -0.03 0.00 2.84 0.00 0.00 34.83 35.67 2cht s MET 92 CO 0.05 -0.63 -0.05 1.41 -0.65 0.00 0.00 175.02 175.15 2cht s MET 93 N 1.97 3.19 -0.28 4.11 1.75 -0.63 -1.12 119.30 128.29 2cht s MET 93 Ca 0.00 -0.52 -0.04 0.00 -1.25 0.00 0.00 55.69 53.89 2cht s MET 93 Cb -0.16 -2.76 0.03 0.00 2.84 0.00 0.00 34.83 34.77 2cht s MET 93 CO -0.08 0.48 0.01 0.99 -0.65 0.00 0.00 175.02 175.77 2cht s THR 94 N -0.31 3.33 -0.04 10.11 2.01 0.15 -0.03 115.64 130.87 2cht s THR 94 Ca 0.05 -1.00 0.04 0.00 0.31 0.00 0.00 61.69 61.09 2cht s THR 94 Cb -0.12 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 2cht s THR 94 CO 0.02 0.07 -0.14 0.68 -0.69 0.00 0.00 174.62 174.57 2cht s VAL 95 N 1.37 3.13 -0.18 3.82 -7.23 0.23 0.34 120.40 121.89 2cht s VAL 95 Ca -0.00 -0.76 -0.29 0.00 -1.81 0.00 0.00 61.98 59.11 2cht s VAL 95 Cb -0.18 -2.25 -0.02 0.00 0.56 0.00 0.00 36.38 34.49 2cht s VAL 95 CO -0.01 0.55 1.44 -1.58 -0.31 0.00 0.00 175.10 175.18 2cht s GLN 96 N -0.88 4.06 0.23 4.82 0.74 0.90 -0.08 119.66 129.45 2cht s GLN 96 Ca 0.12 1.71 -0.14 0.00 0.05 0.00 0.00 55.36 57.10 2cht s GLN 96 Cb -0.11 -3.90 0.01 0.00 1.10 0.00 0.00 33.01 30.11 2cht s GLN 96 CO 0.02 -0.95 0.49 -0.08 -0.55 0.00 0.00 175.29 174.22 2cht s THR 97 N 4.16 0.01 -0.12 -0.34 -1.32 0.15 -4.94 115.64 113.25 2cht s THR 97 Ca 0.63 -1.21 0.06 0.00 -1.21 0.00 0.00 61.69 59.96 2cht s THR 97 Cb -0.24 -1.99 -0.08 0.00 -1.51 0.00 0.00 72.50 68.68 2cht s THR 97 CO 0.23 -0.06 0.18 -0.67 -2.21 0.00 0.00 174.62 172.08 2cht n ASP 98 N -0.36 2.18 -4.70 8.08 2.03 -1.26 -0.67 116.55 121.84 2cht n ASP 98 Ca -0.05 -0.28 -0.42 0.00 0.52 0.00 0.00 54.79 54.57 2cht n ASP 98 Cb 0.62 1.15 -0.03 0.00 -0.72 0.00 0.00 41.12 42.14 2cht n ASP 98 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2cht s VAL 99 N -2.04 3.05 0.57 5.18 1.01 -1.26 -4.92 120.40 121.99 2cht s VAL 99 Ca -0.00 0.63 -0.18 0.00 0.00 0.00 0.00 61.98 62.43 2cht s VAL 99 Cb 0.04 -3.40 -0.09 0.00 0.00 0.00 0.00 36.38 32.93 2cht s VAL 99 CO 0.24 0.02 0.51 -2.65 0.00 0.00 0.00 175.10 173.23 2cht n PRO 100 N 4.83 0.50 -0.16 2.72 -0.02 -1.26 -4.76 135.00 136.86 2cht n PRO 100 Ca 0.14 0.20 -0.07 0.00 -2.02 0.00 0.00 63.50 61.75 2cht n PRO 100 Cb 0.41 -1.69 -0.01 0.00 -0.02 0.00 0.00 33.50 32.18 2cht n PRO 100 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2cht h GLN 101 N 0.24 -0.22 0.00 -0.52 4.15 -1.99 0.14 115.11 116.91 2cht h GLN 101 Ca -0.45 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.98 2cht h GLN 101 Cb 1.40 0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.14 2cht h GLN 101 CO 0.47 -0.15 0.00 -0.40 -1.93 0.00 0.00 178.83 176.82 2cht n ASP 102 N -5.42 0.00 -0.06 -0.69 5.75 -1.26 -1.88 116.55 112.99 2cht n ASP 102 Ca 0.02 -0.43 0.01 0.00 -0.01 0.00 0.00 54.79 54.38 2cht n ASP 102 Cb 0.35 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.44 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 -0.86 -0.13 -1.99 0.11 6.02 0.48 -5.00 117.38 116.00 2cht n GLN 103 Ca 0.06 -0.76 -0.41 0.00 -0.01 0.00 0.00 57.00 55.87 2cht n GLN 103 Cb 0.03 -1.03 -0.02 0.00 1.02 0.00 0.00 30.24 30.23 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 -0.27 2.65 -0.70 5.09 -1.09 -0.79 -4.93 121.20 121.15 2cht s ILE 104 Ca 0.02 0.53 -0.17 0.00 -2.23 0.00 0.00 60.65 58.79 2cht s ILE 104 Cb 0.01 -3.34 0.14 0.00 -1.58 0.00 0.00 42.46 37.70 2cht s ILE 104 CO 0.02 0.08 0.76 -0.13 -1.23 0.00 0.00 174.94 174.44 2cht s ARG 105 N -0.09 3.27 0.30 2.79 0.52 -1.26 -5.04 118.95 119.44 2cht s ARG 105 Ca 0.61 -1.74 -0.28 0.00 -0.52 0.00 0.00 55.73 53.81 2cht s ARG 105 Cb -0.42 -4.42 -0.09 0.00 0.52 0.00 0.00 34.95 30.54 2cht s ARG 105 CO 0.41 -1.49 1.01 -1.01 0.02 0.00 0.00 175.30 174.24 2cht s HIS 106 N 1.90 3.68 -0.10 -0.53 3.76 -1.26 -4.77 115.29 117.96 2cht s HIS 106 Ca 0.15 1.78 0.02 0.00 -0.15 0.00 0.00 55.06 56.86 2cht s HIS 106 Cb -0.18 -3.08 0.01 0.00 1.11 0.00 0.00 32.58 30.44 2cht s HIS 106 CO -0.01 -0.08 -0.15 0.08 -0.85 0.00 0.00 174.74 173.73 2cht s VAL 107 N -1.35 1.48 -0.20 -0.90 1.01 -0.85 -5.00 120.40 114.59 2cht s VAL 107 Ca 0.47 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.82 2cht s VAL 107 Cb -0.25 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 34.81 2cht s VAL 107 CO 0.32 0.44 -0.17 -0.31 0.00 0.00 0.00 175.10 175.38 2cht s TYR 108 N 0.92 2.86 0.42 5.22 2.02 -1.26 -1.84 117.35 125.69 2cht s TYR 108 Ca -0.08 -1.80 0.07 0.00 -0.37 0.00 0.00 57.07 54.88 2cht s TYR 108 Cb -0.15 -1.89 -0.07 0.00 -0.40 0.00 0.00 41.96 39.45 2cht s TYR 108 CO -0.00 -0.82 0.05 -0.51 -1.57 0.00 0.00 175.55 172.70 2cht s LEU 109 N 1.26 2.88 0.00 -1.29 1.43 -0.36 -4.25 118.68 118.34 2cht s LEU 109 Ca 0.01 -1.33 0.00 0.00 -1.03 0.00 0.00 54.13 51.77 2cht s LEU 109 Cb -0.15 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 45.07 2cht s LEU 109 CO -0.10 -0.51 0.00 -0.62 0.23 0.00 0.00 176.35 175.34 2cht n GLU 110 N -1.06 0.00 0.00 1.70 -0.58 -1.26 -0.94 120.64 118.50 2cht n GLU 110 Ca -0.05 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 0.56 0.00 -0.57 0.00 0.00 31.44 32.09 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 0.26 0.00 3.49 5.02 -1.26 -3.29 118.16 136.38 2cht n LYS 111 Ca 0.00 0.08 0.11 0.00 -2.02 0.00 0.00 58.31 56.48 2cht n LYS 111 Cb 0.00 -1.50 0.61 0.00 -0.02 0.00 0.00 35.03 34.12 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 -1.33 2.24 0.18 7.82 0.00 -0.12 -2.57 120.51 126.73 2cht n ALA 112 Ca 0.10 -0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.52 2cht n ALA 112 Cb 0.20 -1.37 0.56 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.18 1.06 0.34 0.00 0.24 -1.21 -1.39 118.33 116.20 2cht n VAL 113 Ca 0.13 0.69 0.07 0.00 -2.04 0.00 0.00 64.34 63.19 2cht n VAL 113 Cb 0.14 -1.68 0.22 0.00 -1.47 0.00 0.00 33.84 31.06 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 -2.23 0.82 1.30 3.34 3.14 -1.06 -5.05 118.33 118.59 2cht n VAL 114 Ca -0.01 -0.69 0.13 0.00 -2.96 0.00 0.00 64.34 60.81 2cht n VAL 114 Cb 0.05 0.24 0.36 0.00 -1.06 0.00 0.00 33.84 33.42 2cht n VAL 114 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55