#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 0.77 0.28 1.12 -5.25 -1.26 -1.22 121.20 115.65 2cht s ILE 3 Ca 0.00 -0.35 0.03 0.00 -0.99 0.00 0.00 60.65 59.34 2cht s ILE 3 Cb 0.00 -0.69 -0.06 0.00 2.95 0.00 0.00 42.46 44.66 2cht s ILE 3 CO 0.00 0.24 0.06 -0.13 -1.79 0.00 0.00 174.94 173.33 2cht s ARG 4 N 0.24 1.51 0.01 0.37 0.52 0.33 -4.92 118.95 117.01 2cht s ARG 4 Ca -0.04 -1.82 0.04 0.00 -0.52 0.00 0.00 55.73 53.39 2cht s ARG 4 Cb -0.09 -0.61 -0.03 0.00 0.52 0.00 0.00 34.95 34.74 2cht s ARG 4 CO 0.01 -0.21 -0.09 0.20 0.02 0.00 0.00 175.30 175.22 2cht s GLY 5 N -3.39 1.70 -0.02 -3.53 0.00 -1.26 0.23 107.32 101.05 2cht s GLY 5 Ca 0.36 -1.05 0.08 0.00 0.00 0.00 0.00 44.72 44.11 2cht s GLY 5 CO 0.14 -0.91 -0.25 -0.42 0.00 0.00 0.00 173.10 171.66 2cht s ILE 6 N -0.96 2.12 -0.05 0.90 1.01 0.15 -4.93 121.20 119.44 2cht s ILE 6 Ca 0.16 -1.08 0.02 0.00 0.00 0.00 0.00 60.65 59.75 2cht s ILE 6 Cb -0.11 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 2cht s ILE 6 CO 0.07 0.58 -0.09 -0.13 0.00 0.00 0.00 174.94 175.37 2cht s ARG 7 N -0.61 2.65 0.13 2.79 1.81 -1.26 -0.46 118.95 124.00 2cht s ARG 7 Ca 0.10 -0.61 0.01 0.00 -1.72 0.00 0.00 55.73 53.51 2cht s ARG 7 Cb -0.10 -2.52 -0.04 0.00 -0.45 0.00 0.00 34.95 31.84 2cht s ARG 7 CO -0.01 0.65 -0.03 0.20 -0.68 0.00 0.00 175.30 175.43 2cht s GLY 8 N -0.87 0.96 -0.17 -3.53 0.00 -0.49 -0.74 107.32 102.48 2cht s GLY 8 Ca 0.13 -1.45 -0.16 0.00 0.00 0.00 0.00 44.72 43.24 2cht s GLY 8 CO 0.02 -1.48 0.46 0.00 0.00 0.00 0.00 173.10 172.10 2cht s ALA 9 N -3.67 -1.14 0.23 3.20 0.00 -0.07 -1.20 121.76 119.11 2cht s ALA 9 Ca 0.17 1.31 -0.09 0.00 0.00 0.00 0.00 51.96 53.36 2cht s ALA 9 Cb 0.06 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 2cht s ALA 9 CO -0.01 -0.22 0.36 -0.08 0.00 0.00 0.00 175.76 175.82 2cht s THR 10 N 0.29 0.00 0.03 0.00 -1.32 0.29 -0.72 115.64 114.21 2cht s THR 10 Ca -0.00 -1.61 0.02 0.00 -1.21 0.00 0.00 61.69 58.90 2cht s THR 10 Cb -0.03 -2.31 -0.02 0.00 -1.51 0.00 0.00 72.50 68.63 2cht s THR 10 CO 0.00 0.00 -0.08 0.42 -2.21 0.00 0.00 174.62 172.75 2cht s THR 11 N -4.05 0.60 0.18 5.08 -4.23 -1.24 -0.78 115.64 111.19 2cht s THR 11 Ca 0.28 -0.83 0.05 0.00 -1.18 0.00 0.00 61.69 60.01 2cht s THR 11 Cb 0.02 -0.60 -0.04 0.00 1.34 0.00 0.00 72.50 73.22 2cht s THR 11 CO 0.10 -0.19 0.15 0.68 -0.54 0.00 0.00 174.62 174.82 2cht s VAL 12 N -0.95 4.48 -0.69 2.29 -7.23 -0.78 -4.79 120.40 112.73 2cht s VAL 12 Ca -0.05 -1.13 0.24 0.00 -1.81 0.00 0.00 61.98 59.24 2cht s VAL 12 Cb -0.07 -3.31 0.05 0.00 0.56 0.00 0.00 36.38 33.61 2cht s VAL 12 CO 0.00 -0.14 1.35 1.21 -0.31 0.00 0.00 175.10 177.21 2cht n GLU 13 N -0.47 0.25 -3.69 4.82 4.07 -1.26 -4.84 120.64 119.52 2cht n GLU 13 Ca -0.08 0.08 -0.14 0.00 -0.06 0.00 0.00 57.16 56.95 2cht n GLU 13 Cb 0.55 -1.66 -0.08 0.00 -0.06 0.00 0.00 31.44 30.18 2cht n GLU 13 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2cht s ARG 14 N -3.14 0.69 -1.22 5.31 0.52 -1.26 -5.05 118.95 114.80 2cht s ARG 14 Ca 0.07 0.24 -0.18 0.00 -0.52 0.00 0.00 55.73 55.34 2cht s ARG 14 Cb 0.14 0.32 0.09 0.00 0.52 0.00 0.00 34.95 36.02 2cht s ARG 14 CO 0.71 -0.16 1.62 0.34 0.02 0.00 0.00 175.30 177.83 2cht s ASP 15 N -0.65 6.81 -0.04 0.23 2.15 -1.26 -4.66 116.67 119.26 2cht s ASP 15 Ca -0.07 -2.36 0.02 0.00 0.43 0.00 0.00 52.55 50.56 2cht s ASP 15 Cb -0.03 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 40.06 2cht s ASP 15 CO 0.04 -1.15 -0.08 -0.89 -0.17 0.00 0.00 175.17 172.92 2cht s THR 16 N 3.85 0.71 0.31 1.71 2.01 -1.26 -4.64 115.64 118.33 2cht s THR 16 Ca 0.50 -0.28 0.07 0.00 0.31 0.00 0.00 61.69 62.29 2cht s THR 16 Cb 0.02 -0.67 0.32 0.00 0.01 0.00 0.00 72.50 72.18 2cht s THR 16 CO 0.03 0.24 1.66 -0.08 -0.69 0.00 0.00 174.62 175.78 2cht h GLU 17 N 6.71 0.28 -0.41 4.92 4.81 -1.88 -1.57 114.58 127.44 2cht h GLU 17 Ca -0.35 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.84 2cht h GLU 17 Cb 1.17 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 2cht h GLU 17 CO 0.48 0.18 0.14 1.49 -0.73 0.00 0.00 179.01 180.57 2cht h GLU 18 N 0.29 0.63 -0.16 1.92 4.81 -1.96 -2.02 114.58 118.08 2cht h GLU 18 Ca 0.62 -0.13 -0.17 0.00 -0.13 0.00 0.00 59.36 59.55 2cht h GLU 18 Cb 1.31 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 2cht h GLU 18 CO -0.62 0.61 -0.62 1.49 -0.73 0.00 0.00 179.01 179.14 2cht h GLU 19 N 0.51 0.55 -0.31 1.92 4.81 -1.72 0.15 114.58 120.50 2cht h GLU 19 Ca 0.13 -0.38 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 2cht h GLU 19 Cb 0.24 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2cht h GLU 19 CO -0.01 1.00 0.12 0.82 -0.73 0.00 0.00 179.01 180.22 2cht h ILE 20 N 0.41 1.18 -0.22 2.32 2.04 -1.25 0.39 117.51 122.38 2cht h ILE 20 Ca -0.01 -0.55 -0.12 0.00 1.00 0.00 0.00 64.86 65.19 2cht h ILE 20 Cb 1.19 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 2cht h ILE 20 CO 0.12 0.19 -0.33 -0.07 0.00 0.00 0.00 178.15 178.06 2cht h LEU 21 N 0.35 0.67 0.23 1.44 3.38 -1.16 0.69 115.31 120.91 2cht h LEU 21 Ca 0.10 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 2cht h LEU 21 Cb 0.18 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2cht h LEU 21 CO -0.01 1.06 -0.11 -0.61 0.09 0.00 0.00 178.44 178.86 2cht h GLN 22 N 0.31 -0.30 0.00 1.13 4.15 -0.65 -0.64 115.11 119.10 2cht h GLN 22 Ca 0.02 0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.38 2cht h GLN 22 Cb 0.91 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.66 2cht h GLN 22 CO 0.08 -0.12 -0.38 0.87 -1.93 0.00 0.00 178.83 177.35 2cht h LYS 23 N -0.42 0.00 -0.01 1.69 1.79 -0.93 -1.16 116.57 117.52 2cht h LYS 23 Ca -0.03 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 2cht h LYS 23 Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2cht h LYS 23 CO 0.05 0.38 -0.08 1.15 -1.08 0.00 0.00 179.45 179.87 2cht h THR 24 N 0.00 1.55 -0.68 -0.16 2.02 -0.61 -2.88 112.91 112.15 2cht h THR 24 Ca -0.00 -1.72 0.11 0.00 0.77 0.00 0.00 66.41 65.57 2cht h THR 24 Cb 0.77 2.67 -0.08 0.00 -1.74 0.00 0.00 68.15 69.77 2cht h THR 24 CO 0.05 0.46 0.27 0.50 0.37 0.00 0.00 175.52 177.17 2cht h LYS 25 N -0.61 0.44 0.00 6.66 3.64 -1.03 0.13 116.57 125.80 2cht h LYS 25 Ca -0.01 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2cht h LYS 25 Cb 0.79 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2cht h LYS 25 CO 0.02 0.29 -0.15 1.96 -2.27 0.00 0.00 179.45 179.30 2cht h GLN 26 N 0.45 0.00 0.17 1.90 4.20 -1.28 0.15 115.11 120.71 2cht h GLN 26 Ca 0.35 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.05 2cht h GLN 26 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 2cht h GLN 26 CO -0.34 0.15 -0.08 1.25 -0.67 0.00 0.00 178.83 179.14 2cht h LEU 27 N 0.00 -0.20 -0.62 1.46 5.85 -0.76 -2.90 115.31 118.14 2cht h LEU 27 Ca -0.00 -0.31 0.13 0.00 0.84 0.00 0.00 57.88 58.54 2cht h LEU 27 Cb 0.27 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.25 2cht h LEU 27 CO 0.02 0.36 0.02 -0.07 -0.34 0.00 0.00 178.44 178.43 2cht h LEU 28 N -0.91 -0.23 -1.46 2.25 3.38 -0.46 0.73 115.31 118.61 2cht h LEU 28 Ca -0.02 0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.17 2cht h LEU 28 Cb 0.50 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 2cht h LEU 28 CO 0.04 -0.10 0.45 -0.33 0.09 0.00 0.00 178.44 178.59 2cht h GLU 29 N 0.14 0.62 0.01 1.13 5.08 -0.78 -1.84 114.58 118.95 2cht h GLU 29 Ca 0.33 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.45 2cht h GLU 29 Cb 0.53 -0.14 0.02 0.00 0.50 0.00 0.00 28.75 29.66 2cht h GLU 29 CO -0.52 0.41 -0.79 -0.22 -1.00 0.00 0.00 179.01 176.90 2cht h LYS 30 N 0.64 0.52 -0.34 2.33 1.63 -0.68 -1.18 116.57 119.49 2cht h LYS 30 Ca 0.30 -0.57 -0.00 0.00 -0.85 0.00 0.00 60.65 59.52 2cht h LYS 30 Cb 0.34 0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.12 2cht h LYS 30 CO -0.10 1.20 0.19 0.82 -3.45 0.00 0.00 179.45 178.11 2cht h ILE 31 N 0.07 1.13 -0.80 2.00 2.04 -0.65 -0.03 117.51 121.27 2cht h ILE 31 Ca -0.10 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 2cht h ILE 31 Cb 1.49 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 2cht h ILE 31 CO 0.15 0.13 0.44 0.40 0.00 0.00 0.00 178.15 179.28 2cht h ILE 32 N 0.43 1.23 0.47 -0.67 2.04 -1.33 0.47 117.51 120.16 2cht h ILE 32 Ca 0.12 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 2cht h ILE 32 Cb 0.04 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 2cht h ILE 32 CO -0.02 0.26 -0.22 -0.08 0.00 0.00 0.00 178.15 178.09 2cht h GLU 33 N 1.12 -0.60 -0.96 2.37 4.81 -0.81 0.24 114.58 120.75 2cht h GLU 33 Ca 0.28 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.62 2cht h GLU 33 Cb 0.02 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.47 2cht h GLU 33 CO -0.05 -0.30 0.62 0.93 -0.73 0.00 0.00 179.01 179.49 2cht h GLU 34 N -0.99 1.07 -0.29 1.92 4.39 -0.73 -2.64 114.58 117.30 2cht h GLU 34 Ca -0.06 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.57 2cht h GLU 34 Cb 0.58 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2cht h GLU 34 CO 0.11 0.71 0.00 0.09 -1.16 0.00 0.00 179.01 178.75 2cht n ASN 35 N -4.50 3.26 -3.68 1.42 3.02 0.16 -4.90 115.26 110.04 2cht n ASN 35 Ca 0.15 -1.96 -0.28 0.00 -0.03 0.00 0.00 54.58 52.46 2cht n ASN 35 Cb 0.20 -0.18 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 1.38 -2.26 -2.67 3.10 8.25 0.74 -4.93 115.22 118.82 2cht n HIS 36 Ca 0.17 0.81 -0.41 0.00 -0.26 0.00 0.00 57.72 58.03 2cht n HIS 36 Cb 0.58 -4.02 -0.05 0.00 1.12 0.00 0.00 29.99 27.63 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 -3.23 4.24 0.03 1.59 2.01 -0.51 -5.02 115.64 114.74 2cht s THR 37 Ca 0.58 1.95 0.05 0.00 0.31 0.00 0.00 61.69 64.58 2cht s THR 37 Cb -0.28 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 67.95 2cht s THR 37 CO 0.71 0.34 -0.12 -0.54 -0.69 0.00 0.00 174.62 174.33 2cht s LYS 38 N -0.36 2.30 0.53 4.92 -0.14 -1.26 -4.90 119.74 120.83 2cht s LYS 38 Ca 0.46 -0.87 0.30 0.00 -1.36 0.00 0.00 55.97 54.50 2cht s LYS 38 Cb -0.26 -2.35 1.45 0.00 -1.68 0.00 0.00 37.83 35.00 2cht s LYS 38 CO 0.32 0.56 1.91 -1.00 -0.76 0.00 0.00 175.35 176.38 2cht h PRO 39 N 4.40 0.02 -0.00 -1.68 0.13 -1.96 -0.57 132.00 132.33 2cht h PRO 39 Ca -0.48 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2cht h PRO 39 Cb 1.16 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2cht h PRO 39 CO 0.51 0.01 -0.17 -0.85 -0.23 0.00 0.00 178.00 177.27 2cht n GLU 40 N -4.30 0.26 0.13 0.86 0.00 -1.26 -2.62 120.64 113.71 2cht n GLU 40 Ca 0.17 -0.08 0.12 0.00 0.00 0.00 0.00 57.16 57.37 2cht n GLU 40 Cb 0.88 -1.50 0.21 0.00 0.00 0.00 0.00 31.44 31.03 2cht n GLU 40 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 2cht h ASP 41 N 0.21 0.00 -3.36 -1.84 3.32 -1.44 -3.47 116.42 109.84 2cht h ASP 41 Ca 0.00 -0.05 -0.58 0.00 0.02 0.00 0.00 57.03 56.41 2cht h ASP 41 Cb 0.44 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.91 2cht h ASP 41 CO 0.00 0.03 0.24 -0.69 -1.72 0.00 0.00 179.24 177.10 2cht s VAL 42 N -3.19 4.96 -0.08 -1.35 1.01 -1.08 -0.59 120.40 120.08 2cht s VAL 42 Ca 0.07 1.42 -0.24 0.00 0.00 0.00 0.00 61.98 63.23 2cht s VAL 42 Cb 0.10 -4.04 -0.19 0.00 0.00 0.00 0.00 36.38 32.24 2cht s VAL 42 CO 0.68 0.09 0.87 0.58 0.00 0.00 0.00 175.10 177.32 2cht h VAL 43 N 5.15 1.25 -1.56 2.92 2.07 -1.10 -3.46 116.25 121.51 2cht h VAL 43 Ca -0.31 -1.55 0.30 0.00 0.82 0.00 0.00 66.70 65.96 2cht h VAL 43 Cb 1.14 2.19 -0.12 0.00 -1.52 0.00 0.00 31.29 32.98 2cht h VAL 43 CO 0.80 0.36 0.78 0.00 0.02 0.00 0.00 177.57 179.53 2cht s GLN 44 N -3.08 0.49 0.02 1.57 -2.07 -1.21 -4.50 119.66 110.88 2cht s GLN 44 Ca -0.15 -0.27 0.02 0.00 -1.82 0.00 0.00 55.36 53.15 2cht s GLN 44 Cb -0.01 0.17 -0.02 0.00 -1.09 0.00 0.00 33.01 32.07 2cht s GLN 44 CO 0.57 -0.23 -0.08 1.41 -1.32 0.00 0.00 175.29 175.64 2cht s MET 45 N -2.54 0.56 -0.09 9.60 1.75 0.22 -1.06 119.30 127.74 2cht s MET 45 Ca 0.14 -0.53 0.03 0.00 -1.25 0.00 0.00 55.69 54.08 2cht s MET 45 Cb 0.04 -0.45 0.01 0.00 2.84 0.00 0.00 34.83 37.26 2cht s MET 45 CO -0.03 0.11 -0.18 -0.51 -0.65 0.00 0.00 175.02 173.76 2cht s LEU 46 N -0.91 1.85 -0.11 4.11 1.43 0.31 -2.88 118.68 122.47 2cht s LEU 46 Ca -0.03 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 2cht s LEU 46 Cb -0.06 -1.12 0.01 0.00 0.03 0.00 0.00 46.19 45.04 2cht s LEU 46 CO 0.00 0.08 -0.21 -0.76 0.23 0.00 0.00 176.35 175.69 2cht s LEU 47 N 0.61 2.00 0.05 1.79 1.43 -0.59 -0.75 118.68 123.22 2cht s LEU 47 Ca -0.14 -0.53 0.07 0.00 -1.03 0.00 0.00 54.13 52.50 2cht s LEU 47 Cb -0.16 -1.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 2cht s LEU 47 CO 0.05 0.11 -0.17 -0.94 0.23 0.00 0.00 176.35 175.63 2cht s SER 48 N 0.58 3.92 0.03 2.29 1.04 -0.06 -1.44 113.70 120.06 2cht s SER 48 Ca -0.14 -0.42 0.08 0.00 0.48 0.00 0.00 55.95 55.96 2cht s SER 48 Cb -0.17 -0.66 -0.03 0.00 0.10 0.00 0.00 66.02 65.27 2cht s SER 48 CO 0.04 0.24 -0.24 0.00 0.98 0.00 0.00 173.24 174.26 2cht s ALA 49 N -0.98 2.31 1.02 5.32 0.00 -0.82 -1.13 121.76 127.48 2cht s ALA 49 Ca 0.16 -1.21 -0.12 0.00 0.00 0.00 0.00 51.96 50.79 2cht s ALA 49 Cb -0.11 -0.56 0.20 0.00 0.00 0.00 0.00 23.12 22.66 2cht s ALA 49 CO 0.07 0.54 1.08 0.95 0.00 0.00 0.00 175.76 178.40 2cht s THR 50 N -0.78 2.20 0.00 0.00 -4.23 -0.53 -1.38 115.64 110.91 2cht s THR 50 Ca 0.12 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.69 2cht s THR 50 Cb -0.10 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.52 2cht s THR 50 CO 0.02 -0.08 1.12 -0.81 -0.54 0.00 0.00 174.62 174.33 2cht n PRO 51 N -4.45 0.90 -0.08 3.99 -0.04 -1.26 -3.26 135.00 130.80 2cht n PRO 51 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2cht n PRO 51 Cb 0.54 -1.05 0.01 0.00 -0.04 0.00 0.00 33.50 32.95 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 0.80 0.48 -4.19 3.54 5.75 -1.26 -5.01 116.55 116.66 2cht n ASP 52 Ca 0.00 -1.43 -0.32 0.00 -0.01 0.00 0.00 54.79 53.03 2cht n ASP 52 Cb 0.45 -0.05 -0.17 0.00 -1.03 0.00 0.00 41.12 40.32 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 -0.31 2.09 0.00 -2.12 1.43 -1.20 -4.81 118.68 113.75 2cht s LEU 53 Ca 0.01 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 2cht s LEU 53 Cb 0.01 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.81 2cht s LEU 53 CO 0.00 0.11 0.00 1.41 0.23 0.00 0.00 176.35 178.10 2cht n HIS 54 N 3.84 0.00 -0.13 0.29 8.25 -1.26 -4.94 115.22 121.28 2cht n HIS 54 Ca -0.20 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.22 2cht n HIS 54 Cb 0.52 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.65 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 0.27 -2.82 -1.41 0.00 -1.94 -3.45 119.26 109.91 2cht h ALA 55 Ca 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2cht h ALA 55 Cb 0.00 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 17.99 2cht h ALA 55 CO 0.00 -0.45 -0.01 0.54 0.00 0.00 0.00 179.25 179.33 2cht s VAL 56 N -6.22 0.05 0.14 0.00 0.11 -1.26 -4.83 120.40 108.39 2cht s VAL 56 Ca -0.14 -0.56 -0.30 0.00 -2.93 0.00 0.00 61.98 58.05 2cht s VAL 56 Cb 0.15 -1.26 -0.07 0.00 -1.53 0.00 0.00 36.38 33.67 2cht s VAL 56 CO 0.71 -0.22 1.02 -0.36 -3.33 0.00 0.00 175.10 172.92 2cht s PHE 57 N -3.82 3.72 0.45 1.54 0.08 -1.26 -4.95 117.98 113.74 2cht s PHE 57 Ca 0.05 1.71 0.16 0.00 0.12 0.00 0.00 56.93 58.96 2cht s PHE 57 Cb 0.01 -3.15 1.08 0.00 -0.57 0.00 0.00 43.02 40.39 2cht s PHE 57 CO -0.10 -0.15 1.98 -1.35 -0.10 0.00 0.00 175.22 175.50 2cht h PRO 58 N 5.35 0.34 0.00 0.24 0.11 -1.93 -2.94 132.00 133.17 2cht h PRO 58 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2cht h PRO 58 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2cht h PRO 58 CO 0.72 0.22 0.02 0.00 -0.21 0.00 0.00 178.00 178.76 2cht n ALA 59 N -2.54 1.05 0.09 -0.75 0.00 -1.26 -0.92 120.51 116.19 2cht n ALA 59 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.50 2cht n ALA 59 Cb 0.42 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.92 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 0.00 0.00 0.00 3.64 -1.93 -3.09 116.57 115.18 2cht h LYS 60 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2cht h LYS 60 Cb 0.05 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2cht h LYS 60 CO 0.00 0.83 -0.02 0.00 -2.27 0.00 0.00 179.45 177.99 2cht h ALA 61 N 1.17 1.19 0.00 5.00 0.00 -1.27 -1.87 119.26 123.49 2cht h ALA 61 Ca -0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2cht h ALA 61 Cb 1.53 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 2cht h ALA 61 CO 0.11 0.02 -0.45 0.28 0.00 0.00 0.00 179.25 179.21 2cht h VAL 62 N 0.00 1.18 0.00 0.00 2.07 -1.74 -2.86 116.25 114.90 2cht h VAL 62 Ca -0.00 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.92 2cht h VAL 62 Cb 0.09 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2cht h VAL 62 CO 0.00 0.44 0.00 -1.14 0.02 0.00 0.00 177.57 176.89 2cht n ARG 63 N -3.80 0.11 -0.79 1.57 0.00 -0.70 -1.64 116.66 111.40 2cht n ARG 63 Ca -0.01 0.14 0.08 0.00 -0.00 0.00 0.00 57.85 58.06 2cht n ARG 63 Cb 0.50 -1.50 0.39 0.00 0.00 0.00 0.00 32.46 31.85 2cht n ARG 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2cht n GLU 64 N -1.42 4.45 -4.04 -0.14 1.02 -1.08 -4.81 120.64 114.62 2cht n GLU 64 Ca 0.07 -3.02 -0.33 0.00 -0.02 0.00 0.00 57.16 53.86 2cht n GLU 64 Cb 0.20 -2.13 -0.15 0.00 -0.02 0.00 0.00 31.44 29.34 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 -2.39 3.26 0.36 -4.62 1.43 -0.65 -5.09 118.68 110.98 2cht s LEU 65 Ca 0.53 -1.19 -0.28 0.00 -1.03 0.00 0.00 54.13 52.16 2cht s LEU 65 Cb 0.38 -1.58 -0.11 0.00 0.03 0.00 0.00 46.19 44.91 2cht s LEU 65 CO 0.19 -0.16 1.48 -1.20 0.23 0.00 0.00 176.35 176.89 2cht n SER 66 N 4.52 3.70 0.00 2.29 7.64 -1.26 -1.54 113.62 128.98 2cht n SER 66 Ca -0.15 1.21 0.00 0.00 1.01 0.00 0.00 58.87 60.94 2cht n SER 66 Cb 0.44 -1.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.04 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 0.73 2.31 1.52 0.23 0.00 -1.26 -4.91 105.19 103.81 2cht n GLY 67 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 1.52 0.11 1.61 7.02 -0.59 -4.53 117.44 120.58 2cht n TRP 68 Ca 0.00 -0.54 0.01 0.00 -1.02 0.00 0.00 57.50 55.95 2cht n TRP 68 Cb 0.00 -0.36 0.06 0.00 -2.42 0.00 0.00 31.31 28.59 2cht n TRP 68 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 2cht n GLN 69 N 0.61 0.02 0.00 -0.99 3.00 -1.26 -2.77 117.38 115.99 2cht n GLN 69 Ca 0.22 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.55 2cht n GLN 69 Cb 0.92 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.66 2cht n GLN 69 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2cht n TYR 70 N -1.38 0.00 -2.28 1.08 4.01 -1.26 -5.01 117.16 112.32 2cht n TYR 70 Ca 0.01 -0.11 -0.42 0.00 -0.16 0.00 0.00 57.90 57.21 2cht n TYR 70 Cb 0.02 -0.01 -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 -0.23 3.89 0.31 -0.72 1.01 -1.11 -5.01 120.40 118.54 2cht s VAL 71 Ca 0.00 1.23 -0.28 0.00 0.00 0.00 0.00 61.98 62.93 2cht s VAL 71 Cb 0.00 -3.79 -0.09 0.00 0.00 0.00 0.00 36.38 32.50 2cht s VAL 71 CO 0.00 -0.02 1.10 -2.84 0.00 0.00 0.00 175.10 173.34 2cht s PRO 72 N 2.61 4.52 -0.03 2.72 0.02 -1.26 -4.94 135.00 138.64 2cht s PRO 72 Ca 0.62 1.77 -0.14 0.00 0.02 0.00 0.00 61.00 63.27 2cht s PRO 72 Cb -0.29 -3.05 0.02 0.00 0.02 0.00 0.00 34.50 31.21 2cht s PRO 72 CO 0.24 0.11 0.30 0.14 -0.33 0.00 0.00 177.00 177.47 2cht s VAL 73 N -1.26 0.05 -0.03 3.83 -7.23 -1.26 -0.61 120.40 113.90 2cht s VAL 73 Ca 0.47 -0.43 -0.23 0.00 -1.81 0.00 0.00 61.98 59.99 2cht s VAL 73 Cb -0.30 -0.58 0.05 0.00 0.56 0.00 0.00 36.38 36.10 2cht s VAL 73 CO 0.39 -0.23 0.49 0.28 -0.31 0.00 0.00 175.10 175.72 2cht s THR 74 N -1.14 0.03 0.46 5.32 -1.32 -1.14 -4.99 115.64 112.85 2cht s THR 74 Ca -0.12 -0.24 0.07 0.00 -1.21 0.00 0.00 61.69 60.19 2cht s THR 74 Cb -0.05 -0.81 0.00 0.00 -1.51 0.00 0.00 72.50 70.13 2cht s THR 74 CO 0.04 -0.13 0.44 0.00 -2.21 0.00 0.00 174.62 172.75 2cht s MET 76 N -4.23 0.91 -0.20 0.00 0.23 -0.52 -4.88 119.30 110.61 2cht s MET 76 Ca 0.47 -0.11 -0.25 0.00 -1.03 0.00 0.00 55.69 54.78 2cht s MET 76 Cb -0.04 0.42 -0.01 0.00 -1.53 0.00 0.00 34.83 33.67 2cht s MET 76 CO 0.28 -0.35 0.82 -1.14 -2.03 0.00 0.00 175.02 172.60 2cht s GLN 77 N -2.35 4.25 0.48 3.16 0.74 -1.26 -1.95 119.66 122.73 2cht s GLN 77 Ca -0.01 0.97 -0.22 0.00 0.05 0.00 0.00 55.36 56.14 2cht s GLN 77 Cb -0.01 -3.60 -0.07 0.00 1.10 0.00 0.00 33.01 30.44 2cht s GLN 77 CO -0.03 -0.40 1.20 -2.00 -0.55 0.00 0.00 175.29 173.52 2cht s GLU 78 N 2.40 3.59 0.73 1.67 2.56 -0.48 -4.90 118.70 124.28 2cht s GLU 78 Ca 0.36 1.86 -0.14 0.00 0.00 0.00 0.00 54.97 57.06 2cht s GLU 78 Cb -0.16 -2.35 0.04 0.00 2.00 0.00 0.00 34.13 33.66 2cht s GLU 78 CO 0.10 -0.71 1.17 0.00 -0.56 0.00 0.00 175.26 175.26 2cht s MET 79 N -2.78 2.19 -1.10 4.30 0.23 -1.26 -4.40 119.30 116.48 2cht s MET 79 Ca 0.66 1.62 -0.15 0.00 -1.03 0.00 0.00 55.69 56.79 2cht s MET 79 Cb -0.31 -1.85 0.16 0.00 -1.53 0.00 0.00 34.83 31.30 2cht s MET 79 CO 0.37 -1.76 1.31 0.34 -2.03 0.00 0.00 175.02 173.24 2cht s ASP 80 N -2.29 6.92 0.17 -1.18 2.15 -1.26 -4.87 116.67 116.31 2cht s ASP 80 Ca 0.71 -2.69 -0.24 0.00 0.43 0.00 0.00 52.55 50.77 2cht s ASP 80 Cb -0.26 -2.39 -0.08 0.00 -0.30 0.00 0.00 42.92 39.89 2cht s ASP 80 CO 0.46 -0.84 0.75 -0.69 -0.17 0.00 0.00 175.17 174.68 2cht s VAL 81 N 1.83 4.44 -0.31 1.11 1.01 -1.26 -5.02 120.40 122.21 2cht s VAL 81 Ca 0.38 1.58 -0.29 0.00 0.00 0.00 0.00 61.98 63.65 2cht s VAL 81 Cb -0.04 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.30 2cht s VAL 81 CO -0.04 0.46 1.13 -0.89 0.00 0.00 0.00 175.10 175.76 2cht s THR 82 N -1.22 4.43 0.00 3.92 2.01 -1.26 -1.75 115.64 121.76 2cht s THR 82 Ca 0.37 1.64 0.00 0.00 0.31 0.00 0.00 61.69 64.01 2cht s THR 82 Cb -0.21 -4.35 0.00 0.00 0.01 0.00 0.00 72.50 67.94 2cht s THR 82 CO 0.24 -0.47 0.00 0.61 -0.69 0.00 0.00 174.62 174.32 2cht n GLY 83 N 3.95 0.46 3.72 4.40 0.00 -1.26 -5.08 105.19 111.38 2cht n GLY 83 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.10 2.51 0.06 -0.02 0.00 -0.72 -4.87 107.32 103.18 2cht s GLY 84 Ca 0.00 1.01 -0.31 0.00 0.00 0.00 0.00 44.72 45.42 2cht s GLY 84 CO 0.00 1.43 1.72 -2.27 0.00 0.00 0.00 173.10 173.98 2cht s LEU 85 N -4.96 4.37 0.55 0.66 2.96 -1.26 -4.96 118.68 116.04 2cht s LEU 85 Ca 0.77 2.53 -0.10 0.00 -0.22 0.00 0.00 54.13 57.12 2cht s LEU 85 Cb -0.32 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.76 2cht s LEU 85 CO 0.44 -0.93 0.93 -0.54 -1.32 0.00 0.00 176.35 174.93 2cht s LYS 86 N 2.98 3.63 -1.35 1.98 -0.14 -1.26 -4.26 119.74 121.32 2cht s LYS 86 Ca 0.77 0.58 -0.01 0.00 -1.36 0.00 0.00 55.97 55.94 2cht s LYS 86 Cb -0.41 -2.20 0.01 0.00 -1.68 0.00 0.00 37.83 33.55 2cht s LYS 86 CO 0.34 -0.38 0.66 1.63 -0.76 0.00 0.00 175.35 176.83 2cht n LYS 87 N -2.35 -4.56 -4.73 1.68 5.02 -1.26 -4.85 118.16 107.11 2cht n LYS 87 Ca 0.04 0.56 -0.33 0.00 -2.02 0.00 0.00 58.31 56.56 2cht n LYS 87 Cb 0.54 -5.05 -0.12 0.00 -0.02 0.00 0.00 35.03 30.38 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 -0.79 2.45 0.10 0.00 1.01 0.04 -1.46 121.20 122.55 2cht s ILE 89 Ca 0.12 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 59.90 2cht s ILE 89 Cb -0.11 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 2cht s ILE 89 CO 0.02 0.57 -0.16 -0.13 0.00 0.00 0.00 174.94 175.24 2cht s ARG 90 N -0.36 0.99 0.02 2.79 0.52 -0.28 -0.54 118.95 122.08 2cht s ARG 90 Ca 0.03 -1.14 0.03 0.00 -0.52 0.00 0.00 55.73 54.13 2cht s ARG 90 Cb -0.12 -1.00 -0.01 0.00 0.52 0.00 0.00 34.95 34.33 2cht s ARG 90 CO 0.02 0.21 -0.10 0.54 0.02 0.00 0.00 175.30 175.99 2cht s VAL 91 N -1.65 0.80 -0.29 3.52 0.11 -0.34 -0.88 120.40 121.67 2cht s VAL 91 Ca 0.05 -0.68 0.01 0.00 -2.93 0.00 0.00 61.98 58.43 2cht s VAL 91 Cb -0.08 -0.72 0.09 0.00 -1.53 0.00 0.00 36.38 34.14 2cht s VAL 91 CO 0.03 0.05 0.05 -0.32 -3.33 0.00 0.00 175.10 171.58 2cht s MET 92 N -0.71 1.09 -0.27 1.54 1.75 0.07 -1.40 119.30 121.37 2cht s MET 92 Ca 0.01 -1.19 -0.08 0.00 -1.25 0.00 0.00 55.69 53.18 2cht s MET 92 Cb -0.06 -2.42 -0.02 0.00 2.84 0.00 0.00 34.83 35.18 2cht s MET 92 CO 0.00 -0.86 0.09 1.41 -0.65 0.00 0.00 175.02 175.01 2cht s MET 93 N 1.42 3.46 -0.30 4.11 1.75 0.39 -0.53 119.30 129.60 2cht s MET 93 Ca 0.06 -0.61 -0.18 0.00 -1.25 0.00 0.00 55.69 53.70 2cht s MET 93 Cb -0.18 -3.38 -0.02 0.00 2.84 0.00 0.00 34.83 34.10 2cht s MET 93 CO -0.16 -0.29 0.52 0.99 -0.65 0.00 0.00 175.02 175.44 2cht s THR 94 N 1.59 5.03 -0.06 10.11 2.01 -0.23 0.34 115.64 134.44 2cht s THR 94 Ca 0.05 0.67 0.03 0.00 0.31 0.00 0.00 61.69 62.75 2cht s THR 94 Cb -0.16 -3.90 0.01 0.00 0.01 0.00 0.00 72.50 68.46 2cht s THR 94 CO 0.04 -0.06 -0.14 0.68 -0.69 0.00 0.00 174.62 174.45 2cht s VAL 95 N 2.38 1.26 -0.18 3.82 -7.23 0.14 -0.47 120.40 120.11 2cht s VAL 95 Ca 0.21 -0.57 -0.32 0.00 -1.81 0.00 0.00 61.98 59.48 2cht s VAL 95 Cb -0.15 -1.12 -0.09 0.00 0.56 0.00 0.00 36.38 35.57 2cht s VAL 95 CO 0.11 0.38 2.07 1.67 -0.31 0.00 0.00 175.10 179.02 2cht n GLN 96 N 3.59 1.91 -3.81 4.82 7.27 0.24 -0.51 117.38 130.89 2cht n GLN 96 Ca -0.21 0.62 -0.09 0.00 0.07 0.00 0.00 57.00 57.39 2cht n GLN 96 Cb 0.52 -2.81 -0.04 0.00 2.41 0.00 0.00 30.24 30.32 2cht n GLN 96 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 2cht s THR 97 N 6.17 0.03 0.00 1.69 -1.32 -0.35 -4.89 115.64 116.96 2cht s THR 97 Ca 0.99 -0.95 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 2cht s THR 97 Cb -0.60 -1.71 0.00 0.00 -1.51 0.00 0.00 72.50 68.67 2cht s THR 97 CO 0.45 -0.12 0.60 0.47 -2.21 0.00 0.00 174.62 173.82 2cht n ASP 98 N -0.34 0.92 -4.76 8.08 8.00 -1.26 -1.36 116.55 125.83 2cht n ASP 98 Ca -0.08 -1.36 -0.41 0.00 0.71 0.00 0.00 54.79 53.65 2cht n ASP 98 Cb 0.62 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.69 2cht n ASP 98 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2cht s VAL 99 N -0.36 3.11 0.58 2.53 1.01 -1.26 -4.98 120.40 121.02 2cht s VAL 99 Ca 0.00 1.06 -0.20 0.00 0.00 0.00 0.00 61.98 62.84 2cht s VAL 99 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2cht s VAL 99 CO 0.00 0.23 1.27 -2.84 0.00 0.00 0.00 175.10 173.76 2cht s PRO 100 N -1.28 3.01 0.28 2.72 0.02 -1.26 -4.84 135.00 133.65 2cht s PRO 100 Ca 0.49 2.00 -0.08 0.00 0.02 0.00 0.00 61.00 63.43 2cht s PRO 100 Cb -0.36 -2.06 0.46 0.00 0.02 0.00 0.00 34.50 32.55 2cht s PRO 100 CO 0.45 -1.22 1.57 0.37 -0.33 0.00 0.00 177.00 177.84 2cht h GLN 101 N 1.11 0.00 -0.05 5.54 4.15 -1.99 0.63 115.11 124.51 2cht h GLN 101 Ca -0.51 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.91 2cht h GLN 101 Cb 1.30 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.99 2cht h GLN 101 CO 0.56 0.00 0.00 -0.40 -1.93 0.00 0.00 178.83 177.06 2cht n ASP 102 N -5.60 0.05 0.00 -0.69 5.75 -1.26 -2.75 116.55 112.05 2cht n ASP 102 Ca 0.16 -1.57 0.00 0.00 -0.01 0.00 0.00 54.79 53.36 2cht n ASP 102 Cb 0.50 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 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 -0.46 0.46 -2.17 0.11 6.02 0.22 -5.04 117.38 116.51 2cht n GLN 103 Ca 0.00 -0.64 -0.35 0.00 -0.01 0.00 0.00 57.00 56.00 2cht n GLN 103 Cb 0.01 -0.79 0.01 0.00 1.02 0.00 0.00 30.24 30.50 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 -0.26 2.96 -0.28 5.09 -1.09 -1.11 -4.89 121.20 121.62 2cht s ILE 104 Ca 0.00 0.60 -0.07 0.00 -2.23 0.00 0.00 60.65 58.95 2cht s ILE 104 Cb 0.00 -3.24 0.00 0.00 -1.58 0.00 0.00 42.46 37.64 2cht s ILE 104 CO 0.00 -0.13 0.08 -0.13 -1.23 0.00 0.00 174.94 173.53 2cht s ARG 105 N -3.30 3.21 -0.18 2.79 0.52 -1.26 -5.07 118.95 115.66 2cht s ARG 105 Ca 0.75 -0.78 -0.09 0.00 -0.52 0.00 0.00 55.73 55.09 2cht s ARG 105 Cb -0.26 -3.36 -0.05 0.00 0.52 0.00 0.00 34.95 31.81 2cht s ARG 105 CO 0.29 -0.39 0.11 -1.01 0.02 0.00 0.00 175.30 174.32 2cht s HIS 106 N 1.52 3.40 -0.11 -0.53 3.76 -1.26 -4.68 115.29 117.39 2cht s HIS 106 Ca 0.03 0.30 -0.05 0.00 -0.15 0.00 0.00 55.06 55.20 2cht s HIS 106 Cb -0.17 -2.09 -0.04 0.00 1.11 0.00 0.00 32.58 31.40 2cht s HIS 106 CO 0.03 0.35 0.07 0.08 -0.85 0.00 0.00 174.74 174.41 2cht s VAL 107 N 0.06 4.87 -0.18 -0.90 1.01 0.08 -4.96 120.40 120.38 2cht s VAL 107 Ca 0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 2cht s VAL 107 Cb -0.11 -3.09 0.06 0.00 0.00 0.00 0.00 36.38 33.23 2cht s VAL 107 CO -0.00 0.60 0.06 -0.31 0.00 0.00 0.00 175.10 175.45 2cht s TYR 108 N -0.83 0.58 0.16 5.22 1.51 -1.26 -0.89 117.35 121.84 2cht s TYR 108 Ca 0.13 -0.54 0.09 0.00 -1.01 0.00 0.00 57.07 55.74 2cht s TYR 108 Cb -0.12 -0.84 -0.04 0.00 -0.11 0.00 0.00 41.96 40.85 2cht s TYR 108 CO 0.03 -0.54 -0.21 -0.51 -1.11 0.00 0.00 175.55 173.21 2cht s LEU 109 N 2.01 2.40 0.00 -1.29 1.43 0.10 -4.33 118.68 119.00 2cht s LEU 109 Ca 0.01 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.29 2cht s LEU 109 Cb -0.16 -0.94 0.00 0.00 0.03 0.00 0.00 46.19 45.11 2cht s LEU 109 CO -0.08 0.03 0.00 -0.62 0.23 0.00 0.00 176.35 175.91 2cht n GLU 110 N 0.49 0.00 0.07 1.70 -0.58 -1.26 -2.60 120.64 118.46 2cht n GLU 110 Ca -0.15 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.69 2cht n GLU 110 Cb 0.56 0.00 0.39 0.00 -0.57 0.00 0.00 31.44 31.82 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 12.95 0.10 0.13 3.49 5.02 -1.26 -3.12 118.16 135.47 2cht n LYS 111 Ca 0.00 0.36 0.11 0.00 -2.02 0.00 0.00 58.31 56.76 2cht n LYS 111 Cb 0.00 -1.69 0.50 0.00 -0.02 0.00 0.00 35.03 33.82 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 -1.64 1.49 0.10 7.82 0.00 -1.07 -2.92 120.51 124.29 2cht n ALA 112 Ca 0.03 0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.59 2cht n ALA 112 Cb 0.19 -1.36 0.06 0.00 0.00 0.00 0.00 19.45 18.33 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 -2.21 1.34 1.12 0.00 0.24 -1.18 -0.77 118.33 116.86 2cht n VAL 113 Ca 0.01 0.33 0.12 0.00 -2.04 0.00 0.00 64.34 62.77 2cht n VAL 113 Cb 0.17 -1.29 0.18 0.00 -1.47 0.00 0.00 33.84 31.43 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 -1.36 0.00 -0.03 3.34 3.14 -1.15 -4.46 118.33 117.81 2cht n VAL 114 Ca 0.01 -0.33 -0.14 0.00 -2.96 0.00 0.00 64.34 60.91 2cht n VAL 114 Cb 0.02 1.10 -0.11 0.00 -1.06 0.00 0.00 33.84 33.80 2cht n VAL 114 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2cht h LEU 115 N 3.15 0.17 -7.02 6.55 3.38 -1.21 -3.41 115.31 116.92 2cht h LEU 115 Ca 0.00 -0.69 -0.50 0.00 0.09 0.00 0.00 57.88 56.77 2cht h LEU 115 Cb 0.77 -0.05 -0.40 0.00 0.09 0.00 0.00 40.66 41.07 2cht h LEU 115 CO 0.00 0.84 -0.76 -0.60 0.09 0.00 0.00 178.44 178.00 2cht s ARG 116 N -3.44 0.26 -0.65 1.13 6.06 -1.26 -5.00 118.95 116.05 2cht s ARG 116 Ca -0.16 -0.37 0.01 0.00 -2.50 0.00 0.00 55.73 52.71 2cht s ARG 116 Cb 0.01 -1.68 0.39 0.00 0.06 0.00 0.00 34.95 33.73 2cht s ARG 116 CO 0.72 -0.80 1.67 -0.35 -2.50 0.00 0.00 175.30 174.04 2cht n PRO 117 N 5.19 3.03 0.00 5.12 -0.05 -1.26 -4.94 135.00 142.09 2cht n PRO 117 Ca -0.07 -3.86 0.00 0.00 -0.05 0.00 0.00 63.50 59.52 2cht n PRO 117 Cb 0.46 -2.27 0.00 0.00 -0.05 0.00 0.00 33.50 31.64 2cht n PRO 117 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 175.50 175.05