#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1com s ILE 3 N 0.00 2.29 0.03 1.12 -1.09 -1.26 -0.60 121.20 121.68 1com s ILE 3 Ca 0.00 -0.90 0.05 0.00 -2.23 0.00 0.00 60.65 57.57 1com s ILE 3 Cb 0.00 -1.93 -0.02 0.00 -1.58 0.00 0.00 42.46 38.93 1com s ILE 3 CO 0.00 0.54 -0.16 -0.13 -1.23 0.00 0.00 174.94 173.96 1com s ARG 4 N 0.81 1.11 0.30 2.79 1.81 -0.08 -4.94 118.95 120.74 1com s ARG 4 Ca -0.07 -0.73 -0.13 0.00 -1.72 0.00 0.00 55.73 53.09 1com s ARG 4 Cb -0.15 -1.13 -0.08 0.00 -0.45 0.00 0.00 34.95 33.14 1com s ARG 4 CO -0.01 0.29 0.68 0.20 -0.68 0.00 0.00 175.30 175.78 1com s GLY 5 N -0.91 2.27 -0.03 -3.53 0.00 -1.26 -1.50 107.32 102.35 1com s GLY 5 Ca 0.04 -0.10 0.03 0.00 0.00 0.00 0.00 44.72 44.70 1com s GLY 5 CO 0.01 0.09 -0.13 -0.42 0.00 0.00 0.00 173.10 172.65 1com s ILE 6 N -1.97 1.06 0.21 0.90 1.01 -0.01 -4.97 121.20 117.42 1com s ILE 6 Ca 0.52 -0.52 0.09 0.00 0.00 0.00 0.00 60.65 60.74 1com s ILE 6 Cb -0.10 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 1com s ILE 6 CO 0.20 0.32 -0.07 -0.13 0.00 0.00 0.00 174.94 175.25 1com s ARG 7 N 0.09 2.12 0.13 2.79 1.81 -1.26 -0.86 118.95 123.78 1com s ARG 7 Ca -0.03 -1.32 -0.16 0.00 -1.72 0.00 0.00 55.73 52.51 1com s ARG 7 Cb -0.09 -2.15 0.03 0.00 -0.45 0.00 0.00 34.95 32.29 1com s ARG 7 CO 0.01 0.41 0.41 0.20 -0.68 0.00 0.00 175.30 175.65 1com s GLY 8 N -3.07 -0.22 -0.08 -3.53 0.00 -0.97 -1.75 107.32 97.70 1com s GLY 8 Ca 0.27 -0.11 -0.25 0.00 0.00 0.00 0.00 44.72 44.63 1com s GLY 8 CO 0.16 -0.33 0.57 0.00 0.00 0.00 0.00 173.10 173.50 1com s ALA 9 N -3.82 -1.46 0.28 3.20 0.00 -0.43 -1.57 121.76 117.97 1com s ALA 9 Ca 0.04 1.14 -0.13 0.00 0.00 0.00 0.00 51.96 53.01 1com s ALA 9 Cb 0.02 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1com s ALA 9 CO -0.11 -0.32 0.56 -0.08 0.00 0.00 0.00 175.76 175.81 1com s THR 10 N -0.91 0.00 0.13 0.00 -1.32 -0.01 -0.06 115.64 113.47 1com s THR 10 Ca -0.09 -1.31 0.07 0.00 -1.21 0.00 0.00 61.69 59.15 1com s THR 10 Cb -0.02 -2.31 -0.04 0.00 -1.51 0.00 0.00 72.50 68.61 1com s THR 10 CO 0.07 0.00 -0.15 0.42 -2.21 0.00 0.00 174.62 172.74 1com s THR 11 N -3.64 1.47 0.21 5.08 -4.23 -1.26 -1.26 115.64 112.02 1com s THR 11 Ca 0.21 -1.77 0.09 0.00 -1.18 0.00 0.00 61.69 59.03 1com s THR 11 Cb -0.02 -1.62 -0.04 0.00 1.34 0.00 0.00 72.50 72.15 1com s THR 11 CO 0.11 -0.39 -0.07 0.68 -0.54 0.00 0.00 174.62 174.41 1com s VAL 12 N -2.11 3.25 -0.20 2.29 -7.23 -0.81 -4.87 120.40 110.72 1com s VAL 12 Ca 0.11 -1.78 0.19 0.00 -1.81 0.00 0.00 61.98 58.69 1com s VAL 12 Cb -0.05 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.21 1com s VAL 12 CO 0.04 -0.22 1.05 -0.33 -0.31 0.00 0.00 175.10 175.34 1com h GLU 13 N 2.52 0.00 -3.78 4.82 4.39 -1.96 -3.45 114.58 117.12 1com h GLU 13 Ca -0.45 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.07 1com h GLU 13 Cb 1.22 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 29.65 1com h GLU 13 CO 0.57 0.17 -0.64 1.03 -1.16 0.00 0.00 179.01 178.98 1com s ARG 14 N -3.13 0.29 -1.03 2.33 0.52 -1.26 -5.07 118.95 111.60 1com s ARG 14 Ca -0.00 -0.39 -0.21 0.00 -0.52 0.00 0.00 55.73 54.60 1com s ARG 14 Cb 0.09 0.11 0.07 0.00 0.52 0.00 0.00 34.95 35.74 1com s ARG 14 CO 0.78 -0.05 1.41 0.34 0.02 0.00 0.00 175.30 177.80 1com s ASP 15 N -1.07 6.58 0.05 0.23 2.15 -1.26 -4.62 116.67 118.72 1com s ASP 15 Ca -0.12 -1.72 -0.00 0.00 0.43 0.00 0.00 52.55 51.14 1com s ASP 15 Cb -0.07 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 39.98 1com s ASP 15 CO -0.00 -1.36 -0.04 0.42 -0.17 0.00 0.00 175.17 174.02 1com s THR 16 N 4.33 0.27 0.11 1.71 -4.23 -1.26 -4.76 115.64 111.81 1com s THR 16 Ca 0.44 -1.63 -0.20 0.00 -1.18 0.00 0.00 61.69 59.12 1com s THR 16 Cb -0.01 -1.27 -0.09 0.00 1.34 0.00 0.00 72.50 72.47 1com s THR 16 CO -0.08 -0.87 1.74 -0.08 -0.54 0.00 0.00 174.62 174.80 1com h GLU 17 N 3.46 0.21 -0.41 3.99 4.81 -1.92 -2.79 114.58 121.93 1com h GLU 17 Ca -0.34 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 58.96 1com h GLU 17 Cb 1.16 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.41 1com h GLU 17 CO 0.60 0.17 -0.12 1.49 -0.73 0.00 0.00 179.01 180.41 1com h GLU 18 N 0.19 -0.03 -0.24 1.92 4.81 -1.97 -0.13 114.58 119.13 1com h GLU 18 Ca 0.06 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 1com h GLU 18 Cb 0.01 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 1com h GLU 18 CO -0.01 -0.02 -0.20 0.93 -0.73 0.00 0.00 179.01 178.98 1com h GLU 19 N -0.03 0.56 -0.09 1.92 5.08 -1.86 -0.76 114.58 119.40 1com h GLU 19 Ca 0.20 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1com h GLU 19 Cb 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1com h GLU 19 CO -0.43 0.86 0.04 0.82 -1.00 0.00 0.00 179.01 179.29 1com h ILE 20 N 0.27 0.99 -0.31 3.13 2.04 -1.13 -0.19 117.51 122.31 1com h ILE 20 Ca 0.04 -0.03 -0.09 0.00 1.00 0.00 0.00 64.86 65.78 1com h ILE 20 Cb 0.74 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1com h ILE 20 CO 0.05 0.02 -0.17 -0.07 0.00 0.00 0.00 178.15 177.98 1com h LEU 21 N 0.09 0.68 -0.01 1.44 3.38 -1.05 0.49 115.31 120.33 1com h LEU 21 Ca 0.04 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 1com h LEU 21 Cb 0.01 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1com h LEU 21 CO -0.03 0.95 0.00 -0.61 0.09 0.00 0.00 178.44 178.84 1com h GLN 22 N 0.42 0.01 -0.26 1.13 4.15 -0.91 0.26 115.11 119.90 1com h GLN 22 Ca 0.07 -0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.38 1com h GLN 22 Cb 0.70 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 1com h GLN 22 CO 0.05 0.12 -0.28 0.87 -1.93 0.00 0.00 178.83 177.66 1com h LYS 23 N -0.10 0.52 -0.48 1.69 1.79 -1.01 -0.66 116.57 118.32 1com h LYS 23 Ca 0.00 -0.21 -0.12 0.00 -2.18 0.00 0.00 60.65 58.14 1com h LYS 23 Cb 0.11 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 1com h LYS 23 CO -0.00 0.75 -0.18 1.15 -1.08 0.00 0.00 179.45 180.10 1com h THR 24 N 0.45 1.27 -0.23 -0.16 2.02 -0.57 -1.90 112.91 113.79 1com h THR 24 Ca 0.06 -1.32 -0.02 0.00 0.77 0.00 0.00 66.41 65.90 1com h THR 24 Cb 0.72 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1com h THR 24 CO 0.06 0.46 0.07 0.50 0.37 0.00 0.00 175.52 176.97 1com h LYS 25 N 0.82 0.35 -0.95 6.66 3.64 -0.51 -2.13 116.57 124.45 1com h LYS 25 Ca 0.12 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1com h LYS 25 Cb 0.73 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.44 1com h LYS 25 CO 0.06 0.44 0.62 1.96 -2.27 0.00 0.00 179.45 180.26 1com h GLN 26 N 0.20 1.19 0.83 1.90 4.20 -1.13 -1.02 115.11 121.28 1com h GLN 26 Ca 0.07 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1com h GLN 26 Cb 0.23 -0.27 0.01 0.00 0.30 0.00 0.00 27.48 27.75 1com h GLN 26 CO -0.00 0.79 -0.40 1.25 -0.67 0.00 0.00 178.83 179.80 1com h LEU 27 N 1.22 -0.94 -0.82 1.46 5.85 -0.93 -2.44 115.31 118.71 1com h LEU 27 Ca 0.37 0.03 0.20 0.00 0.84 0.00 0.00 57.88 59.32 1com h LEU 27 Cb -0.05 0.24 -0.12 0.00 0.37 0.00 0.00 40.66 41.10 1com h LEU 27 CO -0.11 -0.62 0.24 -0.07 -0.34 0.00 0.00 178.44 177.54 1com h LEU 28 N -1.21 0.07 -1.31 2.25 3.38 -1.31 0.16 115.31 117.35 1com h LEU 28 Ca -0.11 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1com h LEU 28 Cb 0.85 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 1com h LEU 28 CO 0.19 -0.07 0.49 -0.33 0.09 0.00 0.00 178.44 178.81 1com h GLU 29 N 0.28 0.88 -0.17 1.13 5.08 -1.14 0.57 114.58 121.21 1com h GLU 29 Ca 0.49 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.61 1com h GLU 29 Cb 0.92 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.97 1com h GLU 29 CO -0.57 0.58 -0.65 -0.22 -1.00 0.00 0.00 179.01 177.15 1com h LYS 30 N 0.91 0.74 -0.86 2.33 1.63 -0.24 -1.01 116.57 120.06 1com h LYS 30 Ca 0.29 -0.57 -0.02 0.00 -0.85 0.00 0.00 60.65 59.50 1com h LYS 30 Cb 0.05 0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.75 1com h LYS 30 CO -0.08 1.19 0.45 0.82 -3.45 0.00 0.00 179.45 178.38 1com h ILE 31 N 0.45 1.26 -0.41 2.00 2.04 -0.45 0.81 117.51 123.21 1com h ILE 31 Ca -0.03 -0.66 -0.08 0.00 1.00 0.00 0.00 64.86 65.08 1com h ILE 31 Cb 1.28 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1com h ILE 31 CO 0.14 0.29 -0.05 0.40 0.00 0.00 0.00 178.15 178.93 1com h ILE 32 N 1.21 1.27 -0.52 -0.67 2.04 -0.90 -1.61 117.51 118.34 1com h ILE 32 Ca 0.30 -1.11 -0.08 0.00 1.00 0.00 0.00 64.86 64.97 1com h ILE 32 Cb 0.06 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1com h ILE 32 CO -0.04 0.38 0.01 -0.08 0.00 0.00 0.00 178.15 178.41 1com h GLU 33 N 0.58 0.91 -0.30 2.37 4.81 -0.70 0.35 114.58 122.60 1com h GLU 33 Ca 0.11 -0.28 -0.15 0.00 -0.13 0.00 0.00 59.36 58.91 1com h GLU 33 Cb 0.56 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1com h GLU 33 CO 0.03 0.93 -0.41 0.93 -0.73 0.00 0.00 179.01 179.75 1com h GLU 34 N 0.78 0.73 -0.11 1.92 4.39 -0.81 -3.29 114.58 118.18 1com h GLU 34 Ca 0.15 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1com h GLU 34 Cb 0.51 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1com h GLU 34 CO 0.02 1.00 0.00 0.09 -1.16 0.00 0.00 179.01 178.97 1com n ASN 35 N -4.03 2.46 -3.63 1.42 3.02 -0.61 -4.87 115.26 109.02 1com n ASN 35 Ca -0.02 -1.70 -0.20 0.00 -0.03 0.00 0.00 54.58 52.62 1com n ASN 35 Cb 0.54 -0.07 0.05 0.00 -0.61 0.00 0.00 39.78 39.69 1com n ASN 35 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1com n HIS 36 N 0.85 -1.98 -2.78 3.10 8.25 0.12 -4.94 115.22 117.84 1com n HIS 36 Ca 0.10 0.86 -0.40 0.00 -0.26 0.00 0.00 57.72 58.03 1com n HIS 36 Cb 0.40 -4.57 -0.06 0.00 1.12 0.00 0.00 29.99 26.88 1com n HIS 36 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1com s THR 37 N -3.59 4.12 -0.11 1.59 2.01 -0.95 -5.05 115.64 113.65 1com s THR 37 Ca 0.00 2.04 -0.03 0.00 0.31 0.00 0.00 61.69 64.02 1com s THR 37 Cb -0.00 -4.31 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 1com s THR 37 CO 0.79 0.50 -0.01 -0.54 -0.69 0.00 0.00 174.62 174.67 1com s LYS 38 N -1.13 3.26 0.39 4.92 -0.14 -1.26 -4.97 119.74 120.80 1com s LYS 38 Ca 0.41 -0.45 0.18 0.00 -1.36 0.00 0.00 55.97 54.75 1com s LYS 38 Cb -0.26 -2.85 1.11 0.00 -1.68 0.00 0.00 37.83 34.15 1com s LYS 38 CO 0.31 0.53 1.73 -1.35 -0.76 0.00 0.00 175.35 175.81 1com h PRO 39 N 5.76 0.37 0.00 -1.68 0.11 -1.96 -0.25 132.00 134.34 1com h PRO 39 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1com h PRO 39 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1com h PRO 39 CO 0.58 0.24 0.00 -0.85 -0.21 0.00 0.00 178.00 177.76 1com n GLU 40 N -4.71 0.04 -0.05 1.05 0.00 -1.26 -2.14 120.64 113.56 1com n GLU 40 Ca 0.28 0.08 0.12 0.00 0.00 0.00 0.00 57.16 57.64 1com n GLU 40 Cb 0.94 -1.55 0.33 0.00 0.00 0.00 0.00 31.44 31.16 1com n GLU 40 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1com n ASP 41 N -1.63 2.25 -4.52 -1.84 8.00 -0.11 -4.85 116.55 113.85 1com n ASP 41 Ca 0.06 -1.76 -0.42 0.00 0.71 0.00 0.00 54.79 53.38 1com n ASP 41 Cb 0.32 -0.07 -0.08 0.00 -0.02 0.00 0.00 41.12 41.27 1com n ASP 41 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1com s VAL 42 N -1.86 4.98 0.19 2.53 1.01 -0.91 -0.43 120.40 125.92 1com s VAL 42 Ca 0.34 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.24 1com s VAL 42 Cb 0.20 -4.06 0.09 0.00 0.00 0.00 0.00 36.38 32.62 1com s VAL 42 CO 0.30 -0.40 1.81 0.58 0.00 0.00 0.00 175.10 177.40 1com h VAL 43 N 5.73 1.02 -1.77 2.92 2.07 -1.09 -3.45 116.25 121.69 1com h VAL 43 Ca -0.27 -0.22 0.37 0.00 0.82 0.00 0.00 66.70 67.40 1com h VAL 43 Cb 1.11 0.33 -0.09 0.00 -1.52 0.00 0.00 31.29 31.12 1com h VAL 43 CO 0.82 0.12 0.93 0.00 0.02 0.00 0.00 177.57 179.45 1com s GLN 44 N -6.13 0.24 -0.11 1.57 -2.07 -1.24 -4.47 119.66 107.45 1com s GLN 44 Ca -0.13 -0.15 -0.10 0.00 -1.82 0.00 0.00 55.36 53.17 1com s GLN 44 Cb 0.14 0.07 0.03 0.00 -1.09 0.00 0.00 33.01 32.16 1com s GLN 44 CO 0.75 -0.11 0.30 1.41 -1.32 0.00 0.00 175.29 176.31 1com s MET 45 N -2.09 0.33 0.01 9.60 1.75 -0.48 -1.53 119.30 126.90 1com s MET 45 Ca 0.25 0.45 0.07 0.00 -1.25 0.00 0.00 55.69 55.21 1com s MET 45 Cb 0.02 0.12 -0.03 0.00 2.84 0.00 0.00 34.83 37.78 1com s MET 45 CO -0.03 -0.06 -0.20 -0.51 -0.65 0.00 0.00 175.02 173.56 1com s LEU 46 N 0.38 2.45 -0.08 4.11 1.43 0.04 -2.13 118.68 124.87 1com s LEU 46 Ca -0.02 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 1com s LEU 46 Cb -0.04 -1.45 0.02 0.00 0.03 0.00 0.00 46.19 44.76 1com s LEU 46 CO -0.02 0.28 -0.09 -0.76 0.23 0.00 0.00 176.35 176.00 1com s LEU 47 N -1.12 1.39 0.14 1.79 1.43 -0.24 -1.20 118.68 120.86 1com s LEU 47 Ca 0.13 -0.25 0.06 0.00 -1.03 0.00 0.00 54.13 53.03 1com s LEU 47 Cb -0.10 -0.74 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 1com s LEU 47 CO 0.03 -0.04 0.02 -0.94 0.23 0.00 0.00 176.35 175.64 1com s SER 48 N 1.09 4.95 0.02 2.29 1.04 0.27 -0.98 113.70 122.39 1com s SER 48 Ca -0.07 -0.28 0.01 0.00 0.48 0.00 0.00 55.95 56.09 1com s SER 48 Cb -0.14 -1.13 -0.01 0.00 0.10 0.00 0.00 66.02 64.83 1com s SER 48 CO -0.01 0.12 -0.05 0.00 0.98 0.00 0.00 173.24 174.27 1com s ALA 49 N -1.58 0.39 0.61 5.32 0.00 -0.83 -1.67 121.76 124.00 1com s ALA 49 Ca 0.27 -0.42 -0.15 0.00 0.00 0.00 0.00 51.96 51.66 1com s ALA 49 Cb -0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 1com s ALA 49 CO 0.19 0.02 1.06 0.95 0.00 0.00 0.00 175.76 177.98 1com s THR 50 N -0.69 3.79 -2.00 0.00 -4.23 -0.91 -0.92 115.64 110.68 1com s THR 50 Ca -0.04 0.82 0.01 0.00 -1.18 0.00 0.00 61.69 61.29 1com s THR 50 Cb -0.05 -3.36 0.02 0.00 1.34 0.00 0.00 72.50 70.44 1com s THR 50 CO -0.00 -0.53 0.31 -0.81 -0.54 0.00 0.00 174.62 173.05 1com n PRO 51 N -2.17 0.26 -0.30 3.99 -0.04 -1.26 -2.41 135.00 133.06 1com n PRO 51 Ca 0.09 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 1com n PRO 51 Cb 0.53 -1.04 0.28 0.00 -0.04 0.00 0.00 33.50 33.23 1com n PRO 51 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1com n ASP 52 N -0.54 3.79 -4.04 3.54 5.75 -1.26 -4.83 116.55 118.96 1com n ASP 52 Ca 0.00 -2.00 -0.31 0.00 -0.01 0.00 0.00 54.79 52.47 1com n ASP 52 Cb 0.00 -0.40 -0.16 0.00 -1.03 0.00 0.00 41.12 39.54 1com n ASP 52 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1com s LEU 53 N -1.20 2.36 0.00 -2.12 1.43 -1.01 -4.87 118.68 113.27 1com s LEU 53 Ca 0.45 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1com s LEU 53 Cb 0.25 -1.34 0.00 0.00 0.03 0.00 0.00 46.19 45.13 1com s LEU 53 CO 0.33 -0.11 0.28 1.41 0.23 0.00 0.00 176.35 178.49 1com n HIS 54 N 4.64 0.00 -0.03 0.29 8.25 -1.26 -4.91 115.22 122.20 1com n HIS 54 Ca -0.16 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.14 1com n HIS 54 Cb 0.47 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.53 1com n HIS 54 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1com h ALA 55 N 0.00 0.40 -2.53 -1.41 0.00 -1.89 -3.47 119.26 110.36 1com h ALA 55 Ca 0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 54.91 54.29 1com h ALA 55 Cb 0.14 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 17.73 1com h ALA 55 CO 0.00 0.69 0.14 0.54 0.00 0.00 0.00 179.25 180.62 1com s VAL 56 N -3.86 0.01 0.01 0.00 0.11 -1.26 -4.75 120.40 110.66 1com s VAL 56 Ca -0.10 -0.10 -0.30 0.00 -2.93 0.00 0.00 61.98 58.55 1com s VAL 56 Cb 0.09 -0.99 -0.05 0.00 -1.53 0.00 0.00 36.38 33.90 1com s VAL 56 CO 0.89 -0.05 1.24 -0.36 -3.33 0.00 0.00 175.10 173.49 1com s PHE 57 N -2.55 3.23 0.58 1.54 0.08 -1.26 -4.92 117.98 114.68 1com s PHE 57 Ca -0.05 1.17 0.32 0.00 0.12 0.00 0.00 56.93 58.49 1com s PHE 57 Cb -0.01 -3.48 1.87 0.00 -0.57 0.00 0.00 43.02 40.84 1com s PHE 57 CO -0.02 -1.56 2.25 -1.35 -0.10 0.00 0.00 175.22 174.44 1com h PRO 58 N 7.23 0.00 -0.49 0.24 0.11 -1.96 -2.08 132.00 135.05 1com h PRO 58 Ca -0.38 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.87 1com h PRO 58 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1com h PRO 58 CO 0.85 0.02 0.38 0.00 -0.21 0.00 0.00 178.00 179.04 1com h ALA 59 N 1.98 2.39 0.00 -0.75 0.00 -1.95 0.18 119.26 121.11 1com h ALA 59 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1com h ALA 59 Cb 0.05 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1com h ALA 59 CO 0.00 -0.63 0.00 -0.22 0.00 0.00 0.00 179.25 178.40 1com h LYS 60 N 0.00 0.00 0.00 0.00 3.64 -1.78 -1.84 116.57 116.59 1com h LYS 60 Ca 0.23 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.52 1com h LYS 60 Cb 0.99 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1com h LYS 60 CO -0.00 0.00 -0.46 0.00 -2.27 0.00 0.00 179.45 176.71 1com h ALA 61 N 2.09 0.81 0.00 5.00 0.00 -0.85 -2.98 119.26 123.34 1com h ALA 61 Ca 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1com h ALA 61 Cb 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1com h ALA 61 CO 0.00 0.58 -0.09 0.28 0.00 0.00 0.00 179.25 180.02 1com h VAL 62 N 0.00 0.86 0.00 0.00 2.07 -1.49 -0.81 116.25 116.88 1com h VAL 62 Ca -0.00 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1com h VAL 62 Cb 1.16 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1com h VAL 62 CO 0.06 0.09 -0.19 0.03 0.02 0.00 0.00 177.57 177.57 1com h ARG 63 N 0.00 0.00 0.00 1.57 3.08 -1.67 -2.45 114.38 114.91 1com h ARG 63 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1com h ARG 63 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1com h ARG 63 CO 0.01 0.19 0.00 -1.91 -1.07 0.00 0.00 179.97 177.19 1com n GLU 64 N -3.78 1.00 -3.92 0.04 2.13 -0.31 -4.73 120.64 111.07 1com n GLU 64 Ca -0.02 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.45 1com n GLU 64 Cb 0.30 -1.11 -0.14 0.00 0.27 0.00 0.00 31.44 30.76 1com n GLU 64 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1com s LEU 65 N -1.22 2.91 0.01 4.31 1.43 -0.92 -5.06 118.68 120.14 1com s LEU 65 Ca 0.11 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.52 1com s LEU 65 Cb 0.05 -1.74 -0.07 0.00 0.03 0.00 0.00 46.19 44.46 1com s LEU 65 CO 0.08 -0.01 1.64 -0.94 0.23 0.00 0.00 176.35 177.35 1com s SER 66 N 1.45 6.65 0.00 2.29 1.04 -1.26 -1.27 113.70 122.59 1com s SER 66 Ca 0.05 2.36 0.00 0.00 0.48 0.00 0.00 55.95 58.84 1com s SER 66 Cb -0.14 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1com s SER 66 CO -0.03 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.91 1com n GLY 67 N 4.04 0.63 0.92 7.32 0.00 -1.26 -4.96 105.19 111.88 1com n GLY 67 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1com n GLY 67 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1com n TRP 68 N -1.18 0.16 0.25 1.61 7.02 -0.40 -4.42 117.44 120.48 1com n TRP 68 Ca 0.00 -0.08 0.16 0.00 -1.02 0.00 0.00 57.50 56.56 1com n TRP 68 Cb 0.00 0.00 0.87 0.00 -2.42 0.00 0.00 31.31 29.76 1com n TRP 68 CO 0.00 0.00 0.00 -0.56 -2.02 0.00 0.00 177.69 175.11 1com h GLN 69 N 4.13 0.00 -0.17 -0.99 -0.00 -1.84 -1.42 115.11 114.81 1com h GLN 69 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1com h GLN 69 Cb 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.37 1com h GLN 69 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 178.83 179.49 1com n TYR 70 N -2.65 0.21 -2.49 0.06 4.01 -1.26 -4.95 117.16 110.09 1com n TYR 70 Ca -0.02 -0.15 -0.42 0.00 -0.16 0.00 0.00 57.90 57.15 1com n TYR 70 Cb 0.10 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 1com n TYR 70 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1com s VAL 71 N -1.31 4.27 -0.08 -0.72 1.01 -0.54 -4.97 120.40 118.06 1com s VAL 71 Ca 0.25 1.61 -0.30 0.00 0.00 0.00 0.00 61.98 63.54 1com s VAL 71 Cb 0.16 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1com s VAL 71 CO 0.22 0.07 1.17 -2.16 0.00 0.00 0.00 175.10 174.40 1com s PRO 72 N 1.53 4.35 0.03 2.72 0.04 -1.26 -4.94 135.00 137.47 1com s PRO 72 Ca 0.56 1.61 0.03 0.00 0.04 0.00 0.00 61.00 63.25 1com s PRO 72 Cb -0.26 -3.58 -0.02 0.00 0.04 0.00 0.00 34.50 30.68 1com s PRO 72 CO 0.26 -0.46 -0.10 0.14 0.04 0.00 0.00 177.00 176.88 1com s VAL 73 N 2.34 0.79 -0.01 -0.36 -7.23 -1.26 -1.38 120.40 113.30 1com s VAL 73 Ca 0.54 -0.91 -0.17 0.00 -1.81 0.00 0.00 61.98 59.64 1com s VAL 73 Cb -0.23 -0.75 0.03 0.00 0.56 0.00 0.00 36.38 35.99 1com s VAL 73 CO 0.20 -0.12 0.36 0.28 -0.31 0.00 0.00 175.10 175.50 1com s THR 74 N -0.93 0.05 0.40 5.32 -1.32 -0.91 -4.98 115.64 113.28 1com s THR 74 Ca -0.03 -0.45 0.05 0.00 -1.21 0.00 0.00 61.69 60.05 1com s THR 74 Cb -0.08 -0.73 -0.00 0.00 -1.51 0.00 0.00 72.50 70.19 1com s THR 74 CO 0.01 -0.25 0.57 0.00 -2.21 0.00 0.00 174.62 172.74 1com s MET 76 N -4.36 1.28 -0.16 0.00 0.23 -0.15 -4.88 119.30 111.26 1com s MET 76 Ca 0.49 -0.63 -0.13 0.00 -1.03 0.00 0.00 55.69 54.39 1com s MET 76 Cb -0.10 0.55 -0.05 0.00 -1.53 0.00 0.00 34.83 33.70 1com s MET 76 CO 0.34 -0.55 0.27 -1.14 -2.03 0.00 0.00 175.02 171.91 1com s GLN 77 N -3.80 4.19 0.47 3.16 0.74 -1.26 -1.97 119.66 121.19 1com s GLN 77 Ca 0.04 0.05 -0.22 0.00 0.05 0.00 0.00 55.36 55.28 1com s GLN 77 Cb -0.01 -3.40 -0.08 0.00 1.10 0.00 0.00 33.01 30.63 1com s GLN 77 CO -0.10 0.30 1.12 -2.00 -0.55 0.00 0.00 175.29 174.06 1com s GLU 78 N 0.30 3.76 0.38 1.67 2.56 -0.10 -4.87 118.70 122.40 1com s GLU 78 Ca 0.15 1.63 -0.26 0.00 0.00 0.00 0.00 54.97 56.49 1com s GLU 78 Cb -0.13 -2.30 -0.09 0.00 2.00 0.00 0.00 34.13 33.61 1com s GLU 78 CO 0.03 -0.52 1.18 0.00 -0.56 0.00 0.00 175.26 175.40 1com s MET 79 N -2.86 4.14 -0.38 4.30 0.23 -1.26 -4.34 119.30 119.12 1com s MET 79 Ca 0.65 1.89 -0.26 0.00 -1.03 0.00 0.00 55.69 56.94 1com s MET 79 Cb -0.24 -2.77 0.02 0.00 -1.53 0.00 0.00 34.83 30.30 1com s MET 79 CO 0.29 -0.26 0.91 0.34 -2.03 0.00 0.00 175.02 174.28 1com s ASP 80 N -1.02 6.64 -0.09 -1.18 -1.08 -1.26 -4.90 116.67 113.77 1com s ASP 80 Ca 0.55 0.49 0.01 0.00 -0.52 0.00 0.00 52.55 53.08 1com s ASP 80 Cb -0.32 -2.46 -0.02 0.00 -1.46 0.00 0.00 42.92 38.66 1com s ASP 80 CO 0.41 -0.88 -0.12 -0.69 0.52 0.00 0.00 175.17 174.41 1com s VAL 81 N 3.49 3.24 -0.16 1.11 1.01 -1.26 -5.06 120.40 122.77 1com s VAL 81 Ca 0.37 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.44 1com s VAL 81 Cb -0.12 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1com s VAL 81 CO 0.20 0.56 1.70 -0.89 0.00 0.00 0.00 175.10 176.67 1com s THR 82 N -0.20 3.56 0.00 3.92 2.01 -1.26 -0.75 115.64 122.91 1com s THR 82 Ca 0.01 0.65 0.00 0.00 0.31 0.00 0.00 61.69 62.66 1com s THR 82 Cb -0.13 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 68.84 1com s THR 82 CO 0.03 -0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.38 1com n GLY 83 N 4.61 1.96 3.64 4.40 0.00 -1.26 -5.05 105.19 113.49 1com n GLY 83 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1com n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1com n GLY 84 N -2.00 -0.06 3.75 -0.02 0.00 0.07 -4.88 105.19 102.05 1com n GLY 84 Ca 0.00 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1com n GLY 84 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1com s LEU 85 N -2.04 4.35 0.29 0.99 2.96 -1.26 -4.95 118.68 119.02 1com s LEU 85 Ca 0.72 2.93 -0.01 0.00 -0.22 0.00 0.00 54.13 57.56 1com s LEU 85 Cb -0.44 -3.64 -0.04 0.00 0.50 0.00 0.00 46.19 42.57 1com s LEU 85 CO 0.49 -0.89 0.50 -0.54 -1.32 0.00 0.00 176.35 174.60 1com s LYS 86 N -0.64 3.53 -1.25 1.98 -0.14 -1.26 -4.35 119.74 117.61 1com s LYS 86 Ca 0.62 -0.27 -0.01 0.00 -1.36 0.00 0.00 55.97 54.94 1com s LYS 86 Cb -0.47 -2.71 -0.01 0.00 -1.68 0.00 0.00 37.83 32.96 1com s LYS 86 CO 0.49 0.24 0.81 1.63 -0.76 0.00 0.00 175.35 177.75 1com n LYS 87 N -1.29 -5.04 -5.07 1.68 5.02 -1.26 -4.76 118.16 107.44 1com n LYS 87 Ca -0.04 0.70 -0.32 0.00 -2.02 0.00 0.00 58.31 56.62 1com n LYS 87 Cb 0.55 -5.38 -0.16 0.00 -0.02 0.00 0.00 35.03 30.02 1com n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1com s ILE 89 N 0.33 3.46 0.09 0.00 1.01 -0.39 -2.14 121.20 123.57 1com s ILE 89 Ca -0.16 -0.59 0.06 0.00 0.00 0.00 0.00 60.65 59.96 1com s ILE 89 Cb -0.17 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 1com s ILE 89 CO 0.08 0.32 -0.06 -0.13 0.00 0.00 0.00 174.94 175.15 1com s ARG 90 N 1.47 2.33 0.04 2.79 0.52 -0.67 -0.83 118.95 124.59 1com s ARG 90 Ca 0.04 -0.92 0.05 0.00 -0.52 0.00 0.00 55.73 54.38 1com s ARG 90 Cb -0.15 -2.41 -0.02 0.00 0.52 0.00 0.00 34.95 32.88 1com s ARG 90 CO -0.02 0.53 -0.14 0.54 0.02 0.00 0.00 175.30 176.23 1com s VAL 91 N -1.23 1.10 -0.28 3.52 0.11 -0.61 -0.56 120.40 122.46 1com s VAL 91 Ca 0.23 -1.01 0.00 0.00 -2.93 0.00 0.00 61.98 58.27 1com s VAL 91 Cb -0.11 -1.01 0.08 0.00 -1.53 0.00 0.00 36.38 33.81 1com s VAL 91 CO 0.15 -0.01 0.03 -0.32 -3.33 0.00 0.00 175.10 171.63 1com s MET 92 N -1.16 1.14 -0.38 1.54 1.75 -0.34 -2.28 119.30 119.56 1com s MET 92 Ca 0.01 -1.13 -0.14 0.00 -1.25 0.00 0.00 55.69 53.18 1com s MET 92 Cb -0.08 -2.43 0.00 0.00 2.84 0.00 0.00 34.83 35.17 1com s MET 92 CO 0.01 -0.82 0.29 1.41 -0.65 0.00 0.00 175.02 175.27 1com s MET 93 N 1.43 3.20 -0.17 4.11 1.75 -0.04 -0.78 119.30 128.80 1com s MET 93 Ca 0.04 -0.83 -0.21 0.00 -1.25 0.00 0.00 55.69 53.43 1com s MET 93 Cb -0.18 -3.91 -0.03 0.00 2.84 0.00 0.00 34.83 33.56 1com s MET 93 CO -0.14 -0.63 0.65 0.99 -0.65 0.00 0.00 175.02 175.23 1com s THR 94 N 1.75 5.02 0.18 10.11 2.01 -0.58 -0.83 115.64 133.30 1com s THR 94 Ca 0.06 1.25 0.05 0.00 0.31 0.00 0.00 61.69 63.36 1com s THR 94 Cb -0.18 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 1com s THR 94 CO 0.11 0.13 -0.09 0.68 -0.69 0.00 0.00 174.62 174.76 1com s VAL 95 N 1.72 1.28 -0.05 3.82 -7.23 -0.56 -0.47 120.40 118.92 1com s VAL 95 Ca 0.31 -2.09 -0.21 0.00 -1.81 0.00 0.00 61.98 58.18 1com s VAL 95 Cb -0.16 -2.01 -0.05 0.00 0.56 0.00 0.00 36.38 34.73 1com s VAL 95 CO 0.11 -0.62 0.60 -1.58 -0.31 0.00 0.00 175.10 173.31 1com s GLN 96 N -3.75 4.36 0.04 4.82 0.74 0.43 -0.91 119.66 125.39 1com s GLN 96 Ca 0.21 0.72 -0.28 0.00 0.05 0.00 0.00 55.36 56.06 1com s GLN 96 Cb 0.02 -3.39 0.09 0.00 1.10 0.00 0.00 33.01 30.83 1com s GLN 96 CO 0.04 0.23 0.88 -0.08 -0.55 0.00 0.00 175.29 175.82 1com s THR 97 N 0.27 0.00 -0.07 -0.34 -1.32 0.23 -4.93 115.64 109.49 1com s THR 97 Ca 0.32 -0.13 0.14 0.00 -1.21 0.00 0.00 61.69 60.81 1com s THR 97 Cb -0.17 -1.19 -0.21 0.00 -1.51 0.00 0.00 72.50 69.42 1com s THR 97 CO 0.16 0.00 0.22 -0.67 -2.21 0.00 0.00 174.62 172.12 1com n ASP 98 N -0.30 1.55 -4.72 8.08 2.03 -1.26 -0.50 116.55 121.43 1com n ASP 98 Ca -0.09 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.80 1com n ASP 98 Cb 0.62 1.37 -0.02 0.00 -0.72 0.00 0.00 41.12 42.37 1com n ASP 98 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1com n VAL 99 N -2.21 0.86 -1.90 5.18 0.31 -1.26 -4.95 118.33 114.35 1com n VAL 99 Ca -0.10 -0.21 -0.39 0.00 -0.01 0.00 0.00 64.34 63.63 1com n VAL 99 Cb 0.61 -1.81 0.02 0.00 -0.91 0.00 0.00 33.84 31.74 1com n VAL 99 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1com s PRO 100 N -0.25 3.44 0.39 5.55 0.04 -1.26 -4.84 135.00 138.06 1com s PRO 100 Ca 0.67 2.18 0.29 0.00 0.04 0.00 0.00 61.00 64.17 1com s PRO 100 Cb -0.55 -2.41 1.31 0.00 0.04 0.00 0.00 34.50 32.89 1com s PRO 100 CO 0.47 -0.93 1.36 0.94 0.04 0.00 0.00 177.00 178.87 1com n GLN 101 N -0.65 -0.03 0.00 4.56 7.27 -1.26 0.26 117.38 127.53 1com n GLN 101 Ca 0.08 1.08 0.14 0.00 0.07 0.00 0.00 57.00 58.37 1com n GLN 101 Cb 0.45 -2.15 0.54 0.00 2.41 0.00 0.00 30.24 31.49 1com n GLN 101 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1com n ASP 102 N -4.41 0.95 -0.21 1.69 5.68 -1.26 -3.35 116.55 115.65 1com n ASP 102 Ca 0.35 -1.03 0.05 0.00 -0.50 0.00 0.00 54.79 53.66 1com n ASP 102 Cb 1.38 0.02 -0.01 0.00 -1.14 0.00 0.00 41.12 41.37 1com n ASP 102 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1com n GLN 103 N -0.47 2.29 -1.68 0.11 6.02 0.14 -4.98 117.38 118.80 1com n GLN 103 Ca 0.16 -0.52 -0.43 0.00 -0.01 0.00 0.00 57.00 56.20 1com n GLN 103 Cb 0.31 -1.10 -0.03 0.00 1.02 0.00 0.00 30.24 30.44 1com n GLN 103 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1com n ILE 104 N -0.42 0.43 -3.14 5.09 2.08 -1.09 -4.95 119.36 117.36 1com n ILE 104 Ca 0.04 -0.08 -0.41 0.00 0.56 0.00 0.00 62.75 62.87 1com n ILE 104 Cb 0.22 -2.10 -0.07 0.00 -0.75 0.00 0.00 39.64 36.94 1com n ILE 104 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1com s ARG 105 N 3.03 3.94 0.07 0.38 1.81 -1.26 -5.04 118.95 121.87 1com s ARG 105 Ca 0.84 0.31 -0.01 0.00 -1.72 0.00 0.00 55.73 55.15 1com s ARG 105 Cb -0.50 -3.71 -0.04 0.00 -0.45 0.00 0.00 34.95 30.24 1com s ARG 105 CO 0.39 -0.52 0.24 -1.01 -0.68 0.00 0.00 175.30 173.72 1com s HIS 106 N 2.54 3.51 -0.08 -0.53 3.76 -1.26 -4.81 115.29 118.43 1com s HIS 106 Ca 0.24 0.30 0.04 0.00 -0.15 0.00 0.00 55.06 55.49 1com s HIS 106 Cb -0.15 -1.80 0.00 0.00 1.11 0.00 0.00 32.58 31.74 1com s HIS 106 CO 0.11 0.56 -0.20 0.08 -0.85 0.00 0.00 174.74 174.44 1com s VAL 107 N -1.54 1.72 -0.12 -0.90 1.01 -0.72 -5.00 120.40 114.86 1com s VAL 107 Ca 0.36 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 1com s VAL 107 Cb -0.13 -1.50 0.04 0.00 0.00 0.00 0.00 36.38 34.79 1com s VAL 107 CO 0.27 0.49 0.00 -0.31 0.00 0.00 0.00 175.10 175.55 1com s TYR 108 N 0.30 0.90 0.35 5.22 1.51 -1.26 -1.31 117.35 123.06 1com s TYR 108 Ca -0.13 -0.47 0.09 0.00 -1.01 0.00 0.00 57.07 55.55 1com s TYR 108 Cb -0.16 -0.93 -0.05 0.00 -0.11 0.00 0.00 41.96 40.70 1com s TYR 108 CO 0.06 -0.44 0.04 -0.51 -1.11 0.00 0.00 175.55 173.59 1com s LEU 109 N 1.90 3.02 0.00 -1.29 1.43 0.92 -4.21 118.68 120.45 1com s LEU 109 Ca 0.03 -1.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.13 1com s LEU 109 Cb -0.14 -1.37 0.00 0.00 0.03 0.00 0.00 46.19 44.71 1com s LEU 109 CO -0.06 -0.29 0.00 -0.62 0.23 0.00 0.00 176.35 175.61 1com n GLU 110 N -1.00 0.00 0.00 1.70 -0.58 -1.26 -1.03 120.64 118.47 1com n GLU 110 Ca -0.04 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.83 1com n GLU 110 Cb 0.63 0.00 0.60 0.00 -0.57 0.00 0.00 31.44 32.10 1com n GLU 110 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1com n LYS 111 N 14.00 0.20 0.00 3.49 5.02 -1.26 -2.71 118.16 136.89 1com n LYS 111 Ca 0.00 0.05 0.11 0.00 -2.02 0.00 0.00 58.31 56.45 1com n LYS 111 Cb 0.00 -1.50 0.56 0.00 -0.02 0.00 0.00 35.03 34.07 1com n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1com n ALA 112 N -1.39 2.16 -0.02 7.82 0.00 -0.20 -2.83 120.51 126.05 1com n ALA 112 Ca 0.09 -0.10 0.24 0.00 0.00 0.00 0.00 53.44 53.67 1com n ALA 112 Cb 0.25 -1.38 0.70 0.00 0.00 0.00 0.00 19.45 19.02 1com n ALA 112 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1com h VAL 113 N 0.00 0.34 0.00 0.00 -1.51 -1.60 -0.45 116.25 113.03 1com h VAL 113 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1com h VAL 113 Cb 0.27 0.52 0.00 0.00 -2.13 0.00 0.00 31.29 29.95 1com h VAL 113 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 177.57 176.89 1com n VAL 114 N -3.74 0.00 0.71 7.19 3.14 -1.13 -5.04 118.33 119.45 1com n VAL 114 Ca 0.12 0.00 0.08 0.00 -2.96 0.00 0.00 64.34 61.59 1com n VAL 114 Cb 0.84 -0.51 0.07 0.00 -1.06 0.00 0.00 33.84 33.19 1com n VAL 114 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55