#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 2.23 0.09 1.12 -4.36 -1.26 -1.55 121.20 117.47 1com s ILE 3 Ca 0.00 -1.03 0.05 0.00 -0.26 0.00 0.00 60.65 59.41 1com s ILE 3 Cb 0.00 -1.80 -0.03 0.00 1.25 0.00 0.00 42.46 41.88 1com s ILE 3 CO 0.00 0.58 -0.13 -0.13 0.24 0.00 0.00 174.94 175.50 1com s ARG 4 N -0.51 0.86 0.26 0.37 0.52 0.60 -4.90 118.95 116.15 1com s ARG 4 Ca 0.07 -1.04 -0.05 0.00 -0.52 0.00 0.00 55.73 54.18 1com s ARG 4 Cb -0.11 -0.79 -0.05 0.00 0.52 0.00 0.00 34.95 34.52 1com s ARG 4 CO 0.00 0.16 0.53 0.20 0.02 0.00 0.00 175.30 176.22 1com s GLY 5 N -2.00 1.95 -0.01 -3.53 0.00 -1.26 -0.22 107.32 102.25 1com s GLY 5 Ca 0.01 -0.53 0.04 0.00 0.00 0.00 0.00 44.72 44.25 1com s GLY 5 CO 0.02 -0.42 -0.13 -0.42 0.00 0.00 0.00 173.10 172.15 1com s ILE 6 N -1.99 1.05 -0.04 0.90 1.01 0.30 -4.92 121.20 117.51 1com s ILE 6 Ca 0.44 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.56 1com s ILE 6 Cb -0.11 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 1com s ILE 6 CO 0.28 0.30 -0.10 -0.13 0.00 0.00 0.00 174.94 175.29 1com s ARG 7 N -0.24 2.59 0.06 2.79 1.81 -1.26 -0.09 118.95 124.61 1com s ARG 7 Ca 0.04 -0.66 -0.04 0.00 -1.72 0.00 0.00 55.73 53.34 1com s ARG 7 Cb -0.06 -2.48 -0.02 0.00 -0.45 0.00 0.00 34.95 31.94 1com s ARG 7 CO -0.00 0.63 0.06 0.20 -0.68 0.00 0.00 175.30 175.51 1com s GLY 8 N -0.98 0.28 -0.05 -3.53 0.00 -0.80 -1.37 107.32 100.86 1com s GLY 8 Ca 0.13 -0.86 -0.19 0.00 0.00 0.00 0.00 44.72 43.80 1com s GLY 8 CO 0.03 -1.00 0.43 0.00 0.00 0.00 0.00 173.10 172.56 1com s ALA 9 N -3.51 -1.11 0.16 3.20 0.00 0.31 -0.94 121.76 119.87 1com s ALA 9 Ca 0.03 0.74 -0.19 0.00 0.00 0.00 0.00 51.96 52.55 1com s ALA 9 Cb 0.04 -0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.14 1com s ALA 9 CO -0.09 -0.28 0.50 -0.08 0.00 0.00 0.00 175.76 175.81 1com s THR 10 N -1.05 0.04 0.10 0.00 -1.32 -0.11 -0.39 115.64 112.89 1com s THR 10 Ca -0.11 -0.47 0.10 0.00 -1.21 0.00 0.00 61.69 60.00 1com s THR 10 Cb -0.04 -1.25 -0.04 0.00 -1.51 0.00 0.00 72.50 69.67 1com s THR 10 CO 0.05 -0.16 -0.26 0.42 -2.21 0.00 0.00 174.62 172.46 1com s THR 11 N -3.81 2.14 0.17 5.08 -4.23 -1.25 -1.10 115.64 112.64 1com s THR 11 Ca 0.04 -1.60 0.04 0.00 -1.18 0.00 0.00 61.69 58.99 1com s THR 11 Cb 0.00 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.93 1com s THR 11 CO -0.09 0.16 0.21 0.68 -0.54 0.00 0.00 174.62 175.03 1com s VAL 12 N -0.98 4.81 0.02 2.29 -7.23 -0.69 -4.79 120.40 113.83 1com s VAL 12 Ca 0.12 -0.98 -0.02 0.00 -1.81 0.00 0.00 61.98 59.29 1com s VAL 12 Cb -0.10 -3.49 -0.27 0.00 0.56 0.00 0.00 36.38 33.08 1com s VAL 12 CO 0.04 -0.14 0.92 -0.33 -0.31 0.00 0.00 175.10 175.28 1com h GLU 13 N 2.15 0.23 -4.05 4.82 4.39 -1.94 -3.45 114.58 116.72 1com h GLU 13 Ca -0.48 -0.40 -0.16 0.00 0.34 0.00 0.00 59.36 58.67 1com h GLU 13 Cb 1.20 0.15 -0.19 0.00 -0.10 0.00 0.00 28.75 29.81 1com h GLU 13 CO 0.65 1.10 -0.69 1.03 -1.16 0.00 0.00 179.01 179.94 1com s ARG 14 N -2.63 0.40 -1.30 2.33 0.52 -1.26 -5.06 118.95 111.95 1com s ARG 14 Ca -0.07 -0.78 -0.18 0.00 -0.52 0.00 0.00 55.73 54.17 1com s ARG 14 Cb 0.07 0.14 0.05 0.00 0.52 0.00 0.00 34.95 35.73 1com s ARG 14 CO 0.86 -0.07 1.79 -3.47 0.02 0.00 0.00 175.30 174.43 1com n ASP 15 N 1.17 4.68 -4.23 0.23 2.03 -1.26 -4.69 116.55 114.48 1com n ASP 15 Ca -0.21 -2.89 -0.24 0.00 0.52 0.00 0.00 54.79 51.97 1com n ASP 15 Cb 0.57 -1.74 -0.14 0.00 -0.72 0.00 0.00 41.12 39.09 1com n ASP 15 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1com s THR 16 N 4.78 1.53 0.29 5.18 -1.32 -1.26 -4.62 115.64 120.23 1com s THR 16 Ca 0.55 -1.19 0.02 0.00 -1.21 0.00 0.00 61.69 59.86 1com s THR 16 Cb 0.04 -1.35 0.29 0.00 -1.51 0.00 0.00 72.50 69.97 1com s THR 16 CO 0.07 0.12 1.84 -0.08 -2.21 0.00 0.00 174.62 174.37 1com h GLU 17 N 4.79 0.93 -0.32 7.08 4.81 -1.91 -1.05 114.58 128.90 1com h GLU 17 Ca -0.42 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 58.68 1com h GLU 17 Cb 1.17 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1com h GLU 17 CO 0.43 0.61 -0.09 1.49 -0.73 0.00 0.00 179.01 180.73 1com h GLU 18 N 0.96 0.63 0.04 1.92 4.81 -1.96 -1.98 114.58 118.99 1com h GLU 18 Ca 0.49 -0.25 -0.23 0.00 -0.13 0.00 0.00 59.36 59.25 1com h GLU 18 Cb 0.52 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1com h GLU 18 CO -0.26 0.82 -1.02 1.49 -0.73 0.00 0.00 179.01 179.30 1com h GLU 19 N 0.40 0.19 0.51 1.92 4.81 -1.75 -1.42 114.58 119.25 1com h GLU 19 Ca 0.08 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 1com h GLU 19 Cb 0.59 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1com h GLU 19 CO 0.03 1.06 -0.24 0.82 -0.73 0.00 0.00 179.01 179.95 1com h ILE 20 N 0.08 0.47 -0.53 2.32 2.04 -1.24 -0.53 117.51 120.13 1com h ILE 20 Ca -0.07 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1com h ILE 20 Cb 1.71 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 1com h ILE 20 CO 0.16 0.03 0.30 -0.07 0.00 0.00 0.00 178.15 178.57 1com h LEU 21 N -0.80 0.65 -0.45 1.44 3.38 -1.36 -0.50 115.31 117.67 1com h LEU 21 Ca -0.07 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1com h LEU 21 Cb 0.58 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1com h LEU 21 CO 0.11 0.54 0.07 -0.61 0.09 0.00 0.00 178.44 178.64 1com h GLN 22 N 0.70 0.75 -0.04 1.13 4.15 -1.23 -0.83 115.11 119.73 1com h GLN 22 Ca 0.19 -0.20 -0.18 0.00 0.77 0.00 0.00 58.65 59.22 1com h GLN 22 Cb 0.02 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1com h GLN 22 CO -0.03 0.77 -0.76 0.87 -1.93 0.00 0.00 178.83 177.75 1com h LYS 23 N 0.61 0.30 -0.44 1.69 1.79 -0.87 -1.23 116.57 118.42 1com h LYS 23 Ca 0.14 -0.26 -0.04 0.00 -2.18 0.00 0.00 60.65 58.31 1com h LYS 23 Cb 0.39 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.08 1com h LYS 23 CO 0.01 0.93 0.14 1.15 -1.08 0.00 0.00 179.45 180.59 1com h THR 24 N 0.19 1.22 -0.38 -0.16 2.02 -1.05 -1.90 112.91 112.85 1com h THR 24 Ca -0.03 -0.74 0.04 0.00 0.77 0.00 0.00 66.41 66.44 1com h THR 24 Cb 1.34 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 68.58 1com h THR 24 CO 0.12 0.27 0.16 0.50 0.37 0.00 0.00 175.52 176.94 1com h LYS 25 N 0.58 0.33 -0.50 6.66 3.64 -0.98 -1.57 116.57 124.72 1com h LYS 25 Ca 0.14 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1com h LYS 25 Cb 0.27 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1com h LYS 25 CO -0.00 0.22 0.16 1.96 -2.27 0.00 0.00 179.45 179.52 1com h GLN 26 N 0.34 0.74 0.27 1.90 4.20 -1.14 0.68 115.11 122.10 1com h GLN 26 Ca 0.17 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1com h GLN 26 Cb 0.11 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1com h GLN 26 CO -0.14 0.64 -0.13 1.25 -0.67 0.00 0.00 178.83 179.78 1com h LEU 27 N 0.72 -0.31 -0.73 1.46 5.85 -0.49 -2.79 115.31 119.02 1com h LEU 27 Ca 0.17 -0.19 0.11 0.00 0.84 0.00 0.00 57.88 58.81 1com h LEU 27 Cb 0.20 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 1com h LEU 27 CO -0.01 0.04 0.33 -0.07 -0.34 0.00 0.00 178.44 178.40 1com h LEU 28 N -0.70 0.38 -1.70 2.25 3.38 -1.16 -0.60 115.31 117.15 1com h LEU 28 Ca -0.04 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1com h LEU 28 Cb 0.48 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1com h LEU 28 CO 0.06 0.20 0.11 -0.33 0.09 0.00 0.00 178.44 178.57 1com h GLU 29 N 0.53 0.31 0.10 1.13 5.08 -0.83 -1.44 114.58 119.46 1com h GLU 29 Ca 0.38 -0.03 -0.26 0.00 -1.00 0.00 0.00 59.36 58.45 1com h GLU 29 Cb 0.48 -0.07 0.03 0.00 0.50 0.00 0.00 28.75 29.69 1com h GLU 29 CO -0.32 0.24 -1.09 -0.22 -1.00 0.00 0.00 179.01 176.62 1com h LYS 30 N 0.31 0.56 -0.33 2.33 1.63 -0.89 -2.02 116.57 118.17 1com h LYS 30 Ca 0.08 -0.74 0.03 0.00 -0.85 0.00 0.00 60.65 59.17 1com h LYS 30 Cb 0.03 0.24 -0.03 0.00 -0.60 0.00 0.00 32.23 31.87 1com h LYS 30 CO -0.01 1.32 0.15 0.82 -3.45 0.00 0.00 179.45 178.28 1com h ILE 31 N 0.15 0.97 -0.54 2.00 2.04 -0.57 0.24 117.51 121.79 1com h ILE 31 Ca -0.16 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.62 1com h ILE 31 Cb 1.78 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 38.44 1com h ILE 31 CO 0.21 0.06 0.31 0.40 0.00 0.00 0.00 178.15 179.13 1com h ILE 32 N 0.32 1.02 -0.05 -0.67 2.04 -1.30 0.61 117.51 119.50 1com h ILE 32 Ca 0.14 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1com h ILE 32 Cb 0.06 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1com h ILE 32 CO -0.10 0.11 0.02 -0.08 0.00 0.00 0.00 178.15 178.09 1com h GLU 33 N 0.61 0.07 -0.33 2.37 4.81 -0.84 0.49 114.58 121.75 1com h GLU 33 Ca 0.23 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1com h GLU 33 Cb 0.07 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1com h GLU 33 CO -0.12 0.23 -0.22 0.93 -0.73 0.00 0.00 179.01 179.10 1com h GLU 34 N -0.11 0.64 -0.26 1.92 4.39 -0.66 -3.21 114.58 117.29 1com h GLU 34 Ca 0.01 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.47 1com h GLU 34 Cb 0.19 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1com h GLU 34 CO -0.00 0.81 0.00 0.09 -1.16 0.00 0.00 179.01 178.75 1com n ASN 35 N -4.12 2.82 -3.01 1.42 3.02 0.18 -4.85 115.26 110.71 1com n ASN 35 Ca 0.00 -1.83 -0.23 0.00 -0.03 0.00 0.00 54.58 52.49 1com n ASN 35 Cb 0.41 -0.17 0.03 0.00 -0.61 0.00 0.00 39.78 39.45 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 0.90 -1.96 -2.44 3.10 8.25 0.16 -4.92 115.22 118.31 1com n HIS 36 Ca 0.13 0.52 -0.42 0.00 -0.26 0.00 0.00 57.72 57.68 1com n HIS 36 Cb 0.45 -4.50 -0.03 0.00 1.12 0.00 0.00 29.99 27.02 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 -3.18 4.08 -0.07 1.59 2.01 -0.42 -5.01 115.64 114.63 1com s THR 37 Ca 0.30 1.50 0.00 0.00 0.31 0.00 0.00 61.69 63.80 1com s THR 37 Cb -0.13 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 1com s THR 37 CO 0.37 0.12 -0.05 -0.54 -0.69 0.00 0.00 174.62 173.83 1com s LYS 38 N 1.05 2.82 0.34 4.92 -0.14 -1.26 -4.90 119.74 122.57 1com s LYS 38 Ca 0.58 -0.51 0.14 0.00 -1.36 0.00 0.00 55.97 54.82 1com s LYS 38 Cb -0.29 -2.64 1.06 0.00 -1.68 0.00 0.00 37.83 34.27 1com s LYS 38 CO 0.29 0.66 1.68 -1.00 -0.76 0.00 0.00 175.35 176.23 1com h PRO 39 N 5.26 0.37 0.00 -1.68 0.13 -1.95 -2.10 132.00 132.04 1com h PRO 39 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1com h PRO 39 Cb 1.18 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1com h PRO 39 CO 0.53 0.24 0.00 -0.85 -0.23 0.00 0.00 178.00 177.69 1com n GLU 40 N -4.98 0.02 0.00 0.86 0.00 -1.26 -1.41 120.64 113.87 1com n GLU 40 Ca 0.31 0.27 0.13 0.00 0.00 0.00 0.00 57.16 57.86 1com n GLU 40 Cb 0.94 -1.54 0.39 0.00 0.00 0.00 0.00 31.44 31.24 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 -1.57 0.81 -4.65 -1.84 8.00 -0.79 -4.86 116.55 111.65 1com n ASP 41 Ca 0.03 -0.68 -0.40 0.00 0.71 0.00 0.00 54.79 54.45 1com n ASP 41 Cb 0.17 0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 41.32 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 -2.61 5.05 -0.04 2.53 1.01 -0.50 -0.67 120.40 125.17 1com s VAL 42 Ca 0.22 1.07 -0.26 0.00 0.00 0.00 0.00 61.98 63.02 1com s VAL 42 Cb 0.19 -3.90 -0.20 0.00 0.00 0.00 0.00 36.38 32.47 1com s VAL 42 CO 0.55 0.12 1.15 0.58 0.00 0.00 0.00 175.10 177.50 1com h VAL 43 N 5.22 1.35 -2.48 2.92 2.07 -0.97 -3.46 116.25 120.90 1com h VAL 43 Ca -0.31 -1.27 0.20 0.00 0.82 0.00 0.00 66.70 66.14 1com h VAL 43 Cb 1.14 2.18 -0.04 0.00 -1.52 0.00 0.00 31.29 33.06 1com h VAL 43 CO 0.76 0.32 0.66 0.00 0.02 0.00 0.00 177.57 179.33 1com n GLN 44 N -4.84 0.55 -3.70 1.57 10.64 -1.22 -4.60 117.38 115.78 1com n GLN 44 Ca -0.09 -1.34 -0.13 0.00 -1.83 0.00 0.00 57.00 53.62 1com n GLN 44 Cb 0.28 1.86 -0.09 0.00 -0.86 0.00 0.00 30.24 31.43 1com n GLN 44 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 1com s MET 45 N -2.04 0.58 -0.05 2.61 1.75 -0.66 -1.51 119.30 119.97 1com s MET 45 Ca 0.25 0.72 0.05 0.00 -1.25 0.00 0.00 55.69 55.45 1com s MET 45 Cb -0.02 0.26 -0.00 0.00 2.84 0.00 0.00 34.83 37.91 1com s MET 45 CO 0.04 -0.08 -0.20 -0.51 -0.65 0.00 0.00 175.02 173.63 1com s LEU 46 N 0.37 1.95 -0.06 4.11 1.43 -0.17 -2.34 118.68 123.97 1com s LEU 46 Ca -0.01 -0.41 0.06 0.00 -1.03 0.00 0.00 54.13 52.74 1com s LEU 46 Cb -0.04 -1.11 -0.01 0.00 0.03 0.00 0.00 46.19 45.06 1com s LEU 46 CO -0.01 0.17 -0.24 -0.76 0.23 0.00 0.00 176.35 175.74 1com s LEU 47 N 0.06 2.05 0.16 1.79 1.02 -0.47 -0.70 118.68 122.59 1com s LEU 47 Ca -0.06 -0.49 0.10 0.00 0.02 0.00 0.00 54.13 53.70 1com s LEU 47 Cb -0.13 -1.32 -0.04 0.00 0.02 0.00 0.00 46.19 44.72 1com s LEU 47 CO 0.03 0.23 -0.23 -0.94 0.02 0.00 0.00 176.35 175.47 1com s SER 48 N -0.14 3.13 0.03 2.29 1.04 -0.49 -0.99 113.70 118.56 1com s SER 48 Ca -0.04 -0.82 0.03 0.00 0.48 0.00 0.00 55.95 55.61 1com s SER 48 Cb -0.13 -0.21 -0.02 0.00 0.10 0.00 0.00 66.02 65.76 1com s SER 48 CO 0.03 0.09 -0.10 0.00 0.98 0.00 0.00 173.24 174.24 1com s ALA 49 N -1.56 0.81 0.82 5.32 0.00 -1.13 -1.52 121.76 124.50 1com s ALA 49 Ca 0.16 -0.64 -0.13 0.00 0.00 0.00 0.00 51.96 51.35 1com s ALA 49 Cb -0.08 -0.11 0.07 0.00 0.00 0.00 0.00 23.12 23.01 1com s ALA 49 CO 0.08 0.13 1.10 0.25 0.00 0.00 0.00 175.76 177.31 1com n THR 50 N 2.09 1.76 0.84 0.00 -2.24 -0.45 -1.44 114.28 114.84 1com n THR 50 Ca -0.18 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1com n THR 50 Cb 0.56 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 1com n THR 50 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1com n PRO 51 N -3.04 0.42 -0.35 -0.78 -0.04 -1.26 -2.23 135.00 127.72 1com n PRO 51 Ca 0.13 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.68 1com n PRO 51 Cb 0.51 -1.00 0.27 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 -0.49 3.75 -4.11 3.54 5.68 -1.26 -4.92 116.55 118.75 1com n ASP 52 Ca 0.00 -2.11 -0.33 0.00 -0.50 0.00 0.00 54.79 51.85 1com n ASP 52 Cb 0.00 -0.42 -0.16 0.00 -1.14 0.00 0.00 41.12 39.40 1com n ASP 52 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1com s LEU 53 N -1.20 2.33 0.00 -2.12 1.43 -0.94 -4.84 118.68 113.33 1com s LEU 53 Ca 0.41 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1com s LEU 53 Cb 0.23 -1.48 0.00 0.00 0.03 0.00 0.00 46.19 44.96 1com s LEU 53 CO 0.25 -0.03 0.16 1.41 0.23 0.00 0.00 176.35 178.37 1com n HIS 54 N 4.59 0.00 -0.15 0.29 8.25 -1.26 -4.92 115.22 122.02 1com n HIS 54 Ca -0.20 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.15 1com n HIS 54 Cb 0.49 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.59 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 0.65 -2.93 -1.41 0.00 -1.92 -3.47 119.26 110.18 1com h ALA 55 Ca 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1com h ALA 55 Cb 0.27 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.82 1com h ALA 55 CO 0.00 0.62 0.11 0.54 0.00 0.00 0.00 179.25 180.53 1com s VAL 56 N -4.67 0.01 -0.18 0.00 0.11 -1.26 -4.66 120.40 109.75 1com s VAL 56 Ca -0.12 -0.87 -0.21 0.00 -2.93 0.00 0.00 61.98 57.85 1com s VAL 56 Cb 0.12 -1.77 -0.03 0.00 -1.53 0.00 0.00 36.38 33.17 1com s VAL 56 CO 0.86 -0.04 0.65 -0.36 -3.33 0.00 0.00 175.10 172.89 1com s PHE 57 N -3.90 3.41 0.54 1.54 0.08 -1.26 -4.97 117.98 113.41 1com s PHE 57 Ca 0.11 1.00 0.23 0.00 0.12 0.00 0.00 56.93 58.38 1com s PHE 57 Cb -0.03 -2.81 1.41 0.00 -0.57 0.00 0.00 43.02 41.02 1com s PHE 57 CO 0.02 -0.14 2.06 -1.35 -0.10 0.00 0.00 175.22 175.71 1com h PRO 58 N 7.35 0.00 -0.19 0.24 0.11 -1.95 -1.24 132.00 136.32 1com h PRO 58 Ca -0.33 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.84 1com h PRO 58 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1com h PRO 58 CO 0.78 0.00 0.22 0.00 -0.21 0.00 0.00 178.00 178.78 1com h ALA 59 N 1.82 1.82 -0.19 -0.75 0.00 -1.95 -0.16 119.26 119.86 1com h ALA 59 Ca 0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1com h ALA 59 Cb 0.61 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1com h ALA 59 CO -0.00 -0.32 0.10 -0.22 0.00 0.00 0.00 179.25 178.81 1com h LYS 60 N 0.00 0.25 -0.10 0.00 3.64 -1.64 -1.62 116.57 117.10 1com h LYS 60 Ca 0.09 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1com h LYS 60 Cb 0.52 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1com h LYS 60 CO -0.00 0.19 0.18 0.00 -2.27 0.00 0.00 179.45 177.54 1com h ALA 61 N 1.86 1.53 0.00 5.00 0.00 -1.22 -1.82 119.26 124.60 1com h ALA 61 Ca 0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1com h ALA 61 Cb 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1com h ALA 61 CO -0.01 -0.23 -0.21 0.28 0.00 0.00 0.00 179.25 179.08 1com h VAL 62 N 0.00 0.68 0.00 0.00 2.07 -1.46 -2.50 116.25 115.04 1com h VAL 62 Ca 0.05 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1com h VAL 62 Cb 0.40 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1com h VAL 62 CO -0.00 0.20 0.00 0.03 0.02 0.00 0.00 177.57 177.82 1com h ARG 63 N 0.00 0.00 -0.23 1.57 2.47 -1.49 -2.01 114.38 114.69 1com h ARG 63 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1com h ARG 63 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 1com h ARG 63 CO 0.03 0.00 0.00 0.39 0.56 0.00 0.00 179.97 180.95 1com n GLU 64 N -2.78 1.96 -3.61 0.04 1.02 -0.94 -4.76 120.64 111.58 1com n GLU 64 Ca -0.01 -1.45 -0.39 0.00 -0.02 0.00 0.00 57.16 55.29 1com n GLU 64 Cb 0.14 -1.43 -0.11 0.00 -0.02 0.00 0.00 31.44 30.02 1com n GLU 64 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1com s LEU 65 N -1.53 4.11 0.30 -4.62 1.43 -0.76 -5.06 118.68 112.55 1com s LEU 65 Ca 0.34 -0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 52.86 1com s LEU 65 Cb 0.19 -2.07 -0.10 0.00 0.03 0.00 0.00 46.19 44.24 1com s LEU 65 CO 0.27 -0.14 1.20 -0.44 0.23 0.00 0.00 176.35 177.48 1com s SER 66 N 1.69 7.03 0.00 2.29 0.01 -1.26 -2.73 113.70 120.74 1com s SER 66 Ca 0.06 2.47 0.00 0.00 1.31 0.00 0.00 55.95 59.79 1com s SER 66 Cb -0.17 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.43 1com s SER 66 CO 0.09 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.02 1com n GLY 67 N 1.04 1.16 1.15 3.44 0.00 -1.26 -4.89 105.19 105.82 1com n GLY 67 Ca -0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.00 0.51 -0.31 1.61 7.02 -1.10 -4.55 117.44 118.61 1com n TRP 68 Ca 0.00 -0.26 0.26 0.00 -1.02 0.00 0.00 57.50 56.48 1com n TRP 68 Cb 0.00 -0.00 0.59 0.00 -2.42 0.00 0.00 31.31 29.48 1com n TRP 68 CO 0.00 0.00 0.00 0.37 -2.02 0.00 0.00 177.69 176.04 1com h GLN 69 N 4.42 0.25 -0.02 -0.99 4.15 -1.87 -1.74 115.11 119.32 1com h GLN 69 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1com h GLN 69 Cb 0.98 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.61 1com h GLN 69 CO 0.00 0.17 -0.07 0.66 -1.93 0.00 0.00 178.83 177.66 1com n TYR 70 N -4.49 0.00 -1.84 3.99 4.01 -1.26 -4.90 117.16 112.68 1com n TYR 70 Ca 0.25 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.57 1com n TYR 70 Cb 0.98 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.97 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 -2.08 3.06 -0.03 -0.72 1.01 -0.66 -4.96 120.40 116.02 1com s VAL 71 Ca 0.30 0.33 -0.30 0.00 0.00 0.00 0.00 61.98 62.31 1com s VAL 71 Cb 0.20 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 1com s VAL 71 CO 0.35 -0.01 1.38 -2.84 0.00 0.00 0.00 175.10 173.98 1com s PRO 72 N 3.44 4.28 0.01 2.72 0.02 -1.26 -4.98 135.00 139.23 1com s PRO 72 Ca 0.79 1.91 0.03 0.00 0.02 0.00 0.00 61.00 63.75 1com s PRO 72 Cb -0.40 -3.62 -0.01 0.00 0.02 0.00 0.00 34.50 30.49 1com s PRO 72 CO 0.35 -0.59 -0.10 0.08 -0.33 0.00 0.00 177.00 176.41 1com s VAL 73 N 2.60 0.82 0.11 3.83 1.01 -1.26 -1.66 120.40 125.85 1com s VAL 73 Ca 0.62 -0.58 -0.15 0.00 0.00 0.00 0.00 61.98 61.87 1com s VAL 73 Cb -0.30 -0.71 0.03 0.00 0.00 0.00 0.00 36.38 35.40 1com s VAL 73 CO 0.25 0.13 0.37 0.28 0.00 0.00 0.00 175.10 176.12 1com s THR 74 N -0.44 0.08 0.41 3.92 -1.32 -0.99 -4.99 115.64 112.32 1com s THR 74 Ca 0.02 -0.66 0.07 0.00 -1.21 0.00 0.00 61.69 59.92 1com s THR 74 Cb -0.05 -1.17 -0.04 0.00 -1.51 0.00 0.00 72.50 69.72 1com s THR 74 CO 0.00 -0.36 0.23 0.00 -2.21 0.00 0.00 174.62 172.28 1com s MET 76 N -3.96 1.38 -0.16 0.00 0.23 -0.17 -4.87 119.30 111.76 1com s MET 76 Ca 0.43 -0.64 -0.18 0.00 -1.03 0.00 0.00 55.69 54.28 1com s MET 76 Cb 0.02 0.56 -0.04 0.00 -1.53 0.00 0.00 34.83 33.84 1com s MET 76 CO 0.24 -0.62 0.47 -1.14 -2.03 0.00 0.00 175.02 171.94 1com s GLN 77 N -3.69 4.26 0.61 3.16 0.74 -1.26 -2.85 119.66 120.64 1com s GLN 77 Ca 0.06 0.39 -0.18 0.00 0.05 0.00 0.00 55.36 55.68 1com s GLN 77 Cb -0.03 -3.49 -0.02 0.00 1.10 0.00 0.00 33.01 30.57 1com s GLN 77 CO -0.05 0.03 1.18 -2.00 -0.55 0.00 0.00 175.29 173.91 1com s GLU 78 N 1.04 2.89 0.56 1.67 2.56 -0.52 -4.90 118.70 122.00 1com s GLU 78 Ca 0.24 1.72 -0.16 0.00 0.00 0.00 0.00 54.97 56.77 1com s GLU 78 Cb -0.15 -1.93 -0.06 0.00 2.00 0.00 0.00 34.13 33.99 1com s GLU 78 CO 0.09 -1.25 1.02 0.00 -0.56 0.00 0.00 175.26 174.57 1com s MET 79 N -3.52 3.62 -0.61 4.30 0.23 -1.26 -4.48 119.30 117.58 1com s MET 79 Ca 0.75 1.08 -0.17 0.00 -1.03 0.00 0.00 55.69 56.32 1com s MET 79 Cb -0.28 -2.08 0.13 0.00 -1.53 0.00 0.00 34.83 31.07 1com s MET 79 CO 0.35 -0.55 0.64 0.34 -2.03 0.00 0.00 175.02 173.77 1com s ASP 80 N -2.94 6.27 -0.17 -1.18 2.15 -1.26 -4.87 116.67 114.67 1com s ASP 80 Ca 0.61 -1.75 -0.07 0.00 0.43 0.00 0.00 52.55 51.78 1com s ASP 80 Cb -0.13 -2.26 -0.04 0.00 -0.30 0.00 0.00 42.92 40.19 1com s ASP 80 CO 0.35 -0.95 0.06 -0.69 -0.17 0.00 0.00 175.17 173.77 1com s VAL 81 N 1.96 4.83 0.02 1.11 1.01 -1.26 -5.03 120.40 123.03 1com s VAL 81 Ca 0.09 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 1com s VAL 81 Cb -0.24 -3.16 -0.09 0.00 0.00 0.00 0.00 36.38 32.90 1com s VAL 81 CO 0.03 0.49 1.96 -0.89 0.00 0.00 0.00 175.10 176.69 1com s THR 82 N 0.13 3.05 0.00 3.92 2.01 -1.26 -0.26 115.64 123.22 1com s THR 82 Ca 0.05 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1com s THR 82 Cb -0.12 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.35 1com s THR 82 CO 0.01 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 1com n GLY 83 N 4.58 0.46 3.81 4.40 0.00 -1.26 -5.05 105.19 112.14 1com n GLY 83 Ca 0.20 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 1com n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1com s GLY 84 N -2.43 1.67 0.15 -0.02 0.00 0.64 -4.96 107.32 102.36 1com s GLY 84 Ca 0.00 0.12 -0.32 0.00 0.00 0.00 0.00 44.72 44.52 1com s GLY 84 CO 0.00 0.44 1.80 -0.10 0.00 0.00 0.00 173.10 175.24 1com n LEU 85 N -3.23 4.02 -4.86 0.66 7.94 -1.26 -4.97 117.00 115.29 1com n LEU 85 Ca 0.08 1.01 -0.31 0.00 -1.11 0.00 0.00 56.01 55.68 1com n LEU 85 Cb 0.53 -1.55 0.02 0.00 0.53 0.00 0.00 43.42 42.96 1com n LEU 85 CO 0.55 0.17 0.72 -0.54 -1.11 0.00 0.00 177.39 177.19 1com s LYS 86 N 2.27 3.37 -1.26 1.96 -0.14 -1.26 -4.42 119.74 120.26 1com s LYS 86 Ca 0.80 0.76 -0.19 0.00 -1.36 0.00 0.00 55.97 55.98 1com s LYS 86 Cb -0.49 -2.05 0.01 0.00 -1.68 0.00 0.00 37.83 33.62 1com s LYS 86 CO 0.36 -0.74 0.60 1.63 -0.76 0.00 0.00 175.35 176.44 1com n LYS 87 N -2.86 -1.28 -5.20 1.68 5.02 -1.26 -4.80 118.16 109.45 1com n LYS 87 Ca 0.06 0.28 -0.32 0.00 -2.02 0.00 0.00 58.31 56.32 1com n LYS 87 Cb 0.54 -3.62 -0.16 0.00 -0.02 0.00 0.00 35.03 31.77 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 0.01 2.96 0.04 0.00 1.01 -0.26 -1.33 121.20 123.62 1com s ILE 89 Ca -0.08 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 59.88 1com s ILE 89 Cb -0.15 -2.21 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 1com s ILE 89 CO 0.05 0.55 -0.10 -0.13 0.00 0.00 0.00 174.94 175.32 1com s ARG 90 N 0.02 0.63 0.07 2.79 0.52 -0.58 -0.94 118.95 121.46 1com s ARG 90 Ca -0.05 -0.71 0.05 0.00 -0.52 0.00 0.00 55.73 54.50 1com s ARG 90 Cb -0.14 -0.51 -0.03 0.00 0.52 0.00 0.00 34.95 34.79 1com s ARG 90 CO 0.04 0.11 -0.13 0.14 0.02 0.00 0.00 175.30 175.49 1com s VAL 91 N -1.09 1.03 -0.32 3.52 -7.23 -0.11 -1.40 120.40 114.81 1com s VAL 91 Ca -0.05 -1.32 0.01 0.00 -1.81 0.00 0.00 61.98 58.80 1com s VAL 91 Cb -0.08 -1.05 0.10 0.00 0.56 0.00 0.00 36.38 35.90 1com s VAL 91 CO 0.01 -0.28 0.08 -0.32 -0.31 0.00 0.00 175.10 174.28 1com s MET 92 N -1.85 0.95 -0.21 4.82 1.75 0.12 -1.91 119.30 122.97 1com s MET 92 Ca -0.02 -1.30 -0.14 0.00 -1.25 0.00 0.00 55.69 52.98 1com s MET 92 Cb -0.09 -2.35 -0.04 0.00 2.84 0.00 0.00 34.83 35.19 1com s MET 92 CO 0.02 -0.97 0.33 1.41 -0.65 0.00 0.00 175.02 175.16 1com s MET 93 N 1.41 4.16 -0.25 4.11 1.75 0.87 -1.00 119.30 130.34 1com s MET 93 Ca 0.10 0.08 -0.09 0.00 -1.25 0.00 0.00 55.69 54.53 1com s MET 93 Cb -0.18 -3.53 -0.04 0.00 2.84 0.00 0.00 34.83 33.93 1com s MET 93 CO -0.20 0.01 0.12 0.99 -0.65 0.00 0.00 175.02 175.29 1com s THR 94 N 1.17 4.76 0.05 10.11 2.01 -0.57 0.11 115.64 133.27 1com s THR 94 Ca 0.16 -0.02 0.07 0.00 0.31 0.00 0.00 61.69 62.21 1com s THR 94 Cb -0.14 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 1com s THR 94 CO 0.07 0.32 -0.21 0.68 -0.69 0.00 0.00 174.62 174.79 1com s VAL 95 N 1.54 1.65 -0.07 3.82 -7.23 0.70 -0.28 120.40 120.53 1com s VAL 95 Ca 0.06 -1.22 -0.30 0.00 -1.81 0.00 0.00 61.98 58.71 1com s VAL 95 Cb -0.15 -1.45 -0.06 0.00 0.56 0.00 0.00 36.38 35.29 1com s VAL 95 CO 0.06 0.18 1.73 -1.58 -0.31 0.00 0.00 175.10 175.17 1com s GLN 96 N -1.24 4.08 0.07 4.82 0.74 0.15 -0.30 119.66 127.98 1com s GLN 96 Ca 0.07 2.18 -0.23 0.00 0.05 0.00 0.00 55.36 57.43 1com s GLN 96 Cb -0.09 -4.04 0.06 0.00 1.10 0.00 0.00 33.01 30.04 1com s GLN 96 CO 0.02 -0.98 0.56 -0.08 -0.55 0.00 0.00 175.29 174.26 1com s THR 97 N 4.45 0.02 -1.37 -0.34 -1.32 -0.59 -4.92 115.64 111.58 1com s THR 97 Ca 0.77 -0.15 0.16 0.00 -1.21 0.00 0.00 61.69 61.26 1com s THR 97 Cb -0.34 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.62 1com s THR 97 CO 0.32 -0.08 0.83 0.47 -2.21 0.00 0.00 174.62 173.94 1com n ASP 98 N 0.19 1.48 -4.77 8.08 8.00 -1.26 -1.98 116.55 126.28 1com n ASP 98 Ca -0.18 -1.24 -0.41 0.00 0.71 0.00 0.00 54.79 53.67 1com n ASP 98 Cb 0.62 0.57 -0.01 0.00 -0.02 0.00 0.00 41.12 42.27 1com n ASP 98 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1com s VAL 99 N -2.03 2.50 0.32 2.53 1.01 -1.26 -4.95 120.40 118.51 1com s VAL 99 Ca 0.12 0.50 -0.29 0.00 0.00 0.00 0.00 61.98 62.32 1com s VAL 99 Cb 0.13 -3.32 -0.13 0.00 0.00 0.00 0.00 36.38 33.06 1com s VAL 99 CO 0.46 0.12 1.30 -2.65 0.00 0.00 0.00 175.10 174.33 1com n PRO 100 N 0.78 2.08 -0.33 2.72 -0.02 -1.26 -4.89 135.00 134.07 1com n PRO 100 Ca 0.01 0.73 0.23 0.00 -2.02 0.00 0.00 63.50 62.45 1com n PRO 100 Cb 0.41 -2.32 0.44 0.00 -0.02 0.00 0.00 33.50 32.01 1com n PRO 100 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1com h GLN 101 N 2.90 0.05 -0.00 -0.52 4.15 -1.98 0.26 115.11 119.98 1com h GLN 101 Ca -0.46 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1com h GLN 101 Cb 1.28 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.96 1com h GLN 101 CO 0.65 0.03 -0.01 -0.40 -1.93 0.00 0.00 178.83 177.18 1com n ASP 102 N -5.32 0.31 -0.11 -0.69 5.75 -1.26 -3.36 116.55 111.87 1com n ASP 102 Ca 0.30 -0.99 0.04 0.00 -0.01 0.00 0.00 54.79 54.14 1com n ASP 102 Cb 1.01 -0.03 -0.02 0.00 -1.03 0.00 0.00 41.12 41.05 1com n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1com n GLN 103 N -0.80 3.07 -1.84 0.11 6.02 0.90 -4.98 117.38 119.85 1com n GLN 103 Ca 0.21 -0.32 -0.41 0.00 -0.01 0.00 0.00 57.00 56.48 1com n GLN 103 Cb 0.18 -0.98 -0.01 0.00 1.02 0.00 0.00 30.24 30.45 1com n GLN 103 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1com s ILE 104 N -1.48 2.18 -0.59 5.09 -1.09 -1.04 -4.95 121.20 119.32 1com s ILE 104 Ca 0.05 0.17 -0.21 0.00 -2.23 0.00 0.00 60.65 58.43 1com s ILE 104 Cb 0.07 -3.11 0.08 0.00 -1.58 0.00 0.00 42.46 37.92 1com s ILE 104 CO 0.27 0.03 0.81 -0.13 -1.23 0.00 0.00 174.94 174.70 1com s ARG 105 N -1.28 3.12 0.29 2.79 1.81 -1.26 -5.05 118.95 119.37 1com s ARG 105 Ca 0.57 -0.93 -0.15 0.00 -1.72 0.00 0.00 55.73 53.50 1com s ARG 105 Cb -0.46 -4.19 -0.09 0.00 -0.45 0.00 0.00 34.95 29.76 1com s ARG 105 CO 0.54 -1.57 0.70 -1.01 -0.68 0.00 0.00 175.30 173.28 1com s HIS 106 N 3.32 3.42 -0.09 -0.53 3.76 -0.69 -4.79 115.29 119.68 1com s HIS 106 Ca 0.18 1.17 0.03 0.00 -0.15 0.00 0.00 55.06 56.30 1com s HIS 106 Cb -0.19 -2.49 0.00 0.00 1.11 0.00 0.00 32.58 31.01 1com s HIS 106 CO 0.10 0.16 -0.20 0.08 -0.85 0.00 0.00 174.74 174.03 1com s VAL 107 N -1.89 1.76 -0.15 -0.90 1.01 -0.47 -4.92 120.40 114.85 1com s VAL 107 Ca 0.51 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.65 1com s VAL 107 Cb -0.11 -1.55 0.04 0.00 0.00 0.00 0.00 36.38 34.76 1com s VAL 107 CO 0.18 0.49 -0.06 -0.31 0.00 0.00 0.00 175.10 175.41 1com s TYR 108 N 0.49 1.65 0.30 5.22 1.51 -1.26 -0.53 117.35 124.73 1com s TYR 108 Ca -0.17 -0.98 0.10 0.00 -1.01 0.00 0.00 57.07 55.02 1com s TYR 108 Cb -0.17 -1.30 -0.06 0.00 -0.11 0.00 0.00 41.96 40.32 1com s TYR 108 CO 0.06 -0.59 -0.14 -0.51 -1.11 0.00 0.00 175.55 173.27 1com s LEU 109 N 1.65 2.64 0.00 -1.29 1.43 0.47 -4.38 118.68 119.21 1com s LEU 109 Ca 0.02 -1.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.00 1com s LEU 109 Cb -0.14 -0.98 0.00 0.00 0.03 0.00 0.00 46.19 45.10 1com s LEU 109 CO -0.08 -0.12 0.00 -0.62 0.23 0.00 0.00 176.35 175.76 1com n GLU 110 N -0.68 0.00 0.05 1.70 -0.58 -1.26 -1.84 120.64 118.04 1com n GLU 110 Ca -0.05 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.81 1com n GLU 110 Cb 0.62 0.00 0.48 0.00 -0.57 0.00 0.00 31.44 31.97 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 13.65 0.12 0.08 3.49 5.02 -1.26 -3.07 118.16 136.18 1com n LYS 111 Ca 0.00 0.17 0.09 0.00 -2.02 0.00 0.00 58.31 56.56 1com n LYS 111 Cb 0.00 -1.66 0.40 0.00 -0.02 0.00 0.00 35.03 33.75 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 -1.64 1.58 0.17 7.82 0.00 -0.76 -2.59 120.51 125.09 1com n ALA 112 Ca 0.05 0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.63 1com n ALA 112 Cb 0.33 -1.30 0.55 0.00 0.00 0.00 0.00 19.45 19.03 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 0.00 0.00 0.00 -1.51 -1.61 -0.30 116.25 112.82 1com h VAL 113 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 1com h VAL 113 Cb 0.27 0.45 -0.00 0.00 -2.13 0.00 0.00 31.29 29.88 1com h VAL 113 CO 0.00 0.00 -0.06 1.62 -1.23 0.00 0.00 177.57 177.90 1com h VAL 114 N 0.00 0.05 0.07 7.19 3.04 -1.80 -3.38 116.25 121.42 1com h VAL 114 Ca 0.00 -1.08 -0.00 0.00 -1.01 0.00 0.00 66.70 64.61 1com h VAL 114 Cb 0.17 2.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 1com h VAL 114 CO 0.00 0.03 -0.03 -0.07 -1.01 0.00 0.00 177.57 176.49 1com h LEU 115 N 0.00 -0.07 -6.68 3.16 3.38 -1.29 -3.37 115.31 110.44 1com h LEU 115 Ca -0.00 -0.25 -0.60 0.00 0.09 0.00 0.00 57.88 57.12 1com h LEU 115 Cb 1.02 0.02 -0.40 0.00 0.09 0.00 0.00 40.66 41.40 1com h LEU 115 CO 0.00 0.21 -0.82 -0.13 0.09 0.00 0.00 178.44 177.80 1com s ARG 116 N -5.07 1.40 0.00 1.13 1.81 -1.26 -5.00 118.95 111.95 1com s ARG 116 Ca -0.15 -2.41 0.00 0.00 -1.72 0.00 0.00 55.73 51.45 1com s ARG 116 Cb 0.03 -2.13 0.00 0.00 -0.45 0.00 0.00 34.95 32.41 1com s ARG 116 CO 0.65 -1.32 0.00 -0.35 -0.68 0.00 0.00 175.30 173.60 1com n PRO 117 N 2.75 0.00 -2.63 3.54 -0.04 -1.26 -3.62 135.00 133.75 1com n PRO 117 Ca 0.23 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.66 1com n PRO 117 Cb 0.42 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.49 1com n PRO 117 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1com n ASP 118 N 1.24 -1.52 0.00 3.54 5.75 -1.26 -5.18 116.55 119.12 1com n ASP 118 Ca 0.00 -2.22 0.00 0.00 -0.01 0.00 0.00 54.79 52.56 1com n ASP 118 Cb 0.00 0.76 0.00 0.00 -1.03 0.00 0.00 41.12 40.85 1com n ASP 118 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98