#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 2.73 -0.04 1.12 -1.09 -1.26 -0.53 121.20 122.13 1com s ILE 3 Ca 0.00 -0.91 -0.04 0.00 -2.23 0.00 0.00 60.65 57.47 1com s ILE 3 Cb 0.00 -2.05 0.01 0.00 -1.58 0.00 0.00 42.46 38.84 1com s ILE 3 CO 0.00 0.55 0.12 -0.13 -1.23 0.00 0.00 174.94 174.24 1com s ARG 4 N -0.81 0.16 0.39 2.79 0.52 -0.08 -4.88 118.95 117.04 1com s ARG 4 Ca 0.12 0.11 -0.23 0.00 -0.52 0.00 0.00 55.73 55.20 1com s ARG 4 Cb -0.10 0.08 -0.10 0.00 0.52 0.00 0.00 34.95 35.34 1com s ARG 4 CO 0.01 -0.02 0.95 0.20 0.02 0.00 0.00 175.30 176.46 1com s GLY 5 N -0.07 2.56 -0.02 -3.53 0.00 -1.26 -1.42 107.32 103.59 1com s GLY 5 Ca -0.01 0.46 0.06 0.00 0.00 0.00 0.00 44.72 45.23 1com s GLY 5 CO 0.00 0.81 -0.19 -0.42 0.00 0.00 0.00 173.10 173.30 1com s ILE 6 N -1.94 1.55 0.16 0.90 1.01 -0.11 -4.96 121.20 117.80 1com s ILE 6 Ca 0.58 -0.83 0.10 0.00 0.00 0.00 0.00 60.65 60.49 1com s ILE 6 Cb -0.13 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1com s ILE 6 CO 0.18 0.44 -0.22 -0.13 0.00 0.00 0.00 174.94 175.21 1com s ARG 7 N -0.40 1.34 0.18 2.79 1.81 -1.26 -0.99 118.95 122.42 1com s ARG 7 Ca 0.06 -1.39 -0.17 0.00 -1.72 0.00 0.00 55.73 52.51 1com s ARG 7 Cb -0.08 -1.57 0.03 0.00 -0.45 0.00 0.00 34.95 32.87 1com s ARG 7 CO -0.00 0.34 0.50 0.20 -0.68 0.00 0.00 175.30 175.66 1com s GLY 8 N -2.44 -0.11 -0.16 -3.53 0.00 -0.95 -1.17 107.32 98.95 1com s GLY 8 Ca 0.15 -0.20 -0.21 0.00 0.00 0.00 0.00 44.72 44.47 1com s GLY 8 CO 0.07 -0.27 0.55 0.00 0.00 0.00 0.00 173.10 173.45 1com s ALA 9 N -3.86 -1.38 0.21 3.20 0.00 -0.73 -1.51 121.76 117.68 1com s ALA 9 Ca 0.08 1.40 -0.07 0.00 0.00 0.00 0.00 51.96 53.38 1com s ALA 9 Cb -0.01 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 1com s ALA 9 CO -0.04 -0.28 0.28 -0.08 0.00 0.00 0.00 175.76 175.64 1com s THR 10 N -0.14 0.02 0.18 0.00 -1.32 0.32 -0.75 115.64 113.96 1com s THR 10 Ca -0.03 -1.67 0.08 0.00 -1.21 0.00 0.00 61.69 58.86 1com s THR 10 Cb -0.03 -2.24 -0.04 0.00 -1.51 0.00 0.00 72.50 68.67 1com s THR 10 CO 0.03 -0.08 -0.16 0.42 -2.21 0.00 0.00 174.62 172.61 1com s THR 11 N -4.07 1.73 0.07 5.08 -4.23 -1.25 -1.20 115.64 111.78 1com s THR 11 Ca 0.28 -2.02 0.08 0.00 -1.18 0.00 0.00 61.69 58.85 1com s THR 11 Cb 0.04 -1.89 -0.04 0.00 1.34 0.00 0.00 72.50 71.95 1com s THR 11 CO 0.08 -0.45 -0.16 0.68 -0.54 0.00 0.00 174.62 174.23 1com s VAL 12 N -2.45 2.94 0.07 2.29 -7.23 -0.68 -4.81 120.40 110.53 1com s VAL 12 Ca 0.18 -1.29 -0.14 0.00 -1.81 0.00 0.00 61.98 58.92 1com s VAL 12 Cb -0.04 -2.30 -0.25 0.00 0.56 0.00 0.00 36.38 34.35 1com s VAL 12 CO 0.06 0.22 1.16 -0.33 -0.31 0.00 0.00 175.10 175.91 1com h GLU 13 N 4.12 0.68 -5.24 4.82 4.39 -1.95 -3.46 114.58 117.94 1com h GLU 13 Ca -0.49 -0.77 -0.42 0.00 0.34 0.00 0.00 59.36 58.02 1com h GLU 13 Cb 1.16 0.23 -0.23 0.00 -0.10 0.00 0.00 28.75 29.81 1com h GLU 13 CO 0.48 1.34 -0.78 1.03 -1.16 0.00 0.00 179.01 179.92 1com s ARG 14 N -3.23 0.84 -1.31 2.33 0.52 -1.26 -5.07 118.95 111.77 1com s ARG 14 Ca -0.10 -0.81 -0.17 0.00 -0.52 0.00 0.00 55.73 54.13 1com s ARG 14 Cb 0.06 -0.83 0.08 0.00 0.52 0.00 0.00 34.95 34.78 1com s ARG 14 CO 0.92 0.20 1.77 -3.47 0.02 0.00 0.00 175.30 174.74 1com n ASP 15 N 1.66 4.84 -4.42 0.23 2.03 -1.26 -4.69 116.55 114.94 1com n ASP 15 Ca -0.19 -2.92 -0.21 0.00 0.52 0.00 0.00 54.79 51.99 1com n ASP 15 Cb 0.55 -1.71 -0.10 0.00 -0.72 0.00 0.00 41.12 39.14 1com n ASP 15 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1com s THR 16 N 3.63 1.54 0.07 5.18 -4.23 -1.26 -4.66 115.64 115.90 1com s THR 16 Ca 0.51 -2.10 -0.17 0.00 -1.18 0.00 0.00 61.69 58.75 1com s THR 16 Cb 0.05 -2.45 -0.13 0.00 1.34 0.00 0.00 72.50 71.30 1com s THR 16 CO 0.04 -0.29 1.34 -0.08 -0.54 0.00 0.00 174.62 175.09 1com h GLU 17 N 2.30 0.56 0.44 3.99 4.81 -1.91 -3.04 114.58 121.73 1com h GLU 17 Ca -0.40 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 58.48 1com h GLU 17 Cb 1.23 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 1com h GLU 17 CO 0.67 0.95 -0.48 1.49 -0.73 0.00 0.00 179.01 180.91 1com h GLU 18 N 0.23 -0.90 -0.89 1.92 4.81 -1.97 -0.93 114.58 116.84 1com h GLU 18 Ca 0.02 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1com h GLU 18 Cb 0.91 0.20 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 1com h GLU 18 CO 0.07 -0.60 0.57 1.49 -0.73 0.00 0.00 179.01 179.81 1com h GLU 19 N -0.94 1.19 -0.61 1.92 4.81 -1.87 0.30 114.58 119.39 1com h GLU 19 Ca -0.05 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 58.99 1com h GLU 19 Cb 0.83 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 1com h GLU 19 CO -0.08 0.81 -0.01 0.82 -0.73 0.00 0.00 179.01 179.82 1com h ILE 20 N 1.22 1.27 -0.08 2.32 2.04 -1.37 -0.53 117.51 122.37 1com h ILE 20 Ca 0.32 -1.17 -0.23 0.00 1.00 0.00 0.00 64.86 64.78 1com h ILE 20 Cb -0.10 0.80 0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1com h ILE 20 CO -0.07 0.42 -0.87 -0.07 0.00 0.00 0.00 178.15 177.57 1com h LEU 21 N 0.98 0.83 -0.25 1.44 3.38 -0.70 -1.95 115.31 119.04 1com h LEU 21 Ca 0.17 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 1com h LEU 21 Cb 0.57 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1com h LEU 21 CO 0.03 1.39 0.11 -0.61 0.09 0.00 0.00 178.44 179.45 1com h GLN 22 N 0.43 0.37 -0.10 1.13 4.15 -0.76 -0.01 115.11 120.32 1com h GLN 22 Ca -0.08 -0.06 -0.18 0.00 0.77 0.00 0.00 58.65 59.10 1com h GLN 22 Cb 1.50 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 29.14 1com h GLN 22 CO 0.17 0.39 -0.65 0.87 -1.93 0.00 0.00 178.83 177.69 1com h LYS 23 N 0.26 0.62 -0.76 1.69 1.79 -1.10 -2.57 116.57 116.49 1com h LYS 23 Ca 0.08 -0.53 0.05 0.00 -2.18 0.00 0.00 60.65 58.07 1com h LYS 23 Cb 0.16 0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 30.87 1com h LYS 23 CO -0.01 1.15 0.47 1.15 -1.08 0.00 0.00 179.45 181.13 1com h THR 24 N 0.27 1.06 -0.39 -0.16 2.02 -1.24 -0.59 112.91 113.87 1com h THR 24 Ca -0.05 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1com h THR 24 Cb 1.29 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1com h THR 24 CO 0.13 0.16 0.22 0.50 0.37 0.00 0.00 175.52 176.90 1com h LYS 25 N 0.88 0.55 -0.22 6.66 3.64 -0.97 -0.88 116.57 126.23 1com h LYS 25 Ca 0.32 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.57 1com h LYS 25 Cb 0.10 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1com h LYS 25 CO -0.15 0.44 -0.17 1.96 -2.27 0.00 0.00 179.45 179.27 1com h GLN 26 N 0.51 0.38 0.03 1.90 4.20 -1.22 -0.10 115.11 120.81 1com h GLN 26 Ca 0.14 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1com h GLN 26 Cb 0.05 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1com h GLN 26 CO -0.02 0.55 -0.01 1.25 -0.67 0.00 0.00 178.83 179.92 1com h LEU 27 N 0.35 -0.03 0.17 1.46 5.85 -0.35 -2.90 115.31 119.86 1com h LEU 27 Ca 0.06 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.46 1com h LEU 27 Cb 0.51 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 1com h LEU 27 CO 0.03 0.32 -0.42 -0.07 -0.34 0.00 0.00 178.44 177.96 1com h LEU 28 N -0.39 -1.22 -0.99 2.25 3.38 -0.99 -0.80 115.31 116.54 1com h LEU 28 Ca -0.00 0.13 0.35 0.00 0.09 0.00 0.00 57.88 58.45 1com h LEU 28 Cb 0.37 0.45 -0.16 0.00 0.09 0.00 0.00 40.66 41.41 1com h LEU 28 CO 0.01 -0.50 0.51 -0.33 0.09 0.00 0.00 178.44 178.21 1com h GLU 29 N -0.69 0.17 -0.12 1.13 5.08 -1.11 0.18 114.58 119.22 1com h GLU 29 Ca 0.01 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1com h GLU 29 Cb 0.69 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.91 1com h GLU 29 CO -0.21 0.11 -0.75 -0.22 -1.00 0.00 0.00 179.01 176.94 1com h LYS 30 N 0.18 0.73 0.38 2.33 1.63 -1.19 -0.48 116.57 120.15 1com h LYS 30 Ca 0.76 -0.62 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 1com h LYS 30 Cb 1.84 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 33.59 1com h LYS 30 CO -0.69 1.23 -0.27 0.82 -3.45 0.00 0.00 179.45 177.09 1com h ILE 31 N 0.44 0.43 -0.27 2.00 2.04 0.40 -1.61 117.51 120.93 1com h ILE 31 Ca -0.06 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.87 1com h ILE 31 Cb 1.39 0.43 -0.08 0.00 -0.74 0.00 0.00 36.82 37.83 1com h ILE 31 CO 0.15 0.00 -0.31 0.40 0.00 0.00 0.00 178.15 178.40 1com h ILE 32 N -0.64 0.28 -0.25 -0.67 2.04 -1.10 0.16 117.51 117.32 1com h ILE 32 Ca -0.04 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.89 1com h ILE 32 Cb 0.55 0.28 -0.07 0.00 -0.74 0.00 0.00 36.82 36.84 1com h ILE 32 CO 0.01 0.00 -0.20 -0.33 0.00 0.00 0.00 178.15 177.63 1com h GLU 33 N -0.30 -0.18 0.00 2.37 5.08 -0.99 0.50 114.58 121.05 1com h GLU 33 Ca 0.14 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1com h GLU 33 Cb 0.53 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1com h GLU 33 CO -0.44 -0.12 -0.28 0.93 -1.00 0.00 0.00 179.01 178.10 1com h GLU 34 N -0.19 0.00 -0.01 2.33 5.08 -0.32 -3.00 114.58 118.46 1com h GLU 34 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1com h GLU 34 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1com h GLU 34 CO -0.37 0.28 -0.08 0.09 -1.00 0.00 0.00 179.01 177.93 1com n ASN 35 N -3.43 1.66 -3.59 1.42 3.02 0.46 -4.78 115.26 110.03 1com n ASN 35 Ca 0.00 -1.33 -0.23 0.00 -0.03 0.00 0.00 54.58 52.99 1com n ASN 35 Cb 0.46 0.18 0.08 0.00 -0.61 0.00 0.00 39.78 39.89 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 0.29 -2.75 -2.43 3.10 8.25 0.17 -4.92 115.22 116.93 1com n HIS 36 Ca 0.06 1.00 -0.41 0.00 -0.26 0.00 0.00 57.72 58.11 1com n HIS 36 Cb 0.25 -5.00 -0.04 0.00 1.12 0.00 0.00 29.99 26.33 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 -3.33 3.58 -0.11 1.59 2.01 -0.94 -5.04 115.64 113.40 1com s THR 37 Ca 0.50 1.42 -0.02 0.00 0.31 0.00 0.00 61.69 63.89 1com s THR 37 Cb -0.22 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 1com s THR 37 CO 0.74 0.27 -0.02 -0.54 -0.69 0.00 0.00 174.62 174.38 1com s LYS 38 N -0.68 3.24 0.32 4.92 -0.14 -1.26 -4.94 119.74 121.21 1com s LYS 38 Ca 0.49 -0.46 0.07 0.00 -1.36 0.00 0.00 55.97 54.72 1com s LYS 38 Cb -0.32 -2.83 0.78 0.00 -1.68 0.00 0.00 37.83 33.77 1com s LYS 38 CO 0.38 0.52 1.79 -1.00 -0.76 0.00 0.00 175.35 176.28 1com h PRO 39 N 5.77 0.71 0.00 -1.68 0.13 -1.96 -1.44 132.00 133.53 1com h PRO 39 Ca -0.43 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1com h PRO 39 Cb 1.19 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1com h PRO 39 CO 0.58 0.47 0.00 1.05 -0.23 0.00 0.00 178.00 179.87 1com h GLU 40 N 0.73 0.00 -0.30 0.86 9.09 -1.96 -1.57 114.58 121.43 1com h GLU 40 Ca 0.57 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.98 1com h GLU 40 Cb 0.93 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.03 1com h GLU 40 CO -0.35 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.46 1com n ASP 41 N -2.36 2.55 -4.63 3.06 8.00 -0.54 -4.86 116.55 117.76 1com n ASP 41 Ca 0.02 -1.87 -0.39 0.00 0.71 0.00 0.00 54.79 53.26 1com n ASP 41 Cb 0.26 -0.19 -0.08 0.00 -0.02 0.00 0.00 41.12 41.08 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 -1.62 5.17 0.25 2.53 1.01 -0.59 -0.27 120.40 126.87 1com s VAL 42 Ca 0.35 0.66 -0.01 0.00 0.00 0.00 0.00 61.98 62.98 1com s VAL 42 Cb 0.20 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.89 1com s VAL 42 CO 0.28 0.18 1.66 0.58 0.00 0.00 0.00 175.10 177.81 1com h VAL 43 N 5.26 1.27 0.00 2.92 2.07 -1.28 -3.46 116.25 123.03 1com h VAL 43 Ca -0.33 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 65.85 1com h VAL 43 Cb 1.16 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1com h VAL 43 CO 0.68 0.44 0.00 0.00 0.02 0.00 0.00 177.57 178.71 1com n GLN 44 N -4.10 0.00 -3.80 1.57 10.64 -1.25 -4.69 117.38 115.76 1com n GLN 44 Ca -0.00 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.03 1com n GLN 44 Cb 0.43 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.67 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 -2.00 0.07 -0.10 2.61 1.75 0.46 -1.46 119.30 120.63 1com s MET 45 Ca 0.00 0.22 -0.01 0.00 -1.25 0.00 0.00 55.69 54.65 1com s MET 45 Cb 0.00 -0.09 -0.03 0.00 2.84 0.00 0.00 34.83 37.55 1com s MET 45 CO 0.00 -0.10 -0.05 -0.51 -0.65 0.00 0.00 175.02 173.72 1com s LEU 46 N 0.63 3.25 -0.07 4.11 1.43 -0.08 -2.25 118.68 125.70 1com s LEU 46 Ca -0.05 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 1com s LEU 46 Cb -0.07 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.42 1com s LEU 46 CO -0.03 0.29 -0.14 -0.76 0.23 0.00 0.00 176.35 175.94 1com s LEU 47 N -0.39 1.72 0.06 1.79 1.02 -0.62 -1.26 118.68 120.99 1com s LEU 47 Ca 0.06 -0.35 0.09 0.00 0.02 0.00 0.00 54.13 53.95 1com s LEU 47 Cb -0.12 -0.94 -0.03 0.00 0.02 0.00 0.00 46.19 45.12 1com s LEU 47 CO 0.02 0.05 -0.23 -0.94 0.02 0.00 0.00 176.35 175.28 1com s SER 48 N 0.64 3.49 0.03 2.29 1.04 0.00 -0.56 113.70 120.64 1com s SER 48 Ca -0.15 -0.55 0.05 0.00 0.48 0.00 0.00 55.95 55.78 1com s SER 48 Cb -0.16 -0.42 -0.02 0.00 0.10 0.00 0.00 66.02 65.52 1com s SER 48 CO 0.04 0.24 -0.14 0.00 0.98 0.00 0.00 173.24 174.36 1com s ALA 49 N -0.92 1.16 0.69 5.32 0.00 -1.03 -1.21 121.76 125.76 1com s ALA 49 Ca 0.14 -0.80 -0.14 0.00 0.00 0.00 0.00 51.96 51.15 1com s ALA 49 Cb -0.10 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.84 1com s ALA 49 CO 0.05 0.23 1.12 0.95 0.00 0.00 0.00 175.76 178.10 1com s THR 50 N -0.79 3.09 -1.09 0.00 -4.23 -0.82 -1.97 115.64 109.84 1com s THR 50 Ca 0.02 0.49 0.03 0.00 -1.18 0.00 0.00 61.69 61.06 1com s THR 50 Cb -0.08 -3.01 0.03 0.00 1.34 0.00 0.00 72.50 70.79 1com s THR 50 CO 0.01 -0.33 1.07 -2.65 -0.54 0.00 0.00 174.62 172.18 1com n PRO 51 N -2.60 0.01 0.00 3.99 -0.02 -1.26 -1.68 135.00 133.43 1com n PRO 51 Ca 0.11 0.40 0.14 0.00 -2.02 0.00 0.00 63.50 62.13 1com n PRO 51 Cb 0.52 -1.50 0.65 0.00 -0.02 0.00 0.00 33.50 33.15 1com n PRO 51 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1com n ASP 52 N -1.46 0.25 -4.43 2.55 5.68 -1.26 -4.80 116.55 113.09 1com n ASP 52 Ca 0.01 -0.30 -0.34 0.00 -0.50 0.00 0.00 54.79 53.66 1com n ASP 52 Cb 0.04 -0.17 -0.13 0.00 -1.14 0.00 0.00 41.12 39.72 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 -2.58 3.06 0.00 -2.12 1.43 -0.68 -4.92 118.68 112.87 1com s LEU 53 Ca 0.27 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1com s LEU 53 Cb 0.20 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.68 1com s LEU 53 CO 0.49 0.13 0.00 1.41 0.23 0.00 0.00 176.35 178.60 1com n HIS 54 N 3.82 0.00 -0.01 0.29 8.25 -1.26 -4.93 115.22 121.38 1com n HIS 54 Ca -0.18 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.19 1com n HIS 54 Cb 0.52 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.69 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 0.71 -2.31 -1.41 0.00 -1.89 -3.47 119.26 110.90 1com h ALA 55 Ca 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.43 1com h ALA 55 Cb 0.06 -0.09 -0.17 0.00 0.00 0.00 0.00 17.79 17.59 1com h ALA 55 CO 0.00 0.68 0.33 0.54 0.00 0.00 0.00 179.25 180.79 1com s VAL 56 N -4.07 0.00 0.08 0.00 0.11 -1.26 -4.77 120.40 110.49 1com s VAL 56 Ca -0.08 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.67 1com s VAL 56 Cb 0.11 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.89 1com s VAL 56 CO 0.84 0.00 1.50 -0.36 -3.33 0.00 0.00 175.10 173.75 1com s PHE 57 N -2.44 2.88 0.29 1.54 0.08 -1.26 -4.94 117.98 114.13 1com s PHE 57 Ca -0.02 0.68 0.27 0.00 0.12 0.00 0.00 56.93 57.98 1com s PHE 57 Cb -0.01 -3.80 1.25 0.00 -0.57 0.00 0.00 43.02 39.89 1com s PHE 57 CO -0.03 -2.99 1.97 -1.35 -0.10 0.00 0.00 175.22 172.72 1com h PRO 58 N 7.51 0.00 -0.85 0.24 0.11 -1.96 -2.45 132.00 134.61 1com h PRO 58 Ca -0.41 0.00 0.22 0.00 0.11 0.00 0.00 66.00 65.91 1com h PRO 58 Cb 1.20 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 1com h PRO 58 CO 0.90 0.16 0.58 0.00 -0.21 0.00 0.00 178.00 179.43 1com h ALA 59 N 1.84 2.46 -0.00 -0.75 0.00 -1.94 -1.01 119.26 119.86 1com h ALA 59 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1com h ALA 59 Cb 0.51 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1com h ALA 59 CO 0.02 -0.72 0.00 -0.22 0.00 0.00 0.00 179.25 178.33 1com h LYS 60 N 0.21 0.00 0.00 0.00 3.64 -1.85 -0.27 116.57 118.31 1com h LYS 60 Ca 0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1com h LYS 60 Cb 1.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1com h LYS 60 CO -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.09 1com h ALA 61 N 2.00 1.00 -0.69 5.00 0.00 -1.40 -2.90 119.26 122.27 1com h ALA 61 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1com h ALA 61 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1com h ALA 61 CO -0.00 0.00 0.31 0.28 0.00 0.00 0.00 179.25 179.84 1com h VAL 62 N 0.00 1.23 0.00 0.00 2.07 -1.20 -1.54 116.25 116.80 1com h VAL 62 Ca 0.00 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1com h VAL 62 Cb 0.74 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1com h VAL 62 CO 0.00 0.27 0.00 0.54 0.02 0.00 0.00 177.57 178.40 1com n ARG 63 N -4.32 0.07 -0.28 1.57 1.74 -1.09 -1.23 116.66 113.11 1com n ARG 63 Ca 0.06 0.48 0.08 0.00 -0.77 0.00 0.00 57.85 57.69 1com n ARG 63 Cb 0.15 -1.68 0.22 0.00 -1.02 0.00 0.00 32.46 30.13 1com n ARG 63 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1com n GLU 64 N -1.82 2.26 -3.86 5.56 2.13 -0.58 -4.73 120.64 119.61 1com n GLU 64 Ca 0.01 -1.78 -0.36 0.00 0.66 0.00 0.00 57.16 55.69 1com n GLU 64 Cb 0.08 -1.44 -0.13 0.00 0.27 0.00 0.00 31.44 30.22 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 -1.08 3.93 0.06 4.31 1.43 -0.36 -5.07 118.68 121.89 1com s LEU 65 Ca 0.33 -1.14 -0.31 0.00 -1.03 0.00 0.00 54.13 51.97 1com s LEU 65 Cb 0.18 -1.76 -0.10 0.00 0.03 0.00 0.00 46.19 44.53 1com s LEU 65 CO 0.21 -0.26 1.89 -1.20 0.23 0.00 0.00 176.35 177.22 1com n SER 66 N 4.70 3.95 0.00 2.29 7.64 -1.26 -1.13 113.62 129.81 1com n SER 66 Ca -0.13 0.96 0.00 0.00 1.01 0.00 0.00 58.87 60.70 1com n SER 66 Cb 0.44 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 1com n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1com n GLY 67 N 4.35 2.50 0.69 0.23 0.00 -1.26 -4.90 105.19 106.79 1com n GLY 67 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.67 0.50 0.30 1.61 7.02 -0.28 -4.17 117.44 120.75 1com n TRP 68 Ca 0.00 -0.25 0.11 0.00 -1.02 0.00 0.00 57.50 56.34 1com n TRP 68 Cb 0.00 -0.01 0.49 0.00 -2.42 0.00 0.00 31.31 29.37 1com n TRP 68 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1com n GLN 69 N 0.56 0.15 -0.00 -0.99 0.00 -1.26 -2.36 117.38 113.48 1com n GLN 69 Ca 0.12 0.49 0.09 0.00 0.00 0.00 0.00 57.00 57.70 1com n GLN 69 Cb 0.32 -1.86 0.08 0.00 0.00 0.00 0.00 30.24 28.78 1com n GLN 69 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1com n TYR 70 N -2.16 0.01 -2.58 2.61 4.01 -1.26 -4.95 117.16 112.83 1com n TYR 70 Ca 0.01 -0.01 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 1com n TYR 70 Cb 0.15 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.15 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 -1.47 4.53 -0.04 -0.72 1.01 -1.00 -5.00 120.40 117.72 1com s VAL 71 Ca 0.21 1.82 -0.26 0.00 0.00 0.00 0.00 61.98 63.75 1com s VAL 71 Cb 0.15 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1com s VAL 71 CO 0.22 0.03 0.83 -2.16 0.00 0.00 0.00 175.10 174.01 1com s PRO 72 N 1.92 4.49 0.06 2.72 0.04 -1.26 -4.96 135.00 138.01 1com s PRO 72 Ca 0.52 1.12 0.05 0.00 0.04 0.00 0.00 61.00 62.73 1com s PRO 72 Cb -0.22 -3.45 -0.03 0.00 0.04 0.00 0.00 34.50 30.84 1com s PRO 72 CO 0.21 0.01 -0.13 0.14 0.04 0.00 0.00 177.00 177.27 1com s VAL 73 N 0.89 1.05 0.00 -0.36 -7.23 -1.26 -0.40 120.40 113.09 1com s VAL 73 Ca 0.44 -1.15 -0.10 0.00 -1.81 0.00 0.00 61.98 59.36 1com s VAL 73 Cb -0.19 -0.99 0.01 0.00 0.56 0.00 0.00 36.38 35.76 1com s VAL 73 CO 0.23 -0.15 0.20 0.28 -0.31 0.00 0.00 175.10 175.35 1com s THR 74 N -1.10 0.08 0.22 5.32 -1.32 -0.95 -4.97 115.64 112.91 1com s THR 74 Ca -0.01 -0.64 0.05 0.00 -1.21 0.00 0.00 61.69 59.87 1com s THR 74 Cb -0.09 -0.55 -0.03 0.00 -1.51 0.00 0.00 72.50 70.32 1com s THR 74 CO 0.02 -0.35 0.34 0.00 -2.21 0.00 0.00 174.62 172.41 1com s MET 76 N -3.82 1.01 -0.15 0.00 0.23 0.28 -4.89 119.30 111.96 1com s MET 76 Ca 0.34 -0.74 -0.20 0.00 -1.03 0.00 0.00 55.69 54.06 1com s MET 76 Cb -0.09 0.44 -0.03 0.00 -1.53 0.00 0.00 34.83 33.61 1com s MET 76 CO 0.29 -0.38 0.56 -1.14 -2.03 0.00 0.00 175.02 172.31 1com s GLN 77 N -3.75 4.28 0.45 3.16 0.74 -1.26 -2.47 119.66 120.81 1com s GLN 77 Ca 0.03 0.54 -0.22 0.00 0.05 0.00 0.00 55.36 55.77 1com s GLN 77 Cb 0.02 -3.51 -0.09 0.00 1.10 0.00 0.00 33.01 30.54 1com s GLN 77 CO -0.11 -0.04 1.03 -2.00 -0.55 0.00 0.00 175.29 173.62 1com s GLU 78 N 1.24 3.98 0.49 1.67 2.56 -0.83 -4.90 118.70 122.90 1com s GLU 78 Ca 0.28 1.37 -0.21 0.00 0.00 0.00 0.00 54.97 56.41 1com s GLU 78 Cb -0.16 -2.25 -0.07 0.00 2.00 0.00 0.00 34.13 33.66 1com s GLU 78 CO 0.11 -0.28 1.14 0.00 -0.56 0.00 0.00 175.26 175.67 1com s MET 79 N -2.99 3.61 -0.60 4.30 0.23 -1.26 -4.47 119.30 118.11 1com s MET 79 Ca 0.64 1.67 -0.24 0.00 -1.03 0.00 0.00 55.69 56.72 1com s MET 79 Cb -0.17 -2.22 0.05 0.00 -1.53 0.00 0.00 34.83 30.96 1com s MET 79 CO 0.21 -0.65 0.99 0.34 -2.03 0.00 0.00 175.02 173.88 1com s ASP 80 N -1.59 6.29 -0.09 -1.18 2.15 -1.26 -4.91 116.67 116.09 1com s ASP 80 Ca 0.68 -0.50 -0.02 0.00 0.43 0.00 0.00 52.55 53.14 1com s ASP 80 Cb -0.25 -2.45 -0.03 0.00 -0.30 0.00 0.00 42.92 39.88 1com s ASP 80 CO 0.30 -1.35 0.01 -0.69 -0.17 0.00 0.00 175.17 173.26 1com s VAL 81 N 4.20 4.35 -0.07 1.11 1.01 -1.26 -5.06 120.40 124.68 1com s VAL 81 Ca 0.29 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 1com s VAL 81 Cb -0.13 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 1com s VAL 81 CO 0.17 0.60 1.61 -0.89 0.00 0.00 0.00 175.10 176.59 1com s THR 82 N -0.89 3.66 0.00 3.92 2.01 -1.26 -1.82 115.64 121.26 1com s THR 82 Ca 0.13 0.80 0.00 0.00 0.31 0.00 0.00 61.69 62.93 1com s THR 82 Cb -0.11 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 68.88 1com s THR 82 CO 0.02 -0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.49 1com n GLY 83 N 4.09 0.94 3.79 4.40 0.00 -1.26 -5.04 105.19 112.11 1com n GLY 83 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.87 1.91 0.17 -0.02 0.00 -0.76 -4.93 107.32 101.82 1com s GLY 84 Ca 0.00 0.33 -0.34 0.00 0.00 0.00 0.00 44.72 44.72 1com s GLY 84 CO 0.00 0.67 1.60 -0.10 0.00 0.00 0.00 173.10 175.27 1com n LEU 85 N -2.78 3.22 -4.88 0.66 7.94 -1.26 -4.95 117.00 114.95 1com n LEU 85 Ca 0.09 1.08 -0.30 0.00 -1.11 0.00 0.00 56.01 55.77 1com n LEU 85 Cb 0.53 -1.45 -0.04 0.00 0.53 0.00 0.00 43.42 42.99 1com n LEU 85 CO 0.51 -0.22 0.36 -0.54 -1.11 0.00 0.00 177.39 176.39 1com s LYS 86 N 0.97 3.78 -1.23 1.96 -0.14 -1.26 -4.40 119.74 119.43 1com s LYS 86 Ca 0.78 0.37 -0.06 0.00 -1.36 0.00 0.00 55.97 55.71 1com s LYS 86 Cb -0.65 -2.48 -0.01 0.00 -1.68 0.00 0.00 37.83 33.00 1com s LYS 86 CO 0.37 0.08 0.76 1.63 -0.76 0.00 0.00 175.35 177.43 1com n LYS 87 N -0.97 -3.63 -4.78 1.68 5.02 -1.26 -4.83 118.16 109.39 1com n LYS 87 Ca 0.01 0.62 -0.25 0.00 -2.02 0.00 0.00 58.31 56.67 1com n LYS 87 Cb 0.54 -5.04 -0.16 0.00 -0.02 0.00 0.00 35.03 30.35 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 0.08 4.25 0.06 0.00 1.01 -0.34 -1.94 121.20 124.32 1com s ILE 89 Ca -0.04 -0.22 0.09 0.00 0.00 0.00 0.00 60.65 60.49 1com s ILE 89 Cb -0.11 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 1com s ILE 89 CO 0.02 0.44 -0.26 -0.13 0.00 0.00 0.00 174.94 175.01 1com s ARG 90 N 0.73 1.76 0.03 2.79 0.52 -0.35 -0.52 118.95 123.91 1com s ARG 90 Ca 0.01 -1.14 0.07 0.00 -0.52 0.00 0.00 55.73 54.15 1com s ARG 90 Cb -0.14 -1.97 -0.02 0.00 0.52 0.00 0.00 34.95 33.33 1com s ARG 90 CO 0.02 0.50 -0.20 0.54 0.02 0.00 0.00 175.30 176.19 1com s VAL 91 N -0.84 1.58 -0.24 3.52 0.11 -0.57 -0.82 120.40 123.15 1com s VAL 91 Ca 0.12 -1.10 -0.01 0.00 -2.93 0.00 0.00 61.98 58.06 1com s VAL 91 Cb -0.10 -1.37 0.07 0.00 -1.53 0.00 0.00 36.38 33.45 1com s VAL 91 CO 0.03 0.23 0.02 -0.32 -3.33 0.00 0.00 175.10 171.73 1com s MET 92 N -1.03 1.02 -0.30 1.54 0.00 -0.39 -2.23 119.30 117.90 1com s MET 92 Ca 0.07 -0.81 -0.07 0.00 0.00 0.00 0.00 55.69 54.88 1com s MET 92 Cb -0.08 -2.28 0.01 0.00 0.00 0.00 0.00 34.83 32.48 1com s MET 92 CO 0.01 -0.72 0.09 1.41 0.00 0.00 0.00 175.02 175.81 1com s MET 93 N 1.62 3.02 -0.22 4.11 1.75 -0.16 -0.91 119.30 128.51 1com s MET 93 Ca 0.00 -0.91 -0.25 0.00 -1.25 0.00 0.00 55.69 53.28 1com s MET 93 Cb -0.18 -3.40 -0.01 0.00 2.84 0.00 0.00 34.83 34.09 1com s MET 93 CO -0.11 -0.48 0.86 0.99 -0.65 0.00 0.00 175.02 175.62 1com s THR 94 N 1.49 4.83 0.15 10.11 2.01 -0.53 -0.93 115.64 132.76 1com s THR 94 Ca 0.02 1.65 0.08 0.00 0.31 0.00 0.00 61.69 63.74 1com s THR 94 Cb -0.18 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.15 1com s THR 94 CO 0.03 -0.06 -0.17 0.68 -0.69 0.00 0.00 174.62 174.41 1com s VAL 95 N 2.68 1.65 -0.09 3.82 -7.23 -0.51 -0.81 120.40 119.91 1com s VAL 95 Ca 0.37 -1.84 -0.26 0.00 -1.81 0.00 0.00 61.98 58.43 1com s VAL 95 Cb -0.16 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.02 1com s VAL 95 CO 0.09 -0.35 0.85 -1.58 -0.31 0.00 0.00 175.10 173.80 1com s GLN 96 N -2.75 4.41 0.13 4.82 0.74 0.62 -0.90 119.66 126.74 1com s GLN 96 Ca 0.13 1.11 -0.24 0.00 0.05 0.00 0.00 55.36 56.41 1com s GLN 96 Cb -0.05 -3.51 0.07 0.00 1.10 0.00 0.00 33.01 30.62 1com s GLN 96 CO 0.05 -0.15 0.63 -0.08 -0.55 0.00 0.00 175.29 175.20 1com s THR 97 N 1.47 0.00 -0.05 -0.34 -1.32 0.31 -4.93 115.64 110.78 1com s THR 97 Ca 0.42 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 61.02 1com s THR 97 Cb -0.18 -1.00 -0.17 0.00 -1.51 0.00 0.00 72.50 69.64 1com s THR 97 CO 0.18 0.00 0.18 -0.67 -2.21 0.00 0.00 174.62 172.10 1com n ASP 98 N -0.26 2.28 -4.74 8.08 2.03 -1.26 -2.47 116.55 120.21 1com n ASP 98 Ca -0.16 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.73 1com n ASP 98 Cb 0.64 1.26 -0.01 0.00 -0.72 0.00 0.00 41.12 42.29 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 -2.10 1.42 -1.81 5.18 0.31 -1.26 -4.94 118.33 115.14 1com n VAL 99 Ca -0.08 -0.35 -0.38 0.00 -0.01 0.00 0.00 64.34 63.51 1com n VAL 99 Cb 0.51 -1.87 0.04 0.00 -0.91 0.00 0.00 33.84 31.61 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 -1.13 3.21 0.36 5.55 0.04 -1.26 -4.88 135.00 136.89 1com s PRO 100 Ca 0.60 2.23 0.15 0.00 0.04 0.00 0.00 61.00 64.01 1com s PRO 100 Cb -0.51 -2.29 1.01 0.00 0.04 0.00 0.00 34.50 32.75 1com s PRO 100 CO 0.55 -1.13 1.74 0.37 0.04 0.00 0.00 177.00 178.57 1com h GLN 101 N 1.55 0.45 0.00 4.56 4.15 -1.99 0.24 115.11 124.08 1com h GLN 101 Ca -0.51 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.88 1com h GLN 101 Cb 1.29 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1com h GLN 101 CO 0.58 0.30 0.00 -0.40 -1.93 0.00 0.00 178.83 177.38 1com n ASP 102 N -4.77 0.00 0.00 -0.69 5.75 -1.26 -3.14 116.55 112.44 1com n ASP 102 Ca 0.27 -1.79 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 1com n ASP 102 Cb 0.84 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.93 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 -0.54 0.91 -2.27 0.11 6.02 0.84 -5.02 117.38 117.43 1com n GLN 103 Ca 0.02 -0.84 -0.41 0.00 -0.01 0.00 0.00 57.00 55.75 1com n GLN 103 Cb 0.01 -0.85 -0.03 0.00 1.02 0.00 0.00 30.24 30.38 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 -0.40 3.30 -0.66 5.09 -1.09 -1.19 -4.96 121.20 121.29 1com s ILE 104 Ca 0.00 1.10 -0.16 0.00 -2.23 0.00 0.00 60.65 59.36 1com s ILE 104 Cb 0.00 -3.70 0.16 0.00 -1.58 0.00 0.00 42.46 37.34 1com s ILE 104 CO 0.00 0.18 0.64 -0.13 -1.23 0.00 0.00 174.94 174.40 1com s ARG 105 N -0.31 3.23 0.26 2.79 1.81 -1.26 -5.03 118.95 120.43 1com s ARG 105 Ca 0.54 -1.92 -0.27 0.00 -1.72 0.00 0.00 55.73 52.37 1com s ARG 105 Cb -0.35 -4.36 -0.09 0.00 -0.45 0.00 0.00 34.95 29.69 1com s ARG 105 CO 0.39 -1.36 0.89 -1.01 -0.68 0.00 0.00 175.30 173.53 1com s HIS 106 N 1.29 3.83 -0.04 -0.53 3.76 -1.26 -4.80 115.29 117.53 1com s HIS 106 Ca 0.10 1.77 0.06 0.00 -0.15 0.00 0.00 55.06 56.84 1com s HIS 106 Cb -0.21 -2.89 -0.02 0.00 1.11 0.00 0.00 32.58 30.57 1com s HIS 106 CO -0.01 0.36 -0.22 0.08 -0.85 0.00 0.00 174.74 174.10 1com s VAL 107 N -1.38 2.37 -0.14 -0.90 1.01 -0.32 -4.96 120.40 116.08 1com s VAL 107 Ca 0.44 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 1com s VAL 107 Cb -0.22 -1.87 0.04 0.00 0.00 0.00 0.00 36.38 34.33 1com s VAL 107 CO 0.27 0.58 -0.01 -0.31 0.00 0.00 0.00 175.10 175.63 1com s TYR 108 N -0.50 1.13 0.34 5.22 2.02 -1.26 -1.77 117.35 122.52 1com s TYR 108 Ca 0.06 -0.67 0.06 0.00 -0.37 0.00 0.00 57.07 56.15 1com s TYR 108 Cb -0.11 -1.05 -0.07 0.00 -0.40 0.00 0.00 41.96 40.34 1com s TYR 108 CO 0.01 -0.51 0.00 -0.51 -1.57 0.00 0.00 175.55 172.97 1com s LEU 109 N 1.82 2.49 0.00 -1.29 1.43 0.07 -4.33 118.68 118.88 1com s LEU 109 Ca 0.02 -1.31 0.00 0.00 -1.03 0.00 0.00 54.13 51.81 1com s LEU 109 Cb -0.14 -0.64 0.00 0.00 0.03 0.00 0.00 46.19 45.44 1com s LEU 109 CO -0.07 -0.46 0.00 -0.62 0.23 0.00 0.00 176.35 175.43 1com n GLU 110 N -0.74 0.00 0.00 1.70 -0.58 -1.26 -1.50 120.64 118.26 1com n GLU 110 Ca -0.04 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.84 1com n GLU 110 Cb 0.66 0.00 0.63 0.00 -0.57 0.00 0.00 31.44 32.15 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 0.05 0.00 3.49 5.02 -1.26 -3.29 118.16 136.17 1com n LYS 111 Ca 0.00 -0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 1com n LYS 111 Cb 0.00 -1.50 0.65 0.00 -0.02 0.00 0.00 35.03 34.16 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 -1.47 2.29 0.29 7.82 0.00 -0.56 -2.68 120.51 126.19 1com n ALA 112 Ca 0.08 -0.13 0.16 0.00 0.00 0.00 0.00 53.44 53.55 1com n ALA 112 Cb 0.33 -1.39 0.77 0.00 0.00 0.00 0.00 19.45 19.15 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 0.06 0.00 0.00 -1.51 -1.68 0.01 116.25 113.13 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 0.14 0.63 0.00 0.00 -2.13 0.00 0.00 31.29 29.93 1com h VAL 113 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 177.57 176.86 1com n VAL 114 N -3.01 0.00 -0.19 7.19 0.31 -1.09 -5.06 118.33 116.48 1com n VAL 114 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1com n VAL 114 Cb 0.46 -0.16 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 1com n VAL 114 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69