#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 1.68 0.04 2.02 -4.36 -1.26 -1.79 121.20 117.52 1com s ILE 3 Ca 0.00 -1.21 -0.01 0.00 -0.26 0.00 0.00 60.65 59.17 1com s ILE 3 Cb 0.00 -1.46 -0.03 0.00 1.25 0.00 0.00 42.46 42.22 1com s ILE 3 CO 0.00 0.20 -0.01 -0.13 0.24 0.00 0.00 174.94 175.24 1com s ARG 4 N -1.20 0.49 -0.06 0.37 0.52 0.11 -4.88 118.95 114.30 1com s ARG 4 Ca 0.07 -0.92 -0.19 0.00 -0.52 0.00 0.00 55.73 54.18 1com s ARG 4 Cb -0.09 0.18 -0.05 0.00 0.52 0.00 0.00 34.95 35.51 1com s ARG 4 CO 0.02 -0.09 0.51 0.20 0.02 0.00 0.00 175.30 175.96 1com s GLY 5 N -2.25 2.48 -0.26 -3.53 0.00 -1.26 -0.84 107.32 101.67 1com s GLY 5 Ca -0.04 -0.11 0.02 0.00 0.00 0.00 0.00 44.72 44.60 1com s GLY 5 CO -0.06 0.69 -0.10 -0.42 0.00 0.00 0.00 173.10 173.21 1com s ILE 6 N 0.12 2.25 0.47 0.90 1.01 0.02 -4.95 121.20 121.03 1com s ILE 6 Ca 0.28 -1.60 -0.21 0.00 0.00 0.00 0.00 60.65 59.12 1com s ILE 6 Cb -0.16 -2.32 -0.09 0.00 0.01 0.00 0.00 42.46 39.90 1com s ILE 6 CO 0.13 -0.03 1.01 -0.13 0.00 0.00 0.00 174.94 175.93 1com s ARG 7 N 1.12 3.94 0.07 2.79 1.81 -1.26 -0.85 118.95 126.57 1com s ARG 7 Ca -0.08 1.29 -0.20 0.00 -1.72 0.00 0.00 55.73 55.02 1com s ARG 7 Cb -0.20 -2.13 0.04 0.00 -0.45 0.00 0.00 34.95 32.22 1com s ARG 7 CO -0.05 -0.30 0.47 0.20 -0.68 0.00 0.00 175.30 174.94 1com s GLY 8 N -2.03 -0.36 -0.20 -3.53 0.00 -1.08 -2.12 107.32 98.00 1com s GLY 8 Ca 0.65 0.34 -0.27 0.00 0.00 0.00 0.00 44.72 45.44 1com s GLY 8 CO 0.18 0.06 0.88 0.00 0.00 0.00 0.00 173.10 174.23 1com s ALA 9 N -2.90 -1.88 0.12 3.20 0.00 -0.87 -0.85 121.76 118.58 1com s ALA 9 Ca -0.03 1.73 -0.24 0.00 0.00 0.00 0.00 51.96 53.42 1com s ALA 9 Cb -0.00 -0.92 0.07 0.00 0.00 0.00 0.00 23.12 22.28 1com s ALA 9 CO -0.05 -0.30 0.64 -0.08 0.00 0.00 0.00 175.76 175.97 1com s THR 10 N -0.35 0.00 0.13 0.00 -1.32 -0.69 -1.21 115.64 112.20 1com s THR 10 Ca -0.02 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.55 1com s THR 10 Cb -0.03 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.92 1com s THR 10 CO 0.01 0.00 -0.20 0.42 -2.21 0.00 0.00 174.62 172.63 1com s THR 11 N -3.41 1.79 0.36 5.08 -4.23 -1.26 -0.54 115.64 113.43 1com s THR 11 Ca 0.00 -1.69 0.07 0.00 -1.18 0.00 0.00 61.69 58.90 1com s THR 11 Cb -0.01 -1.69 -0.01 0.00 1.34 0.00 0.00 72.50 72.13 1com s THR 11 CO -0.10 -0.14 0.41 0.68 -0.54 0.00 0.00 174.62 174.93 1com s VAL 12 N -1.46 3.46 -0.24 2.29 -7.23 -0.30 -4.66 120.40 112.26 1com s VAL 12 Ca 0.10 -1.18 -0.00 0.00 -1.81 0.00 0.00 61.98 59.09 1com s VAL 12 Cb -0.09 -3.19 -0.18 0.00 0.56 0.00 0.00 36.38 33.48 1com s VAL 12 CO 0.05 -0.11 -0.16 -0.62 -0.31 0.00 0.00 175.10 173.95 1com n GLU 13 N -1.57 0.66 -4.41 4.82 -0.58 -1.26 -4.87 120.64 113.43 1com n GLU 13 Ca 0.01 0.17 -0.22 0.00 -0.42 0.00 0.00 57.16 56.71 1com n GLU 13 Cb 0.59 -1.54 -0.10 0.00 -0.57 0.00 0.00 31.44 29.82 1com n GLU 13 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1com s ARG 14 N -2.52 1.51 -1.21 3.49 0.52 -1.26 -5.06 118.95 114.42 1com s ARG 14 Ca -0.34 -1.66 -0.12 0.00 -0.52 0.00 0.00 55.73 53.09 1com s ARG 14 Cb 0.09 -1.50 0.19 0.00 0.52 0.00 0.00 34.95 34.25 1com s ARG 14 CO 0.61 0.28 1.47 -3.47 0.02 0.00 0.00 175.30 174.21 1com n ASP 15 N -0.40 5.27 -4.41 0.23 2.03 -1.26 -4.66 116.55 113.35 1com n ASP 15 Ca -0.07 -3.02 -0.21 0.00 0.52 0.00 0.00 54.79 52.01 1com n ASP 15 Cb 0.60 -1.53 -0.10 0.00 -0.72 0.00 0.00 41.12 39.37 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 0.93 1.97 0.14 5.18 -4.23 -1.26 -4.58 115.64 113.79 1com s THR 16 Ca 0.41 -2.25 -0.17 0.00 -1.18 0.00 0.00 61.69 58.49 1com s THR 16 Cb -0.01 -2.24 -0.01 0.00 1.34 0.00 0.00 72.50 71.58 1com s THR 16 CO -0.00 -0.46 1.78 -0.08 -0.54 0.00 0.00 174.62 175.32 1com h GLU 17 N 2.39 0.36 -0.31 3.99 4.81 -1.94 -0.70 114.58 123.18 1com h GLU 17 Ca -0.39 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 1com h GLU 17 Cb 1.24 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1com h GLU 17 CO 0.63 0.24 0.16 1.49 -0.73 0.00 0.00 179.01 180.80 1com h GLU 18 N 0.37 0.44 -0.29 1.92 4.81 -1.97 0.26 114.58 120.12 1com h GLU 18 Ca 0.13 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 1com h GLU 18 Cb 0.01 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1com h GLU 18 CO -0.07 0.38 -0.18 1.49 -0.73 0.00 0.00 179.01 179.91 1com h GLU 19 N 0.37 0.64 -0.13 1.92 4.57 -1.86 -0.16 114.58 119.92 1com h GLU 19 Ca 0.11 -0.30 -0.03 0.00 -1.18 0.00 0.00 59.36 57.96 1com h GLU 19 Cb 0.08 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1com h GLU 19 CO -0.02 0.89 -0.04 0.82 -1.18 0.00 0.00 179.01 179.48 1com h ILE 20 N 0.38 1.30 -0.58 2.32 2.04 -1.02 -2.23 117.51 119.72 1com h ILE 20 Ca 0.06 -1.00 -0.11 0.00 1.00 0.00 0.00 64.86 64.81 1com h ILE 20 Cb 0.72 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 1com h ILE 20 CO 0.05 0.29 -0.05 -0.07 0.00 0.00 0.00 178.15 178.37 1com h LEU 21 N -0.05 1.05 0.30 1.44 3.38 -0.99 -1.71 115.31 118.72 1com h LEU 21 Ca 0.03 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1com h LEU 21 Cb 0.47 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1com h LEU 21 CO 0.01 1.12 -0.26 -0.61 0.09 0.00 0.00 178.44 178.79 1com h GLN 22 N 0.95 -0.56 0.00 1.13 4.15 -0.96 -0.52 115.11 119.30 1com h GLN 22 Ca 0.16 0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.50 1com h GLN 22 Cb 0.62 0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 1com h GLN 22 CO 0.04 -0.37 -0.54 0.87 -1.93 0.00 0.00 178.83 176.90 1com h LYS 23 N -0.58 0.00 -0.31 1.69 1.79 -1.45 -1.26 116.57 116.46 1com h LYS 23 Ca -0.02 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.29 1com h LYS 23 Cb 0.52 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1com h LYS 23 CO -0.04 0.54 -0.45 1.15 -1.08 0.00 0.00 179.45 179.58 1com h THR 24 N 0.00 1.28 -0.54 -0.16 2.02 -1.12 -1.60 112.91 112.80 1com h THR 24 Ca -0.01 -1.63 -0.08 0.00 0.77 0.00 0.00 66.41 65.47 1com h THR 24 Cb 0.98 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.95 1com h THR 24 CO 0.07 0.53 0.02 0.50 0.37 0.00 0.00 175.52 177.01 1com h LYS 25 N 0.62 0.90 -0.78 6.66 3.64 -0.92 -0.89 116.57 125.80 1com h LYS 25 Ca 0.03 -0.25 0.06 0.00 -1.27 0.00 0.00 60.65 59.22 1com h LYS 25 Cb 1.05 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.71 1com h LYS 25 CO 0.10 0.88 0.47 1.96 -2.27 0.00 0.00 179.45 180.60 1com h GLN 26 N 0.84 0.85 -0.37 1.90 4.20 -1.10 -1.16 115.11 120.25 1com h GLN 26 Ca 0.16 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 1com h GLN 26 Cb 0.47 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1com h GLN 26 CO 0.02 0.56 -0.02 1.25 -0.67 0.00 0.00 178.83 179.97 1com h LEU 27 N 0.87 0.67 -0.25 1.46 5.85 -0.17 -2.61 115.31 121.12 1com h LEU 27 Ca 0.34 -0.32 -0.15 0.00 0.84 0.00 0.00 57.88 58.58 1com h LEU 27 Cb 0.15 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1com h LEU 27 CO -0.17 0.83 -0.43 -0.07 -0.34 0.00 0.00 178.44 178.26 1com h LEU 28 N 0.49 0.82 -1.16 2.25 3.38 -0.97 -1.54 115.31 118.57 1com h LEU 28 Ca 0.10 -0.53 0.13 0.00 0.09 0.00 0.00 57.88 57.68 1com h LEU 28 Cb 0.50 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 1com h LEU 28 CO 0.02 1.19 0.60 -0.33 0.09 0.00 0.00 178.44 180.01 1com h GLU 29 N 0.47 0.81 -0.15 1.13 5.08 -1.20 -0.83 114.58 119.88 1com h GLU 29 Ca 0.02 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1com h GLU 29 Cb 1.03 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 1com h GLU 29 CO 0.10 0.53 -0.23 -0.22 -1.00 0.00 0.00 179.01 178.20 1com h LYS 30 N 0.83 0.43 -0.52 2.33 1.63 -1.04 -0.28 116.57 119.94 1com h LYS 30 Ca 0.47 -0.25 0.03 0.00 -0.85 0.00 0.00 60.65 60.04 1com h LYS 30 Cb 0.60 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.22 1com h LYS 30 CO -0.23 0.84 0.31 0.82 -3.45 0.00 0.00 179.45 177.74 1com h ILE 31 N 0.05 1.04 0.06 2.00 2.04 -0.40 -1.19 117.51 121.11 1com h ILE 31 Ca 0.02 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.67 1com h ILE 31 Cb 0.79 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1com h ILE 31 CO 0.05 0.11 -0.10 0.40 0.00 0.00 0.00 178.15 178.62 1com h ILE 32 N 0.61 0.76 0.26 -0.67 2.04 -1.03 -0.45 117.51 119.03 1com h ILE 32 Ca 0.21 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.08 1com h ILE 32 Cb 0.03 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1com h ILE 32 CO -0.10 0.00 -0.32 -0.08 0.00 0.00 0.00 178.15 177.65 1com h GLU 33 N -0.20 -0.60 -0.82 2.37 4.81 -0.64 0.59 114.58 120.09 1com h GLU 33 Ca 0.02 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1com h GLU 33 Cb 0.21 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.68 1com h GLU 33 CO -0.06 -0.40 0.54 0.93 -0.73 0.00 0.00 179.01 179.29 1com h GLU 34 N -0.62 0.87 -0.01 1.92 4.39 -1.05 -3.07 114.58 117.01 1com h GLU 34 Ca -0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1com h GLU 34 Cb 0.59 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1com h GLU 34 CO -0.10 0.58 -0.06 0.09 -1.16 0.00 0.00 179.01 178.36 1com n ASN 35 N -4.48 1.65 -3.01 1.42 3.02 -0.20 -4.87 115.26 108.79 1com n ASN 35 Ca 0.12 -1.33 -0.22 0.00 -0.03 0.00 0.00 54.58 53.12 1com n ASN 35 Cb 0.21 0.14 0.04 0.00 -0.61 0.00 0.00 39.78 39.56 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 0.33 -2.01 -1.87 3.10 8.25 0.20 -4.94 115.22 118.28 1com n HIS 36 Ca 0.05 0.55 -0.42 0.00 -0.26 0.00 0.00 57.72 57.65 1com n HIS 36 Cb 0.24 -4.52 -0.03 0.00 1.12 0.00 0.00 29.99 26.80 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 -3.19 2.52 -0.15 1.59 2.01 -1.14 -5.03 115.64 112.26 1com s THR 37 Ca 0.32 0.32 -0.08 0.00 0.31 0.00 0.00 61.69 62.57 1com s THR 37 Cb -0.14 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 1com s THR 37 CO 0.40 0.02 0.12 -0.54 -0.69 0.00 0.00 174.62 173.93 1com s LYS 38 N 1.41 3.69 0.24 4.92 -0.14 -1.26 -4.95 119.74 123.65 1com s LYS 38 Ca 0.72 -0.20 -0.07 0.00 -1.36 0.00 0.00 55.97 55.06 1com s LYS 38 Cb -0.45 -3.23 0.42 0.00 -1.68 0.00 0.00 37.83 32.89 1com s LYS 38 CO 0.32 0.58 1.63 -1.00 -0.76 0.00 0.00 175.35 176.12 1com h PRO 39 N 5.67 0.08 0.00 -1.68 0.13 -1.95 0.06 132.00 134.30 1com h PRO 39 Ca -0.49 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1com h PRO 39 Cb 1.20 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1com h PRO 39 CO 0.64 0.05 0.00 -0.85 -0.23 0.00 0.00 178.00 177.62 1com n GLU 40 N -5.37 0.39 -0.15 0.86 0.00 -1.26 -1.40 120.64 113.71 1com n GLU 40 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 57.16 57.39 1com n GLU 40 Cb 0.47 -1.43 0.17 0.00 0.00 0.00 0.00 31.44 30.65 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 -0.93 3.11 -4.56 -1.84 8.00 0.01 -4.87 116.55 115.46 1com n ASP 41 Ca 0.08 -1.90 -0.39 0.00 0.71 0.00 0.00 54.79 53.28 1com n ASP 41 Cb 0.04 -0.20 -0.10 0.00 -0.02 0.00 0.00 41.12 40.83 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 -1.31 5.27 0.04 2.53 1.01 -0.50 -0.02 120.40 127.43 1com s VAL 42 Ca 0.31 0.01 -0.25 0.00 0.00 0.00 0.00 61.98 62.05 1com s VAL 42 Cb 0.19 -3.66 -0.17 0.00 0.00 0.00 0.00 36.38 32.74 1com s VAL 42 CO 0.26 0.09 1.52 0.58 0.00 0.00 0.00 175.10 177.54 1com h VAL 43 N 5.45 0.98 -1.36 2.92 2.07 -0.73 -3.45 116.25 122.13 1com h VAL 43 Ca -0.32 -0.40 0.33 0.00 0.82 0.00 0.00 66.70 67.12 1com h VAL 43 Cb 1.17 1.24 -0.14 0.00 -1.52 0.00 0.00 31.29 32.04 1com h VAL 43 CO 0.61 0.10 0.86 0.00 0.02 0.00 0.00 177.57 179.16 1com s GLN 44 N -5.41 0.30 -0.02 1.57 -2.07 -1.18 -4.48 119.66 108.37 1com s GLN 44 Ca -0.14 -0.16 -0.03 0.00 -1.82 0.00 0.00 55.36 53.21 1com s GLN 44 Cb 0.04 0.11 0.01 0.00 -1.09 0.00 0.00 33.01 32.07 1com s GLN 44 CO 0.64 -0.14 0.07 1.41 -1.32 0.00 0.00 175.29 175.95 1com s MET 45 N -2.34 0.12 -0.03 9.60 1.75 -0.15 -0.32 119.30 127.93 1com s MET 45 Ca 0.13 0.03 0.07 0.00 -1.25 0.00 0.00 55.69 54.67 1com s MET 45 Cb 0.04 0.06 -0.02 0.00 2.84 0.00 0.00 34.83 37.75 1com s MET 45 CO -0.04 -0.02 -0.25 -0.51 -0.65 0.00 0.00 175.02 173.55 1com s LEU 46 N -0.14 2.10 -0.07 4.11 1.43 -0.10 -2.40 118.68 123.61 1com s LEU 46 Ca -0.02 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1com s LEU 46 Cb -0.02 -1.36 0.02 0.00 0.03 0.00 0.00 46.19 44.86 1com s LEU 46 CO 0.00 0.31 -0.10 -0.76 0.23 0.00 0.00 176.35 176.03 1com s LEU 47 N -0.54 1.53 0.12 1.79 1.02 -0.81 -0.70 118.68 121.10 1com s LEU 47 Ca 0.08 -0.27 0.08 0.00 0.02 0.00 0.00 54.13 54.04 1com s LEU 47 Cb -0.11 -0.77 -0.04 0.00 0.02 0.00 0.00 46.19 45.30 1com s LEU 47 CO -0.00 -0.00 -0.14 -0.94 0.02 0.00 0.00 176.35 175.29 1com s SER 48 N 0.85 4.12 0.08 2.29 1.04 -0.69 -1.95 113.70 119.44 1com s SER 48 Ca -0.11 -0.51 0.06 0.00 0.48 0.00 0.00 55.95 55.87 1com s SER 48 Cb -0.15 -0.67 -0.03 0.00 0.10 0.00 0.00 66.02 65.26 1com s SER 48 CO 0.01 0.16 -0.17 0.00 0.98 0.00 0.00 173.24 174.23 1com s ALA 49 N -1.27 1.39 0.66 5.32 0.00 -1.07 -1.48 121.76 125.32 1com s ALA 49 Ca 0.20 -1.07 -0.15 0.00 0.00 0.00 0.00 51.96 50.95 1com s ALA 49 Cb -0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 1com s ALA 49 CO 0.12 0.24 1.10 0.95 0.00 0.00 0.00 175.76 178.18 1com s THR 50 N -1.19 3.32 -1.48 0.00 -4.23 -0.77 -1.41 115.64 109.89 1com s THR 50 Ca 0.01 0.60 0.12 0.00 -1.18 0.00 0.00 61.69 61.24 1com s THR 50 Cb -0.10 -3.12 0.22 0.00 1.34 0.00 0.00 72.50 70.84 1com s THR 50 CO 0.03 -0.39 1.29 -0.81 -0.54 0.00 0.00 174.62 174.19 1com n PRO 51 N -2.45 0.19 0.09 3.99 -0.04 -1.26 -1.77 135.00 133.75 1com n PRO 51 Ca 0.10 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.84 1com n PRO 51 Cb 0.52 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.73 1com n PRO 51 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1com h ASP 52 N 0.00 0.00 -3.51 3.54 3.04 -1.98 -3.45 116.42 114.06 1com h ASP 52 Ca 0.00 -0.11 -0.61 0.00 -3.24 0.00 0.00 57.03 53.07 1com h ASP 52 Cb 0.10 0.00 -0.12 0.00 -1.04 0.00 0.00 39.33 38.27 1com h ASP 52 CO 0.00 0.06 -0.24 -0.76 -2.04 0.00 0.00 179.24 176.26 1com s LEU 53 N -4.49 4.14 0.00 0.15 1.43 -0.73 -4.93 118.68 114.26 1com s LEU 53 Ca 0.08 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 1com s LEU 53 Cb 0.12 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.89 1com s LEU 53 CO 0.67 -0.07 0.00 1.41 0.23 0.00 0.00 176.35 178.59 1com n HIS 54 N 4.53 0.00 0.21 0.29 8.25 -1.26 -4.89 115.22 122.35 1com n HIS 54 Ca -0.09 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.44 1com n HIS 54 Cb 0.51 0.00 0.58 0.00 1.12 0.00 0.00 29.99 32.20 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 1.89 -2.40 -1.41 0.00 -1.90 -3.45 119.26 111.98 1com h ALA 55 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1com h ALA 55 Cb 0.10 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 17.70 1com h ALA 55 CO 0.00 0.09 0.30 0.54 0.00 0.00 0.00 179.25 180.19 1com s VAL 56 N -5.03 0.00 0.09 0.00 0.11 -1.26 -4.66 120.40 109.64 1com s VAL 56 Ca -0.05 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.69 1com s VAL 56 Cb 0.17 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.95 1com s VAL 56 CO 0.69 0.00 1.25 -0.36 -3.33 0.00 0.00 175.10 173.34 1com s PHE 57 N -2.60 3.39 0.32 1.54 0.08 -1.26 -4.96 117.98 114.48 1com s PHE 57 Ca -0.02 1.22 0.06 0.00 0.12 0.00 0.00 56.93 58.32 1com s PHE 57 Cb -0.01 -3.49 0.74 0.00 -0.57 0.00 0.00 43.02 39.69 1com s PHE 57 CO -0.04 -1.57 1.82 -1.35 -0.10 0.00 0.00 175.22 173.98 1com h PRO 58 N 6.65 0.76 -0.22 0.24 0.11 -1.94 -2.69 132.00 134.91 1com h PRO 58 Ca -0.42 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 65.71 1com h PRO 58 Cb 1.21 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1com h PRO 58 CO 0.82 0.50 0.37 0.00 -0.21 0.00 0.00 178.00 179.49 1com h ALA 59 N 1.60 1.77 0.00 -0.75 0.00 -1.93 -1.03 119.26 118.92 1com h ALA 59 Ca 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1com h ALA 59 Cb 0.79 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1com h ALA 59 CO -0.30 -0.49 0.00 -0.22 0.00 0.00 0.00 179.25 178.24 1com h LYS 60 N 0.00 0.00 -0.10 0.00 3.64 -1.89 -2.09 116.57 116.13 1com h LYS 60 Ca 0.11 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.39 1com h LYS 60 Cb 0.85 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 1com h LYS 60 CO -0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 179.45 176.81 1com h ALA 61 N 2.01 1.18 -0.36 5.00 0.00 -1.40 -3.08 119.26 122.61 1com h ALA 61 Ca 0.00 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.55 1com h ALA 61 Cb 0.45 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1com h ALA 61 CO 0.00 0.55 0.24 0.28 0.00 0.00 0.00 179.25 180.32 1com h VAL 62 N 0.18 1.04 0.00 0.00 2.07 -1.54 -1.79 116.25 116.20 1com h VAL 62 Ca 0.02 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1com h VAL 62 Cb 0.75 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1com h VAL 62 CO 0.06 0.07 0.00 0.54 0.02 0.00 0.00 177.57 178.26 1com n ARG 63 N -4.49 0.69 0.19 1.57 1.74 -1.16 -2.22 116.66 112.98 1com n ARG 63 Ca 0.03 0.01 0.09 0.00 -0.77 0.00 0.00 57.85 57.21 1com n ARG 63 Cb 0.13 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.19 1com n ARG 63 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1com h GLU 64 N 0.00 0.00 -6.36 5.56 5.08 -1.46 -3.45 114.58 113.95 1com h GLU 64 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 1com h GLU 64 Cb 0.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1com h GLU 64 CO 0.00 0.17 0.52 -0.51 -1.00 0.00 0.00 179.01 178.19 1com s LEU 65 N -6.28 4.32 0.24 1.33 1.43 -0.94 -5.00 118.68 113.77 1com s LEU 65 Ca 0.06 1.71 -0.30 0.00 -1.03 0.00 0.00 54.13 54.57 1com s LEU 65 Cb 0.06 -3.57 -0.10 0.00 0.03 0.00 0.00 46.19 42.62 1com s LEU 65 CO 0.70 -0.41 1.38 -0.44 0.23 0.00 0.00 176.35 177.81 1com s SER 66 N 1.13 6.75 0.00 2.29 0.01 -1.26 -3.05 113.70 119.56 1com s SER 66 Ca 0.53 2.58 0.00 0.00 1.31 0.00 0.00 55.95 60.36 1com s SER 66 Cb -0.22 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.39 1com s SER 66 CO 0.24 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.87 1com n GLY 67 N 2.16 0.76 1.27 3.44 0.00 -1.26 -4.93 105.19 106.62 1com n GLY 67 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.35 1.15 -0.03 1.61 7.02 -1.17 -4.61 117.44 119.05 1com n TRP 68 Ca 0.00 -0.62 0.23 0.00 -1.02 0.00 0.00 57.50 56.09 1com n TRP 68 Cb 0.00 -0.19 0.71 0.00 -2.42 0.00 0.00 31.31 29.42 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 3.35 0.00 -0.27 -0.99 -0.00 -1.86 -2.34 115.11 113.00 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 1.26 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.74 1com h GLN 69 CO 0.16 0.00 0.00 0.66 0.00 0.00 0.00 178.83 179.65 1com n TYR 70 N -4.22 0.36 -2.84 3.99 4.01 -1.26 -4.94 117.16 112.25 1com n TYR 70 Ca 0.12 -0.45 -0.42 0.00 -0.16 0.00 0.00 57.90 56.99 1com n TYR 70 Cb 0.71 -0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 39.68 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 -0.98 4.86 0.03 -0.72 1.01 -0.88 -4.97 120.40 118.75 1com s VAL 71 Ca 0.19 1.74 -0.30 0.00 0.00 0.00 0.00 61.98 63.60 1com s VAL 71 Cb 0.10 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 1com s VAL 71 CO 0.14 0.03 1.41 -2.16 0.00 0.00 0.00 175.10 174.51 1com s PRO 72 N 2.05 4.29 0.02 2.72 0.04 -1.26 -4.94 135.00 137.91 1com s PRO 72 Ca 0.41 2.00 0.02 0.00 0.04 0.00 0.00 61.00 63.47 1com s PRO 72 Cb -0.17 -3.49 -0.01 0.00 0.04 0.00 0.00 34.50 30.86 1com s PRO 72 CO 0.14 -0.54 -0.06 0.14 0.04 0.00 0.00 177.00 176.72 1com s VAL 73 N 2.07 0.47 -0.03 -0.36 -7.23 -1.26 -0.98 120.40 113.07 1com s VAL 73 Ca 0.64 -0.58 -0.20 0.00 -1.81 0.00 0.00 61.98 60.03 1com s VAL 73 Cb -0.33 -0.46 0.04 0.00 0.56 0.00 0.00 36.38 36.19 1com s VAL 73 CO 0.28 -0.09 0.44 0.28 -0.31 0.00 0.00 175.10 175.70 1com s THR 74 N -0.64 0.03 0.32 5.32 -1.32 -1.01 -5.01 115.64 113.33 1com s THR 74 Ca -0.03 -0.29 0.06 0.00 -1.21 0.00 0.00 61.69 60.23 1com s THR 74 Cb -0.05 -0.75 -0.02 0.00 -1.51 0.00 0.00 72.50 70.17 1com s THR 74 CO 0.00 -0.16 0.41 0.00 -2.21 0.00 0.00 174.62 172.67 1com s MET 76 N -4.10 1.66 -0.13 0.00 0.23 -0.82 -4.91 119.30 111.23 1com s MET 76 Ca 0.42 -1.37 -0.05 0.00 -1.03 0.00 0.00 55.69 53.66 1com s MET 76 Cb -0.09 0.47 -0.04 0.00 -1.53 0.00 0.00 34.83 33.65 1com s MET 76 CO 0.30 -0.70 0.06 -1.14 -2.03 0.00 0.00 175.02 171.51 1com s GLN 77 N -3.71 3.45 0.43 3.16 0.74 -1.26 -2.59 119.66 119.87 1com s GLN 77 Ca 0.24 -0.32 -0.23 0.00 0.05 0.00 0.00 55.36 55.10 1com s GLN 77 Cb -0.01 -3.04 -0.09 0.00 1.10 0.00 0.00 33.01 30.98 1com s GLN 77 CO 0.11 0.57 1.03 -2.00 -0.55 0.00 0.00 175.29 174.46 1com s GLU 78 N -0.47 4.06 0.41 1.67 2.56 -0.50 -4.86 118.70 121.56 1com s GLU 78 Ca 0.10 1.42 -0.25 0.00 0.00 0.00 0.00 54.97 56.24 1com s GLU 78 Cb -0.12 -2.37 -0.08 0.00 2.00 0.00 0.00 34.13 33.56 1com s GLU 78 CO 0.02 -0.22 1.17 0.00 -0.56 0.00 0.00 175.26 175.68 1com s MET 79 N -2.78 4.01 -0.51 4.30 0.23 -1.26 -4.47 119.30 118.82 1com s MET 79 Ca 0.61 1.84 -0.27 0.00 -1.03 0.00 0.00 55.69 56.84 1com s MET 79 Cb -0.19 -2.64 0.03 0.00 -1.53 0.00 0.00 34.83 30.51 1com s MET 79 CO 0.24 -0.36 1.04 0.34 -2.03 0.00 0.00 175.02 174.25 1com s ASP 80 N -1.16 6.49 -0.07 -1.18 2.15 -1.26 -4.92 116.67 116.72 1com s ASP 80 Ca 0.58 0.11 -0.01 0.00 0.43 0.00 0.00 52.55 53.66 1com s ASP 80 Cb -0.31 -2.49 -0.03 0.00 -0.30 0.00 0.00 42.92 39.79 1com s ASP 80 CO 0.38 -1.23 0.00 -0.69 -0.17 0.00 0.00 175.17 173.46 1com s VAL 81 N 4.23 4.29 -0.02 1.11 1.01 -1.26 -5.06 120.40 124.70 1com s VAL 81 Ca 0.40 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 1com s VAL 81 Cb -0.09 -2.82 -0.07 0.00 0.00 0.00 0.00 36.38 33.40 1com s VAL 81 CO 0.26 0.57 1.83 -0.89 0.00 0.00 0.00 175.10 176.87 1com s THR 82 N -0.92 3.28 0.00 3.92 2.01 -1.26 -1.94 115.64 120.73 1com s THR 82 Ca 0.14 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.48 1com s THR 82 Cb -0.11 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.17 1com s THR 82 CO 0.04 -0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 1com n GLY 83 N 4.43 0.39 3.93 4.40 0.00 -1.26 -5.03 105.19 112.04 1com n GLY 83 Ca 0.19 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.98 1.68 -0.20 -0.02 0.00 -0.82 -5.00 107.32 99.98 1com s GLY 84 Ca 0.00 -0.95 -0.29 0.00 0.00 0.00 0.00 44.72 43.48 1com s GLY 84 CO 0.00 -0.44 1.06 -2.27 0.00 0.00 0.00 173.10 171.45 1com s LEU 85 N -5.45 4.14 0.66 0.66 2.96 -1.26 -5.00 118.68 115.39 1com s LEU 85 Ca 0.64 1.45 -0.11 0.00 -0.22 0.00 0.00 54.13 55.88 1com s LEU 85 Cb -0.09 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.04 1com s LEU 85 CO 0.47 -0.63 1.05 -0.54 -1.32 0.00 0.00 176.35 175.38 1com s LYS 86 N 2.97 3.21 -1.62 1.98 -0.14 -1.26 -4.11 119.74 120.76 1com s LYS 86 Ca 0.46 0.76 -0.12 0.00 -1.36 0.00 0.00 55.97 55.71 1com s LYS 86 Cb -0.16 -2.04 0.11 0.00 -1.68 0.00 0.00 37.83 34.06 1com s LYS 86 CO 0.09 -0.85 0.60 1.63 -0.76 0.00 0.00 175.35 176.07 1com n LYS 87 N -2.94 -2.83 -4.04 1.68 5.02 -1.26 -4.82 118.16 108.97 1com n LYS 87 Ca 0.07 0.34 -0.35 0.00 -2.02 0.00 0.00 58.31 56.35 1com n LYS 87 Cb 0.54 -4.78 -0.07 0.00 -0.02 0.00 0.00 35.03 30.71 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 -1.09 2.21 0.27 0.00 1.01 0.29 -1.85 121.20 122.04 1com s ILE 89 Ca 0.19 -0.91 0.10 0.00 0.00 0.00 0.00 60.65 60.03 1com s ILE 89 Cb -0.12 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 1com s ILE 89 CO 0.09 0.53 -0.06 -0.13 0.00 0.00 0.00 174.94 175.37 1com s ARG 90 N 1.08 2.12 0.04 2.79 0.52 -0.55 -1.70 118.95 123.26 1com s ARG 90 Ca -0.00 -1.51 0.01 0.00 -0.52 0.00 0.00 55.73 53.71 1com s ARG 90 Cb -0.14 -2.06 -0.03 0.00 0.52 0.00 0.00 34.95 33.25 1com s ARG 90 CO -0.07 0.36 -0.06 0.14 0.02 0.00 0.00 175.30 175.69 1com s VAL 91 N -2.35 0.38 -0.20 3.52 -7.23 -0.03 -1.70 120.40 112.80 1com s VAL 91 Ca 0.31 -1.15 -0.02 0.00 -1.81 0.00 0.00 61.98 59.31 1com s VAL 91 Cb -0.06 -0.66 0.06 0.00 0.56 0.00 0.00 36.38 36.28 1com s VAL 91 CO 0.18 -0.51 0.00 -0.32 -0.31 0.00 0.00 175.10 174.15 1com s MET 92 N -1.92 0.96 -0.15 4.82 1.75 0.12 -2.63 119.30 122.25 1com s MET 92 Ca -0.09 -0.54 -0.05 0.00 -1.25 0.00 0.00 55.69 53.76 1com s MET 92 Cb -0.07 -2.17 -0.04 0.00 2.84 0.00 0.00 34.83 35.40 1com s MET 92 CO -0.01 -0.60 0.03 1.41 -0.65 0.00 0.00 175.02 175.20 1com s MET 93 N 1.73 3.66 -0.23 4.11 1.75 -0.03 -0.92 119.30 129.37 1com s MET 93 Ca -0.02 -0.39 -0.03 0.00 -1.25 0.00 0.00 55.69 54.00 1com s MET 93 Cb -0.17 -3.04 0.01 0.00 2.84 0.00 0.00 34.83 34.47 1com s MET 93 CO -0.07 0.38 -0.06 0.99 -0.65 0.00 0.00 175.02 175.61 1com s THR 94 N 0.03 3.09 0.16 10.11 2.01 0.56 -0.80 115.64 130.81 1com s THR 94 Ca 0.04 -0.74 0.09 0.00 0.31 0.00 0.00 61.69 61.39 1com s THR 94 Cb -0.13 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 1com s THR 94 CO 0.01 0.34 -0.20 0.68 -0.69 0.00 0.00 174.62 174.76 1com s VAL 95 N 1.41 1.96 -0.07 3.82 -7.23 -0.02 0.01 120.40 120.28 1com s VAL 95 Ca 0.04 -1.90 -0.30 0.00 -1.81 0.00 0.00 61.98 58.01 1com s VAL 95 Cb -0.15 -1.89 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 1com s VAL 95 CO -0.04 -0.22 1.00 -1.58 -0.31 0.00 0.00 175.10 173.95 1com s GLN 96 N -2.63 4.47 -0.14 4.82 0.74 0.98 0.04 119.66 127.94 1com s GLN 96 Ca 0.16 1.41 -0.30 0.00 0.05 0.00 0.00 55.36 56.67 1com s GLN 96 Cb -0.07 -3.51 0.12 0.00 1.10 0.00 0.00 33.01 30.64 1com s GLN 96 CO 0.07 -0.23 0.94 -0.08 -0.55 0.00 0.00 175.29 175.44 1com s THR 97 N 1.67 0.00 -1.43 -0.34 -1.32 -0.74 -4.91 115.64 108.57 1com s THR 97 Ca 0.50 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 61.16 1com s THR 97 Cb -0.19 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.73 1com s THR 97 CO 0.21 0.00 0.88 -0.67 -2.21 0.00 0.00 174.62 172.84 1com n ASP 98 N 0.78 1.49 -4.75 8.08 2.03 -1.26 -4.03 116.55 118.89 1com n ASP 98 Ca -0.12 -1.25 -0.41 0.00 0.52 0.00 0.00 54.79 53.53 1com n ASP 98 Cb 0.58 0.63 -0.02 0.00 -0.72 0.00 0.00 41.12 41.59 1com n ASP 98 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1com s VAL 99 N -2.28 2.53 0.73 5.18 1.01 -1.26 -4.96 120.40 121.34 1com s VAL 99 Ca 0.13 0.46 -0.16 0.00 0.00 0.00 0.00 61.98 62.41 1com s VAL 99 Cb 0.14 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 33.25 1com s VAL 99 CO 0.54 0.08 1.09 -2.65 0.00 0.00 0.00 175.10 174.16 1com n PRO 100 N 1.90 0.54 -0.10 2.72 -0.02 -1.26 -4.91 135.00 133.87 1com n PRO 100 Ca 0.05 0.24 -0.09 0.00 -2.02 0.00 0.00 63.50 61.69 1com n PRO 100 Cb 0.40 -2.34 -0.01 0.00 -0.02 0.00 0.00 33.50 31.53 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 -0.28 0.45 0.00 -0.52 4.15 -1.99 -1.02 115.11 115.90 1com h GLN 101 Ca -0.48 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1com h GLN 101 Cb 1.33 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.91 1com h GLN 101 CO 0.48 0.30 0.00 -0.40 -1.93 0.00 0.00 178.83 177.28 1com n ASP 102 N -4.85 0.00 -0.04 -0.69 5.75 -1.26 -2.28 116.55 113.18 1com n ASP 102 Ca -0.01 -0.69 0.00 0.00 -0.01 0.00 0.00 54.79 54.09 1com n ASP 102 Cb 0.02 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.12 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 -0.83 0.08 -2.40 0.11 6.02 -0.40 -5.03 117.38 114.93 1com n GLN 103 Ca 0.08 -0.80 -0.39 0.00 -0.01 0.00 0.00 57.00 55.89 1com n GLN 103 Cb 0.04 -1.02 -0.03 0.00 1.02 0.00 0.00 30.24 30.25 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 -0.30 3.36 -0.45 5.09 -1.09 -0.97 -4.95 121.20 121.88 1com s ILE 104 Ca 0.01 1.20 -0.16 0.00 -2.23 0.00 0.00 60.65 59.48 1com s ILE 104 Cb 0.01 -3.70 0.05 0.00 -1.58 0.00 0.00 42.46 37.24 1com s ILE 104 CO 0.01 0.17 0.39 -0.13 -1.23 0.00 0.00 174.94 174.15 1com s ARG 105 N -2.02 3.00 -0.12 2.79 0.52 -1.26 -5.04 118.95 116.82 1com s ARG 105 Ca 0.52 -1.17 -0.11 0.00 -0.52 0.00 0.00 55.73 54.45 1com s ARG 105 Cb -0.30 -4.07 -0.05 0.00 0.52 0.00 0.00 34.95 31.05 1com s ARG 105 CO 0.38 -0.95 0.25 -1.01 0.02 0.00 0.00 175.30 173.98 1com s HIS 106 N 1.78 3.56 -0.24 -0.53 3.76 -1.26 -4.84 115.29 117.52 1com s HIS 106 Ca 0.06 0.63 -0.06 0.00 -0.15 0.00 0.00 55.06 55.53 1com s HIS 106 Cb -0.22 -2.17 -0.02 0.00 1.11 0.00 0.00 32.58 31.28 1com s HIS 106 CO 0.09 0.50 0.04 0.08 -0.85 0.00 0.00 174.74 174.60 1com s VAL 107 N -0.39 4.06 -0.30 -0.90 1.01 -0.90 -4.97 120.40 118.01 1com s VAL 107 Ca 0.16 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1com s VAL 107 Cb -0.13 -2.88 0.08 0.00 0.00 0.00 0.00 36.38 33.44 1com s VAL 107 CO 0.05 0.36 -0.03 -0.31 0.00 0.00 0.00 175.10 175.18 1com s TYR 108 N 1.56 3.50 0.51 5.22 2.02 -1.26 -2.06 117.35 126.84 1com s TYR 108 Ca 0.06 -2.66 0.04 0.00 -0.37 0.00 0.00 57.07 54.14 1com s TYR 108 Cb -0.15 -2.43 0.00 0.00 -0.40 0.00 0.00 41.96 38.98 1com s TYR 108 CO 0.02 -0.91 0.21 -0.51 -1.57 0.00 0.00 175.55 172.78 1com s LEU 109 N 1.01 2.62 0.00 -1.29 1.43 -0.35 -3.99 118.68 118.11 1com s LEU 109 Ca 0.01 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 51.74 1com s LEU 109 Cb -0.19 -1.05 0.00 0.00 0.03 0.00 0.00 46.19 44.97 1com s LEU 109 CO -0.07 -0.91 0.00 -0.62 0.23 0.00 0.00 176.35 174.98 1com n GLU 110 N -1.48 0.00 0.00 1.70 -0.58 -1.26 -0.57 120.64 118.45 1com n GLU 110 Ca -0.08 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.74 1com n GLU 110 Cb 0.65 0.00 0.41 0.00 -0.57 0.00 0.00 31.44 31.94 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 -0.16 3.49 5.02 -1.26 -2.39 118.16 137.07 1com n LYS 111 Ca 0.00 0.14 0.03 0.00 -2.02 0.00 0.00 58.31 56.46 1com n LYS 111 Cb 0.00 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.61 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 -1.32 2.61 0.26 7.82 0.00 0.26 -3.61 120.51 126.53 1com n ALA 112 Ca 0.07 -0.42 0.09 0.00 0.00 0.00 0.00 53.44 53.18 1com n ALA 112 Cb 0.14 -1.00 0.42 0.00 0.00 0.00 0.00 19.45 19.01 1com n ALA 112 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1com n VAL 113 N 0.13 1.12 1.05 0.00 0.24 -1.01 -2.94 118.33 116.92 1com n VAL 113 Ca 0.07 0.46 0.03 0.00 -2.04 0.00 0.00 64.34 62.86 1com n VAL 113 Cb 0.29 -1.40 0.16 0.00 -1.47 0.00 0.00 33.84 31.42 1com n VAL 113 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1com n VAL 114 N -2.02 0.00 -0.32 3.34 3.14 -1.24 -5.04 118.33 116.19 1com n VAL 114 Ca 0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 1com n VAL 114 Cb 0.11 -0.40 0.00 0.00 -1.06 0.00 0.00 33.84 32.50 1com n VAL 114 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55