#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 5.08 -0.07 1.12 1.09 -1.26 -1.16 121.20 126.00 1com s ILE 3 Ca 0.00 0.49 -0.08 0.00 -1.10 0.00 0.00 60.65 59.96 1com s ILE 3 Cb 0.00 -3.65 0.02 0.00 -1.06 0.00 0.00 42.46 37.77 1com s ILE 3 CO 0.00 0.30 0.21 -0.13 -0.10 0.00 0.00 174.94 175.22 1com s ARG 4 N -1.87 0.28 0.25 2.79 0.52 0.46 -4.93 118.95 116.45 1com s ARG 4 Ca 0.33 0.21 -0.12 0.00 -0.52 0.00 0.00 55.73 55.63 1com s ARG 4 Cb -0.14 0.13 -0.08 0.00 0.52 0.00 0.00 34.95 35.38 1com s ARG 4 CO 0.18 -0.04 0.61 0.20 0.02 0.00 0.00 175.30 176.26 1com s GLY 5 N -0.07 2.31 -0.02 -3.53 0.00 -1.26 -0.40 107.32 104.36 1com s GLY 5 Ca -0.02 -0.16 0.08 0.00 0.00 0.00 0.00 44.72 44.61 1com s GLY 5 CO 0.01 0.01 -0.25 -0.42 0.00 0.00 0.00 173.10 172.44 1com s ILE 6 N -1.84 1.96 0.06 0.90 1.01 0.57 -4.94 121.20 118.91 1com s ILE 6 Ca 0.49 -1.06 0.08 0.00 0.00 0.00 0.00 60.65 60.15 1com s ILE 6 Cb -0.11 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 1com s ILE 6 CO 0.20 0.55 -0.18 -0.13 0.00 0.00 0.00 174.94 175.39 1com s ARG 7 N -0.57 2.00 0.14 2.79 1.81 -1.26 -0.79 118.95 123.06 1com s ARG 7 Ca 0.09 -1.03 -0.14 0.00 -1.72 0.00 0.00 55.73 52.93 1com s ARG 7 Cb -0.10 -2.17 0.02 0.00 -0.45 0.00 0.00 34.95 32.25 1com s ARG 7 CO -0.01 0.52 0.36 0.20 -0.68 0.00 0.00 175.30 175.69 1com s GLY 8 N -1.65 -0.05 -0.10 -3.53 0.00 -1.00 -1.64 107.32 99.35 1com s GLY 8 Ca 0.16 -0.33 -0.30 0.00 0.00 0.00 0.00 44.72 44.25 1com s GLY 8 CO 0.07 -0.49 0.72 0.00 0.00 0.00 0.00 173.10 173.40 1com s ALA 9 N -3.85 -1.79 0.27 3.20 0.00 -0.44 -1.53 121.76 117.62 1com s ALA 9 Ca 0.07 1.47 -0.11 0.00 0.00 0.00 0.00 51.96 53.38 1com s ALA 9 Cb 0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 1com s ALA 9 CO -0.08 -0.36 0.49 -0.08 0.00 0.00 0.00 175.76 175.72 1com s THR 10 N -0.90 0.00 0.11 0.00 -1.32 -0.55 -0.16 115.64 112.81 1com s THR 10 Ca -0.08 -1.43 0.01 0.00 -1.21 0.00 0.00 61.69 58.98 1com s THR 10 Cb -0.01 -2.30 -0.04 0.00 -1.51 0.00 0.00 72.50 68.64 1com s THR 10 CO 0.08 0.00 -0.03 0.42 -2.21 0.00 0.00 174.62 172.88 1com s THR 11 N -3.81 0.50 0.18 5.08 -4.23 -1.26 -1.66 115.64 110.45 1com s THR 11 Ca 0.24 -1.91 0.09 0.00 -1.18 0.00 0.00 61.69 58.92 1com s THR 11 Cb -0.01 -1.79 -0.04 0.00 1.34 0.00 0.00 72.50 72.00 1com s THR 11 CO 0.11 -0.76 -0.19 0.68 -0.54 0.00 0.00 174.62 173.92 1com s VAL 12 N -3.75 1.92 -0.52 2.29 -7.23 -0.63 -4.83 120.40 107.64 1com s VAL 12 Ca 0.15 -2.00 0.24 0.00 -1.81 0.00 0.00 61.98 58.56 1com s VAL 12 Cb 0.06 -1.93 0.06 0.00 0.56 0.00 0.00 36.38 35.13 1com s VAL 12 CO -0.03 -0.33 1.28 -0.33 -0.31 0.00 0.00 175.10 175.38 1com h GLU 13 N 3.09 0.00 -3.45 4.82 4.39 -1.97 -3.45 114.58 118.01 1com h GLU 13 Ca -0.42 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.11 1com h GLU 13 Cb 1.21 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 29.62 1com h GLU 13 CO 0.53 0.00 -0.52 1.03 -1.16 0.00 0.00 179.01 178.88 1com s ARG 14 N -3.22 0.31 -0.57 2.33 0.52 -1.26 -5.09 118.95 111.96 1com s ARG 14 Ca 0.05 -0.08 -0.25 0.00 -0.52 0.00 0.00 55.73 54.92 1com s ARG 14 Cb 0.12 0.14 0.04 0.00 0.52 0.00 0.00 34.95 35.76 1com s ARG 14 CO 0.73 -0.06 1.02 0.34 0.02 0.00 0.00 175.30 177.35 1com s ASP 15 N -0.61 6.34 0.11 0.23 2.15 -1.26 -4.66 116.67 118.97 1com s ASP 15 Ca -0.07 -0.29 -0.22 0.00 0.43 0.00 0.00 52.55 52.40 1com s ASP 15 Cb -0.04 -2.47 0.06 0.00 -0.30 0.00 0.00 42.92 40.17 1com s ASP 15 CO 0.01 -1.33 0.55 0.28 -0.17 0.00 0.00 175.17 174.50 1com s THR 16 N 4.28 0.02 0.02 1.71 -1.32 -1.26 -4.85 115.64 114.25 1com s THR 16 Ca 0.33 -0.18 -0.25 0.00 -1.21 0.00 0.00 61.69 60.38 1com s THR 16 Cb -0.11 -1.03 -0.17 0.00 -1.51 0.00 0.00 72.50 69.68 1com s THR 16 CO 0.20 -0.10 1.38 -0.08 -2.21 0.00 0.00 174.62 173.81 1com h GLU 17 N 2.35 -0.26 -0.57 7.08 4.81 -1.92 -3.06 114.58 123.01 1com h GLU 17 Ca -0.33 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.02 1com h GLU 17 Cb 1.26 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 30.59 1com h GLU 17 CO 0.41 0.03 -0.36 1.49 -0.73 0.00 0.00 179.01 179.85 1com h GLU 18 N -0.54 -0.18 -0.21 1.92 4.81 -1.97 -1.53 114.58 116.88 1com h GLU 18 Ca -0.03 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1com h GLU 18 Cb 0.41 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 1com h GLU 18 CO 0.04 -0.12 -0.15 1.49 -0.73 0.00 0.00 179.01 179.55 1com h GLU 19 N -0.19 0.48 -0.74 1.92 4.81 -1.88 -2.40 114.58 116.58 1com h GLU 19 Ca 0.21 -0.23 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1com h GLU 19 Cb 0.55 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 1com h GLU 19 CO -0.67 0.78 0.48 0.82 -0.73 0.00 0.00 179.01 179.69 1com h ILE 20 N 0.17 1.14 -0.03 2.32 2.04 -1.35 0.11 117.51 121.91 1com h ILE 20 Ca 0.04 -0.32 -0.16 0.00 1.00 0.00 0.00 64.86 65.42 1com h ILE 20 Cb 0.67 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1com h ILE 20 CO 0.04 0.17 -0.72 -0.07 0.00 0.00 0.00 178.15 177.58 1com h LEU 21 N 0.95 0.19 0.00 1.44 3.38 -1.33 0.06 115.31 119.99 1com h LEU 21 Ca 0.28 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1com h LEU 21 Cb -0.04 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1com h LEU 21 CO -0.09 0.84 -0.00 -0.61 0.09 0.00 0.00 178.44 178.67 1com h GLN 22 N 0.10 -0.01 -0.18 1.13 4.15 -0.85 -1.83 115.11 117.63 1com h GLN 22 Ca -0.02 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.23 1com h GLN 22 Cb 1.27 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.96 1com h GLN 22 CO 0.11 0.39 -0.58 0.87 -1.93 0.00 0.00 178.83 177.69 1com h LYS 23 N -0.40 0.57 -0.33 1.69 1.79 -0.82 -2.15 116.57 116.91 1com h LYS 23 Ca -0.00 -0.37 -0.07 0.00 -2.18 0.00 0.00 60.65 58.03 1com h LYS 23 Cb 0.40 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 1com h LYS 23 CO 0.00 0.99 -0.05 1.15 -1.08 0.00 0.00 179.45 180.46 1com h THR 24 N 0.43 1.27 -0.14 -0.16 2.02 -1.01 -2.45 112.91 112.87 1com h THR 24 Ca 0.00 -1.08 0.05 0.00 0.77 0.00 0.00 66.41 66.15 1com h THR 24 Cb 1.13 1.30 -0.06 0.00 -1.74 0.00 0.00 68.15 68.78 1com h THR 24 CO 0.11 0.35 -0.30 0.50 0.37 0.00 0.00 175.52 176.55 1com h LYS 25 N 0.42 -0.36 -0.85 6.66 3.64 -1.28 -1.37 116.57 123.42 1com h LYS 25 Ca 0.09 0.02 0.22 0.00 -1.27 0.00 0.00 60.65 59.71 1com h LYS 25 Cb 0.53 0.08 -0.14 0.00 -0.41 0.00 0.00 32.23 32.30 1com h LYS 25 CO 0.03 -0.24 0.18 1.96 -2.27 0.00 0.00 179.45 179.11 1com h GLN 26 N -0.37 0.18 -0.08 1.90 4.20 -1.39 -1.42 115.11 118.14 1com h GLN 26 Ca 0.10 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 1com h GLN 26 Cb 0.52 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 1com h GLN 26 CO -0.35 0.12 -0.00 1.25 -0.67 0.00 0.00 178.83 179.18 1com h LEU 27 N 0.19 0.14 -0.87 1.46 5.85 -0.78 -2.73 115.31 118.56 1com h LEU 27 Ca 0.52 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1com h LEU 27 Cb 1.01 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 1com h LEU 27 CO -0.66 0.42 0.47 -0.07 -0.34 0.00 0.00 178.44 178.26 1com h LEU 28 N -0.15 1.09 -1.39 2.25 3.38 -0.98 -2.48 115.31 117.03 1com h LEU 28 Ca 0.02 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1com h LEU 28 Cb 0.35 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1com h LEU 28 CO 0.00 0.88 -0.02 -0.33 0.09 0.00 0.00 178.44 179.06 1com h GLU 29 N 1.21 0.38 -0.08 1.13 5.08 -1.23 -1.33 114.58 119.74 1com h GLU 29 Ca 0.30 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.46 1com h GLU 29 Cb 0.03 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.23 1com h GLU 29 CO -0.05 0.42 -0.49 -0.22 -1.00 0.00 0.00 179.01 177.68 1com h LYS 30 N 0.37 0.47 -0.19 2.33 1.63 -1.14 -2.54 116.57 117.50 1com h LYS 30 Ca 0.08 -0.40 0.02 0.00 -0.85 0.00 0.00 60.65 59.51 1com h LYS 30 Cb 0.28 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 1com h LYS 30 CO 0.01 1.04 0.05 0.82 -3.45 0.00 0.00 179.45 177.91 1com h ILE 31 N 0.03 0.92 -0.93 2.00 2.04 -1.28 -0.99 117.51 119.31 1com h ILE 31 Ca -0.04 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.79 1com h ILE 31 Cb 1.14 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 1com h ILE 31 CO 0.10 0.02 0.62 0.40 0.00 0.00 0.00 178.15 179.29 1com h ILE 32 N 0.13 1.22 0.54 -0.67 2.04 -1.30 -0.69 117.51 118.77 1com h ILE 32 Ca 0.09 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 1com h ILE 32 Cb 0.07 -0.13 0.01 0.00 -0.74 0.00 0.00 36.82 36.03 1com h ILE 32 CO -0.11 0.23 -0.26 -0.08 0.00 0.00 0.00 178.15 177.93 1com h GLU 33 N 1.24 -0.70 -0.87 2.37 4.81 -1.17 0.68 114.58 120.95 1com h GLU 33 Ca 0.35 0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.76 1com h GLU 33 Cb -0.11 0.16 -0.07 0.00 0.63 0.00 0.00 28.75 29.36 1com h GLU 33 CO -0.08 -0.47 0.56 0.93 -0.73 0.00 0.00 179.01 179.22 1com h GLU 34 N -0.88 0.67 -0.03 1.92 4.39 -1.19 -0.76 114.58 118.70 1com h GLU 34 Ca -0.07 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1com h GLU 34 Cb 0.56 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1com h GLU 34 CO 0.12 0.45 -0.03 0.09 -1.16 0.00 0.00 179.01 178.48 1com n ASN 35 N -4.55 2.84 -3.78 1.42 3.02 -0.27 -4.88 115.26 109.07 1com n ASN 35 Ca 0.16 -1.92 -0.26 0.00 -0.03 0.00 0.00 54.58 52.53 1com n ASN 35 Cb 0.44 0.03 0.04 0.00 -0.61 0.00 0.00 39.78 39.68 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 1.20 -2.34 -2.55 3.10 8.25 0.21 -4.90 115.22 118.20 1com n HIS 36 Ca 0.13 0.92 -0.42 0.00 -0.26 0.00 0.00 57.72 58.09 1com n HIS 36 Cb 0.56 -4.34 -0.03 0.00 1.12 0.00 0.00 29.99 27.30 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 -3.39 4.37 -0.07 1.59 2.01 0.23 -5.01 115.64 115.37 1com s THR 37 Ca 0.48 1.73 -0.12 0.00 0.31 0.00 0.00 61.69 64.09 1com s THR 37 Cb -0.23 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.12 1com s THR 37 CO 0.80 0.15 0.29 -0.54 -0.69 0.00 0.00 174.62 174.63 1com s LYS 38 N 0.92 3.80 0.30 4.92 -0.14 -1.26 -4.90 119.74 123.37 1com s LYS 38 Ca 0.55 0.16 0.01 0.00 -1.36 0.00 0.00 55.97 55.33 1com s LYS 38 Cb -0.26 -3.24 0.71 0.00 -1.68 0.00 0.00 37.83 33.36 1com s LYS 38 CO 0.29 0.65 1.60 -1.00 -0.76 0.00 0.00 175.35 176.13 1com h PRO 39 N 5.12 0.06 0.00 -1.68 0.13 -1.96 -0.98 132.00 132.70 1com h PRO 39 Ca -0.51 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1com h PRO 39 Cb 1.21 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1com h PRO 39 CO 0.62 0.04 0.00 -0.85 -0.23 0.00 0.00 178.00 177.59 1com n GLU 40 N -5.40 0.48 0.00 0.86 0.00 -1.26 -1.56 120.64 113.75 1com n GLU 40 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.43 1com n GLU 40 Cb 0.71 -1.23 0.01 0.00 0.00 0.00 0.00 31.44 30.93 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 -0.73 1.41 -4.57 -1.84 8.00 -0.37 -4.92 116.55 113.52 1com n ASP 41 Ca 0.05 -1.20 -0.42 0.00 0.71 0.00 0.00 54.79 53.93 1com n ASP 41 Cb 0.02 0.35 -0.05 0.00 -0.02 0.00 0.00 41.12 41.43 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 -1.27 4.69 0.20 2.53 1.01 -0.60 -1.16 120.40 125.79 1com s VAL 42 Ca 0.10 0.76 -0.10 0.00 0.00 0.00 0.00 61.98 62.74 1com s VAL 42 Cb 0.09 -4.26 0.15 0.00 0.00 0.00 0.00 36.38 32.35 1com s VAL 42 CO 0.23 -0.54 1.85 0.58 0.00 0.00 0.00 175.10 177.23 1com h VAL 43 N 5.84 1.21 -1.18 2.92 2.07 -1.27 -3.46 116.25 122.39 1com h VAL 43 Ca -0.25 -0.44 0.40 0.00 0.82 0.00 0.00 66.70 67.23 1com h VAL 43 Cb 1.09 0.17 -0.13 0.00 -1.52 0.00 0.00 31.29 30.90 1com h VAL 43 CO 0.93 0.21 0.99 0.00 0.02 0.00 0.00 177.57 179.73 1com s GLN 44 N -6.01 0.02 -0.10 1.57 -2.07 -1.25 -4.64 119.66 107.18 1com s GLN 44 Ca -0.13 -0.01 -0.07 0.00 -1.82 0.00 0.00 55.36 53.33 1com s GLN 44 Cb 0.15 0.01 0.04 0.00 -1.09 0.00 0.00 33.01 32.11 1com s GLN 44 CO 0.79 -0.01 0.25 1.41 -1.32 0.00 0.00 175.29 176.41 1com s MET 45 N -2.02 0.25 -0.03 9.60 1.75 -0.43 -1.52 119.30 126.89 1com s MET 45 Ca 0.18 0.46 0.06 0.00 -1.25 0.00 0.00 55.69 55.14 1com s MET 45 Cb 0.07 -0.00 -0.02 0.00 2.84 0.00 0.00 34.83 37.71 1com s MET 45 CO -0.06 -0.11 -0.22 -0.51 -0.65 0.00 0.00 175.02 173.47 1com s LEU 46 N 0.77 2.27 -0.08 4.11 1.43 -0.37 -2.80 118.68 124.02 1com s LEU 46 Ca -0.05 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 52.71 1com s LEU 46 Cb -0.06 -1.41 -0.01 0.00 0.03 0.00 0.00 46.19 44.73 1com s LEU 46 CO -0.05 0.32 -0.23 -0.76 0.23 0.00 0.00 176.35 175.86 1com s LEU 47 N -0.60 2.16 0.26 1.79 1.43 -0.33 -1.24 118.68 122.15 1com s LEU 47 Ca 0.09 -0.50 0.12 0.00 -1.03 0.00 0.00 54.13 52.81 1com s LEU 47 Cb -0.11 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.65 1com s LEU 47 CO -0.00 0.21 -0.19 -0.94 0.23 0.00 0.00 176.35 175.66 1com s SER 48 N 0.02 3.66 0.04 2.29 1.04 0.28 -1.34 113.70 119.68 1com s SER 48 Ca -0.09 -0.95 0.04 0.00 0.48 0.00 0.00 55.95 55.43 1com s SER 48 Cb -0.15 -0.35 -0.02 0.00 0.10 0.00 0.00 66.02 65.60 1com s SER 48 CO 0.05 0.06 -0.12 0.00 0.98 0.00 0.00 173.24 174.21 1com s ALA 49 N -2.29 0.96 0.77 5.32 0.00 -1.00 -1.54 121.76 123.99 1com s ALA 49 Ca 0.28 -0.76 -0.12 0.00 0.00 0.00 0.00 51.96 51.36 1com s ALA 49 Cb -0.06 -0.12 0.06 0.00 0.00 0.00 0.00 23.12 23.01 1com s ALA 49 CO 0.14 0.15 1.12 0.95 0.00 0.00 0.00 175.76 178.12 1com s THR 50 N -0.92 2.91 -2.00 0.00 -4.23 -0.93 -0.60 115.64 109.86 1com s THR 50 Ca -0.01 0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.84 1com s THR 50 Cb -0.08 -2.74 0.01 0.00 1.34 0.00 0.00 72.50 71.03 1com s THR 50 CO 0.01 -0.34 0.52 -0.81 -0.54 0.00 0.00 174.62 173.46 1com n PRO 51 N -3.34 0.49 -0.37 3.99 -0.04 -1.26 -2.61 135.00 131.86 1com n PRO 51 Ca 0.10 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 1com n PRO 51 Cb 0.52 -1.01 0.31 0.00 -0.04 0.00 0.00 33.50 33.28 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 -0.51 3.77 -4.08 3.54 5.68 -1.26 -4.86 116.55 118.83 1com n ASP 52 Ca 0.00 -2.04 -0.32 0.00 -0.50 0.00 0.00 54.79 51.93 1com n ASP 52 Cb 0.00 -0.47 -0.16 0.00 -1.14 0.00 0.00 41.12 39.35 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 -1.07 2.29 0.00 -2.12 1.43 -1.07 -4.88 118.68 113.27 1com s LEU 53 Ca 0.46 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1com s LEU 53 Cb 0.25 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 45.04 1com s LEU 53 CO 0.31 -0.05 0.17 1.41 0.23 0.00 0.00 176.35 178.41 1com n HIS 54 N 4.62 0.00 0.08 0.29 8.25 -1.26 -4.93 115.22 122.27 1com n HIS 54 Ca -0.19 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.15 1com n HIS 54 Cb 0.48 0.00 -0.06 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 0.33 -2.34 -1.41 0.00 -1.88 -3.47 119.26 110.48 1com h ALA 55 Ca 0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 54.91 54.04 1com h ALA 55 Cb 0.20 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 17.76 1com h ALA 55 CO 0.00 0.90 -0.10 0.54 0.00 0.00 0.00 179.25 180.59 1com s VAL 56 N -3.06 0.03 -0.04 0.00 0.11 -1.26 -4.77 120.40 111.42 1com s VAL 56 Ca -0.04 -0.27 -0.30 0.00 -2.93 0.00 0.00 61.98 58.44 1com s VAL 56 Cb 0.09 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 1com s VAL 56 CO 0.86 -0.15 1.33 -0.36 -3.33 0.00 0.00 175.10 173.46 1com s PHE 57 N -1.13 2.92 0.43 1.54 0.08 -1.26 -4.90 117.98 115.64 1com s PHE 57 Ca -0.11 0.94 0.19 0.00 0.12 0.00 0.00 56.93 58.06 1com s PHE 57 Cb -0.03 -3.58 1.11 0.00 -0.57 0.00 0.00 43.02 39.95 1com s PHE 57 CO 0.06 -2.07 1.85 -1.35 -0.10 0.00 0.00 175.22 173.61 1com h PRO 58 N 7.84 0.36 -0.17 0.24 0.11 -1.97 -0.83 132.00 137.58 1com h PRO 58 Ca -0.35 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.78 1com h PRO 58 Cb 1.16 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1com h PRO 58 CO 0.91 0.24 0.45 0.00 -0.21 0.00 0.00 178.00 179.39 1com h ALA 59 N 1.61 1.70 0.00 -0.75 0.00 -1.95 -0.41 119.26 119.45 1com h ALA 59 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1com h ALA 59 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1com h ALA 59 CO -0.17 -0.54 0.00 1.17 0.00 0.00 0.00 179.25 179.71 1com n LYS 60 N -3.15 0.12 0.18 0.00 4.81 -0.32 -1.79 118.16 118.02 1com n LYS 60 Ca 0.02 0.35 0.05 0.00 -0.87 0.00 0.00 58.31 57.86 1com n LYS 60 Cb 0.54 -1.73 0.24 0.00 0.02 0.00 0.00 35.03 34.10 1com n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1com h ALA 61 N 2.37 0.87 -0.61 3.14 0.00 -1.29 -3.31 119.26 120.43 1com h ALA 61 Ca 0.00 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1com h ALA 61 Cb 0.34 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1com h ALA 61 CO 0.00 0.48 0.40 0.28 0.00 0.00 0.00 179.25 180.42 1com h VAL 62 N 0.00 1.15 0.00 0.00 2.07 -1.55 0.31 116.25 118.23 1com h VAL 62 Ca -0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1com h VAL 62 Cb 1.06 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1com h VAL 62 CO 0.05 0.15 0.00 0.03 0.02 0.00 0.00 177.57 177.82 1com h ARG 63 N 0.82 0.00 -0.00 1.57 2.47 -1.76 -1.67 114.38 115.81 1com h ARG 63 Ca 0.22 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.94 1com h ARG 63 Cb -0.08 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.24 1com h ARG 63 CO -0.05 0.00 -0.05 0.39 0.56 0.00 0.00 179.97 180.82 1com n GLU 64 N -2.73 0.37 -3.30 0.04 1.02 0.10 -4.52 120.64 111.62 1com n GLU 64 Ca 0.01 -0.05 -0.43 0.00 -0.02 0.00 0.00 57.16 56.67 1com n GLU 64 Cb 0.28 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.12 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 -2.66 5.01 -0.26 -4.62 1.43 -0.63 -5.00 118.68 111.96 1com s LEU 65 Ca 0.25 -0.83 -0.36 0.00 -1.03 0.00 0.00 54.13 52.15 1com s LEU 65 Cb 0.20 -2.36 -0.13 0.00 0.03 0.00 0.00 46.19 43.93 1com s LEU 65 CO 0.49 -0.65 1.98 -1.20 0.23 0.00 0.00 176.35 177.20 1com n SER 66 N 5.64 2.59 0.00 2.29 7.64 -1.26 -1.03 113.62 129.49 1com n SER 66 Ca -0.08 0.75 0.00 0.00 1.01 0.00 0.00 58.87 60.55 1com n SER 66 Cb 0.46 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 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 5.29 0.13 0.52 0.23 0.00 -1.26 -4.89 105.19 105.21 1com n GLY 67 Ca 0.32 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.47 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 -1.88 0.08 0.97 1.61 7.02 -0.20 -4.28 117.44 120.75 1com n TRP 68 Ca 0.00 -0.04 0.06 0.00 -1.02 0.00 0.00 57.50 56.51 1com n TRP 68 Cb 0.00 0.00 0.38 0.00 -2.42 0.00 0.00 31.31 29.27 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 0.26 0.48 0.00 -0.99 0.00 -1.26 -1.51 117.38 114.36 1com n GLN 69 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 57.00 57.23 1com n GLN 69 Cb 0.35 -1.41 0.00 0.00 0.00 0.00 0.00 30.24 29.18 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 -0.91 0.00 -2.25 2.61 4.01 -1.26 -5.00 117.16 114.35 1com n TYR 70 Ca 0.10 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.41 1com n TYR 70 Cb 0.04 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.05 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 -1.36 3.70 0.06 -0.72 1.01 -0.57 -5.00 120.40 117.52 1com s VAL 71 Ca 0.09 1.14 -0.31 0.00 0.00 0.00 0.00 61.98 62.90 1com s VAL 71 Cb 0.08 -3.73 -0.07 0.00 0.00 0.00 0.00 36.38 32.66 1com s VAL 71 CO 0.25 0.03 1.50 -2.84 0.00 0.00 0.00 175.10 174.05 1com s PRO 72 N 1.89 4.25 0.07 2.72 0.02 -1.26 -4.96 135.00 137.73 1com s PRO 72 Ca 0.63 2.15 0.06 0.00 0.02 0.00 0.00 61.00 63.86 1com s PRO 72 Cb -0.32 -3.48 -0.03 0.00 0.02 0.00 0.00 34.50 30.69 1com s PRO 72 CO 0.27 -0.61 -0.15 0.14 -0.33 0.00 0.00 177.00 176.32 1com s VAL 73 N 2.11 1.22 -0.04 3.83 -7.23 -1.26 -1.32 120.40 117.71 1com s VAL 73 Ca 0.68 -1.31 -0.25 0.00 -1.81 0.00 0.00 61.98 59.29 1com s VAL 73 Cb -0.37 -1.15 0.05 0.00 0.56 0.00 0.00 36.38 35.48 1com s VAL 73 CO 0.30 -0.17 0.54 0.28 -0.31 0.00 0.00 175.10 175.74 1com s THR 74 N -1.21 0.02 0.20 5.32 -1.32 -1.12 -5.00 115.64 112.53 1com s THR 74 Ca -0.00 -0.18 0.06 0.00 -1.21 0.00 0.00 61.69 60.36 1com s THR 74 Cb -0.10 -0.86 -0.04 0.00 -1.51 0.00 0.00 72.50 70.00 1com s THR 74 CO 0.02 -0.10 0.18 0.00 -2.21 0.00 0.00 174.62 172.52 1com s MET 76 N -3.42 1.60 -0.14 0.00 0.23 -0.45 -4.92 119.30 112.21 1com s MET 76 Ca 0.32 -1.40 -0.13 0.00 -1.03 0.00 0.00 55.69 53.45 1com s MET 76 Cb -0.09 0.45 -0.05 0.00 -1.53 0.00 0.00 34.83 33.61 1com s MET 76 CO 0.24 -0.65 0.28 -1.14 -2.03 0.00 0.00 175.02 171.72 1com s GLN 77 N -3.80 4.11 0.37 3.16 0.74 -1.26 -2.38 119.66 120.61 1com s GLN 77 Ca 0.26 0.10 -0.25 0.00 0.05 0.00 0.00 55.36 55.52 1com s GLN 77 Cb 0.00 -3.37 -0.09 0.00 1.10 0.00 0.00 33.01 30.65 1com s GLN 77 CO 0.12 0.37 1.04 -2.00 -0.55 0.00 0.00 175.29 174.27 1com s GLU 78 N 0.07 4.29 0.37 1.67 2.56 0.23 -4.89 118.70 123.00 1com s GLU 78 Ca 0.17 1.53 -0.27 0.00 0.00 0.00 0.00 54.97 56.40 1com s GLU 78 Cb -0.13 -2.67 -0.09 0.00 2.00 0.00 0.00 34.13 33.24 1com s GLU 78 CO 0.05 -0.04 1.25 0.00 -0.56 0.00 0.00 175.26 175.97 1com s MET 79 N -2.29 4.17 -1.14 4.30 0.23 -1.26 -4.32 119.30 118.99 1com s MET 79 Ca 0.55 2.07 -0.21 0.00 -1.03 0.00 0.00 55.69 57.07 1com s MET 79 Cb -0.23 -2.87 0.06 0.00 -1.53 0.00 0.00 34.83 30.26 1com s MET 79 CO 0.29 -0.30 1.57 0.34 -2.03 0.00 0.00 175.02 174.90 1com s ASP 80 N -0.77 6.64 -0.14 -1.18 2.15 -1.26 -4.94 116.67 117.17 1com s ASP 80 Ca 0.53 -1.87 -0.07 0.00 0.43 0.00 0.00 52.55 51.57 1com s ASP 80 Cb -0.36 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 39.64 1com s ASP 80 CO 0.47 -1.37 0.12 -0.69 -0.17 0.00 0.00 175.17 173.53 1com s VAL 81 N 4.67 5.32 -0.11 1.11 1.01 -1.26 -5.03 120.40 126.11 1com s VAL 81 Ca 0.49 0.14 -0.32 0.00 0.00 0.00 0.00 61.98 62.30 1com s VAL 81 Cb 0.02 -3.35 -0.10 0.00 0.00 0.00 0.00 36.38 32.95 1com s VAL 81 CO -0.02 0.56 1.99 0.41 0.00 0.00 0.00 175.10 178.04 1com n THR 82 N 2.51 0.55 -0.60 3.92 -1.04 -1.26 -1.21 114.28 117.16 1com n THR 82 Ca -0.19 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 1com n THR 82 Cb 0.54 -2.07 0.00 0.00 -1.82 0.00 0.00 70.33 66.98 1com n THR 82 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1com n GLY 83 N 4.87 0.78 3.77 3.41 0.00 -1.26 -5.04 105.19 111.72 1com n GLY 83 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.69 1.65 0.14 -0.02 0.00 -0.35 -4.96 107.32 102.10 1com s GLY 84 Ca 0.00 0.09 -0.31 0.00 0.00 0.00 0.00 44.72 44.51 1com s GLY 84 CO 0.00 0.48 1.36 -2.27 0.00 0.00 0.00 173.10 172.66 1com s LEU 85 N -5.90 4.39 0.45 0.66 2.96 -1.26 -5.00 118.68 114.97 1com s LEU 85 Ca 0.61 2.35 -0.10 0.00 -0.22 0.00 0.00 54.13 56.76 1com s LEU 85 Cb -0.16 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 42.87 1com s LEU 85 CO 0.56 -0.60 0.82 -0.54 -1.32 0.00 0.00 176.35 175.27 1com s LYS 86 N 0.65 3.74 -1.09 1.98 -0.14 -1.26 -4.35 119.74 119.27 1com s LYS 86 Ca 0.62 0.51 -0.30 0.00 -1.36 0.00 0.00 55.97 55.44 1com s LYS 86 Cb -0.37 -2.33 0.04 0.00 -1.68 0.00 0.00 37.83 33.50 1com s LYS 86 CO 0.33 -0.14 0.62 1.63 -0.76 0.00 0.00 175.35 177.03 1com n LYS 87 N -1.62 -0.37 -5.06 1.68 5.02 -1.26 -4.80 118.16 111.74 1com n LYS 87 Ca 0.03 0.08 -0.31 0.00 -2.02 0.00 0.00 58.31 56.09 1com n LYS 87 Cb 0.54 -2.17 -0.17 0.00 -0.02 0.00 0.00 35.03 33.21 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 0.45 3.54 0.18 0.00 1.01 -0.66 -2.20 121.20 123.52 1com s ILE 89 Ca -0.17 -0.45 0.11 0.00 0.00 0.00 0.00 60.65 60.14 1com s ILE 89 Cb -0.17 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 1com s ILE 89 CO 0.07 0.44 -0.22 -0.13 0.00 0.00 0.00 174.94 175.10 1com s ARG 90 N 1.08 1.59 0.02 2.79 0.52 -0.59 -1.49 118.95 122.88 1com s ARG 90 Ca 0.01 -1.46 0.05 0.00 -0.52 0.00 0.00 55.73 53.81 1com s ARG 90 Cb -0.15 -1.90 -0.02 0.00 0.52 0.00 0.00 34.95 33.40 1com s ARG 90 CO 0.00 0.41 -0.15 0.54 0.02 0.00 0.00 175.30 176.13 1com s VAL 91 N -1.59 1.16 -0.27 3.52 0.11 -0.58 -0.55 120.40 122.19 1com s VAL 91 Ca 0.20 -0.86 0.01 0.00 -2.93 0.00 0.00 61.98 58.40 1com s VAL 91 Cb -0.08 -1.02 0.08 0.00 -1.53 0.00 0.00 36.38 33.83 1com s VAL 91 CO 0.10 0.14 0.01 -0.32 -3.33 0.00 0.00 175.10 171.70 1com s MET 92 N -0.83 1.37 -0.27 1.54 1.75 -0.37 -2.38 119.30 120.10 1com s MET 92 Ca 0.04 -1.20 -0.10 0.00 -1.25 0.00 0.00 55.69 53.18 1com s MET 92 Cb -0.07 -2.58 -0.04 0.00 2.84 0.00 0.00 34.83 34.97 1com s MET 92 CO 0.01 -0.76 0.16 1.41 -0.65 0.00 0.00 175.02 175.18 1com s MET 93 N 1.34 3.87 -0.26 4.11 1.75 0.03 -1.24 119.30 128.91 1com s MET 93 Ca 0.02 -0.36 -0.19 0.00 -1.25 0.00 0.00 55.69 53.91 1com s MET 93 Cb -0.18 -3.58 -0.03 0.00 2.84 0.00 0.00 34.83 33.88 1com s MET 93 CO -0.11 -0.19 0.55 0.99 -0.65 0.00 0.00 175.02 175.61 1com s THR 94 N 1.72 5.05 0.15 10.11 2.01 -0.57 -0.32 115.64 133.79 1com s THR 94 Ca 0.07 0.95 0.06 0.00 0.31 0.00 0.00 61.69 63.08 1com s THR 94 Cb -0.16 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1com s THR 94 CO 0.09 0.07 -0.13 0.68 -0.69 0.00 0.00 174.62 174.65 1com s VAL 95 N 2.33 1.37 -0.29 3.82 -7.23 0.47 -0.77 120.40 120.10 1com s VAL 95 Ca 0.23 -1.95 -0.21 0.00 -1.81 0.00 0.00 61.98 58.24 1com s VAL 95 Cb -0.16 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 35.02 1com s VAL 95 CO 0.09 -0.57 0.67 -1.58 -0.31 0.00 0.00 175.10 173.40 1com s GLN 96 N -3.26 3.97 0.16 4.82 0.74 -0.31 -0.41 119.66 125.38 1com s GLN 96 Ca 0.15 0.44 -0.08 0.00 0.05 0.00 0.00 55.36 55.92 1com s GLN 96 Cb -0.01 -3.71 -0.01 0.00 1.10 0.00 0.00 33.01 30.38 1com s GLN 96 CO 0.03 -0.55 0.25 -0.08 -0.55 0.00 0.00 175.29 174.39 1com s THR 97 N 2.66 0.07 -0.15 -0.34 -1.32 -0.31 -4.94 115.64 111.30 1com s THR 97 Ca 0.27 -1.46 0.17 0.00 -1.21 0.00 0.00 61.69 59.46 1com s THR 97 Cb -0.15 -1.87 -0.25 0.00 -1.51 0.00 0.00 72.50 68.72 1com s THR 97 CO 0.11 -0.32 0.14 0.47 -2.21 0.00 0.00 174.62 172.81 1com n ASP 98 N -0.20 0.36 -4.67 8.08 8.00 -1.26 0.26 116.55 127.12 1com n ASP 98 Ca -0.07 0.00 -0.47 0.00 0.71 0.00 0.00 54.79 54.96 1com n ASP 98 Cb 0.63 1.15 -0.04 0.00 -0.02 0.00 0.00 41.12 42.84 1com n ASP 98 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1com n VAL 99 N -2.60 0.08 -1.44 2.53 0.31 -1.26 -4.73 118.33 111.22 1com n VAL 99 Ca -0.25 -0.02 -0.34 0.00 -0.01 0.00 0.00 64.34 63.72 1com n VAL 99 Cb 1.00 -1.55 0.09 0.00 -0.91 0.00 0.00 33.84 32.47 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 1.35 2.18 0.21 5.55 0.04 -1.26 -4.84 135.00 138.22 1com s PRO 100 Ca 0.81 1.70 -0.16 0.00 0.04 0.00 0.00 61.00 63.39 1com s PRO 100 Cb -0.70 -1.84 0.22 0.00 0.04 0.00 0.00 34.50 32.22 1com s PRO 100 CO 0.40 -1.79 1.60 0.37 0.04 0.00 0.00 177.00 177.62 1com h GLN 101 N -0.32 -0.07 0.00 4.56 4.15 -1.97 0.26 115.11 121.72 1com h GLN 101 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.95 1com h GLN 101 Cb 1.29 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.99 1com h GLN 101 CO 0.50 -0.05 0.00 -0.40 -1.93 0.00 0.00 178.83 176.95 1com n ASP 102 N -5.46 0.00 -0.11 -0.69 5.75 -1.26 -1.81 116.55 112.97 1com n ASP 102 Ca 0.07 -0.52 0.01 0.00 -0.01 0.00 0.00 54.79 54.35 1com n ASP 102 Cb 0.36 -0.04 0.02 0.00 -1.03 0.00 0.00 41.12 40.43 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 -1.04 0.93 -2.27 0.11 6.02 0.90 -4.98 117.38 117.05 1com n GLN 103 Ca 0.14 -1.07 -0.42 0.00 -0.01 0.00 0.00 57.00 55.64 1com n GLN 103 Cb 0.08 -1.05 -0.03 0.00 1.02 0.00 0.00 30.24 30.26 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 -0.55 3.90 -0.58 5.09 -1.09 -0.75 -4.92 121.20 122.30 1com s ILE 104 Ca 0.04 1.21 -0.21 0.00 -2.23 0.00 0.00 60.65 59.46 1com s ILE 104 Cb 0.02 -3.78 0.07 0.00 -1.58 0.00 0.00 42.46 37.19 1com s ILE 104 CO 0.03 -0.04 0.83 -0.13 -1.23 0.00 0.00 174.94 174.40 1com s ARG 105 N 2.86 3.15 0.09 2.79 0.52 -1.26 -5.02 118.95 122.07 1com s ARG 105 Ca 0.62 -0.81 -0.14 0.00 -0.52 0.00 0.00 55.73 54.88 1com s ARG 105 Cb -0.28 -4.16 -0.06 0.00 0.52 0.00 0.00 34.95 30.96 1com s ARG 105 CO 0.24 -1.55 0.48 -1.01 0.02 0.00 0.00 175.30 173.48 1com s HIS 106 N 3.44 3.65 -0.19 -0.53 3.76 -1.26 -4.80 115.29 119.36 1com s HIS 106 Ca 0.20 1.00 0.01 0.00 -0.15 0.00 0.00 55.06 56.12 1com s HIS 106 Cb -0.18 -2.31 0.02 0.00 1.11 0.00 0.00 32.58 31.22 1com s HIS 106 CO 0.12 0.52 -0.18 0.08 -0.85 0.00 0.00 174.74 174.44 1com s VAL 107 N -1.31 2.19 -0.11 -0.90 1.01 -0.65 -4.78 120.40 115.85 1com s VAL 107 Ca 0.32 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1com s VAL 107 Cb -0.16 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 1com s VAL 107 CO 0.17 0.47 -0.15 -0.31 0.00 0.00 0.00 175.10 175.29 1com s TYR 108 N 1.29 2.76 0.23 5.22 1.51 -1.26 -1.33 117.35 125.77 1com s TYR 108 Ca 0.04 -0.61 0.03 0.00 -1.01 0.00 0.00 57.07 55.51 1com s TYR 108 Cb -0.14 -1.79 -0.05 0.00 -0.11 0.00 0.00 41.96 39.87 1com s TYR 108 CO -0.11 -0.17 0.01 -0.51 -1.11 0.00 0.00 175.55 173.65 1com s LEU 109 N 0.17 2.14 0.00 -1.29 1.43 0.77 -4.53 118.68 117.37 1com s LEU 109 Ca -0.08 -1.23 0.00 0.00 -1.03 0.00 0.00 54.13 51.79 1com s LEU 109 Cb -0.15 -0.22 0.00 0.00 0.03 0.00 0.00 46.19 45.85 1com s LEU 109 CO 0.05 -0.54 0.00 -0.62 0.23 0.00 0.00 176.35 175.47 1com n GLU 110 N -0.40 0.00 0.18 1.70 -0.58 -1.26 -2.07 120.64 118.20 1com n GLU 110 Ca -0.05 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.83 1com n GLU 110 Cb 0.64 0.00 0.59 0.00 -0.57 0.00 0.00 31.44 32.10 1com n GLU 110 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1com h LYS 111 N 0.00 0.00 0.00 3.49 6.56 -1.92 -2.97 116.57 121.73 1com h LYS 111 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1com h LYS 111 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1com h LYS 111 CO 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 179.45 177.39 1com n ALA 112 N -1.87 1.33 0.17 3.86 0.00 -0.88 -2.49 120.51 120.62 1com n ALA 112 Ca 0.01 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.53 1com n ALA 112 Cb 0.22 -1.12 0.53 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.51 0.90 0.08 0.00 0.24 -1.12 -1.12 118.33 115.79 1com n VAL 113 Ca 0.02 0.75 -0.06 0.00 -2.04 0.00 0.00 64.34 63.01 1com n VAL 113 Cb 0.08 -1.75 -0.06 0.00 -1.47 0.00 0.00 33.84 30.65 1com n VAL 113 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1com h VAL 114 N 0.00 1.65 -0.56 3.34 2.07 -1.78 -3.38 116.25 117.59 1com h VAL 114 Ca 0.00 -3.16 -0.07 0.00 0.82 0.00 0.00 66.70 64.29 1com h VAL 114 Cb 0.18 2.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 1com h VAL 114 CO 0.00 0.90 0.07 -0.07 0.02 0.00 0.00 177.57 178.49 1com h LEU 115 N 0.00 0.90 -5.88 2.57 3.38 -1.36 -3.37 115.31 111.55 1com h LEU 115 Ca -0.01 -0.27 -0.44 0.00 0.09 0.00 0.00 57.88 57.25 1com h LEU 115 Cb 1.63 -0.24 -0.31 0.00 0.09 0.00 0.00 40.66 41.84 1com h LEU 115 CO 0.12 0.95 -0.83 0.54 0.09 0.00 0.00 178.44 179.31 1com n ARG 116 N -4.32 0.35 0.30 1.13 5.12 -1.26 -4.99 116.66 112.99 1com n ARG 116 Ca 0.02 -2.78 0.17 0.00 -1.93 0.00 0.00 57.85 53.32 1com n ARG 116 Cb 0.28 -1.57 0.93 0.00 -1.16 0.00 0.00 32.46 30.95 1com n ARG 116 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1com h PRO 117 N 5.25 0.00 0.00 5.56 0.13 -1.74 -2.45 132.00 138.74 1com h PRO 117 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1com h PRO 117 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1com h PRO 117 CO 0.27 0.03 0.00 -0.40 -0.23 0.00 0.00 178.00 177.67 1com n ASP 118 N -3.55 0.00 -3.88 1.44 5.75 -1.26 -3.41 116.55 111.64 1com n ASP 118 Ca -0.02 0.32 -0.30 0.00 -0.01 0.00 0.00 54.79 54.77 1com n ASP 118 Cb 0.14 -0.40 -0.15 0.00 -1.03 0.00 0.00 41.12 39.68 1com n ASP 118 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1com s LEU 119 N -2.81 3.62 0.00 -2.12 1.02 -0.92 -5.19 118.68 112.28 1com s LEU 119 Ca 0.09 -2.07 0.00 0.00 0.02 0.00 0.00 54.13 52.16 1com s LEU 119 Cb 0.08 -1.30 0.00 0.00 0.02 0.00 0.00 46.19 45.00 1com s LEU 119 CO 0.21 -0.37 0.00 -0.24 0.02 0.00 0.00 176.35 175.97