#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 2.09 0.03 1.12 -1.09 -1.26 -1.94 121.20 120.15 1com s ILE 3 Ca 0.00 -1.05 0.01 0.00 -2.23 0.00 0.00 60.65 57.38 1com s ILE 3 Cb 0.00 -1.76 -0.02 0.00 -1.58 0.00 0.00 42.46 39.10 1com s ILE 3 CO 0.00 0.57 -0.05 -0.13 -1.23 0.00 0.00 174.94 174.10 1com s ARG 4 N -0.10 0.40 -0.03 2.79 1.81 -0.00 -4.95 118.95 118.87 1com s ARG 4 Ca -0.06 -0.67 -0.03 0.00 -1.72 0.00 0.00 55.73 53.25 1com s ARG 4 Cb -0.14 -0.06 -0.04 0.00 -0.45 0.00 0.00 34.95 34.25 1com s ARG 4 CO 0.04 -0.01 0.16 0.20 -0.68 0.00 0.00 175.30 175.01 1com s GLY 5 N -1.50 2.15 -0.26 -3.53 0.00 -1.26 -0.24 107.32 102.69 1com s GLY 5 Ca -0.13 -0.75 0.03 0.00 0.00 0.00 0.00 44.72 43.86 1com s GLY 5 CO -0.00 -0.61 -0.11 -0.42 0.00 0.00 0.00 173.10 171.96 1com s ILE 6 N -1.24 2.13 0.65 0.90 1.01 0.14 -4.93 121.20 119.86 1com s ILE 6 Ca 0.24 -1.61 -0.11 0.00 0.00 0.00 0.00 60.65 59.17 1com s ILE 6 Cb -0.12 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 1com s ILE 6 CO 0.15 -0.03 1.05 -0.13 0.00 0.00 0.00 174.94 175.98 1com s ARG 7 N 1.12 3.30 -0.16 2.79 1.81 -1.26 -1.14 118.95 125.41 1com s ARG 7 Ca -0.09 0.71 -0.30 0.00 -1.72 0.00 0.00 55.73 54.33 1com s ARG 7 Cb -0.20 -2.05 0.13 0.00 -0.45 0.00 0.00 34.95 32.38 1com s ARG 7 CO -0.05 -0.77 1.05 0.20 -0.68 0.00 0.00 175.30 175.05 1com s GLY 8 N -4.16 -0.24 -0.05 -3.53 0.00 -1.11 -2.42 107.32 95.80 1com s GLY 8 Ca 0.56 1.98 -0.25 0.00 0.00 0.00 0.00 44.72 47.01 1com s GLY 8 CO 0.54 0.91 0.56 0.00 0.00 0.00 0.00 173.10 175.10 1com s ALA 9 N -1.47 -1.44 0.36 3.20 0.00 -0.39 -1.06 121.76 120.96 1com s ALA 9 Ca 0.02 1.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.95 1com s ALA 9 Cb -0.01 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.08 1com s ALA 9 CO -0.02 -0.33 0.56 -0.08 0.00 0.00 0.00 175.76 175.90 1com s THR 10 N -1.12 0.00 0.02 0.00 -1.32 -0.81 -0.60 115.64 111.80 1com s THR 10 Ca -0.11 -1.44 0.00 0.00 -1.21 0.00 0.00 61.69 58.93 1com s THR 10 Cb -0.02 -2.72 -0.02 0.00 -1.51 0.00 0.00 72.50 68.24 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 -2.81 0.13 0.34 5.08 -4.23 -1.26 -2.00 115.64 110.88 1com s THR 11 Ca 0.27 -0.68 0.07 0.00 -1.18 0.00 0.00 61.69 60.16 1com s THR 11 Cb -0.02 -0.23 -0.02 0.00 1.34 0.00 0.00 72.50 73.57 1com s THR 11 CO 0.18 -0.35 0.35 0.68 -0.54 0.00 0.00 174.62 174.95 1com s VAL 12 N -1.06 3.67 -0.18 2.29 -7.23 -0.86 -4.77 120.40 112.26 1com s VAL 12 Ca -0.11 -1.25 0.16 0.00 -1.81 0.00 0.00 61.98 58.97 1com s VAL 12 Cb -0.07 -3.25 -0.24 0.00 0.56 0.00 0.00 36.38 33.38 1com s VAL 12 CO -0.01 -0.16 0.14 -0.62 -0.31 0.00 0.00 175.10 174.14 1com n GLU 13 N -1.47 0.68 -4.61 4.82 -0.58 -1.26 -4.88 120.64 113.35 1com n GLU 13 Ca -0.01 0.04 -0.22 0.00 -0.42 0.00 0.00 57.16 56.55 1com n GLU 13 Cb 0.59 -1.56 -0.15 0.00 -0.57 0.00 0.00 31.44 29.75 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 -2.51 1.09 -1.09 3.49 0.52 -1.26 -5.06 118.95 114.14 1com s ARG 14 Ca -0.11 -0.50 -0.22 0.00 -0.52 0.00 0.00 55.73 54.39 1com s ARG 14 Cb 0.06 -1.06 0.03 0.00 0.52 0.00 0.00 34.95 34.51 1com s ARG 14 CO 0.82 0.29 1.64 0.34 0.02 0.00 0.00 175.30 178.40 1com s ASP 15 N -0.35 6.28 0.03 0.23 2.15 -1.26 -4.63 116.67 119.12 1com s ASP 15 Ca 0.05 -1.62 0.01 0.00 0.43 0.00 0.00 52.55 51.42 1com s ASP 15 Cb -0.05 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 39.97 1com s ASP 15 CO -0.00 -1.72 -0.06 0.28 -0.17 0.00 0.00 175.17 173.50 1com s THR 16 N 5.98 0.36 0.13 1.71 -1.32 -1.26 -4.71 115.64 116.54 1com s THR 16 Ca 0.53 -0.99 -0.17 0.00 -1.21 0.00 0.00 61.69 59.86 1com s THR 16 Cb 0.00 -0.46 -0.01 0.00 -1.51 0.00 0.00 72.50 70.52 1com s THR 16 CO -0.02 -0.42 1.72 -0.08 -2.21 0.00 0.00 174.62 173.62 1com h GLU 17 N 4.59 0.52 -0.67 7.08 4.81 -1.90 -0.60 114.58 128.43 1com h GLU 17 Ca -0.34 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 58.84 1com h GLU 17 Cb 1.21 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 1com h GLU 17 CO 0.41 0.45 0.44 1.49 -0.73 0.00 0.00 179.01 181.07 1com h GLU 18 N 0.46 0.84 0.19 1.92 4.22 -1.97 -2.01 114.58 118.23 1com h GLU 18 Ca 0.13 -0.05 -0.31 0.00 0.08 0.00 0.00 59.36 59.21 1com h GLU 18 Cb 0.09 -0.19 0.02 0.00 0.50 0.00 0.00 28.75 29.16 1com h GLU 18 CO -0.02 0.56 -1.46 1.49 -2.18 0.00 0.00 179.01 177.39 1com h GLU 19 N 0.87 0.39 0.37 1.92 4.81 -1.62 -2.24 114.58 119.09 1com h GLU 19 Ca 0.25 -0.67 -0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1com h GLU 19 Cb -0.04 0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1com h GLU 19 CO -0.06 1.32 -0.44 0.82 -0.73 0.00 0.00 179.01 179.92 1com h ILE 20 N -0.04 0.13 -0.94 2.32 2.04 -1.14 -0.15 117.51 119.73 1com h ILE 20 Ca -0.28 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.60 1com h ILE 20 Cb 1.98 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 38.14 1com h ILE 20 CO 0.18 0.00 0.62 -0.07 0.00 0.00 0.00 178.15 178.88 1com h LEU 21 N -0.84 1.05 0.20 1.44 3.38 -1.47 -0.74 115.31 118.32 1com h LEU 21 Ca -0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1com h LEU 21 Cb 0.77 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1com h LEU 21 CO -0.11 0.74 -0.09 -0.61 0.09 0.00 0.00 178.44 178.46 1com h GLN 22 N 1.23 -0.25 0.00 1.13 4.15 -1.05 -0.45 115.11 119.86 1com h GLN 22 Ca 0.36 0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.75 1com h GLN 22 Cb -0.07 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 1com h GLN 22 CO -0.09 0.01 -0.21 0.87 -1.93 0.00 0.00 178.83 177.48 1com h LYS 23 N -0.50 0.00 -0.04 1.69 1.79 -0.84 -1.66 116.57 117.02 1com h LYS 23 Ca -0.03 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.27 1com h LYS 23 Cb 0.38 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.04 1com h LYS 23 CO 0.04 0.21 -0.67 1.15 -1.08 0.00 0.00 179.45 179.10 1com h THR 24 N 0.00 1.37 -0.22 -0.16 2.02 -1.03 -2.42 112.91 112.47 1com h THR 24 Ca -0.00 -2.04 -0.00 0.00 0.77 0.00 0.00 66.41 65.14 1com h THR 24 Cb 0.55 2.41 -0.01 0.00 -1.74 0.00 0.00 68.15 69.37 1com h THR 24 CO 0.03 0.61 0.13 0.50 0.37 0.00 0.00 175.52 177.16 1com h LYS 25 N 0.09 0.30 -0.31 6.66 3.64 -0.76 -1.18 116.57 125.01 1com h LYS 25 Ca -0.07 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1com h LYS 25 Cb 1.35 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 33.03 1com h LYS 25 CO 0.13 0.25 -0.23 1.96 -2.27 0.00 0.00 179.45 179.30 1com h GLN 26 N 0.27 -0.19 -0.21 1.90 4.20 -1.36 -0.28 115.11 119.44 1com h GLN 26 Ca 0.08 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.82 1com h GLN 26 Cb 0.03 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1com h GLN 26 CO -0.01 -0.13 0.06 1.25 -0.67 0.00 0.00 178.83 179.33 1com h LEU 27 N -0.20 0.06 -0.23 1.46 5.85 -1.13 -0.82 115.31 120.30 1com h LEU 27 Ca 0.16 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.92 1com h LEU 27 Cb 0.44 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1com h LEU 27 CO -0.43 0.06 0.12 -0.07 -0.34 0.00 0.00 178.44 177.79 1com h LEU 28 N 0.16 0.19 -1.09 2.25 3.38 -0.73 -1.70 115.31 117.77 1com h LEU 28 Ca 0.09 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.15 1com h LEU 28 Cb 0.07 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.72 1com h LEU 28 CO -0.10 0.14 0.62 -0.33 0.09 0.00 0.00 178.44 178.85 1com h GLU 29 N 0.26 1.02 -0.41 1.13 5.08 -0.92 -1.09 114.58 119.65 1com h GLU 29 Ca 0.09 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 1com h GLU 29 Cb 0.01 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1com h GLU 29 CO -0.06 0.67 -0.12 -0.22 -1.00 0.00 0.00 179.01 178.29 1com h LYS 30 N 1.05 0.80 -0.21 2.33 1.63 -0.53 -1.84 116.57 119.80 1com h LYS 30 Ca 0.43 -0.32 -0.05 0.00 -0.85 0.00 0.00 60.65 59.86 1com h LYS 30 Cb 0.28 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 1com h LYS 30 CO -0.18 0.94 -0.06 0.82 -3.45 0.00 0.00 179.45 177.52 1com h ILE 31 N 0.62 1.29 -0.42 2.00 2.04 -0.76 -0.91 117.51 121.37 1com h ILE 31 Ca 0.10 -1.06 0.05 0.00 1.00 0.00 0.00 64.86 64.95 1com h ILE 31 Cb 0.66 1.55 -0.05 0.00 -0.74 0.00 0.00 36.82 38.24 1com h ILE 31 CO 0.05 0.32 0.15 0.40 0.00 0.00 0.00 178.15 179.07 1com h ILE 32 N 0.14 0.88 0.81 -0.67 2.04 -1.23 0.90 117.51 120.39 1com h ILE 32 Ca 0.05 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 1com h ILE 32 Cb 0.52 0.52 0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1com h ILE 32 CO 0.02 0.06 -0.39 -0.08 0.00 0.00 0.00 178.15 177.76 1com h GLU 33 N 0.32 -1.05 0.00 2.37 4.81 -1.12 0.48 114.58 120.40 1com h GLU 33 Ca 0.20 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1com h GLU 33 Cb 0.18 0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1com h GLU 33 CO -0.20 -0.70 0.00 0.39 -0.73 0.00 0.00 179.01 177.78 1com n GLU 34 N -5.55 0.19 0.00 1.92 1.02 -0.36 -3.09 120.64 114.77 1com n GLU 34 Ca -0.15 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 1com n GLU 34 Cb 0.44 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1com n GLU 34 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1com n ASN 35 N -2.22 0.68 -3.30 1.62 3.02 0.30 -4.72 115.26 110.64 1com n ASN 35 Ca 0.02 -0.87 -0.23 0.00 -0.03 0.00 0.00 54.58 53.47 1com n ASN 35 Cb 0.23 0.20 0.06 0.00 -0.61 0.00 0.00 39.78 39.66 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 -0.20 -2.40 -2.21 3.10 8.25 0.17 -4.95 115.22 116.98 1com n HIS 36 Ca 0.00 0.75 -0.42 0.00 -0.26 0.00 0.00 57.72 57.80 1com n HIS 36 Cb 0.02 -4.73 -0.03 0.00 1.12 0.00 0.00 29.99 26.37 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 -3.25 3.28 -0.07 1.59 2.01 -1.14 -5.03 115.64 113.05 1com s THR 37 Ca 0.44 1.00 -0.00 0.00 0.31 0.00 0.00 61.69 63.44 1com s THR 37 Cb -0.20 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 1com s THR 37 CO 0.55 0.12 -0.04 -0.54 -0.69 0.00 0.00 174.62 174.02 1com s LYS 38 N 0.36 2.83 0.25 4.92 -0.14 -1.26 -4.91 119.74 121.79 1com s LYS 38 Ca 0.59 -0.50 -0.03 0.00 -1.36 0.00 0.00 55.97 54.67 1com s LYS 38 Cb -0.36 -2.67 0.51 0.00 -1.68 0.00 0.00 37.83 33.63 1com s LYS 38 CO 0.35 0.68 1.68 -1.00 -0.76 0.00 0.00 175.35 176.30 1com h PRO 39 N 5.13 0.27 0.00 -1.68 0.13 -1.96 -0.22 132.00 133.68 1com h PRO 39 Ca -0.50 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1com h PRO 39 Cb 1.18 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1com h PRO 39 CO 0.53 0.18 0.00 -0.85 -0.23 0.00 0.00 178.00 177.63 1com n GLU 40 N -5.15 0.07 0.00 0.86 0.00 -1.26 -0.61 120.64 114.54 1com n GLU 40 Ca 0.16 0.28 0.13 0.00 0.00 0.00 0.00 57.16 57.73 1com n GLU 40 Cb 0.50 -1.50 0.44 0.00 0.00 0.00 0.00 31.44 30.88 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 -1.37 1.38 -4.58 -1.84 8.00 -0.09 -4.84 116.55 113.21 1com n ASP 41 Ca 0.03 -1.28 -0.40 0.00 0.71 0.00 0.00 54.79 53.84 1com n ASP 41 Cb 0.07 0.06 -0.08 0.00 -0.02 0.00 0.00 41.12 41.15 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 -2.20 5.10 0.12 2.53 1.01 0.21 -0.72 120.40 126.44 1com s VAL 42 Ca 0.32 0.45 -0.19 0.00 0.00 0.00 0.00 61.98 62.56 1com s VAL 42 Cb 0.20 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.69 1com s VAL 42 CO 0.41 -0.04 1.71 0.58 0.00 0.00 0.00 175.10 177.77 1com h VAL 43 N 5.50 1.12 -1.07 2.92 2.07 -1.22 -3.44 116.25 122.13 1com h VAL 43 Ca -0.29 -0.32 0.40 0.00 0.82 0.00 0.00 66.70 67.30 1com h VAL 43 Cb 1.14 0.87 -0.14 0.00 -1.52 0.00 0.00 31.29 31.65 1com h VAL 43 CO 0.71 0.12 1.00 0.00 0.02 0.00 0.00 177.57 179.42 1com s GLN 44 N -5.86 0.01 -0.08 1.57 -2.07 -1.24 -4.54 119.66 107.46 1com s GLN 44 Ca -0.13 -0.00 -0.05 0.00 -1.82 0.00 0.00 55.36 53.36 1com s GLN 44 Cb 0.08 0.00 0.03 0.00 -1.09 0.00 0.00 33.01 32.04 1com s GLN 44 CO 0.71 -0.00 0.18 1.41 -1.32 0.00 0.00 175.29 176.27 1com s MET 45 N -2.01 0.16 -0.10 9.60 1.75 -0.02 -1.91 119.30 126.78 1com s MET 45 Ca 0.16 0.37 -0.04 0.00 -1.25 0.00 0.00 55.69 54.93 1com s MET 45 Cb 0.07 -0.07 -0.04 0.00 2.84 0.00 0.00 34.83 37.64 1com s MET 45 CO -0.07 -0.12 0.05 -0.51 -0.65 0.00 0.00 175.02 173.73 1com s LEU 46 N 0.82 3.86 -0.07 4.11 1.43 -0.41 -2.69 118.68 125.73 1com s LEU 46 Ca -0.06 0.25 0.05 0.00 -1.03 0.00 0.00 54.13 53.34 1com s LEU 46 Cb -0.08 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 44.23 1com s LEU 46 CO -0.05 0.38 -0.22 -0.76 0.23 0.00 0.00 176.35 175.94 1com s LEU 47 N -0.89 2.01 0.23 1.79 1.43 -0.89 -1.22 118.68 121.15 1com s LEU 47 Ca 0.13 -0.48 0.10 0.00 -1.03 0.00 0.00 54.13 52.85 1com s LEU 47 Cb -0.12 -1.26 -0.05 0.00 0.03 0.00 0.00 46.19 44.80 1com s LEU 47 CO 0.03 0.18 -0.18 -0.94 0.23 0.00 0.00 176.35 175.67 1com s SER 48 N 0.13 3.06 0.01 2.29 1.04 -0.02 -1.06 113.70 119.15 1com s SER 48 Ca -0.10 -0.99 0.01 0.00 0.48 0.00 0.00 55.95 55.35 1com s SER 48 Cb -0.15 -0.21 -0.01 0.00 0.10 0.00 0.00 66.02 65.74 1com s SER 48 CO 0.05 -0.04 -0.04 0.00 0.98 0.00 0.00 173.24 174.19 1com s ALA 49 N -2.55 0.26 0.81 5.32 0.00 -1.14 -1.00 121.76 123.46 1com s ALA 49 Ca 0.24 -0.36 -0.11 0.00 0.00 0.00 0.00 51.96 51.73 1com s ALA 49 Cb -0.04 0.02 0.08 0.00 0.00 0.00 0.00 23.12 23.18 1com s ALA 49 CO 0.10 -0.02 1.09 0.95 0.00 0.00 0.00 175.76 177.89 1com s THR 50 N -0.68 3.11 -2.00 0.00 -4.23 -0.62 -1.12 115.64 110.12 1com s THR 50 Ca -0.05 0.36 0.03 0.00 -1.18 0.00 0.00 61.69 60.85 1com s THR 50 Cb -0.05 -2.88 0.09 0.00 1.34 0.00 0.00 72.50 70.99 1com s THR 50 CO -0.00 -0.47 0.52 -0.81 -0.54 0.00 0.00 174.62 173.31 1com n PRO 51 N -3.62 0.17 -0.63 3.99 -0.04 -1.26 -2.83 135.00 130.78 1com n PRO 51 Ca 0.08 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.62 1com n PRO 51 Cb 0.54 -1.28 0.32 0.00 -0.04 0.00 0.00 33.50 33.04 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 -0.78 4.66 -3.95 3.54 5.68 -1.26 -4.90 116.55 119.53 1com n ASP 52 Ca 0.02 -2.88 -0.22 0.00 -0.50 0.00 0.00 54.79 51.21 1com n ASP 52 Cb 0.01 -0.59 -0.16 0.00 -1.14 0.00 0.00 41.12 39.24 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 -2.62 1.45 0.00 -2.12 1.43 -1.13 -4.89 118.68 110.80 1com s LEU 53 Ca 0.47 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 1com s LEU 53 Cb 0.36 -0.64 0.00 0.00 0.03 0.00 0.00 46.19 45.94 1com s LEU 53 CO 0.13 -0.02 0.06 1.41 0.23 0.00 0.00 176.35 178.17 1com n HIS 54 N 4.00 0.00 -0.20 0.29 8.25 -1.26 -4.93 115.22 121.37 1com n HIS 54 Ca -0.23 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.16 1com n HIS 54 Cb 0.51 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.65 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 0.73 -2.93 -1.41 0.00 -1.90 -3.46 119.26 110.29 1com h ALA 55 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1com h ALA 55 Cb 0.56 -0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.02 1com h ALA 55 CO 0.00 0.22 0.13 0.54 0.00 0.00 0.00 179.25 180.14 1com s VAL 56 N -5.95 0.01 0.08 0.00 0.11 -1.26 -4.76 120.40 108.63 1com s VAL 56 Ca -0.13 -0.52 -0.30 0.00 -2.93 0.00 0.00 61.98 58.10 1com s VAL 56 Cb 0.13 -1.41 -0.05 0.00 -1.53 0.00 0.00 36.38 33.51 1com s VAL 56 CO 0.76 -0.07 1.04 -0.36 -3.33 0.00 0.00 175.10 173.15 1com s PHE 57 N -3.83 3.65 0.54 1.54 0.08 -1.26 -4.92 117.98 113.77 1com s PHE 57 Ca 0.06 1.63 0.26 0.00 0.12 0.00 0.00 56.93 59.00 1com s PHE 57 Cb -0.02 -3.19 1.42 0.00 -0.57 0.00 0.00 43.02 40.66 1com s PHE 57 CO -0.05 -0.32 1.99 -1.35 -0.10 0.00 0.00 175.22 175.38 1com h PRO 58 N 6.07 0.00 0.00 0.24 0.11 -1.96 -1.73 132.00 134.73 1com h PRO 58 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1com h PRO 58 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1com h PRO 58 CO 0.75 0.00 0.14 0.00 -0.21 0.00 0.00 178.00 178.68 1com h ALA 59 N 1.71 1.14 -0.22 -0.75 0.00 -1.95 -0.57 119.26 118.61 1com h ALA 59 Ca 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1com h ALA 59 Cb 1.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1com h ALA 59 CO -0.00 -0.14 -0.12 -0.22 0.00 0.00 0.00 179.25 178.77 1com h LYS 60 N 0.00 0.36 0.00 0.00 3.64 -1.71 -2.77 116.57 116.09 1com h LYS 60 Ca 0.00 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1com h LYS 60 Cb 0.29 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1com h LYS 60 CO 0.00 0.49 -0.05 0.00 -2.27 0.00 0.00 179.45 177.62 1com h ALA 61 N 1.54 1.09 0.00 5.00 0.00 -1.31 -2.05 119.26 123.53 1com h ALA 61 Ca 0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1com h ALA 61 Cb 0.42 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1com h ALA 61 CO 0.02 0.06 -0.19 0.28 0.00 0.00 0.00 179.25 179.43 1com h VAL 62 N 0.00 0.64 0.00 0.00 2.07 -1.64 -1.20 116.25 116.12 1com h VAL 62 Ca -0.00 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 1com h VAL 62 Cb 0.34 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1com h VAL 62 CO 0.01 0.19 -0.15 0.03 0.02 0.00 0.00 177.57 177.67 1com h ARG 63 N 0.00 0.00 0.00 1.57 -0.00 -1.53 -2.74 114.38 111.68 1com h ARG 63 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1com h ARG 63 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.50 1com h ARG 63 CO 0.02 0.15 0.00 0.39 0.00 0.00 0.00 179.97 180.53 1com n GLU 64 N -3.90 0.74 -4.12 0.04 1.02 -0.45 -4.56 120.64 109.40 1com n GLU 64 Ca -0.02 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.78 1com n GLU 64 Cb 0.24 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.01 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 -2.02 2.70 0.29 -4.62 1.43 -1.03 -5.08 118.68 110.34 1com s LEU 65 Ca 0.36 -0.43 -0.29 0.00 -1.03 0.00 0.00 54.13 52.73 1com s LEU 65 Cb 0.17 -1.66 -0.10 0.00 0.03 0.00 0.00 46.19 44.63 1com s LEU 65 CO 0.28 0.02 1.17 -0.94 0.23 0.00 0.00 176.35 177.11 1com s SER 66 N 1.21 7.11 0.00 2.29 1.04 -1.26 -2.94 113.70 121.14 1com s SER 66 Ca 0.02 2.40 0.00 0.00 0.48 0.00 0.00 55.95 58.85 1com s SER 66 Cb -0.14 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.34 1com s SER 66 CO -0.03 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1com n GLY 67 N 1.14 3.38 0.55 7.32 0.00 -1.26 -4.90 105.19 111.41 1com n GLY 67 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.78 0.39 0.23 1.61 7.02 -1.15 -4.38 117.44 119.38 1com n TRP 68 Ca 0.00 -0.17 0.08 0.00 -1.02 0.00 0.00 57.50 56.39 1com n TRP 68 Cb 0.00 -0.05 0.39 0.00 -2.42 0.00 0.00 31.31 29.23 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 0.19 0.10 -0.05 -0.99 0.00 -1.26 -2.36 117.38 113.02 1com n GLN 69 Ca 0.08 0.50 0.06 0.00 0.00 0.00 0.00 57.00 57.65 1com n GLN 69 Cb 0.28 -1.77 0.09 0.00 0.00 0.00 0.00 30.24 28.84 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 -1.97 0.00 -2.58 2.61 4.01 -1.26 -4.98 117.16 112.99 1com n TYR 70 Ca 0.00 -0.82 -0.43 0.00 -0.16 0.00 0.00 57.90 56.50 1com n TYR 70 Cb 0.09 -0.11 -0.02 0.00 -0.31 0.00 0.00 39.34 38.99 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 -2.20 4.53 -0.03 -0.72 1.01 -0.99 -4.97 120.40 117.03 1com s VAL 71 Ca 0.21 1.85 -0.33 0.00 0.00 0.00 0.00 61.98 63.71 1com s VAL 71 Cb 0.18 -4.21 -0.11 0.00 0.00 0.00 0.00 36.38 32.24 1com s VAL 71 CO 0.02 -0.18 1.90 -2.65 0.00 0.00 0.00 175.10 174.19 1com n PRO 72 N 6.45 2.43 -4.22 2.72 -0.02 -1.26 -4.90 135.00 136.20 1com n PRO 72 Ca 0.13 0.89 -0.16 0.00 -2.02 0.00 0.00 63.50 62.33 1com n PRO 72 Cb 0.46 -2.77 -0.14 0.00 -0.02 0.00 0.00 33.50 31.02 1com n PRO 72 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1com s VAL 73 N 4.06 0.59 0.00 -1.45 1.01 -1.26 -0.84 120.40 122.51 1com s VAL 73 Ca 0.91 -0.51 -0.18 0.00 0.00 0.00 0.00 61.98 62.20 1com s VAL 73 Cb -0.60 -0.53 0.03 0.00 0.00 0.00 0.00 36.38 35.28 1com s VAL 73 CO 0.48 0.03 0.39 0.28 0.00 0.00 0.00 175.10 176.28 1com s THR 74 N -0.46 0.05 0.53 3.92 -1.32 -1.09 -5.00 115.64 112.27 1com s THR 74 Ca 0.00 -0.43 0.09 0.00 -1.21 0.00 0.00 61.69 60.14 1com s THR 74 Cb -0.05 -0.79 0.06 0.00 -1.51 0.00 0.00 72.50 70.21 1com s THR 74 CO 0.00 -0.24 0.71 0.00 -2.21 0.00 0.00 174.62 172.88 1com s MET 76 N -4.55 1.57 -0.13 0.00 0.23 -0.23 -4.84 119.30 111.35 1com s MET 76 Ca 0.59 -0.90 -0.05 0.00 -1.03 0.00 0.00 55.69 54.30 1com s MET 76 Cb -0.07 0.52 -0.04 0.00 -1.53 0.00 0.00 34.83 33.71 1com s MET 76 CO 0.36 -0.72 0.05 -1.14 -2.03 0.00 0.00 175.02 171.55 1com s GLN 77 N -3.40 3.47 0.51 3.16 0.74 -1.26 -2.90 119.66 119.97 1com s GLN 77 Ca 0.13 -0.32 -0.21 0.00 0.05 0.00 0.00 55.36 55.00 1com s GLN 77 Cb -0.04 -3.04 -0.06 0.00 1.10 0.00 0.00 33.01 30.97 1com s GLN 77 CO 0.06 0.56 1.17 -2.00 -0.55 0.00 0.00 175.29 174.52 1com s GLU 78 N -0.44 3.49 0.36 1.67 2.56 -0.27 -4.89 118.70 121.18 1com s GLU 78 Ca 0.09 1.74 -0.25 0.00 0.00 0.00 0.00 54.97 56.55 1com s GLU 78 Cb -0.12 -2.20 -0.09 0.00 2.00 0.00 0.00 34.13 33.72 1com s GLU 78 CO 0.02 -0.77 1.04 0.00 -0.56 0.00 0.00 175.26 174.99 1com s MET 79 N -3.00 4.33 -0.53 4.30 0.23 -1.26 -4.48 119.30 118.89 1com s MET 79 Ca 0.69 1.53 -0.24 0.00 -1.03 0.00 0.00 55.69 56.64 1com s MET 79 Cb -0.28 -2.71 0.04 0.00 -1.53 0.00 0.00 34.83 30.35 1com s MET 79 CO 0.32 0.00 0.91 0.34 -2.03 0.00 0.00 175.02 174.56 1com s ASP 80 N -1.45 6.35 0.05 -1.18 2.15 -1.26 -4.95 116.67 116.38 1com s ASP 80 Ca 0.54 -0.34 0.02 0.00 0.43 0.00 0.00 52.55 53.20 1com s ASP 80 Cb -0.23 -2.42 -0.04 0.00 -0.30 0.00 0.00 42.92 39.93 1com s ASP 80 CO 0.29 -1.17 0.06 -0.69 -0.17 0.00 0.00 175.17 173.49 1com s VAL 81 N 3.79 4.44 -0.18 1.11 1.01 -1.26 -5.08 120.40 124.23 1com s VAL 81 Ca 0.30 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 1com s VAL 81 Cb -0.13 -3.09 -0.00 0.00 0.00 0.00 0.00 36.38 33.16 1com s VAL 81 CO 0.19 0.20 1.10 -0.89 0.00 0.00 0.00 175.10 175.70 1com s THR 82 N -1.30 4.57 0.00 3.92 2.01 -1.26 -3.36 115.64 120.23 1com s THR 82 Ca 0.26 1.89 0.00 0.00 0.31 0.00 0.00 61.69 64.15 1com s THR 82 Cb -0.12 -4.22 0.00 0.00 0.01 0.00 0.00 72.50 68.17 1com s THR 82 CO 0.18 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 1com n GLY 83 N 3.34 3.20 3.73 4.40 0.00 -1.26 -5.03 105.19 113.58 1com n GLY 83 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1com n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1com n GLY 84 N -0.80 0.64 3.73 -0.02 0.00 -1.21 -4.88 105.19 102.65 1com n GLY 84 Ca 0.00 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1com n GLY 84 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1com s LEU 85 N -3.97 4.37 0.67 0.99 2.96 -1.26 -4.96 118.68 117.48 1com s LEU 85 Ca 0.78 2.69 -0.08 0.00 -0.22 0.00 0.00 54.13 57.31 1com s LEU 85 Cb -0.40 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 42.72 1com s LEU 85 CO 0.44 -0.82 1.00 -0.54 -1.32 0.00 0.00 176.35 175.10 1com s LYS 86 N 0.63 2.59 -1.54 1.98 -0.14 -1.26 -4.37 119.74 117.64 1com s LYS 86 Ca 0.67 -0.00 -0.16 0.00 -1.36 0.00 0.00 55.97 55.13 1com s LYS 86 Cb -0.44 -2.17 0.13 0.00 -1.68 0.00 0.00 37.83 33.67 1com s LYS 86 CO 0.36 -1.01 0.70 1.63 -0.76 0.00 0.00 175.35 176.27 1com n LYS 87 N -2.83 -3.35 -4.18 1.68 5.02 -1.26 -4.89 118.16 108.35 1com n LYS 87 Ca 0.06 0.40 -0.34 0.00 -2.02 0.00 0.00 58.31 56.41 1com n LYS 87 Cb 0.59 -5.14 -0.10 0.00 -0.02 0.00 0.00 35.03 30.36 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 0.02 2.87 0.20 0.00 1.01 -0.85 -1.58 121.20 122.86 1com s ILE 89 Ca 0.04 -0.68 0.09 0.00 0.00 0.00 0.00 60.65 60.10 1com s ILE 89 Cb -0.13 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 1com s ILE 89 CO 0.01 0.48 -0.08 -0.13 0.00 0.00 0.00 174.94 175.23 1com s ARG 90 N 1.13 2.10 0.05 2.79 0.52 -0.17 -1.92 118.95 123.44 1com s ARG 90 Ca 0.01 -1.31 0.02 0.00 -0.52 0.00 0.00 55.73 53.93 1com s ARG 90 Cb -0.14 -2.15 -0.03 0.00 0.52 0.00 0.00 34.95 33.15 1com s ARG 90 CO -0.04 0.42 -0.07 0.54 0.02 0.00 0.00 175.30 176.17 1com s VAL 91 N -1.85 0.51 -0.31 3.52 0.11 -0.22 -0.84 120.40 121.32 1com s VAL 91 Ca 0.26 -1.16 -0.02 0.00 -2.93 0.00 0.00 61.98 58.14 1com s VAL 91 Cb -0.08 -0.69 0.10 0.00 -1.53 0.00 0.00 36.38 34.18 1com s VAL 91 CO 0.16 -0.45 0.13 -0.32 -3.33 0.00 0.00 175.10 171.29 1com s MET 92 N -1.81 0.46 -0.22 1.54 0.00 -0.35 -2.76 119.30 116.15 1com s MET 92 Ca -0.08 -0.86 -0.14 0.00 0.00 0.00 0.00 55.69 54.61 1com s MET 92 Cb -0.08 -1.54 -0.04 0.00 0.00 0.00 0.00 34.83 33.17 1com s MET 92 CO -0.00 -1.03 0.33 1.41 0.00 0.00 0.00 175.02 175.73 1com s MET 93 N 1.77 4.12 -0.40 4.11 1.75 -0.29 -1.29 119.30 129.06 1com s MET 93 Ca 0.10 0.05 -0.13 0.00 -1.25 0.00 0.00 55.69 54.47 1com s MET 93 Cb -0.17 -3.56 0.03 0.00 2.84 0.00 0.00 34.83 33.97 1com s MET 93 CO -0.28 -0.06 0.26 0.99 -0.65 0.00 0.00 175.02 175.28 1com s THR 94 N 1.40 4.82 0.16 10.11 2.01 -0.80 0.27 115.64 133.61 1com s THR 94 Ca 0.15 -0.87 0.09 0.00 0.31 0.00 0.00 61.69 61.38 1com s THR 94 Cb -0.15 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1com s THR 94 CO 0.07 -0.32 -0.16 0.68 -0.69 0.00 0.00 174.62 174.21 1com s VAL 95 N 1.59 2.89 -0.28 3.82 -7.23 0.67 -0.69 120.40 121.17 1com s VAL 95 Ca 0.03 -1.67 -0.29 0.00 -1.81 0.00 0.00 61.98 58.24 1com s VAL 95 Cb -0.20 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.36 1com s VAL 95 CO 0.07 -0.03 1.22 -1.58 -0.31 0.00 0.00 175.10 174.47 1com s GLN 96 N -2.54 4.03 -0.00 4.82 0.74 0.10 -0.82 119.66 125.99 1com s GLN 96 Ca 0.21 1.27 -0.14 0.00 0.05 0.00 0.00 55.36 56.76 1com s GLN 96 Cb -0.09 -3.81 0.02 0.00 1.10 0.00 0.00 33.01 30.23 1com s GLN 96 CO 0.12 -0.96 0.29 -0.08 -0.55 0.00 0.00 175.29 174.11 1com s THR 97 N 3.96 0.06 -0.53 -0.34 -1.32 -0.82 -4.93 115.64 111.72 1com s THR 97 Ca 0.52 -0.54 0.23 0.00 -1.21 0.00 0.00 61.69 60.70 1com s THR 97 Cb -0.16 -0.66 -0.03 0.00 -1.51 0.00 0.00 72.50 70.13 1com s THR 97 CO 0.19 -0.30 1.13 0.47 -2.21 0.00 0.00 174.62 173.90 1com n ASP 98 N 1.16 0.67 -4.69 8.08 8.00 -1.26 -0.21 116.55 128.29 1com n ASP 98 Ca -0.21 0.03 -0.44 0.00 0.71 0.00 0.00 54.79 54.88 1com n ASP 98 Cb 0.57 0.51 -0.04 0.00 -0.02 0.00 0.00 41.12 42.14 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 -2.17 0.10 -1.27 2.53 0.31 -1.26 -4.88 118.33 111.70 1com n VAL 99 Ca 0.02 -0.02 -0.36 0.00 -0.01 0.00 0.00 64.34 63.97 1com n VAL 99 Cb 0.46 -1.85 0.08 0.00 -0.91 0.00 0.00 33.84 31.62 1com n VAL 99 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1com n PRO 100 N 4.22 0.33 -0.24 5.55 -0.04 -1.26 -4.86 135.00 138.71 1com n PRO 100 Ca 0.17 0.16 0.04 0.00 -0.04 0.00 0.00 63.50 63.83 1com n PRO 100 Cb 0.33 -1.96 0.16 0.00 -0.04 0.00 0.00 33.50 31.99 1com n PRO 100 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1com h GLN 101 N -0.39 0.32 -0.06 0.54 4.15 -1.99 -0.90 115.11 116.78 1com h GLN 101 Ca -0.46 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1com h GLN 101 Cb 1.34 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.96 1com h GLN 101 CO 0.44 0.21 0.00 -0.40 -1.93 0.00 0.00 178.83 177.15 1com n ASP 102 N -5.09 0.41 -0.03 -0.69 5.68 -1.26 -3.19 116.55 112.38 1com n ASP 102 Ca 0.13 -1.75 0.04 0.00 -0.50 0.00 0.00 54.79 52.71 1com n ASP 102 Cb 0.41 -0.04 -0.04 0.00 -1.14 0.00 0.00 41.12 40.31 1com n ASP 102 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1com n GLN 103 N -0.39 3.99 -1.81 0.11 1.13 -0.35 -5.00 117.38 115.05 1com n GLN 103 Ca 0.08 -0.10 -0.42 0.00 -1.94 0.00 0.00 57.00 54.63 1com n GLN 103 Cb 0.10 -0.90 -0.02 0.00 0.11 0.00 0.00 30.24 29.52 1com n GLN 103 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1com s ILE 104 N -1.66 2.19 -0.48 5.09 -1.09 -1.19 -4.97 121.20 119.10 1com s ILE 104 Ca 0.04 0.15 -0.16 0.00 -2.23 0.00 0.00 60.65 58.45 1com s ILE 104 Cb 0.06 -3.10 0.07 0.00 -1.58 0.00 0.00 42.46 37.91 1com s ILE 104 CO 0.31 0.02 0.46 -0.13 -1.23 0.00 0.00 174.94 174.36 1com s ARG 105 N 0.25 3.02 -0.16 2.79 0.52 -1.26 -5.05 118.95 119.06 1com s ARG 105 Ca 0.67 -1.24 -0.22 0.00 -0.52 0.00 0.00 55.73 54.42 1com s ARG 105 Cb -0.47 -4.13 -0.03 0.00 0.52 0.00 0.00 34.95 30.85 1com s ARG 105 CO 0.40 -1.08 0.69 -1.01 0.02 0.00 0.00 175.30 174.33 1com s HIS 106 N 1.90 3.44 -0.21 -0.53 3.76 -1.26 -4.80 115.29 117.59 1com s HIS 106 Ca 0.07 1.09 -0.09 0.00 -0.15 0.00 0.00 55.06 55.98 1com s HIS 106 Cb -0.23 -2.85 -0.04 0.00 1.11 0.00 0.00 32.58 30.57 1com s HIS 106 CO 0.08 -0.12 0.10 0.08 -0.85 0.00 0.00 174.74 174.03 1com s VAL 107 N 1.69 4.98 -0.25 -0.90 1.01 -1.02 -4.93 120.40 120.99 1com s VAL 107 Ca 0.33 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.37 1com s VAL 107 Cb -0.16 -3.28 0.06 0.00 0.00 0.00 0.00 36.38 33.00 1com s VAL 107 CO 0.13 0.41 -0.07 -0.31 0.00 0.00 0.00 175.10 175.26 1com s TYR 108 N 0.68 2.83 0.45 5.22 1.51 -1.26 -1.27 117.35 125.51 1com s TYR 108 Ca 0.05 -2.08 0.08 0.00 -1.01 0.00 0.00 57.07 54.12 1com s TYR 108 Cb -0.13 -1.82 0.02 0.00 -0.11 0.00 0.00 41.96 39.93 1com s TYR 108 CO 0.01 -0.83 0.58 -0.51 -1.11 0.00 0.00 175.55 173.69 1com s LEU 109 N 1.25 3.48 0.00 -1.29 1.43 0.23 -3.97 118.68 119.81 1com s LEU 109 Ca -0.06 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 1com s LEU 109 Cb -0.19 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.71 1com s LEU 109 CO -0.06 -0.87 0.00 -0.62 0.23 0.00 0.00 176.35 175.03 1com n GLU 110 N -1.88 0.00 0.00 1.70 -0.58 -1.26 -1.02 120.64 117.60 1com n GLU 110 Ca 0.09 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.94 1com n GLU 110 Cb 0.60 0.00 0.52 0.00 -0.57 0.00 0.00 31.44 31.99 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 0.04 0.02 3.49 5.02 -1.26 -3.07 118.16 136.40 1com n LYS 111 Ca 0.00 0.09 0.11 0.00 -2.02 0.00 0.00 58.31 56.49 1com n LYS 111 Cb 0.00 -1.50 0.47 0.00 -0.02 0.00 0.00 35.03 33.98 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 2.02 0.14 7.82 0.00 -0.19 -2.77 120.51 126.05 1com n ALA 112 Ca 0.06 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.53 1com n ALA 112 Cb 0.27 -1.38 0.45 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.64 1.10 1.80 0.00 0.24 -1.17 -0.52 118.33 118.13 1com n VAL 113 Ca 0.05 0.70 0.14 0.00 -2.04 0.00 0.00 64.34 63.20 1com n VAL 113 Cb 0.28 -1.70 0.75 0.00 -1.47 0.00 0.00 33.84 31.70 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 -2.08 0.01 1.22 3.34 3.14 -1.12 -5.09 118.33 117.76 1com n VAL 114 Ca -0.01 -0.10 0.13 0.00 -2.96 0.00 0.00 64.34 61.40 1com n VAL 114 Cb 0.09 -0.12 0.29 0.00 -1.06 0.00 0.00 33.84 33.04 1com n VAL 114 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55