#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ioi s LYS 2 N 0.00 1.59 -0.11 0.03 1.02 -1.26 -1.99 119.74 119.03 1ioi s LYS 2 Ca 0.00 -0.62 -0.00 0.00 0.02 0.00 0.00 55.97 55.37 1ioi s LYS 2 Cb 0.00 -1.46 0.02 0.00 -0.52 0.00 0.00 37.83 35.87 1ioi s LYS 2 CO 0.00 0.32 -0.08 0.08 -0.92 0.00 0.00 175.35 174.75 1ioi s VAL 3 N -0.20 1.02 -0.01 3.17 1.01 0.10 -1.16 120.40 124.33 1ioi s VAL 3 Ca 0.02 -0.29 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 1ioi s VAL 3 Cb -0.09 -1.03 -0.06 0.00 0.00 0.00 0.00 36.38 35.21 1ioi s VAL 3 CO 0.01 0.36 0.41 -0.22 0.00 0.00 0.00 175.10 175.66 1ioi s LEU 4 N 1.61 4.47 -0.05 3.92 0.20 -0.76 0.08 118.68 128.15 1ioi s LEU 4 Ca 0.03 0.95 -0.00 0.00 0.69 0.00 0.00 54.13 55.80 1ioi s LEU 4 Cb -0.13 -2.59 0.03 0.00 -0.43 0.00 0.00 46.19 43.07 1ioi s LEU 4 CO -0.07 0.31 -0.00 -0.69 -0.29 0.00 0.00 176.35 175.61 1ioi s VAL 5 N -0.99 0.29 0.25 1.68 1.01 -0.14 -1.27 120.40 121.23 1ioi s VAL 5 Ca 0.24 0.10 0.10 0.00 0.00 0.00 0.00 61.98 62.42 1ioi s VAL 5 Cb -0.17 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.75 1ioi s VAL 5 CO 0.13 0.21 -0.10 0.42 0.00 0.00 0.00 175.10 175.76 1ioi s THR 6 N 1.50 3.03 0.23 3.92 -4.23 -0.49 -0.28 115.64 119.31 1ioi s THR 6 Ca -0.03 -2.04 -0.05 0.00 -1.18 0.00 0.00 61.69 58.40 1ioi s THR 6 Cb -0.13 -2.58 -0.02 0.00 1.34 0.00 0.00 72.50 71.10 1ioi s THR 6 CO -0.03 -0.32 0.28 -0.83 -0.54 0.00 0.00 174.62 173.18 1ioi s GLY 7 N -3.42 1.14 0.15 3.99 0.00 -0.38 -2.22 107.32 106.58 1ioi s GLY 7 Ca 0.29 -1.40 0.09 0.00 0.00 0.00 0.00 44.72 43.70 1ioi s GLY 7 CO 0.17 -1.10 -0.14 -1.36 0.00 0.00 0.00 173.10 170.67 1ioi s PHE 8 N -4.03 2.58 0.86 1.90 0.40 -1.26 -0.52 117.98 117.90 1ioi s PHE 8 Ca 0.33 -0.24 -0.10 0.00 -0.60 0.00 0.00 56.93 56.31 1ioi s PHE 8 Cb 0.04 -1.31 0.11 0.00 0.51 0.00 0.00 43.02 42.37 1ioi s PHE 8 CO 0.12 0.46 1.13 -1.83 0.70 0.00 0.00 175.22 175.80 1ioi s GLU 9 N -2.50 1.50 0.46 0.44 -1.05 -1.16 -2.77 118.70 113.61 1ioi s GLU 9 Ca 0.22 1.43 -0.25 0.00 -0.15 0.00 0.00 54.97 56.21 1ioi s GLU 9 Cb -0.10 -1.79 -0.08 0.00 -0.44 0.00 0.00 34.13 31.72 1ioi s GLU 9 CO 0.13 -2.25 1.43 -1.25 0.95 0.00 0.00 175.26 174.26 1ioi s PRO 10 N -4.70 3.64 0.24 -4.83 0.04 -1.26 -4.79 135.00 123.34 1ioi s PRO 10 Ca 0.65 2.42 0.01 0.00 0.04 0.00 0.00 61.00 64.12 1ioi s PRO 10 Cb -0.21 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.66 1ioi s PRO 10 CO 0.57 -0.86 0.12 -0.59 0.04 0.00 0.00 177.00 176.28 1ioi s PHE 11 N -1.21 1.41 -0.99 0.56 -0.71 -1.26 -4.92 117.98 110.87 1ioi s PHE 11 Ca 0.62 -1.29 -0.06 0.00 -1.04 0.00 0.00 56.93 55.15 1ioi s PHE 11 Cb -0.44 -0.76 0.06 0.00 -1.21 0.00 0.00 43.02 40.67 1ioi s PHE 11 CO 0.56 -0.49 0.16 0.41 -1.34 0.00 0.00 175.22 174.52 1ioi n GLY 12 N -0.41 -0.14 1.69 1.99 0.00 -1.26 -1.28 105.19 105.77 1ioi n GLY 12 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1ioi n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ioi n GLY 13 N -1.41 0.80 3.75 -0.02 0.00 -1.26 -5.01 105.19 102.04 1ioi n GLY 13 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1ioi n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ioi s GLU 14 N -0.44 4.62 0.29 1.61 0.41 -0.40 -4.91 118.70 119.88 1ioi s GLU 14 Ca 0.00 1.75 0.15 0.00 -0.41 0.00 0.00 54.97 56.47 1ioi s GLU 14 Cb 0.00 -3.23 0.17 0.00 -1.78 0.00 0.00 34.13 29.29 1ioi s GLU 14 CO 0.00 0.15 1.49 -0.22 -0.49 0.00 0.00 175.26 176.19 1ioi h LYS 15 N 4.47 0.00 -3.24 1.61 3.11 -1.95 -3.39 116.57 117.18 1ioi h LYS 15 Ca -0.45 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.25 1ioi h LYS 15 Cb 1.21 0.00 -0.21 0.00 -1.00 0.00 0.00 32.23 32.24 1ioi h LYS 15 CO 0.70 0.52 -0.37 -1.50 -2.81 0.00 0.00 179.45 175.98 1ioi s ILE 16 N -3.07 0.06 -0.25 2.00 -1.16 -1.26 -4.90 121.20 112.63 1ioi s ILE 16 Ca 0.03 -0.54 0.01 0.00 -0.51 0.00 0.00 60.65 59.64 1ioi s ILE 16 Cb 0.08 -0.52 0.06 0.00 0.61 0.00 0.00 42.46 42.69 1ioi s ILE 16 CO 0.74 -0.29 -0.04 0.21 -2.81 0.00 0.00 174.94 172.74 1ioi s ASN 17 N -1.26 3.99 0.50 4.50 3.84 -1.26 -4.71 114.94 120.54 1ioi s ASN 17 Ca -0.13 -1.29 0.20 0.00 0.21 0.00 0.00 52.86 51.84 1ioi s ASN 17 Cb -0.06 -1.23 1.08 0.00 -0.55 0.00 0.00 41.25 40.48 1ioi s ASN 17 CO 0.03 -0.25 1.56 1.55 -2.79 0.00 0.00 177.10 177.20 1ioi h PRO 18 N 7.92 0.00 0.00 0.43 0.13 -1.94 -2.71 132.00 135.83 1ioi h PRO 18 Ca -0.17 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.78 1ioi h PRO 18 Cb 1.06 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 1ioi h PRO 18 CO 0.43 0.00 -1.03 1.79 -0.23 0.00 0.00 178.00 178.95 1ioi h THR 19 N 0.00 1.13 0.40 1.56 1.35 -1.93 -1.81 112.91 113.61 1ioi h THR 19 Ca 0.00 -2.73 -0.02 0.00 -0.55 0.00 0.00 66.41 63.11 1ioi h THR 19 Cb 0.73 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.68 1ioi h THR 19 CO 0.00 0.65 -0.19 -0.08 -0.25 0.00 0.00 175.52 175.64 1ioi h GLU 20 N 0.00 -0.51 -0.57 4.72 4.81 -1.29 -0.15 114.58 121.58 1ioi h GLU 20 Ca -0.08 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1ioi h GLU 20 Cb 1.67 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 31.14 1ioi h GLU 20 CO 0.09 -0.34 0.26 -0.09 -0.73 0.00 0.00 179.01 178.20 1ioi h ARG 21 N -0.54 0.81 -0.64 1.92 2.43 -1.64 -1.90 114.38 114.83 1ioi h ARG 21 Ca -0.05 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 58.93 1ioi h ARG 21 Cb 0.41 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 1ioi h ARG 21 CO 0.09 0.64 0.09 0.82 -1.51 0.00 0.00 179.97 180.10 1ioi h ILE 22 N 0.81 1.26 -0.54 1.20 2.04 -1.12 -1.26 117.51 119.89 1ioi h ILE 22 Ca 0.20 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 1ioi h ILE 22 Cb 0.10 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1ioi h ILE 22 CO -0.02 0.39 0.31 0.00 0.00 0.00 0.00 178.15 178.83 1ioi h ALA 23 N 1.10 0.69 0.00 1.87 0.00 -0.62 -2.17 119.26 120.13 1ioi h ALA 23 Ca 0.19 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1ioi h ALA 23 Cb 0.45 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ioi h ALA 23 CO 0.01 0.19 -0.45 0.87 0.00 0.00 0.00 179.25 179.87 1ioi h LYS 24 N 0.72 0.00 0.00 0.00 1.57 -1.31 -2.48 116.57 115.07 1ioi h LYS 24 Ca 0.19 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1ioi h LYS 24 Cb 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1ioi h LYS 24 CO -0.03 0.45 -0.62 -0.44 -0.57 0.00 0.00 179.45 178.24 1ioi h ASP 25 N 0.00 0.00 -0.02 0.86 3.45 -0.93 -3.29 116.42 116.49 1ioi h ASP 25 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1ioi h ASP 25 Cb 0.95 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.72 1ioi h ASP 25 CO 0.06 0.06 -0.13 0.18 -1.57 0.00 0.00 179.24 177.85 1ioi n LEU 26 N -2.88 2.63 -4.67 1.55 4.77 -0.84 -4.87 117.00 112.68 1ioi n LEU 26 Ca 0.01 -0.89 -0.43 0.00 -0.03 0.00 0.00 56.01 54.67 1ioi n LEU 26 Cb 0.57 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.63 1ioi n LEU 26 CO 0.38 0.45 1.04 -0.62 -1.33 0.00 0.00 177.39 177.31 1ioi s ASP 27 N -2.13 6.97 0.00 -1.43 3.68 -0.95 -2.74 116.67 120.07 1ioi s ASP 27 Ca 0.26 1.77 0.00 0.00 2.13 0.00 0.00 52.55 56.72 1ioi s ASP 27 Cb 0.20 -2.55 0.00 0.00 -1.45 0.00 0.00 42.92 39.12 1ioi s ASP 27 CO 0.38 -0.69 0.00 0.61 0.13 0.00 0.00 175.17 175.59 1ioi n GLY 28 N 3.53 0.69 3.99 2.66 0.00 0.00 -4.91 105.19 111.15 1ioi n GLY 28 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 1ioi n GLY 28 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ioi s ILE 29 N -2.28 2.30 -0.01 -0.61 -5.25 -1.11 -4.86 121.20 109.38 1ioi s ILE 29 Ca 0.00 -0.65 0.01 0.00 -0.99 0.00 0.00 60.65 59.02 1ioi s ILE 29 Cb 0.00 -2.65 0.01 0.00 2.95 0.00 0.00 42.46 42.77 1ioi s ILE 29 CO 0.00 0.00 -0.02 -0.54 -1.79 0.00 0.00 174.94 172.59 1ioi s LYS 30 N -4.99 0.25 -0.58 0.37 1.02 -1.26 -1.78 119.74 112.77 1ioi s LYS 30 Ca 0.63 -0.03 -0.02 0.00 0.02 0.00 0.00 55.97 56.58 1ioi s LYS 30 Cb -0.07 -0.31 0.15 0.00 -0.52 0.00 0.00 37.83 37.08 1ioi s LYS 30 CO 0.42 -0.02 0.38 0.42 -0.92 0.00 0.00 175.35 175.63 1ioi s ILE 31 N 0.36 3.48 0.00 2.17 -1.09 -0.59 -4.93 121.20 120.60 1ioi s ILE 31 Ca -0.03 -2.88 0.00 0.00 -2.23 0.00 0.00 60.65 55.50 1ioi s ILE 31 Cb -0.06 -3.30 0.00 0.00 -1.58 0.00 0.00 42.46 37.52 1ioi s ILE 31 CO -0.01 -0.84 0.00 0.61 -1.23 0.00 0.00 174.94 173.47 1ioi n GLY 32 N 3.59 2.88 0.34 6.18 0.00 -1.26 -2.18 105.19 114.75 1ioi n GLY 32 Ca 0.06 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.93 1ioi n GLY 32 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ioi h ASP 33 N 0.00 0.50 -3.37 1.61 2.03 -1.99 -3.45 116.42 111.75 1ioi h ASP 33 Ca 0.00 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.74 1ioi h ASP 33 Cb 0.00 -0.11 -0.05 0.00 -0.83 0.00 0.00 39.33 38.35 1ioi h ASP 33 CO 0.00 0.32 0.19 0.00 -1.03 0.00 0.00 179.24 178.72 1ioi s ALA 34 N -5.52 3.32 -0.00 4.15 0.00 -0.92 -4.48 121.76 118.31 1ioi s ALA 34 Ca -0.09 0.20 -0.22 0.00 0.00 0.00 0.00 51.96 51.86 1ioi s ALA 34 Cb 0.19 -3.07 -0.05 0.00 0.00 0.00 0.00 23.12 20.19 1ioi s ALA 34 CO 0.75 -0.21 0.63 -1.14 0.00 0.00 0.00 175.76 175.80 1ioi s GLN 35 N 1.03 4.36 -0.11 0.00 -0.44 -0.84 -1.55 119.66 122.11 1ioi s GLN 35 Ca 0.40 0.80 -0.01 0.00 -2.50 0.00 0.00 55.36 54.05 1ioi s GLN 35 Cb -0.18 -3.35 -0.03 0.00 -1.64 0.00 0.00 33.01 27.81 1ioi s GLN 35 CO 0.19 0.33 -0.05 0.08 0.50 0.00 0.00 175.29 176.34 1ioi s VAL 36 N -0.09 3.79 -0.07 1.34 1.01 -0.73 -0.72 120.40 124.94 1ioi s VAL 36 Ca 0.33 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.93 1ioi s VAL 36 Cb -0.19 -2.60 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 1ioi s VAL 36 CO 0.18 0.55 -0.21 -0.36 0.00 0.00 0.00 175.10 175.27 1ioi s PHE 37 N -0.28 2.14 -0.13 5.22 0.40 0.11 -0.82 117.98 124.62 1ioi s PHE 37 Ca 0.04 -0.72 0.02 0.00 -0.60 0.00 0.00 56.93 55.68 1ioi s PHE 37 Cb -0.13 -1.43 0.01 0.00 0.51 0.00 0.00 43.02 41.98 1ioi s PHE 37 CO 0.02 -0.26 -0.18 0.20 0.70 0.00 0.00 175.22 175.70 1ioi s GLY 38 N 0.12 1.21 0.01 4.36 0.00 -1.26 -0.96 107.32 110.80 1ioi s GLY 38 Ca -0.09 -0.93 0.02 0.00 0.00 0.00 0.00 44.72 43.72 1ioi s GLY 38 CO 0.05 0.13 -0.07 0.50 0.00 0.00 0.00 173.10 173.71 1ioi s ARG 39 N 0.95 0.49 -0.25 2.90 1.81 0.61 -4.69 118.95 120.76 1ioi s ARG 39 Ca -0.06 -0.42 -0.10 0.00 -1.72 0.00 0.00 55.73 53.43 1ioi s ARG 39 Cb -0.15 -0.39 -0.04 0.00 -0.45 0.00 0.00 34.95 33.91 1ioi s ARG 39 CO -0.03 0.10 0.15 0.08 -0.68 0.00 0.00 175.30 174.91 1ioi s VAL 40 N -0.62 5.07 0.22 3.52 1.01 -1.26 -1.25 120.40 127.09 1ioi s VAL 40 Ca -0.02 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 61.95 1ioi s VAL 40 Cb -0.05 -3.38 -0.07 0.00 0.00 0.00 0.00 36.38 32.88 1ioi s VAL 40 CO 0.00 0.31 0.53 -0.76 0.00 0.00 0.00 175.10 175.18 1ioi s LEU 41 N 1.42 4.17 0.55 3.92 1.43 0.32 -4.92 118.68 125.57 1ioi s LEU 41 Ca 0.07 0.87 -0.21 0.00 -1.03 0.00 0.00 54.13 53.83 1ioi s LEU 41 Cb -0.15 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.39 1ioi s LEU 41 CO 0.07 -0.06 1.27 -2.16 0.23 0.00 0.00 176.35 175.69 1ioi s PRO 42 N -2.83 3.15 -1.21 1.29 0.04 -1.26 -3.00 135.00 131.18 1ioi s PRO 42 Ca 0.46 2.01 -0.07 0.00 0.04 0.00 0.00 61.00 63.44 1ioi s PRO 42 Cb -0.11 -2.15 0.22 0.00 0.04 0.00 0.00 34.50 32.50 1ioi s PRO 42 CO 0.22 -1.11 1.74 0.28 0.04 0.00 0.00 177.00 178.17 1ioi n VAL 43 N -1.18 4.72 -3.53 -0.36 0.31 -1.26 -4.42 118.33 112.62 1ioi n VAL 43 Ca 0.11 -4.96 -0.13 0.00 -0.01 0.00 0.00 64.34 59.35 1ioi n VAL 43 Cb 0.47 -2.25 -0.11 0.00 -0.91 0.00 0.00 33.84 31.04 1ioi n VAL 43 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1ioi s VAL 44 N -0.80 -0.48 0.36 2.52 1.01 -1.26 0.40 120.40 122.16 1ioi s VAL 44 Ca 0.36 0.06 -0.28 0.00 0.00 0.00 0.00 61.98 62.13 1ioi s VAL 44 Cb 0.08 -0.64 -0.12 0.00 0.00 0.00 0.00 36.38 35.70 1ioi s VAL 44 CO 0.04 -0.04 1.39 0.49 0.00 0.00 0.00 175.10 176.98 1ioi n PHE 45 N 5.35 2.63 0.00 5.22 3.01 -1.26 -0.65 117.46 131.76 1ioi n PHE 45 Ca -0.06 0.50 0.00 0.00 1.01 0.00 0.00 57.45 58.90 1ioi n PHE 45 Cb 0.50 -2.47 0.00 0.00 -0.01 0.00 0.00 39.48 37.49 1ioi n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ioi n GLY 46 N 0.61 2.01 0.30 1.37 0.00 -1.26 -4.59 105.19 103.64 1ioi n GLY 46 Ca 0.03 -0.39 0.03 0.00 0.00 0.00 0.00 46.02 45.69 1ioi n GLY 46 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ioi h LYS 47 N 0.00 0.73 -0.72 1.61 3.64 -1.96 -1.28 116.57 118.60 1ioi h LYS 47 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1ioi h LYS 47 Cb 0.00 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.62 1ioi h LYS 47 CO 0.00 0.49 0.46 0.00 -2.27 0.00 0.00 179.45 178.12 1ioi h ALA 48 N 1.46 1.44 -0.35 5.00 0.00 -1.09 -1.59 119.26 124.13 1ioi h ALA 48 Ca 0.40 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 1ioi h ALA 48 Cb 0.39 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ioi h ALA 48 CO -0.26 0.50 0.06 -0.22 0.00 0.00 0.00 179.25 179.33 1ioi h LYS 49 N 0.99 0.58 0.71 0.00 3.64 -1.51 0.62 116.57 121.59 1ioi h LYS 49 Ca 0.26 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1ioi h LYS 49 Cb -0.08 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1ioi h LYS 49 CO -0.05 0.65 -0.34 1.49 -2.27 0.00 0.00 179.45 178.92 1ioi h GLU 50 N 0.42 -0.92 -0.66 1.90 4.81 -1.29 0.15 114.58 118.99 1ioi h GLU 50 Ca 0.11 0.06 0.13 0.00 -0.13 0.00 0.00 59.36 59.52 1ioi h GLU 50 Cb 0.35 0.21 -0.09 0.00 0.63 0.00 0.00 28.75 29.85 1ioi h GLU 50 CO 0.01 -0.61 0.19 0.28 -0.73 0.00 0.00 179.01 178.14 1ioi h VAL 51 N -0.96 0.64 -0.11 0.32 2.07 -1.33 -1.61 116.25 115.27 1ioi h VAL 51 Ca -0.10 -0.11 -0.11 0.00 0.82 0.00 0.00 66.70 67.20 1ioi h VAL 51 Cb 0.73 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1ioi h VAL 51 CO 0.16 0.06 -0.44 0.25 0.02 0.00 0.00 177.57 177.61 1ioi h LEU 52 N 0.33 0.27 -0.02 2.57 7.12 -0.70 -2.67 115.31 122.21 1ioi h LEU 52 Ca 0.36 -0.12 -0.26 0.00 0.13 0.00 0.00 57.88 57.98 1ioi h LEU 52 Cb 0.54 -0.07 0.02 0.00 -0.53 0.00 0.00 40.66 40.61 1ioi h LEU 52 CO -0.41 0.68 -1.08 -0.33 -0.13 0.00 0.00 178.44 177.17 1ioi h GLU 53 N 0.21 0.56 -0.23 1.25 5.08 -0.12 -2.36 114.58 118.96 1ioi h GLU 53 Ca 0.02 -0.66 0.06 0.00 -1.00 0.00 0.00 59.36 57.77 1ioi h GLU 53 Cb 0.87 0.20 -0.06 0.00 0.50 0.00 0.00 28.75 30.26 1ioi h GLU 53 CO 0.07 1.27 -0.15 0.87 -1.00 0.00 0.00 179.01 180.06 1ioi h LYS 54 N 0.29 -0.13 -0.22 2.33 1.57 -1.32 -1.13 116.57 117.96 1ioi h LYS 54 Ca -0.13 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1ioi h LYS 54 Cb 1.74 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 34.06 1ioi h LYS 54 CO 0.20 -0.09 0.10 1.15 -0.57 0.00 0.00 179.45 180.24 1ioi h THR 55 N -0.14 0.97 -0.48 -0.16 2.02 -1.49 0.29 112.91 113.94 1ioi h THR 55 Ca 0.13 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 67.19 1ioi h THR 55 Cb 0.33 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1ioi h THR 55 CO -0.32 0.04 0.09 -0.07 0.37 0.00 0.00 175.52 175.63 1ioi h LEU 56 N 0.21 0.69 0.05 2.58 3.38 -1.34 0.53 115.31 121.40 1ioi h LEU 56 Ca 0.09 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ioi h LEU 56 Cb 0.04 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1ioi h LEU 56 CO -0.08 0.70 -0.02 -0.08 0.09 0.00 0.00 178.44 179.05 1ioi h GLU 57 N 0.71 -0.07 -0.07 1.13 4.57 -0.62 0.36 114.58 120.59 1ioi h GLU 57 Ca 0.16 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1ioi h GLU 57 Cb 0.30 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1ioi h GLU 57 CO 0.00 0.18 0.00 1.49 -1.18 0.00 0.00 179.01 179.50 1ioi h GLU 58 N -0.31 0.12 0.06 1.92 4.22 -0.89 -3.32 114.58 116.39 1ioi h GLU 58 Ca -0.01 -0.04 -0.29 0.00 0.08 0.00 0.00 59.36 59.10 1ioi h GLU 58 Cb 0.27 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1ioi h GLU 58 CO 0.01 0.39 -1.55 0.82 -2.18 0.00 0.00 179.01 176.51 1ioi h ILE 59 N -0.16 1.10 -6.69 2.32 1.08 -0.98 -3.49 117.51 110.68 1ioi h ILE 59 Ca 0.02 -2.82 -0.54 0.00 -0.39 0.00 0.00 64.86 61.13 1ioi h ILE 59 Cb 0.33 2.65 -0.02 0.00 -3.07 0.00 0.00 36.82 36.71 1ioi h ILE 59 CO 0.00 0.75 -0.97 0.29 -0.69 0.00 0.00 178.15 177.53 1ioi n LYS 60 N -3.32 -1.05 -1.67 2.37 5.02 0.13 -4.93 118.16 114.71 1ioi n LYS 60 Ca -0.15 0.23 -0.32 0.00 -2.02 0.00 0.00 58.31 56.05 1ioi n LYS 60 Cb 1.03 -3.41 0.05 0.00 -0.02 0.00 0.00 35.03 32.68 1ioi n LYS 60 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1ioi s PRO 61 N -6.89 2.79 0.08 1.97 0.04 -1.26 -4.92 135.00 126.82 1ioi s PRO 61 Ca 0.36 1.24 0.11 0.00 0.04 0.00 0.00 61.00 62.75 1ioi s PRO 61 Cb -0.17 -1.96 -0.16 0.00 0.04 0.00 0.00 34.50 32.25 1ioi s PRO 61 CO 0.93 -1.24 1.04 -0.44 0.04 0.00 0.00 177.00 177.34 1ioi h ASP 62 N -0.27 0.00 -3.47 6.66 3.32 -1.50 -3.35 116.42 117.81 1ioi h ASP 62 Ca -0.46 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.19 1ioi h ASP 62 Cb 1.23 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.44 1ioi h ASP 62 CO 0.54 0.86 -0.77 -0.63 -1.72 0.00 0.00 179.24 177.52 1ioi s ILE 63 N -2.75 0.51 -0.09 0.35 1.01 -1.18 -0.88 121.20 118.17 1ioi s ILE 63 Ca -0.01 -0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.57 1ioi s ILE 63 Cb 0.09 -0.54 0.00 0.00 0.01 0.00 0.00 42.46 42.02 1ioi s ILE 63 CO 0.81 0.22 -0.21 0.00 0.00 0.00 0.00 174.94 175.76 1ioi s ALA 64 N 0.89 1.93 -0.17 9.38 0.00 0.06 -1.83 121.76 132.03 1ioi s ALA 64 Ca -0.12 -0.83 -0.00 0.00 0.00 0.00 0.00 51.96 51.01 1ioi s ALA 64 Cb -0.14 -0.75 0.04 0.00 0.00 0.00 0.00 23.12 22.26 1ioi s ALA 64 CO 0.00 0.23 -0.06 0.42 0.00 0.00 0.00 175.76 176.35 1ioi s ILE 65 N 0.45 1.18 -0.17 0.00 1.01 -0.40 -2.72 121.20 120.55 1ioi s ILE 65 Ca -0.17 -0.66 -0.06 0.00 0.00 0.00 0.00 60.65 59.76 1ioi s ILE 65 Cb -0.17 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 1ioi s ILE 65 CO 0.07 0.15 0.03 -1.00 0.00 0.00 0.00 174.94 174.19 1ioi s HIS 66 N 1.61 3.18 -0.01 3.97 3.76 -0.18 -1.40 115.29 126.22 1ioi s HIS 66 Ca 0.01 -0.04 0.05 0.00 -0.15 0.00 0.00 55.06 54.94 1ioi s HIS 66 Cb -0.15 -2.02 -0.01 0.00 1.11 0.00 0.00 32.58 31.50 1ioi s HIS 66 CO -0.08 0.12 -0.18 0.08 -0.85 0.00 0.00 174.74 173.83 1ioi s VAL 67 N 0.28 1.39 0.06 -0.90 1.01 -0.94 -0.50 120.40 120.79 1ioi s VAL 67 Ca 0.01 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 1ioi s VAL 67 Cb -0.13 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.10 1ioi s VAL 67 CO 0.01 0.38 0.23 -0.83 0.00 0.00 0.00 175.10 174.89 1ioi s GLY 68 N -0.44 0.00 -0.23 4.51 0.00 0.25 -4.12 107.32 107.28 1ioi s GLY 68 Ca 0.07 -0.30 -0.29 0.00 0.00 0.00 0.00 44.72 44.20 1ioi s GLY 68 CO -0.01 -0.49 1.30 -2.27 0.00 0.00 0.00 173.10 171.64 1ioi s LEU 69 N -2.32 4.02 -0.91 0.66 0.20 -1.26 -0.36 118.68 118.71 1ioi s LEU 69 Ca -0.02 1.45 -0.02 0.00 0.69 0.00 0.00 54.13 56.23 1ioi s LEU 69 Cb 0.01 -3.54 0.23 0.00 -0.43 0.00 0.00 46.19 42.46 1ioi s LEU 69 CO -0.06 -0.95 0.85 0.00 -0.29 0.00 0.00 176.35 175.90 1ioi n ALA 70 N 7.22 3.94 -1.67 5.97 0.00 -0.02 -4.88 120.51 131.06 1ioi n ALA 70 Ca 0.15 -4.63 -0.54 0.00 0.00 0.00 0.00 53.44 48.41 1ioi n ALA 70 Cb 0.46 -1.72 -0.06 0.00 0.00 0.00 0.00 19.45 18.12 1ioi n ALA 70 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ioi n PRO 71 N 2.14 1.31 0.00 0.00 -0.02 -1.26 -1.98 135.00 135.19 1ioi n PRO 71 Ca 0.23 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1ioi n PRO 71 Cb 0.37 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1ioi n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ioi n GLY 72 N 3.67 1.88 3.76 -1.23 0.00 -1.26 -5.01 105.19 107.00 1ioi n GLY 72 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 1ioi n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ioi s ARG 73 N -0.79 4.62 0.00 1.61 3.00 -0.84 -4.65 118.95 121.91 1ioi s ARG 73 Ca 0.00 1.57 0.22 0.00 0.00 0.00 0.00 55.73 57.52 1ioi s ARG 73 Cb 0.00 -3.04 -0.08 0.00 0.00 0.00 0.00 34.95 31.83 1ioi s ARG 73 CO 0.00 0.27 1.02 -1.13 0.00 0.00 0.00 175.30 175.46 1ioi n SER 74 N 0.97 1.51 -3.98 0.23 3.41 -1.26 -4.35 113.62 110.15 1ioi n SER 74 Ca 0.00 -1.24 -0.10 0.00 -0.26 0.00 0.00 58.87 57.28 1ioi n SER 74 Cb 0.47 0.70 -0.06 0.00 -0.26 0.00 0.00 64.21 65.06 1ioi n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ioi s ALA 75 N -2.73 -0.04 -0.01 7.33 0.00 -1.26 -4.92 121.76 120.13 1ioi s ALA 75 Ca 0.14 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 50.88 1ioi s ALA 75 Cb 0.17 1.00 -0.07 0.00 0.00 0.00 0.00 23.12 24.23 1ioi s ALA 75 CO 0.71 -0.73 1.69 0.42 0.00 0.00 0.00 175.76 177.84 1ioi s ILE 76 N -4.00 3.39 -0.25 0.00 1.01 -0.87 -4.23 121.20 116.25 1ioi s ILE 76 Ca 0.21 0.57 -0.05 0.00 0.00 0.00 0.00 60.65 61.38 1ioi s ILE 76 Cb 0.02 -3.37 -0.00 0.00 0.01 0.00 0.00 42.46 39.12 1ioi s ILE 76 CO 0.05 -0.04 0.01 -0.94 0.00 0.00 0.00 174.94 174.02 1ioi s SER 77 N 3.26 4.70 -0.40 3.58 1.04 -0.29 -0.47 113.70 125.11 1ioi s SER 77 Ca 0.75 -0.54 -0.21 0.00 0.48 0.00 0.00 55.95 56.43 1ioi s SER 77 Cb -0.36 -1.80 0.02 0.00 0.10 0.00 0.00 66.02 63.97 1ioi s SER 77 CO 0.32 -0.09 0.69 -0.63 0.98 0.00 0.00 173.24 174.50 1ioi s ILE 78 N 1.48 4.80 0.04 -1.02 1.01 0.96 -0.70 121.20 127.78 1ioi s ILE 78 Ca 0.04 0.44 -0.31 0.00 0.00 0.00 0.00 60.65 60.82 1ioi s ILE 78 Cb -0.16 -4.19 -0.07 0.00 0.01 0.00 0.00 42.46 38.06 1ioi s ILE 78 CO -0.01 -0.51 1.50 -1.61 0.00 0.00 0.00 174.94 174.32 1ioi s GLU 79 N 2.92 4.25 -0.02 2.79 0.41 -0.86 0.04 118.70 128.23 1ioi s GLU 79 Ca 0.26 2.13 -0.08 0.00 -0.41 0.00 0.00 54.97 56.87 1ioi s GLU 79 Cb -0.14 -3.54 -0.30 0.00 -1.78 0.00 0.00 34.13 28.38 1ioi s GLU 79 CO 0.18 -0.62 0.78 -0.09 -0.49 0.00 0.00 175.26 175.02 1ioi h ARG 80 N 7.89 0.34 -3.68 1.61 2.43 -1.39 -3.41 114.38 118.17 1ioi h ARG 80 Ca -0.40 -0.58 -0.36 0.00 -0.81 0.00 0.00 59.98 57.83 1ioi h ARG 80 Cb 1.19 0.22 -0.35 0.00 -0.42 0.00 0.00 29.97 30.61 1ioi h ARG 80 CO 0.91 1.23 -0.75 0.96 -1.51 0.00 0.00 179.97 180.82 1ioi s ILE 81 N -2.60 0.18 -0.09 1.20 -4.36 -1.26 -1.73 121.20 112.54 1ioi s ILE 81 Ca -0.12 0.12 -0.12 0.00 -0.26 0.00 0.00 60.65 60.27 1ioi s ILE 81 Cb 0.06 -0.29 -0.05 0.00 1.25 0.00 0.00 42.46 43.43 1ioi s ILE 81 CO 0.86 0.16 0.28 0.00 0.24 0.00 0.00 174.94 176.48 1ioi s ALA 82 N 1.25 3.73 0.09 2.27 0.00 0.48 -4.44 121.76 125.14 1ioi s ALA 82 Ca -0.07 -0.44 0.10 0.00 0.00 0.00 0.00 51.96 51.55 1ioi s ALA 82 Cb -0.13 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.71 1ioi s ALA 82 CO -0.02 0.41 -0.25 0.14 0.00 0.00 0.00 175.76 176.04 1ioi s VAL 83 N -0.60 2.07 -1.19 0.00 -7.23 -1.26 -1.19 120.40 111.01 1ioi s VAL 83 Ca 0.18 -1.57 -0.13 0.00 -1.81 0.00 0.00 61.98 58.66 1ioi s VAL 83 Cb -0.14 -1.82 -0.06 0.00 0.56 0.00 0.00 36.38 34.91 1ioi s VAL 83 CO 0.07 0.15 2.31 -3.20 -0.31 0.00 0.00 175.10 174.12 1ioi n ASN 84 N 1.27 5.07 -3.62 4.85 2.85 0.67 -4.82 115.26 121.53 1ioi n ASN 84 Ca -0.18 -2.59 -0.12 0.00 -0.11 0.00 0.00 54.58 51.58 1ioi n ASN 84 Cb 0.53 -1.35 -0.07 0.00 1.24 0.00 0.00 39.78 40.13 1ioi n ASN 84 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ioi s ALA 85 N 3.42 -1.87 -0.08 5.20 0.00 -1.26 -3.60 121.76 123.58 1ioi s ALA 85 Ca 0.53 1.90 0.01 0.00 0.00 0.00 0.00 51.96 54.40 1ioi s ALA 85 Cb 0.14 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 1ioi s ALA 85 CO -0.02 -0.30 -0.10 0.42 0.00 0.00 0.00 175.76 175.77 1ioi s ILE 86 N 0.15 3.43 -0.44 0.00 -1.09 0.61 -4.75 121.20 119.11 1ioi s ILE 86 Ca 0.01 -0.57 0.05 0.00 -2.23 0.00 0.00 60.65 57.91 1ioi s ILE 86 Cb -0.04 -2.40 0.18 0.00 -1.58 0.00 0.00 42.46 38.61 1ioi s ILE 86 CO -0.01 0.58 0.52 -0.62 -1.23 0.00 0.00 174.94 174.18 1ioi s ASP 87 N -0.53 -0.02 -0.11 3.58 3.68 -0.73 -1.83 116.67 120.70 1ioi s ASP 87 Ca 0.08 -2.00 -0.30 0.00 2.13 0.00 0.00 52.55 52.46 1ioi s ASP 87 Cb -0.12 0.92 -0.01 0.00 -1.45 0.00 0.00 42.92 42.26 1ioi s ASP 87 CO 0.02 -0.14 1.07 0.00 0.13 0.00 0.00 175.17 176.25 1ioi s ALA 88 N 0.85 3.48 -0.01 3.66 0.00 0.40 -4.63 121.76 125.51 1ioi s ALA 88 Ca 0.26 0.42 -0.22 0.00 0.00 0.00 0.00 51.96 52.42 1ioi s ALA 88 Cb -0.03 -3.48 -0.20 0.00 0.00 0.00 0.00 23.12 19.41 1ioi s ALA 88 CO -0.09 -0.73 1.17 -0.09 0.00 0.00 0.00 175.76 176.02 1ioi h ARG 89 N 7.29 0.28 -6.19 0.00 1.12 -1.90 -3.40 114.38 111.58 1ioi h ARG 89 Ca -0.30 -0.23 -0.50 0.00 -1.11 0.00 0.00 59.98 57.84 1ioi h ARG 89 Cb 1.14 0.05 -0.04 0.00 -0.01 0.00 0.00 29.97 31.10 1ioi h ARG 89 CO 0.88 0.88 -0.51 0.96 -3.11 0.00 0.00 179.97 179.07 1ioi s ILE 90 N -3.61 4.64 0.43 1.20 -0.00 -1.26 -5.06 121.20 117.53 1ioi s ILE 90 Ca -0.15 -1.29 -0.25 0.00 -0.00 0.00 0.00 60.65 58.96 1ioi s ILE 90 Cb 0.03 -3.50 -0.08 0.00 -0.00 0.00 0.00 42.46 38.91 1ioi s ILE 90 CO 0.76 -0.33 1.22 -2.16 -0.00 0.00 0.00 174.94 174.43 1ioi s PRO 91 N -3.83 3.88 1.20 0.37 0.04 -1.26 -4.69 135.00 130.70 1ioi s PRO 91 Ca 0.33 1.95 -0.15 0.00 0.04 0.00 0.00 61.00 63.18 1ioi s PRO 91 Cb -0.08 -2.60 0.29 0.00 0.04 0.00 0.00 34.50 32.15 1ioi s PRO 91 CO 0.26 -0.50 1.02 0.16 0.04 0.00 0.00 177.00 177.98 1ioi s ASP 92 N -1.05 0.78 0.00 6.66 3.84 -0.18 -4.81 116.67 121.91 1ioi s ASP 92 Ca 0.60 1.29 0.00 0.00 -0.00 0.00 0.00 52.55 54.44 1ioi s ASP 92 Cb -0.33 -1.98 0.00 0.00 -1.38 0.00 0.00 42.92 39.23 1ioi s ASP 92 CO 0.41 -4.29 0.63 0.59 -0.00 0.00 0.00 175.17 172.52 1ioi n ASN 93 N -4.96 0.00 -0.20 2.11 5.03 0.16 -1.17 115.26 116.24 1ioi n ASN 93 Ca 0.05 0.15 0.08 0.00 0.87 0.00 0.00 54.58 55.73 1ioi n ASN 93 Cb 0.56 -0.15 -0.05 0.00 -1.02 0.00 0.00 39.78 39.13 1ioi n ASN 93 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1ioi n GLU 94 N -1.13 1.59 0.00 3.52 1.02 -1.26 -4.98 120.64 119.40 1ioi n GLU 94 Ca 0.00 -0.43 0.00 0.00 -0.02 0.00 0.00 57.16 56.71 1ioi n GLU 94 Cb 0.01 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 1ioi n GLU 94 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ioi n GLY 95 N 1.30 0.71 3.51 0.62 0.00 -0.32 -5.08 105.19 105.93 1ioi n GLY 95 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1ioi n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ioi s LYS 96 N -0.59 3.27 -0.27 1.61 1.02 -1.25 -4.79 119.74 118.74 1ioi s LYS 96 Ca 0.00 -0.40 -0.13 0.00 0.02 0.00 0.00 55.97 55.46 1ioi s LYS 96 Cb 0.00 -3.96 -0.04 0.00 -0.52 0.00 0.00 37.83 33.31 1ioi s LYS 96 CO 0.00 -1.02 0.28 0.21 -0.92 0.00 0.00 175.35 173.90 1ioi s LYS 97 N 2.81 4.01 -0.25 1.68 2.20 -1.26 -1.01 119.74 127.92 1ioi s LYS 97 Ca 0.22 -0.13 -0.02 0.00 -0.36 0.00 0.00 55.97 55.68 1ioi s LYS 97 Cb -0.14 -3.64 0.02 0.00 -1.51 0.00 0.00 37.83 32.56 1ioi s LYS 97 CO 0.19 -0.18 -0.05 0.42 -0.36 0.00 0.00 175.35 175.36 1ioi s ILE 98 N 1.77 3.02 -0.17 5.43 1.01 -1.26 -4.95 121.20 126.06 1ioi s ILE 98 Ca 0.11 -0.90 -0.06 0.00 0.00 0.00 0.00 60.65 59.80 1ioi s ILE 98 Cb -0.16 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 1ioi s ILE 98 CO 0.10 0.24 0.01 -1.61 0.00 0.00 0.00 174.94 173.68 1ioi s GLU 99 N 1.36 3.83 -1.13 2.79 0.41 -1.26 -0.45 118.70 124.24 1ioi s GLU 99 Ca 0.02 -0.43 -0.23 0.00 -0.41 0.00 0.00 54.97 53.91 1ioi s GLU 99 Cb -0.16 -3.07 0.01 0.00 -1.78 0.00 0.00 34.13 29.13 1ioi s GLU 99 CO -0.04 0.26 0.76 -0.25 -0.49 0.00 0.00 175.26 175.49 1ioi n ASP 100 N 3.53 -5.07 -4.57 -0.19 8.00 -0.78 -4.93 116.55 112.53 1ioi n ASP 100 Ca -0.17 -1.07 -0.32 0.00 0.71 0.00 0.00 54.79 53.95 1ioi n ASP 100 Cb 0.52 -2.88 -0.11 0.00 -0.02 0.00 0.00 41.12 38.64 1ioi n ASP 100 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1ioi s GLU 101 N -6.25 2.42 0.53 -1.24 2.56 -0.76 -4.94 118.70 111.01 1ioi s GLU 101 Ca 0.45 -0.81 -0.17 0.00 0.00 0.00 0.00 54.97 54.44 1ioi s GLU 101 Cb -0.19 -2.43 -0.07 0.00 2.00 0.00 0.00 34.13 33.45 1ioi s GLU 101 CO 0.89 0.58 1.02 -1.25 -0.56 0.00 0.00 175.26 175.94 1ioi s PRO 102 N -1.55 3.73 -0.08 4.30 0.04 -1.26 -0.28 135.00 139.90 1ioi s PRO 102 Ca 0.18 1.14 -0.01 0.00 0.04 0.00 0.00 61.00 62.35 1ioi s PRO 102 Cb -0.11 -2.10 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 1ioi s PRO 102 CO 0.08 -0.46 -0.01 0.82 0.04 0.00 0.00 177.00 177.47 1ioi h ILE 103 N 0.98 0.00 -3.73 0.56 2.04 -1.88 -3.43 117.51 112.05 1ioi h ILE 103 Ca -0.48 -0.78 -0.68 0.00 1.00 0.00 0.00 64.86 63.93 1ioi h ILE 103 Cb 1.20 0.00 -0.36 0.00 -0.74 0.00 0.00 36.82 36.92 1ioi h ILE 103 CO 0.60 0.00 -0.71 -0.69 0.00 0.00 0.00 178.15 177.35 1ioi s VAL 104 N -1.47 2.63 -0.25 1.67 1.01 -1.26 -5.05 120.40 117.68 1ioi s VAL 104 Ca -0.01 -1.81 -0.37 0.00 0.00 0.00 0.00 61.98 59.79 1ioi s VAL 104 Cb 0.00 -2.68 -0.14 0.00 0.00 0.00 0.00 36.38 33.57 1ioi s VAL 104 CO 0.01 -0.31 1.90 -2.65 0.00 0.00 0.00 175.10 174.06 1ioi n PRO 105 N 4.47 1.38 0.00 2.72 -0.02 -1.26 -0.69 135.00 141.60 1ioi n PRO 105 Ca -0.07 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1ioi n PRO 105 Cb 0.42 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1ioi n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ioi n GLY 106 N 4.91 3.27 3.84 -1.23 0.00 -1.26 -5.03 105.19 109.69 1ioi n GLY 106 Ca 0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 1ioi n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ioi s ALA 107 N -2.16 2.86 0.51 4.61 0.00 0.13 -4.99 121.76 122.73 1ioi s ALA 107 Ca 0.00 0.02 -0.19 0.00 0.00 0.00 0.00 51.96 51.79 1ioi s ALA 107 Cb 0.00 -3.14 -0.12 0.00 0.00 0.00 0.00 23.12 19.87 1ioi s ALA 107 CO 0.00 -0.99 0.28 -2.30 0.00 0.00 0.00 175.76 172.75 1ioi n PRO 108 N -2.94 0.31 -0.09 0.00 -0.02 -1.26 -4.92 135.00 126.08 1ioi n PRO 108 Ca 0.07 0.12 -0.07 0.00 -2.02 0.00 0.00 63.50 61.60 1ioi n PRO 108 Cb 0.54 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 1ioi n PRO 108 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1ioi h THR 109 N 0.25 0.93 -3.67 3.45 2.02 -1.94 -3.39 112.91 110.55 1ioi h THR 109 Ca -0.43 -0.09 -0.08 0.00 0.77 0.00 0.00 66.41 66.58 1ioi h THR 109 Cb 1.42 0.65 -0.14 0.00 -1.74 0.00 0.00 68.15 68.34 1ioi h THR 109 CO 0.46 0.05 -0.32 0.00 0.37 0.00 0.00 175.52 176.08 1ioi s ALA 110 N -6.17 -0.39 -0.07 6.16 0.00 -1.26 -0.24 121.76 119.80 1ioi s ALA 110 Ca -0.13 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 51.41 1ioi s ALA 110 Cb 0.11 0.48 0.01 0.00 0.00 0.00 0.00 23.12 23.72 1ioi s ALA 110 CO 0.70 -0.50 -0.12 0.71 0.00 0.00 0.00 175.76 176.56 1ioi s TYR 111 N -3.59 1.46 0.36 0.00 1.51 -0.33 -5.03 117.35 111.74 1ioi s TYR 111 Ca 0.03 -0.57 -0.26 0.00 -1.01 0.00 0.00 57.07 55.25 1ioi s TYR 111 Cb 0.03 -1.10 -0.09 0.00 -0.11 0.00 0.00 41.96 40.70 1ioi s TYR 111 CO -0.10 -0.32 1.08 -0.06 -1.11 0.00 0.00 175.55 175.05 1ioi s PHE 112 N 0.82 3.35 0.32 2.71 2.99 -1.26 -0.39 117.98 126.52 1ioi s PHE 112 Ca -0.12 1.65 -0.29 0.00 0.00 0.00 0.00 56.93 58.18 1ioi s PHE 112 Cb -0.15 -3.21 -0.10 0.00 0.00 0.00 0.00 43.02 39.55 1ioi s PHE 112 CO 0.02 -0.68 1.32 0.45 -0.00 0.00 0.00 175.22 176.33 1ioi s SER 113 N -1.28 6.76 0.00 1.36 0.15 -0.71 -4.91 113.70 115.07 1ioi s SER 113 Ca 0.53 2.68 0.25 0.00 0.70 0.00 0.00 55.95 60.11 1ioi s SER 113 Cb -0.26 -2.65 0.44 0.00 -1.71 0.00 0.00 66.02 61.84 1ioi s SER 113 CO 0.33 -0.55 1.37 0.35 1.20 0.00 0.00 173.24 175.94 1ioi n THR 114 N 0.99 0.00 -1.91 6.45 -2.24 -0.32 -4.94 114.28 112.32 1ioi n THR 114 Ca 0.01 -0.01 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 1ioi n THR 114 Cb 0.42 0.34 0.02 0.00 -2.10 0.00 0.00 70.33 69.01 1ioi n THR 114 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1ioi s LEU 115 N -2.97 4.01 -0.96 3.22 1.43 -0.83 -4.63 118.68 117.94 1ioi s LEU 115 Ca 0.11 2.71 -0.21 0.00 -1.03 0.00 0.00 54.13 55.72 1ioi s LEU 115 Cb 0.17 -4.12 -0.11 0.00 0.03 0.00 0.00 46.19 42.17 1ioi s LEU 115 CO 0.71 -1.24 1.95 -0.81 0.23 0.00 0.00 176.35 177.19 1ioi n PRO 116 N -0.53 1.78 -0.06 1.29 -0.04 -1.26 -4.82 135.00 131.36 1ioi n PRO 116 Ca 0.07 -2.14 0.00 0.00 -0.04 0.00 0.00 63.50 61.40 1ioi n PRO 116 Cb 0.44 -3.15 0.29 0.00 -0.04 0.00 0.00 33.50 31.05 1ioi n PRO 116 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 1ioi h ILE 117 N 4.80 1.18 -0.05 0.52 3.07 -1.93 -0.91 117.51 124.19 1ioi h ILE 117 Ca 0.40 -0.60 -0.16 0.00 1.55 0.00 0.00 64.86 66.05 1ioi h ILE 117 Cb 0.73 0.67 -0.01 0.00 -0.27 0.00 0.00 36.82 37.94 1ioi h ILE 117 CO 1.79 0.23 -0.68 0.11 -1.05 0.00 0.00 178.15 178.54 1ioi h LYS 118 N 0.65 0.25 -0.11 0.16 1.79 -1.98 -1.17 116.57 116.16 1ioi h LYS 118 Ca 0.15 -0.19 -0.14 0.00 -2.18 0.00 0.00 60.65 58.29 1ioi h LYS 118 Cb 0.18 0.04 0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1ioi h LYS 118 CO -0.01 0.84 -0.47 0.87 -1.08 0.00 0.00 179.45 179.60 1ioi h LYS 119 N 0.17 0.51 -0.18 3.15 6.56 -1.82 0.58 116.57 125.54 1ioi h LYS 119 Ca -0.02 -0.40 0.02 0.00 -1.06 0.00 0.00 60.65 59.19 1ioi h LYS 119 Cb 1.23 0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 32.95 1ioi h LYS 119 CO 0.11 1.03 0.05 0.82 -2.06 0.00 0.00 179.45 179.39 1ioi h ILE 120 N 0.10 0.94 -0.65 1.86 2.04 -1.19 -0.78 117.51 119.83 1ioi h ILE 120 Ca -0.03 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 1ioi h ILE 120 Cb 1.11 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 1ioi h ILE 120 CO 0.10 0.02 0.20 -0.03 0.00 0.00 0.00 178.15 178.44 1ioi h MET 121 N 0.12 0.98 -0.13 2.37 4.05 -1.04 -0.57 114.93 120.72 1ioi h MET 121 Ca 0.08 -0.19 -0.12 0.00 -0.28 0.00 0.00 59.70 59.19 1ioi h MET 121 Cb 0.06 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 1ioi h MET 121 CO -0.09 0.84 -0.43 -0.22 0.23 0.00 0.00 176.91 177.24 1ioi h LYS 122 N 0.95 0.30 -0.05 0.39 3.64 -0.42 -2.29 116.57 119.09 1ioi h LYS 122 Ca 0.21 -0.15 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 1ioi h LYS 122 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1ioi h LYS 122 CO -0.01 0.68 -0.30 -0.22 -2.27 0.00 0.00 179.45 177.33 1ioi h LYS 123 N 0.24 0.29 -0.80 1.90 1.63 -0.75 -1.80 116.57 117.29 1ioi h LYS 123 Ca 0.02 -0.25 0.14 0.00 -0.85 0.00 0.00 60.65 59.72 1ioi h LYS 123 Cb 0.87 0.05 -0.09 0.00 -0.60 0.00 0.00 32.23 32.46 1ioi h LYS 123 CO 0.07 0.90 0.37 -0.07 -3.45 0.00 0.00 179.45 177.27 1ioi h LEU 124 N -0.23 0.41 -0.54 5.20 3.38 -1.02 -1.73 115.31 120.77 1ioi h LEU 124 Ca -0.02 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1ioi h LEU 124 Cb 0.96 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1ioi h LEU 124 CO 0.06 0.17 0.23 0.45 0.09 0.00 0.00 178.44 179.43 1ioi h HIS 125 N 0.53 0.82 0.00 1.13 3.86 -1.25 0.87 115.15 121.11 1ioi h HIS 125 Ca 0.44 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 1ioi h HIS 125 Cb 0.63 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.86 1ioi h HIS 125 CO -0.13 0.66 0.00 -0.85 0.86 0.00 0.00 177.93 178.47 1ioi n GLU 126 N -4.53 0.11 0.00 2.45 0.28 -0.69 -0.87 120.64 117.39 1ioi n GLU 126 Ca 0.03 0.05 0.14 0.00 -0.16 0.00 0.00 57.16 57.22 1ioi n GLU 126 Cb 0.15 -1.50 0.61 0.00 1.43 0.00 0.00 31.44 32.13 1ioi n GLU 126 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1ioi n ARG 127 N -1.44 0.86 -1.69 3.44 3.00 -0.70 -4.95 116.66 115.19 1ioi n ARG 127 Ca 0.08 -0.33 -0.11 0.00 -0.00 0.00 0.00 57.85 57.49 1ioi n ARG 127 Cb 0.27 -1.49 -0.03 0.00 0.00 0.00 0.00 32.46 31.21 1ioi n ARG 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ioi n GLY 128 N 1.24 0.70 3.55 5.14 0.00 -0.05 -5.02 105.19 110.75 1ioi n GLY 128 Ca 0.16 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 1ioi n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ioi s ILE 129 N -2.47 5.16 0.18 -0.61 1.01 0.25 -4.98 121.20 119.73 1ioi s ILE 129 Ca 0.00 0.11 -0.31 0.00 0.00 0.00 0.00 60.65 60.46 1ioi s ILE 129 Cb 0.00 -3.82 -0.09 0.00 0.01 0.00 0.00 42.46 38.55 1ioi s ILE 129 CO 0.00 -0.08 1.46 -2.16 0.00 0.00 0.00 174.94 174.16 1ioi s PRO 130 N 2.05 4.28 -0.08 2.79 0.04 -1.26 -3.32 135.00 139.50 1ioi s PRO 130 Ca 0.13 2.24 -0.21 0.00 0.04 0.00 0.00 61.00 63.19 1ioi s PRO 130 Cb -0.16 -3.17 0.05 0.00 0.04 0.00 0.00 34.50 31.25 1ioi s PRO 130 CO 0.12 -0.47 0.49 0.00 0.04 0.00 0.00 177.00 177.18 1ioi s ALA 131 N 0.68 -1.25 0.21 8.56 0.00 -1.26 -2.04 121.76 126.65 1ioi s ALA 131 Ca 0.64 0.97 -0.11 0.00 0.00 0.00 0.00 51.96 53.47 1ioi s ALA 131 Cb -0.41 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 1ioi s ALA 131 CO 0.35 -0.29 0.38 1.52 0.00 0.00 0.00 175.76 177.72 1ioi s TYR 132 N -0.83 0.40 -0.40 0.00 -0.85 0.38 -4.95 117.35 111.09 1ioi s TYR 132 Ca -0.09 -0.75 -0.26 0.00 -0.52 0.00 0.00 57.07 55.46 1ioi s TYR 132 Cb -0.03 0.05 0.02 0.00 0.38 0.00 0.00 41.96 42.38 1ioi s TYR 132 CO 0.05 -0.85 0.92 0.42 -1.52 0.00 0.00 175.55 174.57 1ioi s ILE 133 N -4.00 4.54 0.14 -3.49 1.09 -1.26 -0.03 121.20 118.21 1ioi s ILE 133 Ca 0.21 1.02 -0.23 0.00 -1.10 0.00 0.00 60.65 60.55 1ioi s ILE 133 Cb 0.01 -4.37 -0.08 0.00 -1.06 0.00 0.00 42.46 36.97 1ioi s ILE 133 CO 0.05 -0.65 0.70 -0.55 -0.10 0.00 0.00 174.94 174.40 1ioi s SER 134 N 2.03 7.25 0.00 3.58 0.15 0.11 -4.88 113.70 121.93 1ioi s SER 134 Ca 0.38 1.50 0.19 0.00 0.70 0.00 0.00 55.95 58.72 1ioi s SER 134 Cb -0.11 -2.45 0.35 0.00 -1.71 0.00 0.00 66.02 62.10 1ioi s SER 134 CO 0.22 0.21 1.29 0.59 1.20 0.00 0.00 173.24 176.74 1ioi n ASN 135 N 1.52 3.13 -3.75 5.45 5.03 -1.26 -0.97 115.26 124.41 1ioi n ASN 135 Ca -0.07 -1.91 -0.12 0.00 0.87 0.00 0.00 54.58 53.35 1ioi n ASN 135 Cb 0.50 -0.20 -0.12 0.00 -1.02 0.00 0.00 39.78 38.93 1ioi n ASN 135 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1ioi s SER 136 N -1.32 -0.28 -0.16 6.41 0.15 -1.26 -4.70 113.70 112.54 1ioi s SER 136 Ca 0.32 0.54 0.16 0.00 0.70 0.00 0.00 55.95 57.67 1ioi s SER 136 Cb 0.19 0.48 0.61 0.00 -1.71 0.00 0.00 66.02 65.59 1ioi s SER 136 CO 0.26 -0.14 1.52 0.00 1.20 0.00 0.00 173.24 176.09 1ioi n ALA 137 N 3.70 3.12 -0.37 5.45 0.00 -1.26 -5.05 120.51 126.10 1ioi n ALA 137 Ca -0.20 -1.93 0.00 0.00 0.00 0.00 0.00 53.44 51.31 1ioi n ALA 137 Cb 0.55 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1ioi n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ioi n GLY 138 N 0.22 -0.65 1.94 0.00 0.00 -1.26 -3.51 105.19 101.93 1ioi n GLY 138 Ca 0.23 -1.14 0.01 0.00 0.00 0.00 0.00 46.02 45.12 1ioi n GLY 138 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ioi n LEU 139 N 0.00 0.75 0.00 0.99 4.77 -1.26 -4.65 117.00 117.60 1ioi n LEU 139 Ca 0.00 -2.41 0.00 0.00 -0.03 0.00 0.00 56.01 53.57 1ioi n LEU 139 Cb 0.00 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1ioi n LEU 139 CO 0.00 0.88 0.00 0.00 -1.33 0.00 0.00 177.39 176.94 1ioi n TYR 140 N -0.06 0.00 0.01 -1.77 9.36 -1.26 -1.77 117.16 121.67 1ioi n TYR 140 Ca 0.00 0.00 0.19 0.00 3.32 0.00 0.00 57.90 61.41 1ioi n TYR 140 Cb 0.97 0.00 0.67 0.00 -0.63 0.00 0.00 39.34 40.34 1ioi n TYR 140 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1ioi h LEU 141 N 0.00 0.04 -0.02 2.98 3.38 -1.96 -1.83 115.31 117.90 1ioi h LEU 141 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ioi h LEU 141 Cb 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1ioi h LEU 141 CO 0.00 0.02 -0.00 0.28 0.09 0.00 0.00 178.44 178.83 1ioi h SER 142 N 0.04 0.04 -0.60 -0.43 0.02 -1.96 -1.79 113.55 108.88 1ioi h SER 142 Ca 0.24 -0.32 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 1ioi h SER 142 Cb 0.91 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.41 1ioi h SER 142 CO -0.01 0.35 0.12 -1.13 -1.14 0.00 0.00 176.83 175.02 1ioi h ASN 143 N -0.27 0.95 0.12 3.07 -1.24 -1.56 0.88 115.58 117.53 1ioi h ASN 143 Ca 0.01 -0.21 0.02 0.00 0.71 0.00 0.00 56.30 56.83 1ioi h ASN 143 Cb 0.33 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.10 1ioi h ASN 143 CO 0.00 0.94 -0.24 0.22 -1.29 0.00 0.00 177.43 177.07 1ioi h TYR 144 N 0.95 -0.63 0.01 0.67 3.20 -1.31 0.13 116.97 119.99 1ioi h TYR 144 Ca 0.20 0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.88 1ioi h TYR 144 Cb 0.39 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 1ioi h TYR 144 CO 0.03 -0.34 -0.89 -0.39 -1.64 0.00 0.00 178.16 174.93 1ioi h VAL 145 N -0.44 1.55 -0.21 1.81 -1.51 -1.28 -1.31 116.25 114.86 1ioi h VAL 145 Ca 0.03 -2.79 -0.01 0.00 -1.23 0.00 0.00 66.70 62.69 1ioi h VAL 145 Cb 0.46 2.55 -0.01 0.00 -2.13 0.00 0.00 31.29 32.16 1ioi h VAL 145 CO -0.13 0.81 0.07 -0.03 -1.23 0.00 0.00 177.57 177.06 1ioi h MET 146 N 0.05 0.29 0.01 5.19 1.85 -0.78 -2.78 114.93 118.78 1ioi h MET 146 Ca -0.03 -0.03 -0.10 0.00 -0.61 0.00 0.00 59.70 58.93 1ioi h MET 146 Cb 1.53 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 33.49 1ioi h MET 146 CO 0.13 0.26 -0.52 -0.92 -0.40 0.00 0.00 176.91 175.46 1ioi h TYR 147 N 0.30 0.06 -0.87 1.39 3.20 -0.56 -3.09 116.97 117.39 1ioi h TYR 147 Ca 0.08 -0.04 0.17 0.00 3.14 0.00 0.00 58.73 62.07 1ioi h TYR 147 Cb 0.09 -0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.29 1ioi h TYR 147 CO 0.00 1.20 0.57 -0.07 -1.64 0.00 0.00 178.16 178.22 1ioi h LEU 148 N -0.92 0.52 0.11 2.82 3.38 -1.21 -0.01 115.31 119.99 1ioi h LEU 148 Ca -0.13 0.04 -0.30 0.00 0.09 0.00 0.00 57.88 57.58 1ioi h LEU 148 Cb 1.17 -0.06 0.03 0.00 0.09 0.00 0.00 40.66 41.89 1ioi h LEU 148 CO -0.05 0.24 -1.24 -1.28 0.09 0.00 0.00 178.44 176.20 1ioi h SER 149 N 0.53 0.87 0.61 -0.43 0.87 -1.66 -1.13 113.55 113.22 1ioi h SER 149 Ca 0.44 -0.80 -0.06 0.00 -1.23 0.00 0.00 61.79 60.14 1ioi h SER 149 Cb 0.91 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1ioi h SER 149 CO -0.18 1.61 -0.31 -0.07 -0.53 0.00 0.00 176.83 177.34 1ioi h LEU 150 N 0.28 0.00 -0.08 2.23 3.38 -1.27 -1.98 115.31 117.88 1ioi h LEU 150 Ca -0.19 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 1ioi h LEU 150 Cb 1.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1ioi h LEU 150 CO 0.24 0.31 -0.29 -0.74 0.09 0.00 0.00 178.44 178.05 1ioi h HIS 151 N 0.00 0.44 -0.80 1.13 2.76 -1.04 -2.06 115.15 115.58 1ioi h HIS 151 Ca -0.00 -0.18 -0.04 0.00 -2.20 0.00 0.00 60.37 57.94 1ioi h HIS 151 Cb 0.70 -0.07 -0.04 0.00 1.55 0.00 0.00 27.41 29.55 1ioi h HIS 151 CO 0.00 0.90 0.33 1.25 -1.30 0.00 0.00 177.93 179.11 1ioi h HIS 152 N -0.15 1.21 -0.48 5.26 -0.00 -1.17 -0.76 115.15 119.06 1ioi h HIS 152 Ca -0.01 -0.08 0.04 0.00 -0.00 0.00 0.00 60.37 60.32 1ioi h HIS 152 Cb 0.92 -0.36 -0.04 0.00 -0.00 0.00 0.00 27.41 27.92 1ioi h HIS 152 CO 0.12 0.90 0.23 1.03 -0.00 0.00 0.00 177.93 180.22 1ioi h SER 153 N 1.16 0.33 0.02 3.26 0.87 -1.33 0.52 113.55 118.38 1ioi h SER 153 Ca 0.27 0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.76 1ioi h SER 153 Cb 0.20 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1ioi h SER 153 CO -0.02 0.23 -0.29 0.00 -0.53 0.00 0.00 176.83 176.22 1ioi h ALA 154 N 1.27 1.13 0.08 6.23 0.00 -0.94 -1.75 119.26 125.27 1ioi h ALA 154 Ca 0.21 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 1ioi h ALA 154 Cb 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ioi h ALA 154 CO -0.16 0.55 -0.73 1.15 0.00 0.00 0.00 179.25 180.07 1ioi h THR 155 N 0.36 1.44 -0.06 0.00 2.02 -0.99 -3.42 112.91 112.26 1ioi h THR 155 Ca 0.05 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 64.81 1ioi h THR 155 Cb 0.69 3.06 0.00 0.00 -1.74 0.00 0.00 68.15 70.16 1ioi h THR 155 CO 0.05 0.64 0.00 0.29 0.37 0.00 0.00 175.52 176.87 1ioi n LYS 156 N -4.27 0.94 0.00 6.66 5.02 0.16 -5.01 118.16 121.66 1ioi n LYS 156 Ca -0.17 -1.32 0.00 0.00 -2.02 0.00 0.00 58.31 54.80 1ioi n LYS 156 Cb 0.72 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.49 1ioi n LYS 156 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ioi n GLY 157 N 0.66 2.99 3.09 0.72 0.00 -0.66 -4.99 105.19 107.00 1ioi n GLY 157 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 1ioi n GLY 157 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ioi s TYR 158 N -1.61 0.73 0.98 1.61 -0.85 -1.25 -4.40 117.35 112.57 1ioi s TYR 158 Ca 0.00 -0.60 -0.12 0.00 -0.52 0.00 0.00 57.07 55.83 1ioi s TYR 158 Cb 0.00 -0.43 0.12 0.00 0.38 0.00 0.00 41.96 42.03 1ioi s TYR 158 CO 0.00 -0.10 0.78 -0.35 -1.52 0.00 0.00 175.55 174.36 1ioi n PRO 159 N 1.10 -0.73 0.08 -3.49 -0.04 -1.25 -3.25 135.00 127.42 1ioi n PRO 159 Ca -0.20 -0.16 -0.20 0.00 -0.04 0.00 0.00 63.50 62.90 1ioi n PRO 159 Cb 0.56 -2.11 -0.15 0.00 -0.04 0.00 0.00 33.50 31.76 1ioi n PRO 159 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1ioi h LYS 160 N -1.89 0.33 -6.08 0.54 6.56 -1.17 -3.42 116.57 111.44 1ioi h LYS 160 Ca -0.46 -0.56 -0.66 0.00 -1.06 0.00 0.00 60.65 57.90 1ioi h LYS 160 Cb 1.29 0.21 -0.31 0.00 -0.57 0.00 0.00 32.23 32.85 1ioi h LYS 160 CO 0.39 1.22 -0.88 -1.64 -2.06 0.00 0.00 179.45 176.49 1ioi s MET 161 N -2.60 2.22 -0.02 3.15 -1.94 -0.94 -4.95 119.30 114.21 1ioi s MET 161 Ca -0.11 -0.85 -0.11 0.00 -1.71 0.00 0.00 55.69 52.91 1ioi s MET 161 Cb 0.06 -1.98 0.01 0.00 2.01 0.00 0.00 34.83 34.94 1ioi s MET 161 CO 0.87 0.42 0.23 0.45 -0.01 0.00 0.00 175.02 176.97 1ioi s SER 162 N -0.30 -0.11 0.00 3.03 0.15 -1.25 -0.76 113.70 114.46 1ioi s SER 162 Ca 0.02 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1ioi s SER 162 Cb -0.12 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1ioi s SER 162 CO 0.02 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1ioi n GLY 163 N 1.60 -0.69 3.19 9.45 0.00 -1.10 -1.17 105.19 116.46 1ioi n GLY 163 Ca -0.21 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.55 1ioi n GLY 163 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ioi s PHE 164 N -2.00 1.83 -0.13 1.61 2.19 -1.26 -1.01 117.98 119.21 1ioi s PHE 164 Ca 0.00 -0.44 0.02 0.00 0.33 0.00 0.00 56.93 56.84 1ioi s PHE 164 Cb 0.00 -1.20 0.01 0.00 -1.31 0.00 0.00 43.02 40.52 1ioi s PHE 164 CO 0.00 -0.10 -0.20 0.42 1.83 0.00 0.00 175.22 177.16 1ioi s ILE 165 N -0.24 1.91 -0.23 3.12 1.09 0.34 -2.04 121.20 125.16 1ioi s ILE 165 Ca 0.02 -0.89 -0.11 0.00 -1.10 0.00 0.00 60.65 58.57 1ioi s ILE 165 Cb -0.10 -1.71 -0.05 0.00 -1.06 0.00 0.00 42.46 39.55 1ioi s ILE 165 CO 0.01 0.52 0.16 -1.00 -0.10 0.00 0.00 174.94 174.53 1ioi s HIS 166 N 0.88 3.34 0.04 3.97 3.76 0.13 -0.58 115.29 126.82 1ioi s HIS 166 Ca -0.06 0.26 0.03 0.00 -0.15 0.00 0.00 55.06 55.14 1ioi s HIS 166 Cb -0.15 -2.26 -0.04 0.00 1.11 0.00 0.00 32.58 31.24 1ioi s HIS 166 CO -0.02 0.11 -0.01 0.14 -0.85 0.00 0.00 174.74 174.10 1ioi s VAL 167 N 0.93 3.98 1.32 -0.90 -7.23 0.51 -1.14 120.40 117.87 1ioi s VAL 167 Ca 0.08 -0.83 -0.20 0.00 -1.81 0.00 0.00 61.98 59.22 1ioi s VAL 167 Cb -0.13 -2.82 0.33 0.00 0.56 0.00 0.00 36.38 34.32 1ioi s VAL 167 CO 0.03 0.25 0.99 -2.84 -0.31 0.00 0.00 175.10 173.22 1ioi s PRO 168 N -1.89 -2.12 0.70 4.82 0.02 -1.26 -0.84 135.00 134.42 1ioi s PRO 168 Ca 0.22 0.26 -0.16 0.00 0.02 0.00 0.00 61.00 61.34 1ioi s PRO 168 Cb -0.11 -1.46 0.02 0.00 0.02 0.00 0.00 34.50 32.97 1ioi s PRO 168 CO 0.14 -4.38 1.21 0.71 -0.33 0.00 0.00 177.00 174.35 1ioi s TYR 169 N -2.46 2.12 0.19 6.54 2.02 -1.19 -4.73 117.35 119.84 1ioi s TYR 169 Ca 0.69 1.57 -0.04 0.00 -0.37 0.00 0.00 57.07 58.92 1ioi s TYR 169 Cb -0.15 -3.49 -0.05 0.00 -0.40 0.00 0.00 41.96 37.87 1ioi s TYR 169 CO 0.59 -2.55 0.44 0.96 -1.57 0.00 0.00 175.55 173.41 1ioi s ILE 170 N -1.88 5.12 0.30 2.71 -4.36 -1.25 -0.28 121.20 121.56 1ioi s ILE 170 Ca 0.75 0.01 0.05 0.00 -0.26 0.00 0.00 60.65 61.20 1ioi s ILE 170 Cb -0.30 -3.67 0.29 0.00 1.25 0.00 0.00 42.46 40.04 1ioi s ILE 170 CO 0.43 -0.09 1.70 -0.65 0.24 0.00 0.00 174.94 176.57 1ioi h PRO 171 N 2.39 0.42 0.00 0.37 0.11 -1.93 0.65 132.00 134.00 1ioi h PRO 171 Ca -0.47 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ioi h PRO 171 Cb 1.18 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ioi h PRO 171 CO 0.70 0.28 -0.01 1.05 -0.21 0.00 0.00 178.00 179.81 1ioi h GLU 172 N 0.43 0.00 0.00 1.05 9.09 -1.95 -1.62 114.58 121.58 1ioi h GLU 172 Ca 0.58 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.99 1ioi h GLU 172 Cb 1.12 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.22 1ioi h GLU 172 CO -0.52 0.01 -0.70 1.96 0.05 0.00 0.00 179.01 179.80 1ioi h GLN 173 N 0.00 0.00 -0.02 1.06 4.20 -1.26 -3.35 115.11 115.75 1ioi h GLN 173 Ca -0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 1ioi h GLN 173 Cb 0.03 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1ioi h GLN 173 CO 0.00 0.00 -0.69 0.82 -0.67 0.00 0.00 178.83 178.29 1ioi h ILE 174 N 0.00 1.46 0.00 2.54 5.03 -1.31 -3.32 117.51 121.92 1ioi h ILE 174 Ca 0.00 -2.28 0.00 0.00 -0.12 0.00 0.00 64.86 62.46 1ioi h ILE 174 Cb 0.98 2.22 0.00 0.00 -3.03 0.00 0.00 36.82 36.99 1ioi h ILE 174 CO 0.00 0.66 0.00 0.16 -0.68 0.00 0.00 178.15 178.29 1ioi h ILE 175 N 0.06 0.00 -0.00 -0.67 3.07 -1.68 -0.31 117.51 117.99 1ioi h ILE 175 Ca -0.01 -0.39 0.00 0.00 1.55 0.00 0.00 64.86 66.00 1ioi h ILE 175 Cb 1.22 1.39 0.00 0.00 -0.27 0.00 0.00 36.82 39.16 1ioi h ILE 175 CO 0.10 0.00 -0.45 -0.90 -1.05 0.00 0.00 178.15 175.84 1ioi n ASP 176 N -3.07 0.86 0.02 2.16 5.68 -1.25 -3.83 116.55 117.12 1ioi n ASP 176 Ca -0.00 -0.66 -0.17 0.00 -0.50 0.00 0.00 54.79 53.46 1ioi n ASP 176 Cb 0.25 0.30 -0.07 0.00 -1.14 0.00 0.00 41.12 40.46 1ioi n ASP 176 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1ioi h LYS 177 N 0.63 0.67 -0.98 0.11 1.79 -1.22 -3.11 116.57 114.46 1ioi h LYS 177 Ca 0.00 -0.64 0.30 0.00 -2.18 0.00 0.00 60.65 58.13 1ioi h LYS 177 Cb 0.52 0.16 -0.15 0.00 -1.58 0.00 0.00 32.23 31.18 1ioi h LYS 177 CO 0.00 1.24 0.49 0.82 -1.08 0.00 0.00 179.45 180.92 1ioi h ILE 178 N 0.42 0.29 -0.59 1.86 2.04 0.14 0.20 117.51 121.87 1ioi h ILE 178 Ca -0.09 -0.10 0.07 0.00 1.00 0.00 0.00 64.86 65.74 1ioi h ILE 178 Cb 1.55 -0.02 -0.06 0.00 -0.74 0.00 0.00 36.82 37.55 1ioi h ILE 178 CO 0.18 0.05 0.28 1.23 0.00 0.00 0.00 178.15 179.89 1ioi h GLY 179 N 0.29 0.84 -3.93 5.37 0.00 -1.67 -2.30 103.07 101.68 1ioi h GLY 179 Ca 0.70 -0.18 -0.62 0.00 0.00 0.00 0.00 47.33 47.22 1ioi h GLY 179 CO -0.63 0.08 0.80 0.58 0.00 0.00 0.00 176.54 177.38 1ioi n LYS 180 N -4.90 2.54 -1.61 4.80 2.85 0.23 -4.87 118.16 117.20 1ioi n LYS 180 Ca 0.07 -3.05 -0.11 0.00 -1.05 0.00 0.00 58.31 54.18 1ioi n LYS 180 Cb 0.20 -2.19 -0.03 0.00 -0.65 0.00 0.00 35.03 32.35 1ioi n LYS 180 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ioi n GLY 181 N -0.78 0.78 2.99 2.58 0.00 -0.86 -5.03 105.19 104.88 1ioi n GLY 181 Ca 0.58 -0.50 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 1ioi n GLY 181 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ioi s GLN 182 N -3.45 0.92 -0.41 1.61 -0.44 0.44 -4.93 119.66 113.40 1ioi s GLN 182 Ca 0.00 -0.28 0.02 0.00 -2.50 0.00 0.00 55.36 52.59 1ioi s GLN 182 Cb 0.00 -0.87 0.13 0.00 -1.64 0.00 0.00 33.01 30.63 1ioi s GLN 182 CO 0.00 0.10 0.20 0.54 0.50 0.00 0.00 175.29 176.63 1ioi s VAL 183 N 0.22 1.41 0.70 1.34 0.11 -1.26 0.24 120.40 123.16 1ioi s VAL 183 Ca -0.03 -2.36 -0.14 0.00 -2.93 0.00 0.00 61.98 56.52 1ioi s VAL 183 Cb -0.09 -2.00 0.02 0.00 -1.53 0.00 0.00 36.38 32.78 1ioi s VAL 183 CO 0.00 -0.83 1.11 -2.84 -3.33 0.00 0.00 175.10 169.21 1ioi s PRO 184 N 0.60 2.60 0.35 1.54 0.02 -1.26 -5.02 135.00 133.83 1ioi s PRO 184 Ca 0.16 1.35 -0.28 0.00 0.02 0.00 0.00 61.00 62.24 1ioi s PRO 184 Cb -0.23 -1.93 -0.11 0.00 0.02 0.00 0.00 34.50 32.25 1ioi s PRO 184 CO -0.05 -1.40 1.46 -2.14 -0.33 0.00 0.00 177.00 174.54 1ioi s PRO 185 N -4.32 4.17 0.21 5.54 0.02 -1.26 -4.96 135.00 134.40 1ioi s PRO 185 Ca 0.66 2.49 0.08 0.00 0.02 0.00 0.00 61.00 64.24 1ioi s PRO 185 Cb -0.20 -3.00 -0.05 0.00 0.02 0.00 0.00 34.50 31.27 1ioi s PRO 185 CO 0.46 -0.47 -0.14 -1.54 -0.33 0.00 0.00 177.00 174.98 1ioi s SER 186 N -0.13 2.59 -0.10 2.53 1.04 -1.26 -3.20 113.70 115.18 1ioi s SER 186 Ca 0.53 -1.04 -0.07 0.00 0.48 0.00 0.00 55.95 55.85 1ioi s SER 186 Cb -0.45 -0.14 0.03 0.00 0.10 0.00 0.00 66.02 65.56 1ioi s SER 186 CO 0.59 -0.18 0.24 -0.32 0.98 0.00 0.00 173.24 174.55 1ioi s MET 187 N -3.65 0.25 0.36 4.02 1.75 0.62 -4.91 119.30 117.74 1ioi s MET 187 Ca 0.23 0.41 -0.28 0.00 -1.25 0.00 0.00 55.69 54.80 1ioi s MET 187 Cb -0.00 0.04 -0.10 0.00 2.84 0.00 0.00 34.83 37.61 1ioi s MET 187 CO 0.07 -0.08 1.29 -1.54 -0.65 0.00 0.00 175.02 174.12 1ioi s SER 188 N 0.53 6.63 0.28 1.11 1.04 -1.26 -3.91 113.70 118.12 1ioi s SER 188 Ca -0.03 2.65 0.02 0.00 0.48 0.00 0.00 55.95 59.07 1ioi s SER 188 Cb -0.05 -2.64 0.67 0.00 0.10 0.00 0.00 66.02 64.10 1ioi s SER 188 CO -0.03 -0.63 1.71 0.22 0.98 0.00 0.00 173.24 175.49 1ioi h TYR 189 N 3.13 0.64 -0.56 5.02 3.20 -1.98 0.52 116.97 126.94 1ioi h TYR 189 Ca -0.49 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.40 1ioi h TYR 189 Cb 1.23 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.33 1ioi h TYR 189 CO 0.55 -0.01 0.28 0.93 -1.64 0.00 0.00 178.16 178.27 1ioi h GLU 190 N 0.43 0.78 -0.05 1.82 3.07 -1.99 -0.68 114.58 117.96 1ioi h GLU 190 Ca 0.53 -0.09 -0.17 0.00 -0.50 0.00 0.00 59.36 59.13 1ioi h GLU 190 Cb 0.96 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.71 1ioi h GLU 190 CO -0.50 0.60 -0.70 1.98 -1.40 0.00 0.00 179.01 178.99 1ioi h MET 191 N 0.79 0.25 0.30 2.33 4.05 -1.27 -2.58 114.93 118.80 1ioi h MET 191 Ca 0.20 -0.20 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 1ioi h MET 191 Cb 0.07 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 1ioi h MET 191 CO -0.03 0.85 -0.15 0.93 0.23 0.00 0.00 176.91 178.75 1ioi h GLU 192 N 0.17 -0.39 -0.68 0.39 5.08 -1.15 -0.76 114.58 117.23 1ioi h GLU 192 Ca -0.02 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 1ioi h GLU 192 Cb 1.25 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 30.50 1ioi h GLU 192 CO 0.11 -0.06 0.23 1.25 -1.00 0.00 0.00 179.01 179.54 1ioi h LEU 193 N -0.90 0.17 -1.06 1.33 5.85 -1.22 -1.22 115.31 118.27 1ioi h LEU 193 Ca -0.04 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1ioi h LEU 193 Cb 0.52 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1ioi h LEU 193 CO 0.07 0.08 0.04 -0.08 -0.34 0.00 0.00 178.44 178.20 1ioi h GLU 194 N 0.37 0.71 -0.39 1.25 4.57 -1.45 -1.73 114.58 117.90 1ioi h GLU 194 Ca 0.37 -0.16 -0.03 0.00 -1.18 0.00 0.00 59.36 58.35 1ioi h GLU 194 Cb 0.54 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 1ioi h GLU 194 CO -0.39 0.69 0.12 0.00 -1.18 0.00 0.00 179.01 178.25 1ioi h ALA 195 N 1.37 0.52 0.00 2.92 0.00 -0.23 0.15 119.26 123.98 1ioi h ALA 195 Ca 0.14 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1ioi h ALA 195 Cb 0.36 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1ioi h ALA 195 CO 0.01 0.17 -0.58 -0.24 0.00 0.00 0.00 179.25 178.60 1ioi h VAL 196 N 0.49 1.36 -0.18 0.00 3.04 -1.08 -1.86 116.25 118.02 1ioi h VAL 196 Ca 0.13 -2.03 -0.17 0.00 -1.01 0.00 0.00 66.70 63.62 1ioi h VAL 196 Cb 0.27 2.11 -0.00 0.00 -2.01 0.00 0.00 31.29 31.65 1ioi h VAL 196 CO -0.00 0.57 -0.58 0.11 -1.01 0.00 0.00 177.57 176.66 1ioi h LYS 197 N 0.00 0.57 0.00 4.17 1.57 -1.08 -2.18 116.57 119.61 1ioi h LYS 197 Ca -0.01 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.39 1ioi h LYS 197 Cb 1.06 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 1ioi h LYS 197 CO 0.08 0.98 -0.07 0.28 -0.57 0.00 0.00 179.45 180.15 1ioi h VAL 198 N 0.43 0.81 0.11 0.50 2.07 -0.47 -2.51 116.25 117.19 1ioi h VAL 198 Ca 0.00 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1ioi h VAL 198 Cb 1.13 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1ioi h VAL 198 CO 0.11 0.07 -0.05 0.00 0.02 0.00 0.00 177.57 177.72 1ioi h ALA 199 N 1.93 -0.14 -0.72 1.67 0.00 -0.97 -2.10 119.26 118.94 1ioi h ALA 199 Ca -0.00 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 54.84 1ioi h ALA 199 Cb 0.15 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.89 1ioi h ALA 199 CO 0.01 -0.35 0.21 0.82 0.00 0.00 0.00 179.25 179.94 1ioi h ILE 200 N -0.60 0.59 -0.55 0.00 2.04 -1.25 -1.42 117.51 116.32 1ioi h ILE 200 Ca -0.01 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.68 1ioi h ILE 200 Cb 0.48 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1ioi h ILE 200 CO 0.02 0.06 0.12 -0.33 0.00 0.00 0.00 178.15 178.03 1ioi h GLU 201 N 0.33 0.89 0.00 2.37 5.08 -1.40 -1.79 114.58 120.05 1ioi h GLU 201 Ca 0.40 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.44 1ioi h GLU 201 Cb 0.63 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1ioi h GLU 201 CO -0.45 0.84 -0.46 -0.39 -1.00 0.00 0.00 179.01 177.55 1ioi h VAL 202 N 0.78 0.83 -0.16 3.13 -1.51 -0.62 -2.72 116.25 115.98 1ioi h VAL 202 Ca 0.17 -2.03 0.03 0.00 -1.23 0.00 0.00 66.70 63.64 1ioi h VAL 202 Cb 0.36 2.31 -0.03 0.00 -2.13 0.00 0.00 31.29 31.79 1ioi h VAL 202 CO 0.00 0.45 -0.06 0.00 -1.23 0.00 0.00 177.57 176.74 1ioi h ALA 203 N 1.54 0.09 -0.35 5.19 0.00 -1.20 -2.77 119.26 121.76 1ioi h ALA 203 Ca -0.00 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1ioi h ALA 203 Cb 1.27 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1ioi h ALA 203 CO 0.06 -0.50 -0.16 -0.07 0.00 0.00 0.00 179.25 178.59 1ioi h LEU 204 N -0.03 0.62 -0.57 0.00 3.38 -1.25 0.36 115.31 117.83 1ioi h LEU 204 Ca 0.08 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1ioi h LEU 204 Cb 0.15 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1ioi h LEU 204 CO -0.18 0.79 0.00 -0.62 0.09 0.00 0.00 178.44 178.52 1ioi n GLU 205 N -4.16 0.14 -0.12 1.13 1.02 -1.03 -3.53 120.64 114.08 1ioi n GLU 205 Ca 0.01 0.40 -0.24 0.00 -0.02 0.00 0.00 57.16 57.30 1ioi n GLU 205 Cb 0.37 -1.78 -0.09 0.00 -0.02 0.00 0.00 31.44 29.92 1ioi n GLU 205 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ioi n GLU 206 N -2.05 0.57 -1.89 3.49 4.71 -0.95 -4.73 120.64 119.79 1ioi n GLU 206 Ca 0.02 0.33 -0.42 0.00 -0.01 0.00 0.00 57.16 57.09 1ioi n GLU 206 Cb 0.20 -1.55 -0.01 0.00 -1.01 0.00 0.00 31.44 29.07 1ioi n GLU 206 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1ioi n LEU 207 N -4.33 5.82 0.00 -4.62 -0.00 0.08 -5.11 117.00 108.83 1ioi n LEU 207 Ca -0.43 -3.88 0.00 0.00 -0.00 0.00 0.00 56.01 51.71 1ioi n LEU 207 Cb 0.77 -1.62 0.00 0.00 -0.00 0.00 0.00 43.42 42.57 1ioi n LEU 207 CO 0.09 0.52 0.00 0.18 -0.00 0.00 0.00 177.39 178.18