#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o5l s ASP 2 N 0.00 5.74 0.61 6.12 -1.08 -1.26 -4.97 116.67 121.84 1o5l s ASP 2 Ca 0.00 -1.94 0.40 0.00 -0.52 0.00 0.00 52.55 50.49 1o5l s ASP 2 Cb 0.00 -2.02 1.98 0.00 -1.46 0.00 0.00 42.92 41.42 1o5l s ASP 2 CO 0.00 -0.70 2.21 -0.07 0.52 0.00 0.00 175.17 177.13 1o5l h LEU 3 N 8.44 0.00 -2.12 -1.34 3.38 -2.02 -2.30 115.31 119.35 1o5l h LEU 3 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1o5l h LEU 3 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1o5l h LEU 3 CO 0.87 0.00 0.00 0.11 0.09 0.00 0.00 178.44 179.51 1o5l h LYS 4 N 0.00 0.00 0.00 1.13 1.57 -1.98 -1.42 116.57 115.87 1o5l h LYS 4 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1o5l h LYS 4 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1o5l h LYS 4 CO 0.00 0.00 -0.00 0.87 -0.57 0.00 0.00 179.45 179.75 1o5l h LYS 5 N 0.00 0.00 -0.06 3.15 1.57 -1.85 -2.20 116.57 117.18 1o5l h LYS 5 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1o5l h LYS 5 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1o5l h LYS 5 CO 0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 1o5l n LEU 6 N -3.09 0.68 -0.34 2.94 4.77 -0.53 -4.41 117.00 117.03 1o5l n LEU 6 Ca -0.02 -0.28 0.15 0.00 -0.03 0.00 0.00 56.01 55.83 1o5l n LEU 6 Cb 0.12 -0.04 0.35 0.00 -2.33 0.00 0.00 43.42 41.52 1o5l n LEU 6 CO 0.22 0.14 1.14 -0.07 -1.33 0.00 0.00 177.39 177.48 1o5l h LEU 7 N 0.92 0.62 -2.08 2.23 3.38 -1.58 -0.90 115.31 117.91 1o5l h LEU 7 Ca 0.00 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1o5l h LEU 7 Cb 0.20 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1o5l h LEU 7 CO 0.00 0.12 0.00 -0.65 0.09 0.00 0.00 178.44 178.00 1o5l h PRO 8 N 0.58 0.00 -0.00 1.13 0.11 -1.86 -3.11 132.00 128.84 1o5l h PRO 8 Ca 0.61 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.72 1o5l h PRO 8 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1o5l h PRO 8 CO -0.46 0.00 -0.16 0.00 -0.21 0.00 0.00 178.00 177.17 1o5l s GLY 10 N -2.55 0.66 0.33 0.00 0.00 -1.18 -4.58 107.32 100.01 1o5l s GLY 10 Ca 0.26 -0.94 -0.04 0.00 0.00 0.00 0.00 44.72 44.00 1o5l s GLY 10 CO 0.50 -0.57 0.59 -1.59 0.00 0.00 0.00 173.10 172.03 1o5l s LYS 11 N -3.32 3.58 -0.14 2.90 -2.85 -0.77 -4.85 119.74 114.30 1o5l s LYS 11 Ca 0.21 -0.05 -0.06 0.00 -1.00 0.00 0.00 55.97 55.07 1o5l s LYS 11 Cb -0.02 -2.61 -0.04 0.00 -2.06 0.00 0.00 37.83 33.10 1o5l s LYS 11 CO 0.12 0.14 0.07 0.08 0.10 0.00 0.00 175.35 175.86 1o5l s VAL 12 N -2.24 4.85 -0.03 1.79 1.01 -1.26 -1.02 120.40 123.50 1o5l s VAL 12 Ca 0.43 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.42 1o5l s VAL 12 Cb -0.10 -3.13 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 1o5l s VAL 12 CO 0.33 0.53 -0.13 -0.63 0.00 0.00 0.00 175.10 175.21 1o5l s ILE 13 N -0.26 1.09 0.09 2.22 1.01 -0.06 -4.98 121.20 120.31 1o5l s ILE 13 Ca 0.08 -0.54 0.07 0.00 0.00 0.00 0.00 60.65 60.27 1o5l s ILE 13 Cb -0.12 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 1o5l s ILE 13 CO 0.01 0.32 -0.13 0.68 0.00 0.00 0.00 174.94 175.82 1o5l s VAL 14 N 0.05 3.14 0.01 2.92 -7.23 -1.26 -0.14 120.40 117.89 1o5l s VAL 14 Ca -0.02 -1.28 0.02 0.00 -1.81 0.00 0.00 61.98 58.89 1o5l s VAL 14 Cb -0.09 -2.43 -0.01 0.00 0.56 0.00 0.00 36.38 34.41 1o5l s VAL 14 CO 0.01 0.17 -0.07 -0.36 -0.31 0.00 0.00 175.10 174.54 1o5l s PHE 15 N -1.13 0.58 0.62 2.82 0.40 -0.31 -5.00 117.98 115.96 1o5l s PHE 15 Ca 0.19 -0.22 -0.09 0.00 -0.60 0.00 0.00 56.93 56.21 1o5l s PHE 15 Cb -0.11 -0.36 -0.01 0.00 0.51 0.00 0.00 43.02 43.05 1o5l s PHE 15 CO 0.11 -0.03 0.98 1.03 0.70 0.00 0.00 175.22 178.01 1o5l s ARG 16 N -0.58 3.13 0.21 0.44 3.00 -1.26 -1.30 118.95 122.60 1o5l s ARG 16 Ca -0.01 0.34 -0.32 0.00 0.00 0.00 0.00 55.73 55.73 1o5l s ARG 16 Cb -0.05 -2.16 -0.13 0.00 0.00 0.00 0.00 34.95 32.61 1o5l s ARG 16 CO 0.00 -0.71 1.51 1.17 0.00 0.00 0.00 175.30 177.27 1o5l n LYS 17 N -2.71 2.20 -0.07 3.54 4.81 -1.26 -1.83 118.16 122.84 1o5l n LYS 17 Ca 0.05 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.28 1o5l n LYS 17 Cb 0.56 -2.51 0.00 0.00 0.02 0.00 0.00 35.03 33.10 1o5l n LYS 17 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1o5l n GLY 18 N 2.74 2.23 3.78 3.14 0.00 0.08 -4.98 105.19 112.17 1o5l n GLY 18 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1o5l n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o5l s GLU 19 N -0.22 4.00 -0.20 1.61 2.02 -0.76 -4.76 118.70 120.39 1o5l s GLU 19 Ca 0.00 1.50 -0.24 0.00 0.02 0.00 0.00 54.97 56.26 1o5l s GLU 19 Cb 0.00 -2.39 -0.01 0.00 0.10 0.00 0.00 34.13 31.82 1o5l s GLU 19 CO 0.00 -0.28 0.77 0.42 0.02 0.00 0.00 175.26 176.19 1o5l s ILE 20 N -1.74 4.91 -0.09 -1.63 1.01 -1.26 -0.74 121.20 121.67 1o5l s ILE 20 Ca 0.61 1.47 -0.26 0.00 0.00 0.00 0.00 60.65 62.47 1o5l s ILE 20 Cb -0.21 -4.07 -0.25 0.00 0.01 0.00 0.00 42.46 37.94 1o5l s ILE 20 CO 0.26 0.02 0.94 0.58 0.00 0.00 0.00 174.94 176.74 1o5l h VAL 21 N 5.27 1.63 -3.32 2.92 2.07 -0.64 -3.48 116.25 120.70 1o5l h VAL 21 Ca -0.28 -2.04 -0.13 0.00 0.82 0.00 0.00 66.70 65.07 1o5l h VAL 21 Cb 1.12 2.99 -0.20 0.00 -1.52 0.00 0.00 31.29 33.68 1o5l h VAL 21 CO 0.83 0.54 -0.38 -0.54 0.02 0.00 0.00 177.57 178.04 1o5l s LYS 22 N -2.85 0.60 0.22 1.57 -0.14 -1.06 -4.99 119.74 113.09 1o5l s LYS 22 Ca -0.17 -0.35 -0.07 0.00 -1.36 0.00 0.00 55.97 54.01 1o5l s LYS 22 Cb -0.01 0.26 -0.06 0.00 -1.68 0.00 0.00 37.83 36.34 1o5l s LYS 22 CO 0.71 -0.16 0.51 -1.01 -0.76 0.00 0.00 175.35 174.65 1o5l s HIS 23 N -1.57 3.45 0.19 3.18 3.76 -1.26 -0.74 115.29 122.30 1o5l s HIS 23 Ca -0.13 0.75 -0.32 0.00 -0.15 0.00 0.00 55.06 55.21 1o5l s HIS 23 Cb -0.06 -2.17 -0.15 0.00 1.11 0.00 0.00 32.58 31.32 1o5l s HIS 23 CO 0.02 0.29 1.20 0.94 -0.85 0.00 0.00 174.74 176.33 1o5l n GLN 24 N -0.26 1.34 -0.55 1.40 7.27 -1.23 -1.27 117.38 124.09 1o5l n GLN 24 Ca -0.01 0.48 0.00 0.00 0.07 0.00 0.00 57.00 57.54 1o5l n GLN 24 Cb 0.53 -2.00 0.00 0.00 2.41 0.00 0.00 30.24 31.18 1o5l n GLN 24 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1o5l n ASP 25 N 1.99 0.00 -4.78 1.69 8.00 0.45 -4.93 116.55 118.97 1o5l n ASP 25 Ca 0.14 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.23 1o5l n ASP 25 Cb 0.26 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.12 40.89 1o5l n ASP 25 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1o5l s ASP 26 N -3.08 6.45 0.43 -2.24 1.01 -0.39 -4.71 116.67 114.14 1o5l s ASP 26 Ca 0.00 2.96 -0.25 0.00 0.71 0.00 0.00 52.55 55.96 1o5l s ASP 26 Cb 0.00 -2.66 -0.08 0.00 1.01 0.00 0.00 42.92 41.19 1o5l s ASP 26 CO 0.00 -0.79 1.32 -2.84 0.21 0.00 0.00 175.17 173.07 1o5l s PRO 27 N -1.94 3.82 -0.47 8.23 0.02 -1.26 -1.31 135.00 142.09 1o5l s PRO 27 Ca 0.52 2.18 -0.21 0.00 0.02 0.00 0.00 61.00 63.52 1o5l s PRO 27 Cb -0.45 -2.67 0.04 0.00 0.02 0.00 0.00 34.50 31.44 1o5l s PRO 27 CO 0.60 -0.62 0.69 0.42 -0.33 0.00 0.00 177.00 177.75 1o5l s ILE 28 N -1.28 4.77 -0.18 2.83 1.01 -0.08 -4.77 121.20 123.51 1o5l s ILE 28 Ca 0.59 -0.03 -0.05 0.00 0.00 0.00 0.00 60.65 61.16 1o5l s ILE 28 Cb -0.39 -4.28 -0.09 0.00 0.01 0.00 0.00 42.46 37.71 1o5l s ILE 28 CO 0.49 -0.74 -0.21 -0.62 0.00 0.00 0.00 174.94 173.87 1o5l n GLU 29 N 6.42 0.41 -4.10 2.79 1.02 -1.26 -4.82 120.64 121.10 1o5l n GLU 29 Ca -0.02 0.15 -0.28 0.00 -0.02 0.00 0.00 57.16 56.98 1o5l n GLU 29 Cb 0.47 -1.22 -0.07 0.00 -0.02 0.00 0.00 31.44 30.60 1o5l n GLU 29 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1o5l s ASP 30 N -6.31 5.29 -0.07 1.62 1.01 -1.26 -3.47 116.67 113.48 1o5l s ASP 30 Ca -0.25 -0.14 -0.30 0.00 0.71 0.00 0.00 52.55 52.57 1o5l s ASP 30 Cb 0.09 -1.33 -0.02 0.00 1.01 0.00 0.00 42.92 42.66 1o5l s ASP 30 CO 0.35 0.13 1.13 -0.69 0.21 0.00 0.00 175.17 176.30 1o5l s VAL 31 N -1.53 4.45 -0.15 -1.27 1.01 -0.02 -4.88 120.40 118.00 1o5l s VAL 31 Ca 0.29 1.75 -0.05 0.00 0.00 0.00 0.00 61.98 63.96 1o5l s VAL 31 Cb -0.11 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 1o5l s VAL 31 CO 0.21 -0.00 0.02 -0.76 0.00 0.00 0.00 175.10 174.57 1o5l s LEU 32 N 2.14 3.58 -0.12 3.92 1.43 -1.26 -1.13 118.68 127.24 1o5l s LEU 32 Ca 0.53 0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 1o5l s LEU 32 Cb -0.22 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.14 1o5l s LEU 32 CO 0.20 0.21 -0.15 -0.63 0.23 0.00 0.00 176.35 176.22 1o5l s ILE 33 N 0.13 1.51 -0.25 -0.59 1.01 0.73 -0.94 121.20 122.79 1o5l s ILE 33 Ca 0.02 -0.64 -0.29 0.00 0.00 0.00 0.00 60.65 59.74 1o5l s ILE 33 Cb -0.13 -1.38 -0.00 0.00 0.01 0.00 0.00 42.46 40.96 1o5l s ILE 33 CO 0.02 0.44 1.24 -0.22 0.00 0.00 0.00 174.94 176.42 1o5l s LEU 34 N 1.08 4.00 -0.18 2.97 2.96 -0.22 -0.21 118.68 129.08 1o5l s LEU 34 Ca -0.05 1.36 -0.16 0.00 -0.22 0.00 0.00 54.13 55.06 1o5l s LEU 34 Cb -0.15 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 42.79 1o5l s LEU 34 CO -0.03 -0.92 0.24 0.18 -1.32 0.00 0.00 176.35 174.49 1o5l n LEU 35 N 7.10 2.15 -3.60 -0.68 4.77 -0.35 -3.03 117.00 123.36 1o5l n LEU 35 Ca 0.14 0.34 -0.15 0.00 -0.03 0.00 0.00 56.01 56.31 1o5l n LEU 35 Cb 0.46 -1.01 -0.06 0.00 -2.33 0.00 0.00 43.42 40.47 1o5l n LEU 35 CO 0.59 0.50 0.27 -1.83 -1.33 0.00 0.00 177.39 175.60 1o5l s GLU 36 N -2.44 0.96 0.00 3.23 -1.05 -1.12 -4.80 118.70 113.48 1o5l s GLU 36 Ca -0.27 -0.08 0.00 0.00 -0.15 0.00 0.00 54.97 54.47 1o5l s GLU 36 Cb 0.07 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 34.20 1o5l s GLU 36 CO 0.65 -0.32 0.00 0.41 0.95 0.00 0.00 175.26 176.95 1o5l n GLY 37 N 0.74 0.28 3.48 -3.83 0.00 -1.26 -1.34 105.19 103.26 1o5l n GLY 37 Ca -0.19 -1.80 -0.10 0.00 0.00 0.00 0.00 46.02 43.93 1o5l n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1o5l s THR 38 N 0.00 -0.01 0.19 2.61 2.01 -1.26 -4.29 115.64 114.89 1o5l s THR 38 Ca 0.00 0.03 0.08 0.00 0.31 0.00 0.00 61.69 62.11 1o5l s THR 38 Cb 0.00 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 1o5l s THR 38 CO 0.00 0.01 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.18 1o5l s LEU 39 N 1.22 3.29 -0.07 4.42 1.43 -0.65 -0.22 118.68 128.10 1o5l s LEU 39 Ca -0.07 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 52.63 1o5l s LEU 39 Cb -0.06 -1.91 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 1o5l s LEU 39 CO -0.12 0.07 -0.22 -0.54 0.23 0.00 0.00 176.35 175.76 1o5l s LYS 40 N -3.10 2.68 -0.17 1.70 1.02 0.17 -0.73 119.74 121.30 1o5l s LYS 40 Ca 0.28 -0.85 -0.06 0.00 0.02 0.00 0.00 55.97 55.35 1o5l s LYS 40 Cb -0.09 -2.25 -0.04 0.00 -0.52 0.00 0.00 37.83 34.93 1o5l s LYS 40 CO 0.19 0.38 0.04 0.95 -0.92 0.00 0.00 175.35 175.99 1o5l s THR 41 N -0.14 4.60 -0.03 2.17 -4.23 -0.53 -0.78 115.64 116.71 1o5l s THR 41 Ca -0.04 -0.10 -0.00 0.00 -1.18 0.00 0.00 61.69 60.37 1o5l s THR 41 Cb -0.14 -3.06 0.03 0.00 1.34 0.00 0.00 72.50 70.67 1o5l s THR 41 CO 0.04 0.48 0.03 -1.83 -0.54 0.00 0.00 174.62 172.80 1o5l s GLU 42 N 0.29 -0.02 0.02 3.99 -1.05 -0.66 0.30 118.70 121.56 1o5l s GLU 42 Ca 0.02 0.22 -0.25 0.00 -0.15 0.00 0.00 54.97 54.81 1o5l s GLU 42 Cb -0.13 -0.33 -0.05 0.00 -0.44 0.00 0.00 34.13 33.19 1o5l s GLU 42 CO 0.01 -0.20 0.79 -1.58 0.95 0.00 0.00 175.26 175.22 1o5l s HIS 43 N 1.33 3.70 -0.22 4.83 5.65 0.68 -1.48 115.29 129.77 1o5l s HIS 43 Ca -0.06 1.47 -0.10 0.00 0.25 0.00 0.00 55.06 56.62 1o5l s HIS 43 Cb -0.13 -2.86 -0.05 0.00 -1.18 0.00 0.00 32.58 28.36 1o5l s HIS 43 CO -0.03 0.20 0.14 0.08 -0.65 0.00 0.00 174.74 174.48 1o5l s VAL 44 N 0.26 5.33 0.44 0.89 1.01 -1.26 -1.04 120.40 126.02 1o5l s VAL 44 Ca 0.40 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.59 1o5l s VAL 44 Cb -0.20 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.73 1o5l s VAL 44 CO 0.23 0.39 0.62 -0.94 0.00 0.00 0.00 175.10 175.39 1o5l s SER 45 N 0.77 5.68 0.66 3.32 1.04 0.14 -4.97 113.70 120.35 1o5l s SER 45 Ca 0.07 -0.10 0.25 0.00 0.48 0.00 0.00 55.95 56.66 1o5l s SER 45 Cb -0.13 -1.06 1.37 0.00 0.10 0.00 0.00 66.02 66.30 1o5l s SER 45 CO 0.02 -0.76 1.77 -0.33 0.98 0.00 0.00 173.24 174.92 1o5l h GLU 46 N 0.51 0.00 -0.36 4.02 3.07 -1.98 0.14 114.58 119.97 1o5l h GLU 46 Ca -0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 1o5l h GLU 46 Cb 1.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1o5l h GLU 46 CO 0.52 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 178.22 1o5l n ASN 47 N -2.84 3.10 0.00 1.42 3.02 -1.26 -4.93 115.26 113.77 1o5l n ASN 47 Ca -0.01 -1.90 0.00 0.00 -0.03 0.00 0.00 54.58 52.63 1o5l n ASN 47 Cb 0.49 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 1o5l n ASN 47 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1o5l n GLY 48 N 1.05 1.98 3.69 7.41 0.00 0.47 -5.03 105.19 114.76 1o5l n GLY 48 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1o5l n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1o5l s LYS 49 N -0.45 4.28 -0.12 1.61 -2.85 -1.25 -4.68 119.74 116.29 1o5l s LYS 49 Ca 0.00 1.95 -0.06 0.00 -1.00 0.00 0.00 55.97 56.85 1o5l s LYS 49 Cb 0.00 -3.60 -0.04 0.00 -2.06 0.00 0.00 37.83 32.13 1o5l s LYS 49 CO 0.00 -0.59 0.13 0.99 0.10 0.00 0.00 175.35 175.98 1o5l s THR 50 N 2.52 5.39 -0.11 3.79 2.01 -1.26 -0.68 115.64 127.30 1o5l s THR 50 Ca 0.63 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.80 1o5l s THR 50 Cb -0.31 -3.34 0.02 0.00 0.01 0.00 0.00 72.50 68.88 1o5l s THR 50 CO 0.26 0.62 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.48 1o5l s LEU 51 N -1.02 1.41 0.28 4.42 2.96 -0.21 -4.98 118.68 121.54 1o5l s LEU 51 Ca 0.15 -0.35 -0.29 0.00 -0.22 0.00 0.00 54.13 53.42 1o5l s LEU 51 Cb -0.12 -0.92 -0.10 0.00 0.50 0.00 0.00 46.19 45.55 1o5l s LEU 51 CO 0.04 -0.07 1.20 -0.70 -1.32 0.00 0.00 176.35 175.50 1o5l s GLU 52 N 1.41 4.50 -0.13 1.98 2.12 -1.26 -0.23 118.70 127.09 1o5l s GLU 52 Ca 0.00 1.97 -0.05 0.00 0.36 0.00 0.00 54.97 57.26 1o5l s GLU 52 Cb -0.13 -3.16 -0.06 0.00 0.26 0.00 0.00 34.13 31.04 1o5l s GLU 52 CO -0.06 -0.00 -0.16 -0.89 -0.54 0.00 0.00 175.26 173.61 1o5l n ILE 53 N 1.35 0.74 -3.89 -3.70 2.08 0.15 -4.91 119.36 111.19 1o5l n ILE 53 Ca 0.01 -0.21 -0.09 0.00 0.56 0.00 0.00 62.75 63.02 1o5l n ILE 53 Cb 0.44 -1.53 -0.01 0.00 -0.75 0.00 0.00 39.64 37.78 1o5l n ILE 53 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1o5l s ASP 54 N -6.02 -0.02 0.16 4.38 -1.08 -1.17 -5.01 116.67 107.91 1o5l s ASP 54 Ca -0.19 -0.94 0.06 0.00 -0.52 0.00 0.00 52.55 50.97 1o5l s ASP 54 Cb 0.07 0.74 -0.04 0.00 -1.46 0.00 0.00 42.92 42.23 1o5l s ASP 54 CO 0.25 -1.43 0.04 -1.61 0.52 0.00 0.00 175.17 172.94 1o5l s GLU 55 N -3.29 2.58 -0.15 4.34 2.02 -1.26 -1.45 118.70 121.49 1o5l s GLU 55 Ca 0.16 -1.00 0.02 0.00 0.02 0.00 0.00 54.97 54.17 1o5l s GLU 55 Cb -0.04 -2.47 0.02 0.00 0.10 0.00 0.00 34.13 31.73 1o5l s GLU 55 CO 0.10 0.48 -0.19 0.42 0.02 0.00 0.00 175.26 176.08 1o5l s ILE 56 N -1.68 1.92 0.20 -1.63 1.01 0.09 -4.94 121.20 116.17 1o5l s ILE 56 Ca 0.28 -0.88 0.06 0.00 0.00 0.00 0.00 60.65 60.11 1o5l s ILE 56 Cb -0.10 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 1o5l s ILE 56 CO 0.20 0.52 0.18 -0.54 0.00 0.00 0.00 174.94 175.30 1o5l s LYS 57 N 1.07 2.96 0.58 2.79 -0.14 -1.26 -1.63 119.74 124.11 1o5l s LYS 57 Ca -0.02 -0.93 -0.16 0.00 -1.36 0.00 0.00 55.97 53.50 1o5l s LYS 57 Cb -0.14 -2.64 -0.05 0.00 -1.68 0.00 0.00 37.83 33.33 1o5l s LYS 57 CO -0.06 0.45 1.04 -1.25 -0.76 0.00 0.00 175.35 174.77 1o5l s PRO 58 N -3.46 3.46 -0.20 -1.68 0.05 -1.26 -4.20 135.00 127.70 1o5l s PRO 58 Ca 0.32 1.15 -0.03 0.00 0.05 0.00 0.00 61.00 62.49 1o5l s PRO 58 Cb -0.09 -2.06 -0.01 0.00 0.05 0.00 0.00 34.50 32.39 1o5l s PRO 58 CO 0.25 -0.69 -0.06 0.08 0.05 0.00 0.00 177.00 176.62 1o5l s VAL 59 N -2.49 3.32 -0.03 -0.36 1.01 -1.26 -5.07 120.40 115.53 1o5l s VAL 59 Ca 0.63 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 1o5l s VAL 59 Cb -0.15 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.76 1o5l s VAL 59 CO 0.36 0.45 0.23 -1.10 0.00 0.00 0.00 175.10 175.03 1o5l s GLN 60 N 1.24 0.50 0.18 2.72 -0.21 -1.17 -4.95 119.66 117.98 1o5l s GLN 60 Ca 0.03 -0.14 -0.30 0.00 0.02 0.00 0.00 55.36 54.97 1o5l s GLN 60 Cb -0.14 0.22 -0.08 0.00 1.00 0.00 0.00 33.01 34.01 1o5l s GLN 60 CO -0.02 -0.12 1.18 0.42 -2.12 0.00 0.00 175.29 174.64 1o5l s ILE 61 N -0.98 3.62 -0.15 1.08 1.01 -1.26 -1.05 121.20 123.48 1o5l s ILE 61 Ca -0.11 1.36 -0.22 0.00 0.00 0.00 0.00 60.65 61.68 1o5l s ILE 61 Cb -0.05 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 1o5l s ILE 61 CO 0.02 0.22 0.69 -0.63 0.00 0.00 0.00 174.94 175.24 1o5l s ILE 62 N -0.05 5.01 -1.30 2.92 1.01 -0.12 -4.38 121.20 124.28 1o5l s ILE 62 Ca 0.52 1.36 -0.04 0.00 0.00 0.00 0.00 60.65 62.49 1o5l s ILE 62 Cb -0.32 -4.01 0.01 0.00 0.01 0.00 0.00 42.46 38.15 1o5l s ILE 62 CO 0.36 0.15 0.98 0.00 0.00 0.00 0.00 174.94 176.43 1o5l n ALA 63 N 4.62 -1.75 -0.22 9.38 0.00 -1.26 -4.65 120.51 126.63 1o5l n ALA 63 Ca -0.00 0.06 -0.05 0.00 0.00 0.00 0.00 53.44 53.45 1o5l n ALA 63 Cb 0.50 -3.35 0.05 0.00 0.00 0.00 0.00 19.45 16.65 1o5l n ALA 63 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1o5l h SER 64 N -2.12 0.69 0.29 0.00 4.64 -1.96 -1.81 113.55 113.26 1o5l h SER 64 Ca -0.59 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 1o5l h SER 64 Cb 1.36 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1o5l h SER 64 CO 0.55 0.49 0.00 0.61 -0.87 0.00 0.00 176.83 177.61 1o5l n GLY 65 N -1.27 -0.78 0.00 -0.77 0.00 -1.26 -2.90 105.19 98.22 1o5l n GLY 65 Ca 0.05 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.12 1o5l n GLY 65 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1o5l n PHE 66 N -1.48 0.00 -0.12 1.61 3.72 -0.69 -4.64 117.46 115.86 1o5l n PHE 66 Ca 0.02 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.35 1o5l n PHE 66 Cb 0.10 -0.15 0.01 0.00 -0.94 0.00 0.00 39.48 38.50 1o5l n PHE 66 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1o5l h ILE 67 N 0.00 1.00 -0.57 4.37 2.04 -1.47 -3.09 117.51 119.79 1o5l h ILE 67 Ca 0.00 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1o5l h ILE 67 Cb 0.55 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1o5l h ILE 67 CO 0.00 0.08 0.00 0.49 0.00 0.00 0.00 178.15 178.72 1o5l n PHE 68 N -4.91 1.55 -1.19 1.37 3.72 -1.26 -4.75 117.46 112.00 1o5l n PHE 68 Ca 0.01 -0.67 -0.30 0.00 -0.05 0.00 0.00 57.45 56.44 1o5l n PHE 68 Cb 0.08 -0.32 0.14 0.00 -0.94 0.00 0.00 39.48 38.45 1o5l n PHE 68 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1o5l s SER 69 N -1.00 3.33 0.29 4.37 1.04 -1.17 -5.01 113.70 115.56 1o5l s SER 69 Ca 0.50 1.46 -0.30 0.00 0.48 0.00 0.00 55.95 58.09 1o5l s SER 69 Cb 0.35 -2.13 -0.12 0.00 0.10 0.00 0.00 66.02 64.22 1o5l s SER 69 CO 0.20 -2.73 1.60 -1.54 0.98 0.00 0.00 173.24 171.75 1o5l n SER 70 N -3.94 3.86 -3.69 7.02 3.41 -1.26 -3.73 113.62 115.30 1o5l n SER 70 Ca 0.07 1.15 -0.23 0.00 -0.26 0.00 0.00 58.87 59.59 1o5l n SER 70 Cb 0.55 -1.59 0.01 0.00 -0.26 0.00 0.00 64.21 62.92 1o5l n SER 70 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1o5l n GLU 71 N 2.15 -1.34 -2.44 4.33 2.13 -1.26 -4.86 120.64 119.35 1o5l n GLU 71 Ca 0.08 0.79 -0.42 0.00 0.66 0.00 0.00 57.16 58.28 1o5l n GLU 71 Cb 0.37 -3.07 -0.03 0.00 0.27 0.00 0.00 31.44 28.97 1o5l n GLU 71 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1o5l s PRO 72 N -4.96 4.46 -0.06 5.31 0.04 -1.24 -5.01 135.00 133.53 1o5l s PRO 72 Ca 0.09 1.76 -0.06 0.00 0.04 0.00 0.00 61.00 62.84 1o5l s PRO 72 Cb -0.04 -3.34 0.02 0.00 0.04 0.00 0.00 34.50 31.18 1o5l s PRO 72 CO 0.88 -0.20 0.17 1.03 0.04 0.00 0.00 177.00 178.91 1o5l s ARG 73 N 0.82 0.19 0.09 4.56 0.52 -1.26 -0.90 118.95 122.97 1o5l s ARG 73 Ca 0.57 0.25 -0.31 0.00 -0.52 0.00 0.00 55.73 55.73 1o5l s ARG 73 Cb -0.29 0.07 -0.09 0.00 0.52 0.00 0.00 34.95 35.15 1o5l s ARG 73 CO 0.30 -0.04 1.77 -0.06 0.02 0.00 0.00 175.30 177.29 1o5l s PHE 74 N 0.22 2.15 -0.67 -0.53 0.08 -0.42 -4.87 117.98 113.94 1o5l s PHE 74 Ca -0.01 0.07 0.26 0.00 0.12 0.00 0.00 56.93 57.36 1o5l s PHE 74 Cb -0.02 -4.10 0.83 0.00 -0.57 0.00 0.00 43.02 39.16 1o5l s PHE 74 CO -0.01 -4.53 1.76 -0.35 -0.10 0.00 0.00 175.22 171.99 1o5l n PRO 75 N 5.89 0.26 -4.07 0.24 -0.04 -1.26 -0.41 135.00 135.61 1o5l n PRO 75 Ca 0.17 0.26 -0.08 0.00 -0.04 0.00 0.00 63.50 63.82 1o5l n PRO 75 Cb 0.39 -1.83 -0.10 0.00 -0.04 0.00 0.00 33.50 31.92 1o5l n PRO 75 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1o5l s VAL 76 N -3.15 0.23 0.30 0.52 -7.23 -1.26 -4.78 120.40 105.03 1o5l s VAL 76 Ca 0.09 -1.63 -0.30 0.00 -1.81 0.00 0.00 61.98 58.33 1o5l s VAL 76 Cb 0.12 -1.27 -0.12 0.00 0.56 0.00 0.00 36.38 35.67 1o5l s VAL 76 CO 0.56 -0.89 1.56 0.59 -0.31 0.00 0.00 175.10 176.62 1o5l n ASN 77 N 0.41 3.72 -4.25 4.85 4.13 -0.55 -3.48 115.26 120.08 1o5l n ASN 77 Ca -0.16 1.16 -0.34 0.00 1.68 0.00 0.00 54.58 56.91 1o5l n ASN 77 Cb 0.60 -1.58 -0.15 0.00 -1.54 0.00 0.00 39.78 37.11 1o5l n ASN 77 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1o5l s VAL 78 N -0.14 2.92 0.01 2.41 1.01 0.08 -1.66 120.40 125.04 1o5l s VAL 78 Ca 0.63 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 62.01 1o5l s VAL 78 Cb -0.51 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 1o5l s VAL 78 CO 0.50 0.47 -0.16 -0.69 0.00 0.00 0.00 175.10 175.22 1o5l s VAL 79 N 1.31 1.26 -0.11 2.92 1.01 0.04 0.15 120.40 126.97 1o5l s VAL 79 Ca 0.04 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 1o5l s VAL 79 Cb -0.14 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 1o5l s VAL 79 CO -0.05 0.24 1.32 0.00 0.00 0.00 0.00 175.10 176.60 1o5l s ALA 80 N -0.55 3.62 -0.06 5.51 0.00 0.09 0.43 121.76 130.80 1o5l s ALA 80 Ca 0.05 0.59 0.12 0.00 0.00 0.00 0.00 51.96 52.73 1o5l s ALA 80 Cb -0.07 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 1o5l s ALA 80 CO 0.00 -1.10 1.32 0.78 0.00 0.00 0.00 175.76 176.75 1o5l h GLY 81 N 9.38 0.00 -2.04 0.00 0.00 -0.89 0.25 103.07 109.77 1o5l h GLY 81 Ca -0.31 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.88 1o5l h GLY 81 CO 0.95 0.00 -0.17 -1.83 0.00 0.00 0.00 176.54 175.49 1o5l s GLU 82 N -2.86 1.67 -0.03 4.80 -1.05 -1.17 -4.67 118.70 115.39 1o5l s GLU 82 Ca 0.02 -1.46 -0.38 0.00 -0.15 0.00 0.00 54.97 53.01 1o5l s GLU 82 Cb 0.08 0.45 -0.16 0.00 -0.44 0.00 0.00 34.13 34.06 1o5l s GLU 82 CO 0.78 -0.69 1.48 0.09 0.95 0.00 0.00 175.26 177.87 1o5l n ASN 83 N -0.75 1.93 -4.09 0.83 3.02 -1.26 -4.31 115.26 110.63 1o5l n ASN 83 Ca -0.01 1.10 -0.08 0.00 -0.03 0.00 0.00 54.58 55.56 1o5l n ASN 83 Cb 0.62 -1.18 -0.10 0.00 -0.61 0.00 0.00 39.78 38.51 1o5l n ASN 83 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1o5l s SER 84 N 1.52 0.36 -0.00 6.41 0.01 -0.42 -4.30 113.70 117.27 1o5l s SER 84 Ca 0.89 -1.05 0.01 0.00 1.31 0.00 0.00 55.95 57.11 1o5l s SER 84 Cb -0.98 0.27 -0.00 0.00 0.21 0.00 0.00 66.02 65.51 1o5l s SER 84 CO 0.53 -0.68 -0.05 -0.54 0.41 0.00 0.00 173.24 172.91 1o5l s LYS 85 N -3.97 0.38 0.06 12.44 1.02 -0.45 -1.16 119.74 128.05 1o5l s LYS 85 Ca 0.15 -0.17 0.05 0.00 0.02 0.00 0.00 55.97 56.01 1o5l s LYS 85 Cb 0.07 -0.36 -0.03 0.00 -0.52 0.00 0.00 37.83 37.00 1o5l s LYS 85 CO -0.05 0.10 -0.13 0.42 -0.92 0.00 0.00 175.35 174.77 1o5l s ILE 86 N -0.13 1.05 -0.15 2.17 1.01 0.80 -1.21 121.20 124.74 1o5l s ILE 86 Ca 0.02 -1.15 -0.06 0.00 0.00 0.00 0.00 60.65 59.46 1o5l s ILE 86 Cb -0.02 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 1o5l s ILE 86 CO -0.00 -0.14 0.07 -0.22 0.00 0.00 0.00 174.94 174.64 1o5l s LEU 87 N -1.46 3.90 -0.26 2.97 2.96 0.70 -0.88 118.68 126.61 1o5l s LEU 87 Ca -0.01 0.18 0.02 0.00 -0.22 0.00 0.00 54.13 54.10 1o5l s LEU 87 Cb -0.09 -1.96 0.07 0.00 0.50 0.00 0.00 46.19 44.71 1o5l s LEU 87 CO 0.02 0.27 -0.07 -0.55 -1.32 0.00 0.00 176.35 174.70 1o5l s SER 88 N -0.19 4.27 -0.15 3.68 0.15 -0.19 -0.19 113.70 121.07 1o5l s SER 88 Ca 0.08 -1.42 -0.04 0.00 0.70 0.00 0.00 55.95 55.27 1o5l s SER 88 Cb -0.12 -1.41 -0.03 0.00 -1.71 0.00 0.00 66.02 62.75 1o5l s SER 88 CO 0.01 -0.23 -0.01 -0.63 1.20 0.00 0.00 173.24 173.58 1o5l s ILE 89 N 1.19 4.15 0.29 6.45 1.01 -0.29 -1.84 121.20 132.17 1o5l s ILE 89 Ca -0.05 -0.27 -0.30 0.00 0.00 0.00 0.00 60.65 60.03 1o5l s ILE 89 Cb -0.19 -2.82 -0.12 0.00 0.01 0.00 0.00 42.46 39.33 1o5l s ILE 89 CO -0.06 0.50 1.43 -2.65 0.00 0.00 0.00 174.94 174.16 1o5l n PRO 90 N 3.39 2.28 -0.29 2.79 -0.02 -1.26 -0.84 135.00 141.06 1o5l n PRO 90 Ca -0.17 0.81 0.07 0.00 -2.02 0.00 0.00 63.50 62.19 1o5l n PRO 90 Cb 0.52 -2.48 0.22 0.00 -0.02 0.00 0.00 33.50 31.74 1o5l n PRO 90 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1o5l h LYS 91 N 3.85 0.57 -0.55 -0.52 1.57 -1.92 0.13 116.57 119.70 1o5l h LYS 91 Ca -0.46 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.19 1o5l h LYS 91 Cb 1.26 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 1o5l h LYS 91 CO 0.72 0.37 -0.04 0.93 -0.57 0.00 0.00 179.45 180.87 1o5l h GLU 92 N 0.58 0.99 -0.52 3.15 4.39 -1.90 -0.75 114.58 120.53 1o5l h GLU 92 Ca 0.46 -0.34 -0.06 0.00 0.34 0.00 0.00 59.36 59.76 1o5l h GLU 92 Cb 0.67 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 1o5l h GLU 92 CO -0.38 1.02 0.10 0.28 -1.16 0.00 0.00 179.01 178.86 1o5l h VAL 93 N 0.87 1.25 -0.93 3.13 2.07 -1.75 -2.18 116.25 118.71 1o5l h VAL 93 Ca 0.15 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 1o5l h VAL 93 Cb 0.60 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1o5l h VAL 93 CO 0.04 0.33 0.56 0.15 0.02 0.00 0.00 177.57 178.67 1o5l h PHE 94 N 0.73 1.22 -0.74 1.57 3.57 -0.33 -1.17 116.94 121.79 1o5l h PHE 94 Ca 0.16 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.69 1o5l h PHE 94 Cb 0.38 -0.40 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 1o5l h PHE 94 CO 0.03 0.80 0.46 -0.07 -2.23 0.00 0.00 178.31 177.30 1o5l h LEU 95 N 1.27 0.76 -0.54 0.59 3.38 -1.02 -1.79 115.31 117.97 1o5l h LEU 95 Ca 0.33 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.32 1o5l h LEU 95 Cb -0.06 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1o5l h LEU 95 CO -0.06 0.52 0.34 0.44 0.09 0.00 0.00 178.44 179.77 1o5l h ASP 96 N 0.90 0.58 -0.58 -0.43 3.32 -0.70 -1.95 116.42 117.54 1o5l h ASP 96 Ca 0.30 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 1o5l h ASP 96 Cb 0.03 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1o5l h ASP 96 CO -0.11 0.41 0.35 -0.07 -1.72 0.00 0.00 179.24 178.10 1o5l h LEU 97 N 0.69 0.71 -0.99 1.55 3.38 -0.87 -2.58 115.31 117.20 1o5l h LEU 97 Ca 0.20 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.20 1o5l h LEU 97 Cb -0.04 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.46 1o5l h LEU 97 CO -0.06 0.56 0.63 -0.07 0.09 0.00 0.00 178.44 179.59 1o5l h LEU 98 N 0.79 0.98 -0.99 1.67 3.38 -1.08 -2.11 115.31 117.95 1o5l h LEU 98 Ca 0.21 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1o5l h LEU 98 Cb -0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1o5l h LEU 98 CO -0.04 0.59 -0.19 0.24 0.09 0.00 0.00 178.44 179.13 1o5l h MET 99 N 1.09 0.00 0.00 1.13 2.86 -0.98 -3.28 114.93 115.75 1o5l h MET 99 Ca 0.45 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.09 1o5l h MET 99 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1o5l h MET 99 CO -0.21 0.19 -1.07 1.63 1.06 0.00 0.00 176.91 178.51 1o5l n LYS 100 N -3.30 0.58 -3.72 1.72 4.01 -0.92 -4.89 118.16 111.64 1o5l n LYS 100 Ca 0.01 -0.03 -0.28 0.00 -0.51 0.00 0.00 58.31 57.50 1o5l n LYS 100 Cb 0.44 -1.43 -0.16 0.00 -0.51 0.00 0.00 35.03 33.37 1o5l n LYS 100 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1o5l s ASP 101 N -3.06 2.94 0.13 4.39 -1.08 -0.84 -5.03 116.67 114.12 1o5l s ASP 101 Ca 0.05 -0.86 -0.12 0.00 -0.52 0.00 0.00 52.55 51.10 1o5l s ASP 101 Cb 0.14 -0.58 -0.04 0.00 -1.46 0.00 0.00 42.92 40.98 1o5l s ASP 101 CO 0.80 -0.32 1.49 -0.09 0.52 0.00 0.00 175.17 177.57 1o5l h ARG 102 N 8.25 0.86 -0.74 4.34 2.43 -1.89 -1.81 114.38 125.83 1o5l h ARG 102 Ca -0.16 -0.41 -0.01 0.00 -0.81 0.00 0.00 59.98 58.59 1o5l h ARG 102 Cb 1.11 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.62 1o5l h ARG 102 CO 0.34 1.06 0.42 1.49 -1.51 0.00 0.00 179.97 181.77 1o5l h GLU 103 N 0.67 1.01 -0.13 0.20 4.81 -1.95 0.69 114.58 119.89 1o5l h GLU 103 Ca 0.08 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1o5l h GLU 103 Cb 0.84 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 1o5l h GLU 103 CO 0.07 0.73 -0.05 1.25 -0.73 0.00 0.00 179.01 180.29 1o5l h LEU 104 N 1.03 0.26 -0.14 1.64 5.85 -1.89 -1.30 115.31 120.76 1o5l h LEU 104 Ca 0.26 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.62 1o5l h LEU 104 Cb -0.00 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1o5l h LEU 104 CO -0.05 0.60 -0.08 0.25 -0.34 0.00 0.00 178.44 178.82 1o5l h LEU 105 N -0.08 -0.27 -0.43 2.25 5.85 -0.94 0.51 115.31 122.20 1o5l h LEU 105 Ca 0.03 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1o5l h LEU 105 Cb 0.49 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 1o5l h LEU 105 CO 0.02 -0.11 0.25 -0.07 -0.34 0.00 0.00 178.44 178.19 1o5l h LEU 106 N -0.08 0.41 0.06 2.25 3.38 -0.90 0.23 115.31 120.66 1o5l h LEU 106 Ca 0.08 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1o5l h LEU 106 Cb 0.20 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1o5l h LEU 106 CO -0.19 0.29 -0.23 0.15 0.09 0.00 0.00 178.44 178.55 1o5l h PHE 107 N 0.51 -0.62 -0.18 1.13 3.04 -0.85 -0.28 116.94 119.70 1o5l h PHE 107 Ca 0.17 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.17 1o5l h PHE 107 Cb 0.01 0.27 -0.03 0.00 2.56 0.00 0.00 35.95 38.76 1o5l h PHE 107 CO -0.07 -0.33 -0.01 0.35 -2.02 0.00 0.00 178.31 176.23 1o5l h PHE 108 N -0.40 -0.03 -0.58 0.41 3.57 -0.75 0.11 116.94 119.28 1o5l h PHE 108 Ca 0.04 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 1o5l h PHE 108 Cb 0.45 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 1o5l h PHE 108 CO -0.24 -0.04 0.15 -0.07 -2.23 0.00 0.00 178.31 175.88 1o5l h LEU 109 N 0.05 0.82 -0.65 0.59 3.38 -0.85 -1.75 115.31 116.90 1o5l h LEU 109 Ca 0.08 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1o5l h LEU 109 Cb 0.11 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1o5l h LEU 109 CO -0.15 0.80 0.40 0.50 0.09 0.00 0.00 178.44 180.08 1o5l h LYS 110 N 0.85 0.88 -0.17 1.13 3.64 -0.73 -0.97 116.57 121.21 1o5l h LYS 110 Ca 0.19 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1o5l h LYS 110 Cb 0.29 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1o5l h LYS 110 CO -0.00 0.62 0.10 0.22 -2.27 0.00 0.00 179.45 178.11 1o5l h ASP 111 N 0.89 0.20 -0.46 4.20 1.82 -0.52 -1.12 116.42 121.42 1o5l h ASP 111 Ca 0.24 -0.07 -0.06 0.00 -0.39 0.00 0.00 57.03 56.75 1o5l h ASP 111 Cb -0.04 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 39.90 1o5l h ASP 111 CO -0.05 0.21 0.04 0.58 -1.61 0.00 0.00 179.24 178.41 1o5l h VAL 112 N 0.18 1.25 -0.51 2.25 2.07 -1.29 -2.54 116.25 117.67 1o5l h VAL 112 Ca 0.06 -0.98 -0.11 0.00 0.82 0.00 0.00 66.70 66.49 1o5l h VAL 112 Cb 0.05 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1o5l h VAL 112 CO -0.01 0.34 -0.10 0.28 0.02 0.00 0.00 177.57 178.10 1o5l h SER 113 N 0.65 0.94 -0.62 0.57 0.02 -1.07 -1.17 113.55 112.86 1o5l h SER 113 Ca 0.14 -0.30 -0.09 0.00 -0.84 0.00 0.00 61.79 60.70 1o5l h SER 113 Cb 0.44 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1o5l h SER 113 CO 0.02 1.05 0.05 -0.33 -1.14 0.00 0.00 176.83 176.48 1o5l h GLU 114 N 0.84 1.07 -0.44 3.45 4.39 -1.21 -0.17 114.58 122.51 1o5l h GLU 114 Ca 0.14 -0.31 -0.12 0.00 0.34 0.00 0.00 59.36 59.41 1o5l h GLU 114 Cb 0.64 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1o5l h GLU 114 CO 0.04 1.01 -0.19 0.45 -1.16 0.00 0.00 179.01 179.16 1o5l h HIS 115 N 0.99 0.97 -0.28 4.33 3.86 -1.34 -2.44 115.15 121.24 1o5l h HIS 115 Ca 0.19 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1o5l h HIS 115 Cb 0.49 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 1o5l h HIS 115 CO 0.03 0.97 0.13 0.35 0.86 0.00 0.00 177.93 180.28 1o5l h PHE 116 N 0.76 0.40 -0.66 2.45 3.57 -1.01 -2.81 116.94 119.65 1o5l h PHE 116 Ca 0.11 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 1o5l h PHE 116 Cb 0.72 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 1o5l h PHE 116 CO 0.04 0.37 0.34 -0.09 -2.23 0.00 0.00 178.31 176.74 1o5l h ARG 117 N 0.32 0.93 -0.31 1.11 2.43 -0.92 -0.93 114.38 116.99 1o5l h ARG 117 Ca 0.10 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1o5l h ARG 117 Cb 0.12 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1o5l h ARG 117 CO -0.01 0.71 0.18 0.28 -1.51 0.00 0.00 179.97 179.62 1o5l h VAL 118 N 0.90 1.12 -0.31 0.20 2.07 -1.45 -1.48 116.25 117.31 1o5l h VAL 118 Ca 0.23 -0.32 -0.13 0.00 0.82 0.00 0.00 66.70 67.30 1o5l h VAL 118 Cb 0.07 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1o5l h VAL 118 CO -0.03 0.12 -0.35 1.62 0.02 0.00 0.00 177.57 178.95 1o5l h VAL 119 N 0.39 1.29 -0.38 2.57 3.04 -1.28 -2.43 116.25 119.43 1o5l h VAL 119 Ca 0.11 -1.50 -0.03 0.00 -1.01 0.00 0.00 66.70 64.27 1o5l h VAL 119 Cb 0.05 1.42 -0.02 0.00 -2.01 0.00 0.00 31.29 30.73 1o5l h VAL 119 CO -0.02 0.49 0.11 -1.28 -1.01 0.00 0.00 177.57 175.86 1o5l h SER 120 N 0.59 0.57 -0.37 3.17 0.87 -1.02 -0.53 113.55 116.83 1o5l h SER 120 Ca 0.06 -0.22 -0.09 0.00 -1.23 0.00 0.00 61.79 60.31 1o5l h SER 120 Cb 0.87 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 1o5l h SER 120 CO 0.08 0.63 -0.14 -0.33 -0.53 0.00 0.00 176.83 176.54 1o5l h GLU 121 N 0.48 0.75 -0.28 2.24 5.08 -1.28 -1.10 114.58 120.47 1o5l h GLU 121 Ca 0.12 -0.31 0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1o5l h GLU 121 Cb 0.28 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1o5l h GLU 121 CO -0.00 0.92 0.11 -0.22 -1.00 0.00 0.00 179.01 178.81 1o5l h LYS 122 N 0.55 0.23 -0.92 2.33 3.64 -1.38 -1.32 116.57 119.70 1o5l h LYS 122 Ca 0.09 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1o5l h LYS 122 Cb 0.67 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 1o5l h LYS 122 CO 0.05 0.15 0.56 1.25 -2.27 0.00 0.00 179.45 179.19 1o5l h LEU 123 N 0.24 1.11 -0.37 5.20 5.85 -0.92 -1.99 115.31 124.43 1o5l h LEU 123 Ca 0.12 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1o5l h LEU 123 Cb 0.07 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1o5l h LEU 123 CO -0.11 0.85 0.10 -0.26 -0.34 0.00 0.00 178.44 178.68 1o5l h PHE 124 N 1.27 0.62 -0.38 1.25 0.04 -1.01 -2.90 116.94 115.83 1o5l h PHE 124 Ca 0.33 -0.07 -0.04 0.00 2.80 0.00 0.00 57.97 61.00 1o5l h PHE 124 Cb -0.06 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 37.90 1o5l h PHE 124 CO 0.00 0.60 0.08 0.74 -0.60 0.00 0.00 178.31 179.14 1o5l h PHE 125 N 0.45 0.56 -0.00 -0.55 0.04 -0.90 -1.37 116.94 115.18 1o5l h PHE 125 Ca 0.12 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.85 1o5l h PHE 125 Cb 0.29 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1o5l h PHE 125 CO 0.01 0.50 -0.05 1.28 -0.60 0.00 0.00 178.31 179.45 1o5l n LEU 126 N -4.33 0.05 0.00 1.54 4.77 -0.78 -4.10 117.00 114.16 1o5l n LEU 126 Ca 0.02 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1o5l n LEU 126 Cb 0.19 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1o5l n LEU 126 CO 0.38 0.01 0.24 0.35 -1.33 0.00 0.00 177.39 177.04 1o5l n THR 127 N -1.50 0.08 -2.51 -5.08 -2.24 -0.89 -4.74 114.28 97.39 1o5l n THR 127 Ca 0.07 -0.47 -0.18 0.00 -2.27 0.00 0.00 64.05 61.20 1o5l n THR 127 Cb 0.34 1.08 0.02 0.00 -2.10 0.00 0.00 70.33 69.67 1o5l n THR 127 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1o5l n THR 128 N -0.04 1.82 0.00 4.28 -2.24 -0.57 -5.06 114.28 112.48 1o5l n THR 128 Ca 0.00 -4.01 0.00 0.00 -2.27 0.00 0.00 64.05 57.77 1o5l n THR 128 Cb 0.05 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 1o5l n THR 128 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79