#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3g s ILE 2 N 0.00 2.86 -0.15 2.02 -1.09 -0.75 -0.31 121.20 123.77 2h3g s ILE 2 Ca 0.00 -0.74 -0.06 0.00 -2.23 0.00 0.00 60.65 57.61 2h3g s ILE 2 Cb 0.00 -2.17 -0.04 0.00 -1.58 0.00 0.00 42.46 38.67 2h3g s ILE 2 CO 0.00 0.54 0.07 0.12 -1.23 0.00 0.00 174.94 174.44 2h3g s PHE 3 N 0.15 3.31 -0.04 3.97 5.36 0.08 -0.57 117.98 130.24 2h3g s PHE 3 Ca -0.08 0.19 0.05 0.00 -0.96 0.00 0.00 56.93 56.14 2h3g s PHE 3 Cb -0.15 -1.99 -0.01 0.00 -0.34 0.00 0.00 43.02 40.52 2h3g s PHE 3 CO 0.05 0.34 -0.20 0.08 -1.46 0.00 0.00 175.22 174.03 2h3g s VAL 4 N -0.17 1.61 -0.06 3.12 1.01 0.46 -1.50 120.40 124.87 2h3g s VAL 4 Ca 0.08 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.23 2h3g s VAL 4 Cb -0.12 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 34.92 2h3g s VAL 4 CO 0.01 0.46 -0.07 -0.76 0.00 0.00 0.00 175.10 174.74 2h3g s LEU 5 N -0.19 1.33 -0.31 3.92 1.02 -0.42 -0.84 118.68 123.19 2h3g s LEU 5 Ca 0.01 -0.20 0.03 0.00 0.02 0.00 0.00 54.13 53.99 2h3g s LEU 5 Cb -0.11 -0.61 0.08 0.00 0.02 0.00 0.00 46.19 45.58 2h3g s LEU 5 CO 0.01 -0.05 -0.01 -0.62 0.02 0.00 0.00 176.35 175.71 2h3g s ASP 6 N 1.04 4.69 -0.26 2.29 2.15 -0.45 -0.42 116.67 125.69 2h3g s ASP 6 Ca -0.09 -1.78 -0.09 0.00 0.43 0.00 0.00 52.55 51.02 2h3g s ASP 6 Cb -0.14 -1.62 -0.04 0.00 -0.30 0.00 0.00 42.92 40.82 2h3g s ASP 6 CO -0.00 -0.31 0.13 -0.69 -0.17 0.00 0.00 175.17 174.13 2h3g s VAL 7 N 1.02 4.82 0.47 1.11 1.01 0.25 -1.20 120.40 127.87 2h3g s VAL 7 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.08 2h3g s VAL 7 Cb -0.20 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 32.93 2h3g s VAL 7 CO -0.06 0.30 0.52 -0.83 0.00 0.00 0.00 175.10 175.03 2h3g s GLY 8 N 1.64 2.03 0.23 4.51 0.00 0.63 -2.58 107.32 113.78 2h3g s GLY 8 Ca 0.07 -1.80 -0.06 0.00 0.00 0.00 0.00 44.72 42.93 2h3g s GLY 8 CO 0.07 -1.67 1.77 3.43 0.00 0.00 0.00 173.10 176.71 2h3g h ASN 9 N 0.70 0.45 0.00 1.64 -0.26 -1.99 -3.31 115.58 112.82 2h3g h ASN 9 Ca -0.38 0.07 -0.33 0.00 -0.56 0.00 0.00 56.30 55.10 2h3g h ASN 9 Cb 1.28 -0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 38.48 2h3g h ASN 9 CO 0.50 0.24 -2.13 0.41 -1.06 0.00 0.00 177.43 175.39 2h3g n THR 10 N -4.88 1.12 -4.40 2.81 -1.04 -1.26 -4.67 114.28 101.96 2h3g n THR 10 Ca 0.12 -0.33 -0.28 0.00 -2.04 0.00 0.00 64.05 61.52 2h3g n THR 10 Cb 0.31 -1.60 -0.13 0.00 -1.82 0.00 0.00 70.33 67.10 2h3g n THR 10 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2h3g s ASN 11 N -6.55 3.33 0.02 8.00 0.01 -1.25 -0.05 114.94 118.45 2h3g s ASN 11 Ca -0.28 -0.78 0.07 0.00 -0.71 0.00 0.00 52.86 51.15 2h3g s ASN 11 Cb 0.10 -0.23 -0.03 0.00 0.41 0.00 0.00 41.25 41.50 2h3g s ASN 11 CO 0.39 0.16 -0.19 0.00 -1.51 0.00 0.00 177.10 175.95 2h3g s ALA 12 N -1.25 2.56 -0.08 0.60 0.00 0.16 0.23 121.76 123.98 2h3g s ALA 12 Ca 0.16 -1.16 0.03 0.00 0.00 0.00 0.00 51.96 50.99 2h3g s ALA 12 Cb -0.09 -0.74 0.01 0.00 0.00 0.00 0.00 23.12 22.29 2h3g s ALA 12 CO 0.07 0.57 -0.17 0.08 0.00 0.00 0.00 175.76 176.30 2h3g s VAL 13 N -0.87 1.54 0.14 0.00 1.01 -0.34 -0.82 120.40 121.05 2h3g s VAL 13 Ca 0.14 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.48 2h3g s VAL 13 Cb -0.10 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 2h3g s VAL 13 CO 0.04 0.44 -0.10 -0.76 0.00 0.00 0.00 175.10 174.72 2h3g s LEU 14 N 0.46 2.98 0.06 3.92 1.43 0.90 -1.35 118.68 127.09 2h3g s LEU 14 Ca -0.15 -0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 52.32 2h3g s LEU 14 Cb -0.16 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.35 2h3g s LEU 14 CO 0.06 0.14 0.32 -0.83 0.23 0.00 0.00 176.35 176.27 2h3g s GLY 15 N -2.51 -0.14 -0.09 -3.19 0.00 -0.02 -0.70 107.32 100.68 2h3g s GLY 15 Ca 0.23 -0.03 0.04 0.00 0.00 0.00 0.00 44.72 44.96 2h3g s GLY 15 CO 0.14 -0.25 -0.22 0.54 0.00 0.00 0.00 173.10 173.30 2h3g s VAL 16 N -2.87 1.90 -0.15 1.40 0.11 -0.58 -0.41 120.40 119.81 2h3g s VAL 16 Ca -0.03 -0.94 -0.05 0.00 -2.93 0.00 0.00 61.98 58.03 2h3g s VAL 16 Cb 0.00 -1.64 -0.04 0.00 -1.53 0.00 0.00 36.38 33.17 2h3g s VAL 16 CO -0.05 0.53 0.03 -0.36 -3.33 0.00 0.00 175.10 171.91 2h3g s PHE 17 N 0.30 3.20 -0.12 1.54 0.40 0.27 -0.31 117.98 123.25 2h3g s PHE 17 Ca -0.16 0.04 0.01 0.00 -0.60 0.00 0.00 56.93 56.23 2h3g s PHE 17 Cb -0.17 -1.97 0.02 0.00 0.51 0.00 0.00 43.02 41.41 2h3g s PHE 17 CO 0.07 0.22 -0.15 -2.00 0.70 0.00 0.00 175.22 174.06 2h3g s GLU 18 N -0.01 2.26 -1.41 0.44 2.12 0.13 -1.81 118.70 120.42 2h3g s GLU 18 Ca 0.04 -0.57 -0.02 0.00 0.36 0.00 0.00 54.97 54.79 2h3g s GLU 18 Cb -0.13 -1.96 0.01 0.00 0.26 0.00 0.00 34.13 32.32 2h3g s GLU 18 CO 0.02 -0.11 0.52 0.39 -0.54 0.00 0.00 175.26 175.54 2h3g n GLU 19 N 4.35 -3.71 -0.82 4.30 1.02 -1.26 -1.50 120.64 123.02 2h3g n GLU 19 Ca -0.18 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 2h3g n GLU 19 Cb 0.51 -4.74 0.00 0.00 -0.02 0.00 0.00 31.44 27.19 2h3g n GLU 19 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2h3g n GLY 20 N -1.85 0.30 3.61 0.62 0.00 -1.26 -4.99 105.19 101.61 2h3g n GLY 20 Ca -0.27 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 2h3g n GLY 20 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h3g s GLU 21 N -0.88 2.38 -0.23 1.61 0.41 -0.56 -5.07 118.70 116.35 2h3g s GLU 21 Ca 0.00 -0.87 -0.29 0.00 -0.41 0.00 0.00 54.97 53.40 2h3g s GLU 21 Cb 0.00 -2.43 -0.02 0.00 -1.78 0.00 0.00 34.13 29.91 2h3g s GLU 21 CO 0.00 0.55 1.45 -1.17 -0.49 0.00 0.00 175.26 175.60 2h3g s LEU 22 N -1.92 3.96 -0.11 1.80 2.96 -1.26 0.19 118.68 124.30 2h3g s LEU 22 Ca 0.21 1.51 -0.12 0.00 -0.22 0.00 0.00 54.13 55.51 2h3g s LEU 22 Cb -0.11 -3.54 -0.27 0.00 0.50 0.00 0.00 46.19 42.77 2h3g s LEU 22 CO 0.12 -1.10 0.49 -0.09 -1.32 0.00 0.00 176.35 174.45 2h3g h ARG 23 N 9.77 0.26 -2.59 1.98 2.43 -0.99 -3.47 114.38 121.77 2h3g h ARG 23 Ca -0.30 -0.45 -0.06 0.00 -0.81 0.00 0.00 59.98 58.36 2h3g h ARG 23 Cb 1.13 0.17 -0.16 0.00 -0.42 0.00 0.00 29.97 30.68 2h3g h ARG 23 CO 1.01 1.22 0.10 -1.14 -1.51 0.00 0.00 179.97 179.64 2h3g s GLN 24 N -2.52 1.07 0.06 0.20 2.00 -1.18 -5.01 119.66 114.29 2h3g s GLN 24 Ca -0.21 -0.13 0.01 0.00 -2.00 0.00 0.00 55.36 53.03 2h3g s GLN 24 Cb 0.05 0.49 -0.04 0.00 0.80 0.00 0.00 33.01 34.32 2h3g s GLN 24 CO 0.77 -0.39 -0.05 -3.38 -0.50 0.00 0.00 175.29 171.75 2h3g s HIS 25 N -2.26 0.64 -0.04 1.67 -3.43 -1.26 -1.53 115.29 109.09 2h3g s HIS 25 Ca -0.06 -0.87 -0.05 0.00 -0.80 0.00 0.00 55.06 53.28 2h3g s HIS 25 Cb -0.01 -0.41 0.01 0.00 -1.43 0.00 0.00 32.58 30.74 2h3g s HIS 25 CO 0.00 -0.23 0.13 -1.58 -2.00 0.00 0.00 174.74 171.06 2h3g s TRP 26 N -3.16 -0.10 0.17 0.38 0.51 0.13 -4.97 118.94 111.90 2h3g s TRP 26 Ca 0.03 0.24 0.11 0.00 -2.12 0.00 0.00 56.10 54.36 2h3g s TRP 26 Cb 0.02 0.02 -0.04 0.00 -0.81 0.00 0.00 33.47 32.66 2h3g s TRP 26 CO -0.06 -0.12 -0.24 0.50 -0.51 0.00 0.00 176.95 176.53 2h3g s ARG 27 N -0.26 1.44 0.07 4.98 3.52 -1.26 -0.07 118.95 127.37 2h3g s ARG 27 Ca -0.03 -1.45 -0.26 0.00 -0.13 0.00 0.00 55.73 53.85 2h3g s ARG 27 Cb -0.03 -1.78 0.09 0.00 -1.56 0.00 0.00 34.95 31.67 2h3g s ARG 27 CO 0.00 0.39 0.80 0.00 -0.81 0.00 0.00 175.30 175.68 2h3g s MET 28 N -2.49 1.04 0.24 5.12 0.23 -0.00 -5.00 119.30 118.43 2h3g s MET 28 Ca 0.18 -0.41 -0.30 0.00 -1.03 0.00 0.00 55.69 54.13 2h3g s MET 28 Cb -0.08 0.46 -0.09 0.00 -1.53 0.00 0.00 34.83 33.59 2h3g s MET 28 CO 0.08 -0.46 1.13 -1.21 -2.03 0.00 0.00 175.02 172.53 2h3g s GLU 29 N -3.37 4.59 0.22 3.16 0.41 -1.26 0.38 118.70 122.83 2h3g s GLU 29 Ca 0.05 1.82 -0.30 0.00 -0.41 0.00 0.00 54.97 56.12 2h3g s GLU 29 Cb -0.01 -3.21 -0.09 0.00 -1.78 0.00 0.00 34.13 29.03 2h3g s GLU 29 CO -0.09 0.11 1.37 0.99 -0.49 0.00 0.00 175.26 177.15 2h3g s THR 30 N -0.75 2.98 -0.31 3.63 2.01 0.92 -4.64 115.64 119.48 2h3g s THR 30 Ca 0.47 0.81 0.02 0.00 0.31 0.00 0.00 61.69 63.30 2h3g s THR 30 Cb -0.32 -3.51 0.09 0.00 0.01 0.00 0.00 72.50 68.77 2h3g s THR 30 CO 0.39 0.12 0.04 -0.62 -0.69 0.00 0.00 174.62 173.87 2h3g s ASP 31 N 0.39 4.43 0.00 3.53 -1.08 -1.26 -4.91 116.67 117.77 2h3g s ASP 31 Ca 0.58 -1.85 0.11 0.00 -0.52 0.00 0.00 52.55 50.87 2h3g s ASP 31 Cb -0.39 -1.36 0.48 0.00 -1.46 0.00 0.00 42.92 40.19 2h3g s ASP 31 CO 0.40 -0.36 1.35 0.54 0.52 0.00 0.00 175.17 177.61 2h3g n ARG 32 N 4.48 0.01 0.06 4.34 1.74 -1.26 -2.85 116.66 123.18 2h3g n ARG 32 Ca -0.01 0.30 0.12 0.00 -0.77 0.00 0.00 57.85 57.49 2h3g n ARG 32 Cb 0.42 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.43 2h3g n ARG 32 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2h3g n HIS 33 N -1.49 0.55 -2.79 -1.55 8.25 -1.26 -4.94 115.22 111.99 2h3g n HIS 33 Ca 0.03 0.16 -0.38 0.00 -0.26 0.00 0.00 57.72 57.27 2h3g n HIS 33 Cb 0.13 -0.66 -0.06 0.00 1.12 0.00 0.00 29.99 30.51 2h3g n HIS 33 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2h3g s LYS 34 N -3.24 4.65 0.45 -0.41 1.02 -1.13 -5.06 119.74 116.01 2h3g s LYS 34 Ca 0.03 1.35 0.02 0.00 0.02 0.00 0.00 55.97 57.39 2h3g s LYS 34 Cb 0.13 -2.96 0.00 0.00 -0.52 0.00 0.00 37.83 34.48 2h3g s LYS 34 CO 0.77 0.37 0.65 0.95 -0.92 0.00 0.00 175.35 177.17 2h3g s THR 35 N -1.47 3.75 0.26 2.17 -4.23 -1.26 -4.92 115.64 109.93 2h3g s THR 35 Ca 0.47 -0.63 -0.02 0.00 -1.18 0.00 0.00 61.69 60.33 2h3g s THR 35 Cb -0.21 -3.37 0.23 0.00 1.34 0.00 0.00 72.50 70.50 2h3g s THR 35 CO 0.26 -0.23 1.77 1.05 -0.54 0.00 0.00 174.62 176.93 2h3g h GLU 36 N 0.44 0.64 -0.32 3.99 4.11 -1.97 0.06 114.58 121.52 2h3g h GLU 36 Ca -0.45 -0.04 -0.12 0.00 0.07 0.00 0.00 59.36 58.82 2h3g h GLU 36 Cb 1.26 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2h3g h GLU 36 CO 0.55 0.42 -0.30 -0.44 0.07 0.00 0.00 179.01 179.32 2h3g h ASP 37 N 0.66 0.70 0.29 3.06 3.32 -1.95 -1.14 116.42 121.36 2h3g h ASP 37 Ca 0.45 -0.27 -0.14 0.00 0.02 0.00 0.00 57.03 57.08 2h3g h ASP 37 Cb 0.59 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2h3g h ASP 37 CO -0.34 0.96 -0.57 -0.33 -1.72 0.00 0.00 179.24 177.24 2h3g h GLU 38 N 0.58 0.29 -0.42 3.56 5.08 -1.73 -0.84 114.58 121.09 2h3g h GLU 38 Ca 0.07 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2h3g h GLU 38 Cb 0.80 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 2h3g h GLU 38 CO 0.07 0.78 0.26 1.88 -1.00 0.00 0.00 179.01 180.99 2h3g h TYR 39 N 0.22 0.55 -0.38 4.33 0.05 -0.92 -1.94 116.97 118.88 2h3g h TYR 39 Ca -0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 2h3g h TYR 39 Cb 1.06 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.60 2h3g h TYR 39 CO 0.02 0.38 0.16 0.78 -1.05 0.00 0.00 178.16 178.46 2h3g h GLY 40 N 0.56 0.60 1.23 3.88 0.00 -0.97 0.25 103.07 108.63 2h3g h GLY 40 Ca 0.15 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 2h3g h GLY 40 CO -0.03 0.30 0.26 -0.33 0.00 0.00 0.00 176.54 176.74 2h3g h MET 41 N 0.47 0.98 -0.21 4.80 2.86 -1.18 0.11 114.93 122.76 2h3g h MET 41 Ca 0.13 -0.16 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 2h3g h MET 41 Cb 0.16 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2h3g h MET 41 CO -0.01 0.80 -0.10 1.25 1.06 0.00 0.00 176.91 179.91 2h3g h LEU 42 N 0.96 0.46 -0.36 1.22 5.85 -0.95 -2.59 115.31 119.90 2h3g h LEU 42 Ca 0.22 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.55 2h3g h LEU 42 Cb 0.19 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2h3g h LEU 42 CO -0.02 0.76 0.22 0.58 -0.34 0.00 0.00 178.44 179.65 2h3g h VAL 43 N 0.15 1.06 -0.71 1.05 2.07 -0.79 -1.68 116.25 117.40 2h3g h VAL 43 Ca 0.05 -0.16 0.15 0.00 0.82 0.00 0.00 66.70 67.57 2h3g h VAL 43 Cb 0.59 0.56 -0.11 0.00 -1.52 0.00 0.00 31.29 30.81 2h3g h VAL 43 CO 0.03 0.08 0.14 0.50 0.02 0.00 0.00 177.57 178.34 2h3g h LYS 44 N 0.45 0.23 -0.56 1.57 3.64 -0.80 0.12 116.57 121.23 2h3g h LYS 44 Ca 0.14 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 2h3g h LYS 44 Cb -0.02 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 2h3g h LYS 44 CO -0.05 0.15 -0.03 0.37 -2.27 0.00 0.00 179.45 177.63 2h3g h GLN 45 N 0.24 1.01 -0.43 1.90 4.15 -0.99 0.49 115.11 121.49 2h3g h GLN 45 Ca 0.40 -0.34 -0.04 0.00 0.77 0.00 0.00 58.65 59.44 2h3g h GLN 45 Cb 0.67 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.26 2h3g h GLN 45 CO -0.51 1.02 0.11 -0.07 -1.93 0.00 0.00 178.83 177.45 2h3g h LEU 46 N 0.90 0.64 0.13 -2.39 3.38 -0.31 -2.14 115.31 115.52 2h3g h LEU 46 Ca 0.16 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2h3g h LEU 46 Cb 0.58 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2h3g h LEU 46 CO 0.03 0.70 -0.06 -0.07 0.09 0.00 0.00 178.44 179.13 2h3g h LEU 47 N 0.55 -0.14 -0.55 1.67 3.38 -0.69 -2.74 115.31 116.78 2h3g h LEU 47 Ca 0.13 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.13 2h3g h LEU 47 Cb 0.30 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 2h3g h LEU 47 CO -0.00 -0.02 0.06 -0.33 0.09 0.00 0.00 178.44 178.25 2h3g h GLU 48 N -0.27 0.18 0.00 1.13 5.08 -0.79 0.94 114.58 120.85 2h3g h GLU 48 Ca -0.02 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2h3g h GLU 48 Cb 0.21 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2h3g h GLU 48 CO 0.03 0.12 -0.02 1.25 -1.00 0.00 0.00 179.01 179.39 2h3g h HIS 49 N 0.19 0.00 -0.01 4.33 2.76 -1.35 -0.85 115.15 120.21 2h3g h HIS 49 Ca 0.28 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.45 2h3g h HIS 49 Cb 0.42 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.38 2h3g h HIS 49 CO -0.28 0.02 -0.31 -1.91 -1.30 0.00 0.00 177.93 174.15 2h3g n GLU 50 N -3.19 1.20 -1.23 5.26 4.07 -0.19 -4.95 120.64 121.61 2h3g n GLU 50 Ca -0.02 -0.88 0.00 0.00 -0.06 0.00 0.00 57.16 56.21 2h3g n GLU 50 Cb 0.18 -1.48 0.00 0.00 -0.06 0.00 0.00 31.44 30.07 2h3g n GLU 50 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2h3g n GLY 51 N 1.36 0.60 3.44 8.31 0.00 -0.32 -5.06 105.19 113.52 2h3g n GLY 51 Ca 0.12 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 2h3g n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h3g s LEU 52 N 0.00 2.56 0.35 0.99 1.43 0.15 -5.00 118.68 119.16 2h3g s LEU 52 Ca 0.00 -1.15 0.08 0.00 -1.03 0.00 0.00 54.13 52.03 2h3g s LEU 52 Cb 0.00 -0.77 -0.07 0.00 0.03 0.00 0.00 46.19 45.38 2h3g s LEU 52 CO 0.00 -0.25 -0.04 -0.44 0.23 0.00 0.00 176.35 175.86 2h3g s SER 53 N -3.46 3.50 0.30 2.29 0.01 -1.26 -2.99 113.70 112.09 2h3g s SER 53 Ca 0.29 -1.27 0.04 0.00 1.31 0.00 0.00 55.95 56.32 2h3g s SER 53 Cb 0.02 -0.31 0.66 0.00 0.21 0.00 0.00 66.02 66.60 2h3g s SER 53 CO 0.12 -0.35 1.83 -0.26 0.41 0.00 0.00 173.24 174.99 2h3g h PHE 54 N 1.99 1.05 -0.20 2.43 0.04 -1.95 -1.46 116.94 118.84 2h3g h PHE 54 Ca -0.42 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.44 2h3g h PHE 54 Cb 1.24 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 39.06 2h3g h PHE 54 CO 0.72 0.36 0.18 1.49 -0.60 0.00 0.00 178.31 180.47 2h3g h GLU 55 N 0.87 0.00 0.00 1.51 4.81 -1.94 -0.97 114.58 118.86 2h3g h GLU 55 Ca 0.51 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.70 2h3g h GLU 55 Cb 0.65 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 2h3g h GLU 55 CO -0.28 0.00 -0.19 -0.44 -0.73 0.00 0.00 179.01 177.37 2h3g h ASP 56 N 0.00 0.00 -3.45 1.04 3.32 -1.66 -3.42 116.42 112.24 2h3g h ASP 56 Ca 0.10 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.55 2h3g h ASP 56 Cb 0.45 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.90 2h3g h ASP 56 CO -0.00 0.19 0.09 -0.69 -1.72 0.00 0.00 179.24 177.11 2h3g s VAL 57 N -3.89 5.03 -0.42 -1.35 1.01 -0.37 -0.20 120.40 120.21 2h3g s VAL 57 Ca -0.01 1.11 0.08 0.00 0.00 0.00 0.00 61.98 63.16 2h3g s VAL 57 Cb 0.12 -3.91 -0.09 0.00 0.00 0.00 0.00 36.38 32.50 2h3g s VAL 57 CO 0.62 0.10 0.37 0.29 0.00 0.00 0.00 175.10 176.47 2h3g n LYS 58 N 5.22 4.12 -3.48 2.72 4.76 0.57 -4.85 118.16 127.22 2h3g n LYS 58 Ca -0.02 -0.03 -0.14 0.00 -2.87 0.00 0.00 58.31 55.25 2h3g n LYS 58 Cb 0.50 -0.90 -0.04 0.00 -1.84 0.00 0.00 35.03 32.74 2h3g n LYS 58 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2h3g s GLY 59 N -1.76 -0.57 -0.07 0.72 0.00 -1.21 -5.01 107.32 99.42 2h3g s GLY 59 Ca 0.03 1.02 -0.05 0.00 0.00 0.00 0.00 44.72 45.72 2h3g s GLY 59 CO 0.34 0.60 0.17 -0.42 0.00 0.00 0.00 173.10 173.79 2h3g s ILE 60 N -2.34 -0.02 -0.03 0.90 1.01 -1.26 -0.74 121.20 118.72 2h3g s ILE 60 Ca -0.05 0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.74 2h3g s ILE 60 Cb -0.00 -0.26 -0.01 0.00 0.01 0.00 0.00 42.46 42.20 2h3g s ILE 60 CO -0.01 0.04 -0.16 -0.51 0.00 0.00 0.00 174.94 174.29 2h3g s ILE 61 N 0.66 1.33 -0.05 2.92 2.07 -0.56 -0.80 121.20 126.77 2h3g s ILE 61 Ca -0.05 -0.68 0.05 0.00 -1.41 0.00 0.00 60.65 58.56 2h3g s ILE 61 Cb -0.06 -1.14 -0.01 0.00 0.13 0.00 0.00 42.46 41.39 2h3g s ILE 61 CO -0.03 0.38 -0.20 0.54 -1.91 0.00 0.00 174.94 173.72 2h3g s VAL 62 N -0.07 1.63 -0.10 4.00 0.11 0.79 -1.31 120.40 125.46 2h3g s VAL 62 Ca -0.01 -0.83 0.03 0.00 -2.93 0.00 0.00 61.98 58.25 2h3g s VAL 62 Cb -0.10 -1.39 -0.01 0.00 -1.53 0.00 0.00 36.38 33.36 2h3g s VAL 62 CO 0.01 0.46 -0.22 -0.55 -3.33 0.00 0.00 175.10 171.48 2h3g s SER 63 N -0.03 3.31 -0.10 3.54 0.15 0.43 -1.27 113.70 119.74 2h3g s SER 63 Ca -0.04 -0.49 -0.15 0.00 0.70 0.00 0.00 55.95 55.97 2h3g s SER 63 Cb -0.12 -1.35 0.04 0.00 -1.71 0.00 0.00 66.02 62.88 2h3g s SER 63 CO 0.03 0.18 0.38 -0.55 1.20 0.00 0.00 173.24 174.48 2h3g s SER 64 N 0.23 -0.36 -0.12 5.45 0.15 -1.26 0.85 113.70 118.64 2h3g s SER 64 Ca -0.14 0.57 0.15 0.00 0.70 0.00 0.00 55.95 57.23 2h3g s SER 64 Cb -0.17 0.64 0.38 0.00 -1.71 0.00 0.00 66.02 65.17 2h3g s SER 64 CO 0.07 -0.26 1.29 1.33 1.20 0.00 0.00 173.24 176.87 2h3g n VAL 65 N 2.27 1.86 -3.78 4.45 0.24 -1.07 -4.88 118.33 117.43 2h3g n VAL 65 Ca -0.16 -1.76 -0.29 0.00 -2.04 0.00 0.00 64.34 60.08 2h3g n VAL 65 Cb 0.57 -0.06 -0.13 0.00 -1.47 0.00 0.00 33.84 32.75 2h3g n VAL 65 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2h3g s VAL 66 N -2.39 1.91 0.23 3.34 1.01 -1.26 -4.84 120.40 118.40 2h3g s VAL 66 Ca 0.33 -3.13 -0.07 0.00 0.00 0.00 0.00 61.98 59.11 2h3g s VAL 66 Cb 0.26 -2.31 0.19 0.00 0.00 0.00 0.00 36.38 34.52 2h3g s VAL 66 CO 0.08 -0.93 1.86 -0.65 0.00 0.00 0.00 175.10 175.45 2h3g h PRO 67 N 6.27 0.94 0.00 2.72 0.11 -2.00 -2.45 132.00 137.59 2h3g h PRO 67 Ca 0.03 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2h3g h PRO 67 Cb 0.88 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.78 2h3g h PRO 67 CO 0.57 0.62 0.11 -0.35 -0.21 0.00 0.00 178.00 178.75 2h3g n PRO 68 N -4.62 0.09 0.00 1.05 -0.04 -1.26 -1.16 135.00 129.07 2h3g n PRO 68 Ca 0.11 0.57 0.07 0.00 -0.04 0.00 0.00 63.50 64.21 2h3g n PRO 68 Cb 0.13 -1.92 0.03 0.00 -0.04 0.00 0.00 33.50 31.70 2h3g n PRO 68 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2h3g n ILE 69 N -2.02 0.00 -0.06 0.52 -5.35 -0.93 -4.65 119.36 106.87 2h3g n ILE 69 Ca -0.01 -0.43 -0.04 0.00 -0.27 0.00 0.00 62.75 62.00 2h3g n ILE 69 Cb 0.13 1.24 0.18 0.00 -1.74 0.00 0.00 39.64 39.46 2h3g n ILE 69 CO 0.00 0.00 0.00 0.24 -1.76 0.00 0.00 176.55 175.03 2h3g h MET 70 N 2.26 0.67 -0.59 6.28 2.86 -1.14 -2.15 114.93 123.13 2h3g h MET 70 Ca 0.00 -0.20 -0.05 0.00 -2.06 0.00 0.00 59.70 57.39 2h3g h MET 70 Cb 0.55 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 2h3g h MET 70 CO 0.00 0.75 0.19 0.35 1.06 0.00 0.00 176.91 179.26 2h3g h PHE 71 N 0.62 0.94 -0.17 -0.22 3.57 -1.83 0.36 116.94 120.21 2h3g h PHE 71 Ca 0.11 -0.09 -0.14 0.00 3.53 0.00 0.00 57.97 61.38 2h3g h PHE 71 Cb 0.52 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2h3g h PHE 71 CO 0.02 0.78 -0.44 0.00 -2.23 0.00 0.00 178.31 176.45 2h3g h ALA 72 N 1.05 0.28 -0.57 2.41 0.00 -1.83 -1.11 119.26 119.50 2h3g h ALA 72 Ca 0.19 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 2h3g h ALA 72 Cb 0.28 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2h3g h ALA 72 CO -0.01 0.41 0.11 -0.07 0.00 0.00 0.00 179.25 179.70 2h3g h LEU 73 N 0.26 0.88 -0.39 0.00 3.38 -1.18 0.04 115.31 118.30 2h3g h LEU 73 Ca -0.01 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2h3g h LEU 73 Cb 1.05 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2h3g h LEU 73 CO 0.10 0.91 0.24 -0.33 0.09 0.00 0.00 178.44 179.45 2h3g h GLU 74 N 0.82 0.52 -0.46 1.13 5.08 -0.89 -0.48 114.58 120.31 2h3g h GLU 74 Ca 0.17 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2h3g h GLU 74 Cb 0.39 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2h3g h GLU 74 CO 0.01 0.38 0.21 0.00 -1.00 0.00 0.00 179.01 178.61 2h3g h ARG 75 N 0.52 0.66 -0.57 2.33 3.08 -1.01 -0.45 114.38 118.95 2h3g h ARG 75 Ca 0.14 -0.10 0.09 0.00 0.07 0.00 0.00 59.98 60.18 2h3g h ARG 75 Cb -0.02 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 29.84 2h3g h ARG 75 CO -0.03 0.57 0.17 1.98 -1.07 0.00 0.00 179.97 181.59 2h3g h MET 76 N 0.60 0.31 -0.15 0.04 4.05 -0.89 0.51 114.93 119.40 2h3g h MET 76 Ca 0.16 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.55 2h3g h MET 76 Cb 0.13 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 2h3g h MET 76 CO -0.02 0.21 0.07 0.00 0.23 0.00 0.00 176.91 177.39 2h3g h GLU 78 N 0.11 1.31 0.04 0.00 5.08 -0.73 -0.85 114.58 119.55 2h3g h GLU 78 Ca 0.05 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2h3g h GLU 78 Cb 0.14 -0.30 0.01 0.00 0.50 0.00 0.00 28.75 29.11 2h3g h GLU 78 CO -0.01 0.87 -0.36 -0.22 -1.00 0.00 0.00 179.01 178.29 2h3g h LYS 79 N 1.35 0.17 0.02 2.33 3.64 -0.73 -2.75 116.57 120.60 2h3g h LYS 79 Ca 0.37 -0.24 -0.30 0.00 -1.27 0.00 0.00 60.65 59.21 2h3g h LYS 79 Cb -0.14 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.71 2h3g h LYS 79 CO -0.08 1.05 -1.72 1.88 -2.27 0.00 0.00 179.45 178.31 2h3g h TYR 80 N -0.60 0.06 0.00 1.91 0.05 -1.18 -3.38 116.97 113.84 2h3g h TYR 80 Ca -0.06 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.68 2h3g h TYR 80 Cb 1.21 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.95 2h3g h TYR 80 CO 0.21 1.10 -0.75 1.19 -1.05 0.00 0.00 178.16 178.86 2h3g n PHE 81 N -3.11 0.00 -3.61 4.88 3.01 -0.38 -4.86 117.46 113.38 2h3g n PHE 81 Ca -0.18 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.01 2h3g n PHE 81 Cb 1.05 -0.04 0.03 0.00 -0.01 0.00 0.00 39.48 40.51 2h3g n PHE 81 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2h3g n LYS 82 N -1.40 -5.38 -4.32 -1.08 5.02 -0.85 -4.98 118.16 105.17 2h3g n LYS 82 Ca 0.02 0.66 -0.19 0.00 -2.02 0.00 0.00 58.31 56.78 2h3g n LYS 82 Cb 0.22 -5.54 -0.15 0.00 -0.02 0.00 0.00 35.03 29.54 2h3g n LYS 82 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2h3g s ILE 83 N -3.21 0.68 -0.24 -0.18 1.01 -1.10 -4.96 121.20 113.20 2h3g s ILE 83 Ca 0.55 -0.32 -0.21 0.00 0.00 0.00 0.00 60.65 60.67 2h3g s ILE 83 Cb -0.27 -0.60 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 2h3g s ILE 83 CO 0.67 0.21 0.65 -0.54 0.00 0.00 0.00 174.94 175.93 2h3g s LYS 84 N 0.10 4.14 0.50 2.79 1.02 -1.26 -2.40 119.74 124.62 2h3g s LYS 84 Ca -0.01 0.60 -0.19 0.00 0.02 0.00 0.00 55.97 56.38 2h3g s LYS 84 Cb -0.07 -3.63 -0.08 0.00 -0.52 0.00 0.00 37.83 33.53 2h3g s LYS 84 CO 0.00 -0.38 1.02 -1.25 -0.92 0.00 0.00 175.35 173.82 2h3g s PRO 85 N 2.41 3.79 0.11 -1.68 0.04 -1.26 -4.85 135.00 133.55 2h3g s PRO 85 Ca 0.27 1.26 -0.31 0.00 0.04 0.00 0.00 61.00 62.27 2h3g s PRO 85 Cb -0.16 -2.10 -0.08 0.00 0.04 0.00 0.00 34.50 32.20 2h3g s PRO 85 CO 0.09 -0.43 1.46 -1.17 0.04 0.00 0.00 177.00 176.99 2h3g s LEU 86 N -3.67 4.36 -0.23 -3.56 2.96 0.02 -4.92 118.68 113.64 2h3g s LEU 86 Ca 0.65 2.38 -0.06 0.00 -0.22 0.00 0.00 54.13 56.88 2h3g s LEU 86 Cb -0.15 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 42.94 2h3g s LEU 86 CO 0.23 -0.72 0.03 -0.69 -1.32 0.00 0.00 176.35 173.88 2h3g s VAL 87 N 1.40 4.04 -0.15 1.68 1.01 -1.26 -0.15 120.40 126.98 2h3g s VAL 87 Ca 0.67 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.09 2h3g s VAL 87 Cb -0.38 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 2h3g s VAL 87 CO 0.30 0.38 1.89 -0.69 0.00 0.00 0.00 175.10 176.98 2h3g s VAL 88 N 1.46 3.30 0.27 2.92 1.01 -0.39 -4.83 120.40 124.13 2h3g s VAL 88 Ca 0.05 0.34 -0.19 0.00 0.00 0.00 0.00 61.98 62.18 2h3g s VAL 88 Cb -0.15 -3.31 0.07 0.00 0.00 0.00 0.00 36.38 32.99 2h3g s VAL 88 CO 0.02 -0.13 0.95 -0.83 0.00 0.00 0.00 175.10 175.11 2h3g s GLY 89 N 5.46 0.23 0.03 4.51 0.00 -1.26 -4.76 107.32 111.53 2h3g s GLY 89 Ca 0.85 -0.52 -0.38 0.00 0.00 0.00 0.00 44.72 44.67 2h3g s GLY 89 CO 0.34 1.47 1.35 -1.05 0.00 0.00 0.00 173.10 175.22 2h3g n PRO 90 N -0.64 1.00 -0.20 2.90 -0.02 -1.26 -1.61 135.00 135.17 2h3g n PRO 90 Ca -0.05 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2h3g n PRO 90 Cb 0.60 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 2h3g n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h3g n GLY 91 N 2.59 0.65 3.76 -1.23 0.00 -1.26 -5.05 105.19 104.65 2h3g n GLY 91 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2h3g n GLY 91 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2h3g s ILE 92 N -2.45 3.40 0.01 -0.61 2.07 -0.63 -5.05 121.20 117.94 2h3g s ILE 92 Ca 0.00 1.35 -0.22 0.00 -1.41 0.00 0.00 60.65 60.38 2h3g s ILE 92 Cb 0.00 -3.86 -0.05 0.00 0.13 0.00 0.00 42.46 38.68 2h3g s ILE 92 CO 0.00 0.30 0.64 -0.54 -1.91 0.00 0.00 174.94 173.42 2h3g s LYS 93 N -1.22 4.36 0.00 3.50 -0.14 -1.26 -4.96 119.74 120.02 2h3g s LYS 93 Ca 0.47 0.82 0.00 0.00 -1.36 0.00 0.00 55.97 55.90 2h3g s LYS 93 Cb -0.33 -3.34 0.00 0.00 -1.68 0.00 0.00 37.83 32.48 2h3g s LYS 93 CO 0.42 0.36 0.00 0.25 -0.76 0.00 0.00 175.35 175.62 2h3g n THR 94 N 2.70 0.00 -0.96 2.17 -2.24 -1.26 -4.77 114.28 109.92 2h3g n THR 94 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2h3g n THR 94 Cb 0.51 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 2h3g n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2h3g n GLY 95 N 1.59 0.67 3.67 3.38 0.00 -1.26 -4.96 105.19 108.29 2h3g n GLY 95 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2h3g n GLY 95 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2h3g s LEU 96 N 0.00 4.17 -0.56 0.99 2.96 -1.26 -5.02 118.68 119.96 2h3g s LEU 96 Ca 0.00 0.87 -0.28 0.00 -0.22 0.00 0.00 54.13 54.49 2h3g s LEU 96 Cb 0.00 -2.89 0.03 0.00 0.50 0.00 0.00 46.19 43.83 2h3g s LEU 96 CO 0.00 -0.23 1.19 0.21 -1.32 0.00 0.00 176.35 176.20 2h3g s ASN 97 N 1.10 6.48 -0.33 3.68 3.84 -1.26 -5.00 114.94 123.44 2h3g s ASN 97 Ca 0.29 0.20 -0.14 0.00 0.21 0.00 0.00 52.86 53.42 2h3g s ASN 97 Cb -0.16 -2.55 -0.02 0.00 -0.55 0.00 0.00 41.25 37.97 2h3g s ASN 97 CO 0.11 -1.44 0.30 -0.63 -2.79 0.00 0.00 177.10 172.65 2h3g s ILE 98 N 4.89 5.23 -0.33 -5.21 1.01 -1.26 -0.04 121.20 125.48 2h3g s ILE 98 Ca 0.44 -0.02 0.21 0.00 0.00 0.00 0.00 60.65 61.28 2h3g s ILE 98 Cb -0.07 -3.75 -0.29 0.00 0.01 0.00 0.00 42.46 38.36 2h3g s ILE 98 CO 0.27 -0.02 0.59 0.29 0.00 0.00 0.00 174.94 176.07 2h3g n LYS 99 N 5.24 0.53 -1.46 2.79 4.76 0.55 -4.93 118.16 125.64 2h3g n LYS 99 Ca -0.11 -0.13 -0.52 0.00 -2.87 0.00 0.00 58.31 54.68 2h3g n LYS 99 Cb 0.50 -1.48 -0.05 0.00 -1.84 0.00 0.00 35.03 32.16 2h3g n LYS 99 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 2h3g n TYR 100 N -1.98 0.14 0.21 2.13 9.36 -1.03 -4.87 117.16 121.11 2h3g n TYR 100 Ca -0.01 0.98 0.07 0.00 3.32 0.00 0.00 57.90 62.26 2h3g n TYR 100 Cb 0.47 -2.04 0.43 0.00 -0.63 0.00 0.00 39.34 37.56 2h3g n TYR 100 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2h3g h GLU 101 N 2.02 0.00 -2.31 2.98 5.08 -1.92 -3.29 114.58 117.13 2h3g h GLU 101 Ca -0.39 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.25 2h3g h GLU 101 Cb 1.43 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.35 2h3g h GLU 101 CO 0.61 0.31 0.36 0.09 -1.00 0.00 0.00 179.01 179.38 2h3g n ASN 102 N -3.61 6.13 -0.18 1.42 3.02 -1.26 -4.91 115.26 115.87 2h3g n ASN 102 Ca -0.01 -3.65 0.04 0.00 -0.03 0.00 0.00 54.58 50.93 2h3g n ASN 102 Cb 0.43 -0.95 0.33 0.00 -0.61 0.00 0.00 39.78 38.98 2h3g n ASN 102 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2h3g h PRO 103 N 3.89 0.79 0.00 3.52 0.13 -1.94 -1.62 132.00 136.77 2h3g h PRO 103 Ca 0.36 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 65.37 2h3g h PRO 103 Cb 0.42 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.36 2h3g h PRO 103 CO 1.05 0.53 -0.32 0.00 -0.23 0.00 0.00 178.00 179.03 2h3g h ARG 104 N 0.82 0.00 -0.00 0.86 3.08 -1.94 -2.81 114.38 114.39 2h3g h ARG 104 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2h3g h ARG 104 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2h3g h ARG 104 CO -0.08 0.32 -0.22 0.39 -1.07 0.00 0.00 179.97 179.30 2h3g n GLU 105 N -3.49 0.38 -1.88 0.04 1.02 -0.62 -4.86 120.64 111.23 2h3g n GLU 105 Ca -0.00 -0.16 -0.42 0.00 -0.02 0.00 0.00 57.16 56.56 2h3g n GLU 105 Cb 0.48 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.37 2h3g n GLU 105 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2h3g s VAL 106 N -2.73 3.24 0.15 2.62 1.01 -1.06 -4.94 120.40 118.69 2h3g s VAL 106 Ca 0.20 0.42 -0.33 0.00 0.00 0.00 0.00 61.98 62.27 2h3g s VAL 106 Cb 0.19 -3.27 -0.16 0.00 0.00 0.00 0.00 36.38 33.14 2h3g s VAL 106 CO 0.56 -0.03 1.15 0.61 0.00 0.00 0.00 175.10 177.39 2h3g n GLY 107 N 4.23 -0.01 0.32 4.51 0.00 -1.26 -4.85 105.19 108.12 2h3g n GLY 107 Ca 0.18 0.56 0.16 0.00 0.00 0.00 0.00 46.02 46.92 2h3g n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h3g h ALA 108 N 3.36 1.42 0.00 4.61 0.00 -1.95 -1.45 119.26 125.25 2h3g h ALA 108 Ca -0.44 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2h3g h ALA 108 Cb 1.35 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2h3g h ALA 108 CO 0.70 -0.54 0.00 -0.44 0.00 0.00 0.00 179.25 178.97 2h3g h ASP 109 N 0.17 0.00 -0.22 0.00 3.32 -1.99 -1.98 116.42 115.72 2h3g h ASP 109 Ca 0.61 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.51 2h3g h ASP 109 Cb 1.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 2h3g h ASP 109 CO -0.70 0.00 -0.38 0.03 -1.72 0.00 0.00 179.24 176.47 2h3g h ARG 110 N 0.00 0.76 0.01 3.56 2.47 -1.62 0.18 114.38 119.74 2h3g h ARG 110 Ca 0.00 -0.39 -0.00 0.00 -1.26 0.00 0.00 59.98 58.33 2h3g h ARG 110 Cb 0.79 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.11 2h3g h ARG 110 CO 0.00 1.01 -0.00 0.82 0.56 0.00 0.00 179.97 182.35 2h3g h ILE 111 N 0.62 1.29 -0.33 2.04 2.04 -1.26 -1.33 117.51 120.59 2h3g h ILE 111 Ca 0.05 -0.91 0.06 0.00 1.00 0.00 0.00 64.86 65.06 2h3g h ILE 111 Cb 0.93 1.91 -0.05 0.00 -0.74 0.00 0.00 36.82 38.87 2h3g h ILE 111 CO 0.08 0.24 -0.02 0.58 0.00 0.00 0.00 178.15 179.03 2h3g h VAL 112 N -0.40 0.74 -0.81 1.67 2.07 -1.35 -0.55 116.25 117.61 2h3g h VAL 112 Ca -0.00 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 2h3g h VAL 112 Cb 0.39 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 2h3g h VAL 112 CO 0.00 0.01 0.40 0.78 0.02 0.00 0.00 177.57 178.78 2h3g h ASN 113 N 0.07 1.05 -0.41 0.57 2.35 -0.96 -1.03 115.58 117.22 2h3g h ASN 113 Ca 0.16 -0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.68 2h3g h ASN 113 Cb 0.22 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 2h3g h ASN 113 CO -0.28 0.88 -0.18 0.00 -1.65 0.00 0.00 177.43 176.20 2h3g h ALA 114 N 1.28 0.58 0.06 -0.83 0.00 -0.70 0.27 119.26 119.92 2h3g h ALA 114 Ca 0.28 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2h3g h ALA 114 Cb 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2h3g h ALA 114 CO -0.04 0.52 -0.03 0.28 0.00 0.00 0.00 179.25 179.99 2h3g h VAL 115 N 0.67 0.96 -0.26 0.00 2.07 -0.90 -1.17 116.25 117.62 2h3g h VAL 115 Ca 0.09 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 2h3g h VAL 115 Cb 0.74 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2h3g h VAL 115 CO 0.06 0.01 0.12 0.00 0.02 0.00 0.00 177.57 177.78 2h3g h ALA 116 N 0.84 0.34 -0.33 1.67 0.00 -1.14 -2.43 119.26 118.20 2h3g h ALA 116 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2h3g h ALA 116 Cb 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2h3g h ALA 116 CO 0.01 -0.09 0.21 0.78 0.00 0.00 0.00 179.25 180.17 2h3g h GLY 117 N 0.28 0.47 0.92 0.00 0.00 -0.36 0.21 103.07 104.59 2h3g h GLY 117 Ca 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 2h3g h GLY 117 CO -0.01 0.18 0.10 -2.22 0.00 0.00 0.00 176.54 174.59 2h3g h ILE 118 N 0.44 1.14 -0.73 2.60 2.04 -1.25 0.34 117.51 122.11 2h3g h ILE 118 Ca 0.12 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2h3g h ILE 118 Cb -0.03 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 2h3g h ILE 118 CO -0.03 0.14 0.34 -0.74 0.00 0.00 0.00 178.15 177.87 2h3g h HIS 119 N 0.22 1.06 0.00 1.37 2.76 -1.19 -1.01 115.15 118.36 2h3g h HIS 119 Ca 0.07 -0.06 -0.17 0.00 -2.20 0.00 0.00 60.37 58.01 2h3g h HIS 119 Cb 0.13 -0.33 -0.03 0.00 1.55 0.00 0.00 27.41 28.74 2h3g h HIS 119 CO -0.02 0.79 -1.35 -0.07 -1.30 0.00 0.00 177.93 175.97 2h3g h LEU 120 N 1.02 0.00 0.00 0.26 3.38 -0.51 -3.42 115.31 116.05 2h3g h LEU 120 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2h3g h LEU 120 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2h3g h LEU 120 CO -0.03 0.62 -0.15 -1.22 0.09 0.00 0.00 178.44 177.75 2h3g n TYR 121 N -2.94 0.00 -1.21 1.13 4.01 0.12 -5.06 117.16 113.21 2h3g n TYR 121 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 2h3g n TYR 121 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.88 2h3g n TYR 121 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2h3g n GLY 122 N 0.74 -1.05 3.41 2.72 0.00 -0.38 -4.97 105.19 105.65 2h3g n GLY 122 Ca 0.00 -1.71 -0.15 0.00 0.00 0.00 0.00 46.02 44.16 2h3g n GLY 122 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2h3g s SER 123 N -4.00 -0.47 0.77 1.61 1.04 -1.26 -4.14 113.70 107.24 2h3g s SER 123 Ca 0.00 0.33 -0.11 0.00 0.48 0.00 0.00 55.95 56.65 2h3g s SER 123 Cb 0.00 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.65 2h3g s SER 123 CO 0.00 -0.64 1.08 -2.16 0.98 0.00 0.00 173.24 172.50 2h3g s PRO 124 N -1.87 2.34 0.01 4.02 0.04 -1.26 -4.85 135.00 133.45 2h3g s PRO 124 Ca -0.08 0.90 -0.02 0.00 0.04 0.00 0.00 61.00 61.84 2h3g s PRO 124 Cb -0.01 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 2h3g s PRO 124 CO 0.03 -1.51 0.02 -0.51 0.04 0.00 0.00 177.00 175.07 2h3g s LEU 125 N -5.78 2.03 -0.17 -3.56 1.43 0.03 -3.20 118.68 109.46 2h3g s LEU 125 Ca 0.60 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 53.30 2h3g s LEU 125 Cb -0.15 0.26 -0.01 0.00 0.03 0.00 0.00 46.19 46.31 2h3g s LEU 125 CO 0.55 -0.30 -0.09 -0.63 0.23 0.00 0.00 176.35 176.12 2h3g s ILE 126 N -1.34 3.27 -0.17 -0.59 1.01 -0.52 -1.06 121.20 121.82 2h3g s ILE 126 Ca -0.15 -0.56 -0.00 0.00 0.00 0.00 0.00 60.65 59.94 2h3g s ILE 126 Cb -0.09 -2.43 -0.00 0.00 0.01 0.00 0.00 42.46 39.96 2h3g s ILE 126 CO -0.00 0.49 -0.14 -0.63 0.00 0.00 0.00 174.94 174.65 2h3g s ILE 127 N 0.76 2.73 -0.19 2.92 1.01 -0.16 -0.63 121.20 127.64 2h3g s ILE 127 Ca -0.04 -0.74 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 2h3g s ILE 127 Cb -0.15 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 2h3g s ILE 127 CO 0.02 0.50 -0.06 -0.69 0.00 0.00 0.00 174.94 174.70 2h3g s VAL 128 N 0.96 3.34 -0.24 2.92 1.01 0.81 -0.62 120.40 128.57 2h3g s VAL 128 Ca -0.02 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.45 2h3g s VAL 128 Cb -0.15 -2.48 0.06 0.00 0.00 0.00 0.00 36.38 33.80 2h3g s VAL 128 CO -0.02 0.46 -0.10 -0.62 0.00 0.00 0.00 175.10 174.82 2h3g s ASP 129 N 1.09 4.13 -0.90 3.32 -1.08 0.06 -0.41 116.67 122.88 2h3g s ASP 129 Ca 0.01 -1.26 -0.20 0.00 -0.52 0.00 0.00 52.55 50.59 2h3g s ASP 129 Cb -0.15 -1.42 0.11 0.00 -1.46 0.00 0.00 42.92 40.01 2h3g s ASP 129 CO -0.01 -0.19 1.14 -0.36 0.52 0.00 0.00 175.17 176.27 2h3g s PHE 130 N 1.21 2.99 0.00 -5.34 0.40 -0.54 -1.70 117.98 115.01 2h3g s PHE 130 Ca -0.07 -1.21 0.00 0.00 -0.60 0.00 0.00 56.93 55.05 2h3g s PHE 130 Cb -0.19 -4.33 0.00 0.00 0.51 0.00 0.00 43.02 39.01 2h3g s PHE 130 CO -0.06 -1.56 0.00 0.41 0.70 0.00 0.00 175.22 174.71 2h3g n GLY 131 N 5.63 5.30 0.20 4.36 0.00 -1.26 -3.99 105.19 115.43 2h3g n GLY 131 Ca 0.21 -1.46 -0.03 0.00 0.00 0.00 0.00 46.02 44.74 2h3g n GLY 131 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2h3g h THR 132 N 0.00 0.59 -2.26 2.61 2.02 -1.97 -3.39 112.91 110.52 2h3g h THR 132 Ca 0.00 -0.03 -0.51 0.00 0.77 0.00 0.00 66.41 66.64 2h3g h THR 132 Cb 0.00 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 2h3g h THR 132 CO 0.00 0.02 -0.51 0.00 0.37 0.00 0.00 175.52 175.39 2h3g s ALA 133 N -6.18 3.64 -0.26 6.16 0.00 -1.26 -2.33 121.76 121.53 2h3g s ALA 133 Ca -0.14 -1.36 -0.11 0.00 0.00 0.00 0.00 51.96 50.35 2h3g s ALA 133 Cb 0.16 -1.38 -0.05 0.00 0.00 0.00 0.00 23.12 21.85 2h3g s ALA 133 CO 0.72 0.28 0.19 0.99 0.00 0.00 0.00 175.76 177.95 2h3g s THR 134 N -2.06 5.32 0.12 0.00 2.01 0.11 -4.55 115.64 116.59 2h3g s THR 134 Ca 0.33 0.21 0.07 0.00 0.31 0.00 0.00 61.69 62.61 2h3g s THR 134 Cb -0.08 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 2h3g s THR 134 CO 0.25 0.28 -0.08 0.42 -0.69 0.00 0.00 174.62 174.80 2h3g s THR 135 N 1.53 3.41 -0.18 -0.82 -4.23 -0.69 -0.60 115.64 114.06 2h3g s THR 135 Ca 0.08 -1.34 -0.01 0.00 -1.18 0.00 0.00 61.69 59.24 2h3g s THR 135 Cb -0.15 -2.63 0.05 0.00 1.34 0.00 0.00 72.50 71.11 2h3g s THR 135 CO 0.09 0.05 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.87 2h3g s TYR 136 N -1.36 1.68 0.00 3.99 1.51 -0.09 -0.76 117.35 122.32 2h3g s TYR 136 Ca 0.23 -1.16 -0.00 0.00 -1.01 0.00 0.00 57.07 55.13 2h3g s TYR 136 Cb -0.11 -1.30 -0.04 0.00 -0.11 0.00 0.00 41.96 40.41 2h3g s TYR 136 CO 0.15 -0.64 0.09 0.00 -1.11 0.00 0.00 175.55 174.04 2h3g s TYR 138 N -1.23 2.77 -0.21 0.00 5.04 0.10 -0.99 117.35 122.82 2h3g s TYR 138 Ca 0.24 -1.52 -0.06 0.00 -2.44 0.00 0.00 57.07 53.29 2h3g s TYR 138 Cb -0.12 -1.91 -0.03 0.00 0.35 0.00 0.00 41.96 40.26 2h3g s TYR 138 CO 0.15 -0.74 0.03 0.42 -1.34 0.00 0.00 175.55 174.08 2h3g s ILE 139 N 1.17 4.16 1.08 3.14 1.09 -0.22 -0.97 121.20 130.66 2h3g s ILE 139 Ca 0.02 -0.24 -0.18 0.00 -1.10 0.00 0.00 60.65 59.15 2h3g s ILE 139 Cb -0.14 -2.90 0.26 0.00 -1.06 0.00 0.00 42.46 38.62 2h3g s ILE 139 CO -0.09 0.40 1.27 -0.46 -0.10 0.00 0.00 174.94 175.96 2h3g n ASN 140 N 4.39 -0.68 0.00 3.58 6.94 0.06 -0.79 115.26 128.76 2h3g n ASN 140 Ca -0.17 -1.38 0.10 0.00 -0.02 0.00 0.00 54.58 53.12 2h3g n ASN 140 Cb 0.52 -1.03 0.50 0.00 -2.36 0.00 0.00 39.78 37.41 2h3g n ASN 140 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 2h3g n GLU 141 N -4.23 0.17 -0.50 -3.83 0.00 -1.26 -0.62 120.64 110.37 2h3g n GLU 141 Ca 0.16 0.11 0.11 0.00 0.00 0.00 0.00 57.16 57.54 2h3g n GLU 141 Cb 0.59 -1.50 0.35 0.00 0.00 0.00 0.00 31.44 30.88 2h3g n GLU 141 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2h3g n GLU 142 N -1.38 3.23 -1.97 3.44 1.02 -1.26 -4.72 120.64 119.00 2h3g n GLU 142 Ca 0.08 -2.79 -0.09 0.00 -0.02 0.00 0.00 57.16 54.33 2h3g n GLU 142 Cb 0.20 -1.73 -0.01 0.00 -0.02 0.00 0.00 31.44 29.88 2h3g n GLU 142 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2h3g n LYS 143 N 1.43 -0.74 -3.50 3.49 5.02 0.20 -5.01 118.16 119.07 2h3g n LYS 143 Ca 0.25 0.55 -0.38 0.00 -2.02 0.00 0.00 58.31 56.72 2h3g n LYS 143 Cb 0.76 -4.55 -0.06 0.00 -0.02 0.00 0.00 35.03 31.16 2h3g n LYS 143 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2h3g s HIS 144 N -2.45 3.64 -0.41 2.13 3.76 -1.25 -4.40 115.29 116.32 2h3g s HIS 144 Ca 0.00 0.89 -0.27 0.00 -0.15 0.00 0.00 55.06 55.53 2h3g s HIS 144 Cb 0.00 -2.32 0.02 0.00 1.11 0.00 0.00 32.58 31.39 2h3g s HIS 144 CO 0.00 0.50 0.99 -0.47 -0.85 0.00 0.00 174.74 174.92 2h3g s TYR 145 N -0.53 2.99 -0.13 1.40 5.04 0.94 -0.76 117.35 126.30 2h3g s TYR 145 Ca 0.22 0.73 0.21 0.00 -2.44 0.00 0.00 57.07 55.79 2h3g s TYR 145 Cb -0.16 -3.91 -0.17 0.00 0.35 0.00 0.00 41.96 38.08 2h3g s TYR 145 CO 0.11 -0.98 0.72 -1.33 -1.34 0.00 0.00 175.55 172.72 2h3g n MET 146 N 7.12 0.64 0.00 4.97 2.81 -0.14 -0.33 117.12 132.18 2h3g n MET 146 Ca 0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 2h3g n MET 146 Cb 0.48 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 2h3g n MET 146 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2h3g n GLY 147 N 1.29 0.44 0.00 3.03 0.00 -1.25 -3.71 105.19 104.99 2h3g n GLY 147 Ca -0.06 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.90 2h3g n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h3g n GLY 148 N 0.00 -0.61 3.05 -0.02 0.00 -1.26 0.00 105.19 106.36 2h3g n GLY 148 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 2h3g n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h3g s VAL 149 N -2.73 0.01 -0.06 1.61 1.01 0.68 -4.98 120.40 115.94 2h3g s VAL 149 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 61.93 2h3g s VAL 149 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.12 2h3g s VAL 149 CO 0.00 -0.05 -0.16 -0.63 0.00 0.00 0.00 175.10 174.27 2h3g s ILE 150 N -0.09 1.38 0.19 2.22 1.01 -1.26 -0.91 121.20 123.74 2h3g s ILE 150 Ca -0.02 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.02 2h3g s ILE 150 Cb -0.02 -1.22 -0.05 0.00 0.01 0.00 0.00 42.46 41.19 2h3g s ILE 150 CO 0.00 0.41 -0.05 0.42 0.00 0.00 0.00 174.94 175.72 2h3g s THR 151 N 0.34 1.11 0.35 2.92 -4.23 0.23 -5.01 115.64 111.35 2h3g s THR 151 Ca -0.10 -2.05 -0.28 0.00 -1.18 0.00 0.00 61.69 58.08 2h3g s THR 151 Cb -0.14 -2.09 -0.12 0.00 1.34 0.00 0.00 72.50 71.49 2h3g s THR 151 CO 0.04 -0.54 1.33 -2.65 -0.54 0.00 0.00 174.62 172.26 2h3g n PRO 152 N -0.31 2.24 -1.50 3.99 -0.02 -1.26 -0.71 135.00 137.44 2h3g n PRO 152 Ca -0.08 0.79 -0.31 0.00 -2.02 0.00 0.00 63.50 61.88 2h3g n PRO 152 Cb 0.62 -2.40 0.06 0.00 -0.02 0.00 0.00 33.50 31.76 2h3g n PRO 152 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2h3g s GLY 153 N -0.28 1.67 0.14 -1.23 0.00 -0.98 -4.16 107.32 102.48 2h3g s GLY 153 Ca 0.55 0.12 -0.23 0.00 0.00 0.00 0.00 44.72 45.16 2h3g s GLY 153 CO 0.62 0.44 1.64 -2.22 0.00 0.00 0.00 173.10 173.59 2h3g h ILE 154 N -0.82 0.46 -0.59 0.90 2.04 -1.84 -0.68 117.51 116.98 2h3g h ILE 154 Ca -0.44 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 2h3g h ILE 154 Cb 1.22 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 2h3g h ILE 154 CO 0.56 0.00 0.17 0.24 0.00 0.00 0.00 178.15 179.12 2h3g h MET 155 N -0.26 0.92 -0.38 2.37 2.86 -1.91 0.12 114.93 118.65 2h3g h MET 155 Ca 0.11 -0.20 -0.08 0.00 -2.06 0.00 0.00 59.70 57.46 2h3g h MET 155 Cb 0.42 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 2h3g h MET 155 CO -0.31 0.83 -0.10 0.82 1.06 0.00 0.00 176.91 179.22 2h3g h ILE 156 N 0.83 1.24 -0.11 -1.22 2.04 -1.77 0.50 117.51 119.03 2h3g h ILE 156 Ca 0.19 -1.08 -0.23 0.00 1.00 0.00 0.00 64.86 64.74 2h3g h ILE 156 Cb 0.30 1.06 0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2h3g h ILE 156 CO -0.00 0.36 -0.84 0.77 0.00 0.00 0.00 178.15 178.44 2h3g h SER 157 N 0.61 0.92 0.08 1.72 4.64 -0.99 -2.80 113.55 117.73 2h3g h SER 157 Ca 0.11 -0.66 -0.06 0.00 -0.47 0.00 0.00 61.79 60.71 2h3g h SER 157 Cb 0.52 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2h3g h SER 157 CO 0.03 1.44 -0.18 0.00 -0.87 0.00 0.00 176.83 177.25 2h3g h ALA 158 N 0.50 1.47 -0.01 5.18 0.00 -0.66 -2.96 119.26 122.78 2h3g h ALA 158 Ca -0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2h3g h ALA 158 Cb 1.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2h3g h ALA 158 CO 0.17 0.38 -0.01 0.93 0.00 0.00 0.00 179.25 180.72 2h3g h GLU 159 N 0.19 0.02 -0.02 0.00 5.08 -0.96 -1.23 114.58 117.66 2h3g h GLU 159 Ca 0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2h3g h GLU 159 Cb 0.44 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2h3g h GLU 159 CO 0.03 0.57 0.30 0.00 -1.00 0.00 0.00 179.01 178.91 2h3g h ALA 160 N 0.45 1.33 0.00 3.43 0.00 -1.40 -1.14 119.26 121.92 2h3g h ALA 160 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2h3g h ALA 160 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2h3g h ALA 160 CO 0.00 -0.31 -0.21 -0.11 0.00 0.00 0.00 179.25 178.62 2h3g n LEU 161 N -2.95 0.67 0.09 0.00 7.94 -1.13 -4.47 117.00 117.15 2h3g n LEU 161 Ca -0.02 0.35 0.05 0.00 -1.11 0.00 0.00 56.01 55.29 2h3g n LEU 161 Cb 0.36 -0.63 0.27 0.00 0.53 0.00 0.00 43.42 43.95 2h3g n LEU 161 CO 0.15 -0.48 0.67 -1.22 -1.11 0.00 0.00 177.39 175.40 2h3g n TYR 162 N -3.13 0.34 -0.66 1.96 4.01 -0.47 -5.12 117.16 114.08 2h3g n TYR 162 Ca -0.03 0.18 -0.42 0.00 -0.16 0.00 0.00 57.90 57.46 2h3g n TYR 162 Cb 0.11 -0.70 -0.10 0.00 -0.31 0.00 0.00 39.34 38.34 2h3g n TYR 162 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2h3g n SER 163 N -1.83 1.44 0.00 7.72 3.41 -0.44 -5.07 113.62 118.84 2h3g n SER 163 Ca -0.01 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.08 2h3g n SER 163 Cb 0.12 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 2h3g n SER 163 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2h3g n ILE 171 N 6.59 0.00 -4.05 -1.33 5.41 -1.26 -5.09 119.36 119.63 2h3g n ILE 171 Ca 0.46 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.86 2h3g n ILE 171 Cb 0.39 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.19 2h3g n ILE 171 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2h3g s GLU 172 N 0.00 3.53 -1.05 0.38 2.12 -1.26 -5.04 118.70 117.38 2h3g s GLU 172 Ca 0.00 -0.56 -0.23 0.00 0.36 0.00 0.00 54.97 54.54 2h3g s GLU 172 Cb 0.00 -3.05 -0.00 0.00 0.26 0.00 0.00 34.13 31.34 2h3g s GLU 172 CO 0.00 -0.05 1.75 0.42 -0.54 0.00 0.00 175.26 176.84 2h3g s ILE 173 N 1.14 3.72 0.00 -3.70 -1.09 -1.26 -4.95 121.20 115.07 2h3g s ILE 173 Ca 0.02 -0.83 -0.04 0.00 -2.23 0.00 0.00 60.65 57.57 2h3g s ILE 173 Cb -0.14 -4.63 -0.04 0.00 -1.58 0.00 0.00 42.46 36.06 2h3g s ILE 173 CO 0.01 -1.45 0.21 -0.89 -1.23 0.00 0.00 174.94 171.59 2h3g s THR 174 N 7.67 5.39 -0.20 2.92 2.01 -1.26 -5.06 115.64 127.11 2h3g s THR 174 Ca 0.59 -0.08 -0.29 0.00 0.31 0.00 0.00 61.69 62.22 2h3g s THR 174 Cb -0.02 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 68.93 2h3g s THR 174 CO -0.00 0.32 1.28 -0.75 -0.69 0.00 0.00 174.62 174.78 2h3g s LYS 175 N -1.95 4.15 0.77 4.92 2.20 -1.26 -4.67 119.74 123.90 2h3g s LYS 175 Ca 0.28 1.57 -0.12 0.00 -0.36 0.00 0.00 55.97 57.35 2h3g s LYS 175 Cb -0.13 -3.80 0.05 0.00 -1.51 0.00 0.00 37.83 32.45 2h3g s LYS 175 CO 0.19 -0.82 1.12 -1.25 -0.36 0.00 0.00 175.35 174.23 2h3g s PRO 176 N 3.68 2.32 0.51 4.03 0.04 -1.26 -4.97 135.00 139.36 2h3g s PRO 176 Ca 0.56 0.39 0.30 0.00 0.04 0.00 0.00 61.00 62.28 2h3g s PRO 176 Cb -0.21 -1.97 1.12 0.00 0.04 0.00 0.00 34.50 33.49 2h3g s PRO 176 CO 0.17 -1.40 1.90 0.66 0.04 0.00 0.00 177.00 178.37 2h3g h SER 177 N -0.92 0.00 -5.07 6.66 4.64 -1.96 -3.44 113.55 113.46 2h3g h SER 177 Ca -0.46 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.74 2h3g h SER 177 Cb 1.28 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.20 2h3g h SER 177 CO 0.63 0.07 -0.44 -0.94 -0.87 0.00 0.00 176.83 175.28 2h3g s SER 178 N -5.90 0.08 0.09 4.97 1.04 -1.26 -5.06 113.70 107.67 2h3g s SER 178 Ca 0.02 -0.42 -0.28 0.00 0.48 0.00 0.00 55.95 55.75 2h3g s SER 178 Cb 0.09 0.27 -0.13 0.00 0.10 0.00 0.00 66.02 66.35 2h3g s SER 178 CO 0.58 -0.54 1.66 0.58 0.98 0.00 0.00 173.24 176.51 2h3g h VAL 179 N 3.55 0.52 -2.75 5.02 2.07 -1.95 -3.38 116.25 119.34 2h3g h VAL 179 Ca -0.32 0.00 -0.54 0.00 0.82 0.00 0.00 66.70 66.65 2h3g h VAL 179 Cb 1.19 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 2h3g h VAL 179 CO 0.49 0.00 1.13 -0.69 0.02 0.00 0.00 177.57 178.51 2h3g s VAL 180 N -6.09 3.74 -0.06 2.57 1.01 -1.26 -4.76 120.40 115.55 2h3g s VAL 180 Ca -0.16 0.63 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 2h3g s VAL 180 Cb 0.06 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 2h3g s VAL 180 CO 0.64 -1.12 1.45 -0.83 0.00 0.00 0.00 175.10 175.24 2h3g s GLY 181 N 4.76 1.70 0.00 4.51 0.00 -1.26 -4.88 107.32 112.15 2h3g s GLY 181 Ca 0.55 0.79 0.22 0.00 0.00 0.00 0.00 44.72 46.27 2h3g s GLY 181 CO 0.25 2.68 1.69 0.28 0.00 0.00 0.00 173.10 177.99 2h3g n LYS 182 N 6.25 0.55 -3.45 2.90 5.02 -1.26 -4.58 118.16 123.58 2h3g n LYS 182 Ca 0.15 0.03 -0.13 0.00 -2.02 0.00 0.00 58.31 56.34 2h3g n LYS 182 Cb 0.44 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.92 2h3g n LYS 182 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2h3g s ASN 183 N -2.20 -0.57 0.15 4.39 2.20 -1.26 -5.07 114.94 112.57 2h3g s ASN 183 Ca 0.29 0.18 -0.24 0.00 -0.94 0.00 0.00 52.86 52.14 2h3g s ASN 183 Cb 0.15 0.56 0.02 0.00 -2.00 0.00 0.00 41.25 39.98 2h3g s ASN 183 CO 0.28 -0.85 1.61 0.74 -2.94 0.00 0.00 177.10 175.94 2h3g h THR 184 N 2.25 0.27 -0.41 0.54 2.02 -2.00 -0.16 112.91 115.43 2h3g h THR 184 Ca -0.31 0.00 0.07 0.00 0.77 0.00 0.00 66.41 66.94 2h3g h THR 184 Cb 1.26 0.27 -0.06 0.00 -1.74 0.00 0.00 68.15 67.88 2h3g h THR 184 CO 0.38 0.00 0.01 0.58 0.37 0.00 0.00 175.52 176.86 2h3g h VAL 185 N -0.32 0.70 -0.85 3.16 2.07 -1.99 -0.94 116.25 118.08 2h3g h VAL 185 Ca 0.13 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.67 2h3g h VAL 185 Cb 0.53 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 2h3g h VAL 185 CO -0.43 0.02 0.53 0.28 0.02 0.00 0.00 177.57 177.99 2h3g h SER 186 N 0.12 0.83 -0.68 0.57 0.02 -1.75 -0.82 113.55 111.83 2h3g h SER 186 Ca 0.20 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 2h3g h SER 186 Cb 0.28 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 2h3g h SER 186 CO -0.32 0.53 0.31 0.00 -1.14 0.00 0.00 176.83 176.21 2h3g h ALA 187 N 1.40 0.88 -0.23 3.77 0.00 -0.46 -1.84 119.26 122.78 2h3g h ALA 187 Ca 0.37 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 2h3g h ALA 187 Cb 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2h3g h ALA 187 CO -0.17 0.46 -0.48 0.52 0.00 0.00 0.00 179.25 179.59 2h3g h MET 188 N 0.95 0.61 0.26 0.00 2.86 -0.88 -1.83 114.93 116.90 2h3g h MET 188 Ca 0.23 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 2h3g h MET 188 Cb 0.15 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.84 2h3g h MET 188 CO -0.03 0.95 -0.12 1.96 1.06 0.00 0.00 176.91 180.73 2h3g h GLN 189 N 0.48 -0.33 -0.61 1.72 4.20 -1.06 -1.68 115.11 117.83 2h3g h GLN 189 Ca 0.03 0.02 0.13 0.00 0.06 0.00 0.00 58.65 58.88 2h3g h GLN 189 Cb 1.01 0.08 -0.11 0.00 0.30 0.00 0.00 27.48 28.75 2h3g h GLN 189 CO 0.09 -0.14 -0.10 1.03 -0.67 0.00 0.00 178.83 179.04 2h3g h SER 190 N -0.46 -0.47 -0.15 1.46 0.87 -1.39 -1.46 113.55 111.96 2h3g h SER 190 Ca -0.04 0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2h3g h SER 190 Cb 0.35 0.34 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 2h3g h SER 190 CO 0.06 -0.18 0.08 1.23 -0.53 0.00 0.00 176.83 177.49 2h3g h GLY 191 N 0.04 0.22 0.65 5.77 0.00 -0.99 0.11 103.07 108.86 2h3g h GLY 191 Ca 0.31 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 2h3g h GLY 191 CO -0.60 0.10 -0.03 -2.22 0.00 0.00 0.00 176.54 173.79 2h3g h ILE 192 N 0.14 1.16 0.42 2.60 1.08 -1.20 -0.19 117.51 121.53 2h3g h ILE 192 Ca 0.05 -0.79 -0.02 0.00 -0.39 0.00 0.00 64.86 63.71 2h3g h ILE 192 Cb 0.07 1.68 0.00 0.00 -3.07 0.00 0.00 36.82 35.51 2h3g h ILE 192 CO -0.01 0.20 -0.20 0.25 -0.69 0.00 0.00 178.15 177.70 2h3g h LEU 193 N -0.44 -0.48 -1.04 1.44 5.85 -1.16 -1.80 115.31 117.70 2h3g h LEU 193 Ca -0.01 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 2h3g h LEU 193 Cb 0.38 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2h3g h LEU 193 CO 0.01 -0.25 -0.46 1.88 -0.34 0.00 0.00 178.44 179.28 2h3g h TYR 194 N -0.75 0.05 -0.77 1.25 0.05 -0.92 -1.35 116.97 114.54 2h3g h TYR 194 Ca -0.06 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 2h3g h TYR 194 Cb 0.43 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.12 2h3g h TYR 194 CO 0.06 0.50 0.45 0.78 -1.05 0.00 0.00 178.16 178.90 2h3g h GLY 195 N 1.38 1.13 0.73 3.88 0.00 -1.06 -0.73 103.07 108.39 2h3g h GLY 195 Ca -0.00 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 2h3g h GLY 195 CO 0.06 0.47 -0.19 -1.82 0.00 0.00 0.00 176.54 175.06 2h3g h TYR 196 N 1.06 0.45 -0.57 5.60 3.20 -0.41 0.05 116.97 126.33 2h3g h TYR 196 Ca 0.27 -0.15 0.10 0.00 3.14 0.00 0.00 58.73 62.10 2h3g h TYR 196 Cb -0.01 -0.09 -0.08 0.00 1.54 0.00 0.00 36.73 38.09 2h3g h TYR 196 CO -0.00 0.80 0.14 0.28 -1.64 0.00 0.00 178.16 177.74 2h3g h VAL 197 N -0.04 0.69 -0.65 1.81 2.07 -1.29 0.11 116.25 118.95 2h3g h VAL 197 Ca 0.01 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 2h3g h VAL 197 Cb 0.75 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2h3g h VAL 197 CO 0.04 0.05 0.14 1.23 0.02 0.00 0.00 177.57 179.06 2h3g h GLY 198 N 0.28 1.13 0.62 2.17 0.00 -0.84 0.12 103.07 106.55 2h3g h GLY 198 Ca 0.29 -0.72 0.02 0.00 0.00 0.00 0.00 47.33 46.92 2h3g h GLY 198 CO -0.36 0.67 -0.19 -1.61 0.00 0.00 0.00 176.54 175.05 2h3g h GLN 199 N 0.97 -0.33 0.11 4.80 4.15 -0.13 -0.47 115.11 124.22 2h3g h GLN 199 Ca 0.20 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.64 2h3g h GLN 199 Cb 0.39 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.15 2h3g h GLN 199 CO 0.01 -0.22 -0.05 0.28 -1.93 0.00 0.00 178.83 176.91 2h3g h VAL 200 N -0.34 0.90 -0.90 2.39 2.07 -0.57 -1.28 116.25 118.51 2h3g h VAL 200 Ca 0.04 -0.02 0.12 0.00 0.82 0.00 0.00 66.70 67.66 2h3g h VAL 200 Cb 0.38 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 30.98 2h3g h VAL 200 CO -0.14 0.01 0.53 -0.33 0.02 0.00 0.00 177.57 177.66 2h3g h GLU 201 N -0.16 0.81 -0.07 1.57 5.08 -0.69 -1.24 114.58 119.88 2h3g h GLU 201 Ca -0.02 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 2h3g h GLU 201 Cb 0.12 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2h3g h GLU 201 CO 0.02 0.53 -0.24 0.78 -1.00 0.00 0.00 179.01 179.11 2h3g h GLY 202 N 0.83 0.32 0.90 -3.84 0.00 -0.84 -1.54 103.07 98.90 2h3g h GLY 202 Ca 0.46 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 2h3g h GLY 202 CO -0.29 0.37 0.09 -2.22 0.00 0.00 0.00 176.54 174.50 2h3g h ILE 203 N -0.20 1.16 -0.59 2.60 2.04 -1.15 -2.31 117.51 119.06 2h3g h ILE 203 Ca -0.01 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 2h3g h ILE 203 Cb 0.86 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 2h3g h ILE 203 CO 0.05 0.16 0.32 0.58 0.00 0.00 0.00 178.15 179.25 2h3g h VAL 204 N 0.21 1.20 -0.92 1.67 2.07 -1.24 -0.94 116.25 118.30 2h3g h VAL 204 Ca 0.08 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2h3g h VAL 204 Cb 0.16 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 2h3g h VAL 204 CO -0.01 0.21 0.53 0.11 0.02 0.00 0.00 177.57 178.43 2h3g h LYS 205 N 0.80 1.27 -0.64 1.57 1.57 -1.20 -0.95 116.57 118.98 2h3g h LYS 205 Ca 0.21 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 2h3g h LYS 205 Cb 0.06 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 2h3g h LYS 205 CO -0.03 0.91 0.05 0.00 -0.57 0.00 0.00 179.45 179.81 2h3g h ARG 206 N 1.28 1.10 -0.41 3.15 3.08 -1.06 -1.53 114.38 119.99 2h3g h ARG 206 Ca 0.33 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2h3g h ARG 206 Cb -0.01 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2h3g h ARG 206 CO -0.06 1.04 0.07 0.52 -1.07 0.00 0.00 179.97 180.48 2h3g h MET 207 N 1.02 0.68 -0.63 0.04 2.86 -0.84 -2.50 114.93 115.55 2h3g h MET 207 Ca 0.19 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2h3g h MET 207 Cb 0.51 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 2h3g h MET 207 CO 0.02 0.72 0.41 0.87 1.06 0.00 0.00 176.91 179.99 2h3g h LYS 208 N 0.53 0.84 -0.92 1.72 1.57 -1.11 -2.37 116.57 116.82 2h3g h LYS 208 Ca 0.13 -0.06 0.19 0.00 -1.87 0.00 0.00 60.65 59.04 2h3g h LYS 208 Cb 0.36 -0.19 -0.11 0.00 0.08 0.00 0.00 32.23 32.38 2h3g h LYS 208 CO 0.01 0.56 0.48 0.93 -0.57 0.00 0.00 179.45 180.86 2h3g h GLU 209 N 0.86 0.56 0.00 3.15 5.08 -1.14 -0.84 114.58 122.25 2h3g h GLU 209 Ca 0.23 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2h3g h GLU 209 Cb -0.09 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.04 2h3g h GLU 209 CO -0.05 0.37 0.00 0.39 -1.00 0.00 0.00 179.01 178.72 2h3g n GLU 210 N -4.91 0.09 -2.93 2.33 1.02 -0.92 -4.87 120.64 110.45 2h3g n GLU 210 Ca 0.21 0.17 -0.40 0.00 -0.02 0.00 0.00 57.16 57.12 2h3g n GLU 210 Cb 0.57 -1.63 -0.06 0.00 -0.02 0.00 0.00 31.44 30.31 2h3g n GLU 210 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2h3g s ALA 211 N -3.07 3.39 0.02 0.62 0.00 -0.32 -5.00 121.76 117.40 2h3g s ALA 211 Ca 0.10 0.40 -0.26 0.00 0.00 0.00 0.00 51.96 52.20 2h3g s ALA 211 Cb 0.14 -3.03 -0.17 0.00 0.00 0.00 0.00 23.12 20.06 2h3g s ALA 211 CO 0.47 0.19 1.33 -0.22 0.00 0.00 0.00 175.76 177.53 2h3g h LYS 212 N 4.79 -0.46 -6.08 0.00 3.64 -1.89 -3.43 116.57 113.14 2h3g h LYS 212 Ca -0.46 0.03 -0.59 0.00 -1.27 0.00 0.00 60.65 58.37 2h3g h LYS 212 Cb 1.21 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 33.08 2h3g h LYS 212 CO 0.68 -0.17 -0.53 -1.14 -2.27 0.00 0.00 179.45 176.03 2h3g s GLN 213 N -4.99 3.19 -0.36 1.90 0.74 -1.26 -5.08 119.66 113.81 2h3g s GLN 213 Ca -0.15 -0.64 -0.29 0.00 0.05 0.00 0.00 55.36 54.33 2h3g s GLN 213 Cb 0.03 -2.86 0.01 0.00 1.10 0.00 0.00 33.01 31.29 2h3g s GLN 213 CO 0.56 0.54 1.25 -2.00 -0.55 0.00 0.00 175.29 175.10 2h3g s GLU 214 N -2.85 3.84 0.29 1.67 2.12 -1.26 -4.88 118.70 117.64 2h3g s GLU 214 Ca 0.33 1.04 -0.22 0.00 0.36 0.00 0.00 54.97 56.48 2h3g s GLU 214 Cb -0.12 -3.89 -0.09 0.00 0.26 0.00 0.00 34.13 30.30 2h3g s GLU 214 CO 0.26 -1.21 0.84 -1.25 -0.54 0.00 0.00 175.26 173.35 2h3g s PRO 215 N 4.27 4.36 0.41 4.30 0.04 -1.26 -4.83 135.00 142.29 2h3g s PRO 215 Ca 0.54 1.06 -0.26 0.00 0.04 0.00 0.00 61.00 62.38 2h3g s PRO 215 Cb -0.14 -2.73 -0.08 0.00 0.04 0.00 0.00 34.50 31.59 2h3g s PRO 215 CO 0.25 0.28 1.27 0.21 0.04 0.00 0.00 177.00 179.05 2h3g s LYS 216 N -2.23 3.95 -0.25 4.56 2.20 -1.19 -4.77 119.74 122.01 2h3g s LYS 216 Ca 0.49 2.08 -0.05 0.00 -0.36 0.00 0.00 55.97 58.13 2h3g s LYS 216 Cb -0.16 -2.72 -0.01 0.00 -1.51 0.00 0.00 37.83 33.43 2h3g s LYS 216 CO 0.21 -0.48 0.01 0.08 -0.36 0.00 0.00 175.35 174.81 2h3g s VAL 217 N -1.30 3.72 0.06 4.02 1.01 -1.26 -1.44 120.40 125.21 2h3g s VAL 217 Ca 0.57 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 62.14 2h3g s VAL 217 Cb -0.36 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 2h3g s VAL 217 CO 0.46 0.32 -0.15 0.27 0.00 0.00 0.00 175.10 176.00 2h3g s ILE 218 N 1.51 3.05 0.09 2.22 -4.36 0.20 -0.73 121.20 123.18 2h3g s ILE 218 Ca 0.05 -1.18 0.05 0.00 -0.26 0.00 0.00 60.65 59.31 2h3g s ILE 218 Cb -0.15 -2.34 -0.03 0.00 1.25 0.00 0.00 42.46 41.19 2h3g s ILE 218 CO -0.00 0.27 -0.13 0.00 0.24 0.00 0.00 174.94 175.31 2h3g s ALA 219 N -1.02 1.24 0.35 2.27 0.00 -0.16 -0.13 121.76 124.30 2h3g s ALA 219 Ca 0.17 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 51.02 2h3g s ALA 219 Cb -0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 23.12 22.95 2h3g s ALA 219 CO 0.08 0.10 0.45 -2.37 0.00 0.00 0.00 175.76 174.02 2h3g n THR 220 N 0.92 0.00 0.00 0.00 5.66 0.45 -0.91 114.28 120.40 2h3g n THR 220 Ca -0.19 -1.98 0.00 0.00 -3.05 0.00 0.00 64.05 58.83 2h3g n THR 220 Cb 0.56 1.15 0.00 0.00 -1.55 0.00 0.00 70.33 70.49 2h3g n THR 220 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2h3g n GLY 221 N -0.60 2.32 0.34 1.09 0.00 -1.26 -1.47 105.19 105.60 2h3g n GLY 221 Ca 0.02 -1.77 0.20 0.00 0.00 0.00 0.00 46.02 44.48 2h3g n GLY 221 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2h3g h GLY 222 N 0.00 1.97 -2.44 -0.02 0.00 -1.94 -2.11 103.07 98.53 2h3g h GLY 222 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2h3g h GLY 222 CO 0.00 -0.37 0.00 1.04 0.00 0.00 0.00 176.54 177.21 2h3g n LEU 223 N -4.98 3.63 -0.32 3.11 4.77 -1.26 -4.38 117.00 117.57 2h3g n LEU 223 Ca 0.29 -1.66 0.14 0.00 -0.03 0.00 0.00 56.01 54.75 2h3g n LEU 223 Cb 0.86 -0.33 0.37 0.00 -2.33 0.00 0.00 43.42 41.99 2h3g n LEU 223 CO 0.13 0.82 1.21 0.00 -1.33 0.00 0.00 177.39 178.22 2h3g h ALA 224 N 4.42 1.82 -0.45 -1.18 0.00 -1.60 -2.32 119.26 119.95 2h3g h ALA 224 Ca 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2h3g h ALA 224 Cb 0.99 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2h3g h ALA 224 CO 0.00 -0.16 0.07 -0.22 0.00 0.00 0.00 179.25 178.94 2h3g h LYS 225 N 0.68 0.74 -0.36 0.00 3.64 -1.80 -0.51 116.57 118.97 2h3g h LYS 225 Ca 0.54 -0.20 0.05 0.00 -1.27 0.00 0.00 60.65 59.77 2h3g h LYS 225 Cb 0.95 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.64 2h3g h LYS 225 CO -0.31 0.77 0.08 1.25 -2.27 0.00 0.00 179.45 178.96 2h3g h LEU 226 N 0.60 0.02 -0.17 5.20 5.85 -1.73 -0.52 115.31 124.57 2h3g h LEU 226 Ca 0.13 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 2h3g h LEU 226 Cb 0.39 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2h3g h LEU 226 CO 0.01 0.05 0.03 0.40 -0.34 0.00 0.00 178.44 178.59 2h3g h ILE 227 N 0.20 1.21 -0.01 4.05 1.08 -1.37 -2.96 117.51 119.71 2h3g h ILE 227 Ca 0.17 -0.68 -0.07 0.00 -0.39 0.00 0.00 64.86 63.89 2h3g h ILE 227 Cb 0.19 1.34 -0.01 0.00 -3.07 0.00 0.00 36.82 35.27 2h3g h ILE 227 CO -0.22 0.21 -0.35 0.77 -0.69 0.00 0.00 178.15 177.87 2h3g h SER 228 N 0.07 0.03 -0.23 1.72 4.64 -0.80 -0.45 113.55 118.53 2h3g h SER 228 Ca 0.05 -0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.40 2h3g h SER 228 Cb 0.28 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2h3g h SER 228 CO 0.00 0.37 0.16 -0.33 -0.87 0.00 0.00 176.83 176.16 2h3g h GLU 229 N 0.02 0.15 -0.01 4.77 5.08 -1.02 -3.06 114.58 120.52 2h3g h GLU 229 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2h3g h GLU 229 Cb 0.62 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2h3g h GLU 229 CO 0.05 0.10 -0.42 0.39 -1.00 0.00 0.00 179.01 178.12 2h3g n GLU 230 N -4.50 0.62 -3.76 2.33 -0.58 -0.22 -4.98 120.64 109.55 2h3g n GLU 230 Ca 0.01 -0.41 -0.10 0.00 -0.42 0.00 0.00 57.16 56.25 2h3g n GLU 230 Cb 0.19 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.51 2h3g n GLU 230 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2h3g s SER 231 N -2.67 -0.12 0.00 1.62 1.04 -0.96 -5.03 113.70 107.59 2h3g s SER 231 Ca 0.19 -0.52 0.24 0.00 0.48 0.00 0.00 55.95 56.33 2h3g s SER 231 Cb 0.18 0.46 0.13 0.00 0.10 0.00 0.00 66.02 66.89 2h3g s SER 231 CO 0.61 -0.88 1.21 0.59 0.98 0.00 0.00 173.24 175.74 2h3g n ASN 232 N -0.22 2.71 0.27 7.02 3.02 -1.26 -4.51 115.26 122.28 2h3g n ASN 232 Ca -0.13 -1.85 0.10 0.00 -0.03 0.00 0.00 54.58 52.67 2h3g n ASN 232 Cb 0.63 0.15 0.72 0.00 -0.61 0.00 0.00 39.78 40.67 2h3g n ASN 232 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 2h3g h VAL 233 N 4.02 0.84 -3.54 2.41 3.04 -1.94 -3.39 116.25 117.68 2h3g h VAL 233 Ca 0.00 -0.08 -0.61 0.00 -1.01 0.00 0.00 66.70 65.00 2h3g h VAL 233 Cb 0.93 1.05 -0.12 0.00 -2.01 0.00 0.00 31.29 31.13 2h3g h VAL 233 CO 0.00 0.02 -0.15 -0.63 -1.01 0.00 0.00 177.57 175.81 2h3g s ILE 234 N -4.85 5.15 -0.10 3.17 1.01 -1.26 -4.72 121.20 119.60 2h3g s ILE 234 Ca -0.05 0.75 -0.21 0.00 0.00 0.00 0.00 60.65 61.14 2h3g s ILE 234 Cb 0.16 -3.76 -0.18 0.00 0.01 0.00 0.00 42.46 38.69 2h3g s ILE 234 CO 0.63 0.19 0.69 0.44 0.00 0.00 0.00 174.94 176.89 2h3g h ASP 235 N 7.66 -0.05 -3.50 3.58 3.32 -1.13 -3.46 116.42 122.84 2h3g h ASP 235 Ca -0.33 -0.60 -0.47 0.00 0.02 0.00 0.00 57.03 55.64 2h3g h ASP 235 Cb 1.16 0.01 -0.33 0.00 0.22 0.00 0.00 39.33 40.39 2h3g h ASP 235 CO 0.71 0.70 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.44 2h3g s VAL 236 N -2.58 0.91 -0.26 -1.35 1.01 -0.99 -5.05 120.40 112.09 2h3g s VAL 236 Ca -0.13 -0.36 -0.14 0.00 0.00 0.00 0.00 61.98 61.34 2h3g s VAL 236 Cb -0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2h3g s VAL 236 CO 0.50 0.30 0.34 -0.69 0.00 0.00 0.00 175.10 175.55 2h3g s VAL 237 N 0.66 5.21 -0.37 2.92 1.01 -1.26 -0.99 120.40 127.57 2h3g s VAL 237 Ca -0.12 0.52 0.03 0.00 0.00 0.00 0.00 61.98 62.41 2h3g s VAL 237 Cb -0.14 -3.67 0.11 0.00 0.00 0.00 0.00 36.38 32.67 2h3g s VAL 237 CO 0.02 0.19 0.09 -0.62 0.00 0.00 0.00 175.10 174.79 2h3g s ASP 238 N 1.53 4.58 0.37 3.32 -1.08 -0.09 -4.94 116.67 120.36 2h3g s ASP 238 Ca 0.14 -2.24 0.27 0.00 -0.52 0.00 0.00 52.55 50.21 2h3g s ASP 238 Cb -0.15 -1.52 1.24 0.00 -1.46 0.00 0.00 42.92 41.02 2h3g s ASP 238 CO 0.09 -0.36 1.82 -0.65 0.52 0.00 0.00 175.17 176.60 2h3g h PRO 239 N 7.48 0.00 -0.09 4.34 0.11 -1.93 -2.91 132.00 139.00 2h3g h PRO 239 Ca -0.06 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 2h3g h PRO 239 Cb 1.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2h3g h PRO 239 CO 0.54 0.00 -0.09 1.19 -0.21 0.00 0.00 178.00 179.43 2h3g n PHE 240 N -2.51 0.30 -0.14 0.65 3.72 -1.26 -4.66 117.46 113.57 2h3g n PHE 240 Ca 0.01 -1.11 -0.04 0.00 -0.05 0.00 0.00 57.45 56.26 2h3g n PHE 240 Cb 0.19 -0.23 0.05 0.00 -0.94 0.00 0.00 39.48 38.55 2h3g n PHE 240 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2h3g h LEU 241 N 0.64 -0.03 -0.42 4.37 5.85 -1.90 -1.44 115.31 122.39 2h3g h LEU 241 Ca 0.02 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 2h3g h LEU 241 Cb 1.16 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 2h3g h LEU 241 CO 0.08 0.02 0.07 0.74 -0.34 0.00 0.00 178.44 179.01 2h3g h THR 242 N 0.20 1.24 -0.67 1.05 2.02 -1.87 0.87 112.91 115.76 2h3g h THR 242 Ca 0.22 -0.89 0.04 0.00 0.77 0.00 0.00 66.41 66.55 2h3g h THR 242 Cb 0.29 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.65 2h3g h THR 242 CO -0.30 0.31 0.40 -0.07 0.37 0.00 0.00 175.52 176.23 2h3g h LEU 243 N 0.56 0.63 -0.41 2.58 3.38 -1.84 -0.16 115.31 120.05 2h3g h LEU 243 Ca 0.13 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 2h3g h LEU 243 Cb 0.38 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2h3g h LEU 243 CO 0.01 0.43 -0.02 0.11 0.09 0.00 0.00 178.44 179.06 2h3g h LYS 244 N 0.77 0.74 -0.70 1.13 1.57 -0.96 -1.38 116.57 117.74 2h3g h LYS 244 Ca 0.28 -0.24 0.07 0.00 -1.87 0.00 0.00 60.65 58.89 2h3g h LYS 244 Cb 0.09 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 2h3g h LYS 244 CO -0.14 0.83 0.38 0.78 -0.57 0.00 0.00 179.45 180.73 2h3g h GLY 245 N 0.56 1.03 1.10 3.86 0.00 -0.56 -1.12 103.07 107.94 2h3g h GLY 245 Ca 0.11 -0.25 -0.12 0.00 0.00 0.00 0.00 47.33 47.07 2h3g h GLY 245 CO 0.02 0.13 -0.16 1.41 0.00 0.00 0.00 176.54 177.94 2h3g h LEU 246 N 0.68 1.02 -0.70 3.11 3.38 -0.74 -0.39 115.31 121.67 2h3g h LEU 246 Ca 0.32 -0.37 0.10 0.00 0.09 0.00 0.00 57.88 58.02 2h3g h LEU 246 Cb 0.25 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 2h3g h LEU 246 CO -0.21 1.17 0.33 0.22 0.09 0.00 0.00 178.44 180.04 2h3g h TYR 247 N 0.87 0.59 -0.52 1.13 3.20 -1.07 0.08 116.97 121.25 2h3g h TYR 247 Ca 0.12 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 2h3g h TYR 247 Cb 0.74 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 2h3g h TYR 247 CO 0.05 0.19 0.26 0.52 -1.64 0.00 0.00 178.16 177.54 2h3g h MET 248 N 0.56 0.74 -0.85 1.82 2.86 -0.48 -1.92 114.93 117.67 2h3g h MET 248 Ca 0.35 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.86 2h3g h MET 248 Cb 0.40 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 2h3g h MET 248 CO -0.29 0.60 0.42 -0.07 1.06 0.00 0.00 176.91 178.63 2h3g h LEU 249 N 0.69 1.10 0.07 1.22 3.38 -0.74 -0.82 115.31 120.22 2h3g h LEU 249 Ca 0.18 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2h3g h LEU 249 Cb 0.10 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2h3g h LEU 249 CO -0.02 0.92 -0.04 0.22 0.09 0.00 0.00 178.44 179.60 2h3g h TYR 250 N 1.20 -0.10 -0.42 1.13 3.20 -0.75 -0.76 116.97 120.47 2h3g h TYR 250 Ca 0.29 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.20 2h3g h TYR 250 Cb 0.10 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 2h3g h TYR 250 CO 0.01 -0.06 0.20 0.93 -1.64 0.00 0.00 178.16 177.61 2h3g h GLU 251 N -0.10 0.40 -0.73 1.82 4.39 -0.95 -0.87 114.58 118.54 2h3g h GLU 251 Ca -0.01 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.69 2h3g h GLU 251 Cb 0.08 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 2h3g h GLU 251 CO 0.01 0.26 0.47 -0.09 -1.16 0.00 0.00 179.01 178.51 2h3g h ARG 252 N 0.41 0.91 -0.53 2.33 2.43 -1.05 -3.08 114.38 115.81 2h3g h ARG 252 Ca 0.18 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2h3g h ARG 252 Cb 0.10 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 2h3g h ARG 252 CO -0.14 0.60 0.00 0.09 -1.51 0.00 0.00 179.97 179.02 2h3g n ASN 253 N -4.61 2.79 -0.72 -3.80 3.02 -0.30 -5.07 115.26 106.55 2h3g n ASN 253 Ca 0.07 -2.14 0.13 0.00 -0.03 0.00 0.00 54.58 52.62 2h3g n ASN 253 Cb 0.05 -0.38 0.31 0.00 -0.61 0.00 0.00 39.78 39.16 2h3g n ASN 253 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64