#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgl s GLN 2 N 0.00 0.69 0.05 -1.09 -0.21 -1.26 -4.72 119.66 113.12 3kgl s GLN 2 Ca 0.00 -1.26 -0.08 0.00 0.02 0.00 0.00 55.36 54.04 3kgl s GLN 2 Cb 0.00 0.07 -0.05 0.00 1.00 0.00 0.00 33.01 34.03 3kgl s GLN 2 CO 0.00 -0.08 0.15 0.34 -2.12 0.00 0.00 175.29 173.58 3kgl n PHE 3 N 0.05 -0.13 -0.15 0.91 7.35 -1.26 -2.79 117.46 121.45 3kgl n PHE 3 Ca -0.13 0.27 0.04 0.00 -0.76 0.00 0.00 57.45 56.87 3kgl n PHE 3 Cb 0.61 -0.55 0.24 0.00 0.35 0.00 0.00 39.48 40.13 3kgl n PHE 3 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3kgl n PRO 4 N 0.28 3.32 -1.39 -7.13 -0.05 -1.26 -4.81 135.00 123.96 3kgl n PRO 4 Ca 0.05 -1.90 -0.27 0.00 -0.05 0.00 0.00 63.50 61.34 3kgl n PRO 4 Cb 0.07 -1.96 0.10 0.00 -0.05 0.00 0.00 33.50 31.66 3kgl n PRO 4 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 3kgl n ASN 5 N 0.35 5.80 0.20 3.54 5.03 -1.12 -4.79 115.26 124.28 3kgl n ASN 5 Ca 0.17 -3.76 0.12 0.00 0.87 0.00 0.00 54.58 51.98 3kgl n ASN 5 Cb 0.83 -0.78 0.62 0.00 -1.02 0.00 0.00 39.78 39.43 3kgl n ASN 5 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.26 176.48 3kgl h GLU 6 N 1.75 0.00 0.00 3.52 4.11 -1.85 -2.31 114.58 119.80 3kgl h GLU 6 Ca 0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.94 3kgl h GLU 6 Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.65 3kgl h GLU 6 CO 1.18 0.00 -0.01 0.00 0.07 0.00 0.00 179.01 180.25 3kgl n GLN 8 N -0.77 3.26 -2.52 0.00 -0.06 -0.87 -4.93 117.38 111.48 3kgl n GLN 8 Ca 0.05 -2.17 -0.41 0.00 -2.00 0.00 0.00 57.00 52.48 3kgl n GLN 8 Cb 0.39 -2.85 -0.04 0.00 -4.06 0.00 0.00 30.24 23.68 3kgl n GLN 8 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3kgl s LEU 9 N 0.58 4.48 0.00 1.69 2.01 -1.26 -4.87 118.68 121.30 3kgl s LEU 9 Ca 0.61 2.06 0.04 0.00 0.01 0.00 0.00 54.13 56.85 3kgl s LEU 9 Cb 0.16 -3.60 0.02 0.00 0.01 0.00 0.00 46.19 42.78 3kgl s LEU 9 CO -0.06 -0.23 0.55 0.47 1.01 0.00 0.00 176.35 178.09 3kgl n ASP 10 N 2.52 1.14 -3.73 2.29 8.00 -1.26 -5.00 116.55 120.52 3kgl n ASP 10 Ca 0.03 -1.07 -0.14 0.00 0.71 0.00 0.00 54.79 54.32 3kgl n ASP 10 Cb 0.46 0.14 -0.08 0.00 -0.02 0.00 0.00 41.12 41.62 3kgl n ASP 10 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3kgl s GLN 11 N -0.44 0.70 0.24 -1.24 -1.52 -1.26 -4.65 119.66 111.49 3kgl s GLN 11 Ca 0.04 -0.05 0.09 0.00 -1.95 0.00 0.00 55.36 53.49 3kgl s GLN 11 Cb 0.03 0.32 -0.05 0.00 -0.22 0.00 0.00 33.01 33.09 3kgl s GLN 11 CO 0.06 -0.19 -0.15 -0.51 -0.25 0.00 0.00 175.29 174.25 3kgl s LEU 12 N -1.15 2.57 0.06 2.90 1.43 0.27 -4.90 118.68 119.86 3kgl s LEU 12 Ca -0.12 -1.05 -0.00 0.00 -1.03 0.00 0.00 54.13 51.93 3kgl s LEU 12 Cb -0.04 -0.82 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 3kgl s LEU 12 CO 0.05 -0.13 -0.04 0.20 0.23 0.00 0.00 176.35 176.66 3kgl s ASN 13 N -3.40 0.68 -0.06 2.29 0.02 -1.26 -4.78 114.94 108.42 3kgl s ASN 13 Ca 0.26 -1.00 -0.30 0.00 -1.02 0.00 0.00 52.86 50.80 3kgl s ASN 13 Cb -0.01 0.17 -0.04 0.00 0.02 0.00 0.00 41.25 41.39 3kgl s ASN 13 CO 0.10 -0.56 1.38 0.00 0.02 0.00 0.00 177.10 178.04 3kgl s ALA 14 N -3.83 3.60 -0.16 0.60 0.00 -1.26 -4.68 121.76 116.03 3kgl s ALA 14 Ca 0.08 0.73 -0.07 0.00 0.00 0.00 0.00 51.96 52.70 3kgl s ALA 14 Cb 0.07 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 3kgl s ALA 14 CO -0.08 -1.05 0.09 -0.51 0.00 0.00 0.00 175.76 174.20 3kgl s LEU 15 N 2.97 4.00 0.43 0.00 1.43 0.80 -4.85 118.68 123.47 3kgl s LEU 15 Ca 0.62 0.21 0.07 0.00 -1.03 0.00 0.00 54.13 54.00 3kgl s LEU 15 Cb -0.28 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 43.93 3kgl s LEU 15 CO 0.23 0.25 0.37 -1.61 0.23 0.00 0.00 176.35 175.82 3kgl s GLU 16 N -0.10 2.46 0.65 1.70 2.02 -1.26 -1.22 118.70 122.94 3kgl s GLU 16 Ca 0.08 -1.62 -0.15 0.00 0.02 0.00 0.00 54.97 53.30 3kgl s GLU 16 Cb -0.12 -2.31 -0.01 0.00 0.10 0.00 0.00 34.13 31.79 3kgl s GLU 16 CO 0.01 -0.24 1.09 -2.14 0.02 0.00 0.00 175.26 174.00 3kgl s PRO 17 N -4.13 2.93 0.00 0.39 0.02 -1.26 -4.62 135.00 128.32 3kgl s PRO 17 Ca 0.46 1.31 0.14 0.00 0.02 0.00 0.00 61.00 62.93 3kgl s PRO 17 Cb -0.02 -1.97 0.03 0.00 0.02 0.00 0.00 34.50 32.56 3kgl s PRO 17 CO 0.27 -1.14 0.82 0.43 -0.33 0.00 0.00 177.00 177.05 3kgl n SER 18 N -2.38 1.69 -3.68 2.53 7.64 -0.54 -4.91 113.62 113.97 3kgl n SER 18 Ca 0.10 -1.34 -0.09 0.00 1.01 0.00 0.00 58.87 58.54 3kgl n SER 18 Cb 0.52 0.32 -0.10 0.00 -1.01 0.00 0.00 64.21 63.94 3kgl n SER 18 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3kgl s HIS 19 N -1.51 -0.73 -0.25 1.43 3.76 -1.04 -4.99 115.29 111.96 3kgl s HIS 19 Ca 0.13 1.49 -0.00 0.00 -0.15 0.00 0.00 55.06 56.52 3kgl s HIS 19 Cb 0.11 0.34 0.04 0.00 1.11 0.00 0.00 32.58 34.18 3kgl s HIS 19 CO 0.29 -0.41 -0.08 0.08 -0.85 0.00 0.00 174.74 173.77 3kgl s VAL 20 N 1.74 2.60 -0.31 -0.90 1.01 -1.26 -1.01 120.40 122.27 3kgl s VAL 20 Ca -0.08 -1.22 -0.24 0.00 0.00 0.00 0.00 61.98 60.44 3kgl s VAL 20 Cb -0.09 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.92 3kgl s VAL 20 CO -0.14 0.14 0.80 -0.76 0.00 0.00 0.00 175.10 175.14 3kgl s LEU 21 N 1.25 4.08 -0.23 3.92 1.43 -0.78 -4.98 118.68 123.38 3kgl s LEU 21 Ca -0.02 0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 53.59 3kgl s LEU 21 Cb -0.17 -3.09 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 3kgl s LEU 21 CO -0.05 -0.62 0.43 -0.54 0.23 0.00 0.00 176.35 175.79 3kgl s LYS 22 N 2.98 4.11 0.40 1.70 1.02 -1.26 -2.00 119.74 126.68 3kgl s LYS 22 Ca 0.33 0.20 0.07 0.00 0.02 0.00 0.00 55.97 56.59 3kgl s LYS 22 Cb -0.14 -3.60 -0.08 0.00 -0.52 0.00 0.00 37.83 33.49 3kgl s LYS 22 CO 0.13 -0.19 -0.00 0.00 -0.92 0.00 0.00 175.35 174.36 3kgl s ALA 23 N 1.79 3.12 0.11 5.17 0.00 -0.48 -4.76 121.76 126.71 3kgl s ALA 23 Ca 0.19 -2.27 -0.30 0.00 0.00 0.00 0.00 51.96 49.57 3kgl s ALA 23 Cb -0.15 0.15 -0.11 0.00 0.00 0.00 0.00 23.12 23.01 3kgl s ALA 23 CO 0.09 -0.10 1.61 1.49 0.00 0.00 0.00 175.76 178.85 3kgl h GLU 24 N 1.81 -0.63 -0.88 0.00 4.81 -0.06 -3.16 114.58 116.48 3kgl h GLU 24 Ca -0.44 0.04 -0.55 0.00 -0.13 0.00 0.00 59.36 58.29 3kgl h GLU 24 Cb 1.24 0.14 -0.29 0.00 0.63 0.00 0.00 28.75 30.48 3kgl h GLU 24 CO 0.79 -0.42 0.47 0.00 -0.73 0.00 0.00 179.01 179.12 3kgl n ALA 25 N -2.71 5.69 0.00 2.92 0.00 1.00 -4.83 120.51 122.58 3kgl n ALA 25 Ca -0.08 -3.31 0.00 0.00 0.00 0.00 0.00 53.44 50.05 3kgl n ALA 25 Cb 0.36 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3kgl n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kgl n GLY 26 N -0.99 0.68 3.26 0.00 0.00 -1.20 -1.07 105.19 105.88 3kgl n GLY 26 Ca 0.56 -1.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.60 3kgl n GLY 26 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kgl s ARG 27 N -1.87 1.18 -0.28 1.61 1.70 0.07 -1.38 118.95 119.99 3kgl s ARG 27 Ca 0.00 -1.58 0.02 0.00 -0.47 0.00 0.00 55.73 53.70 3kgl s ARG 27 Cb 0.00 -0.32 0.08 0.00 -0.57 0.00 0.00 34.95 34.13 3kgl s ARG 27 CO 0.00 -0.14 -0.03 0.42 -1.08 0.00 0.00 175.30 174.47 3kgl s ILE 28 N -3.63 1.88 -0.26 4.99 1.01 -0.85 -0.24 121.20 124.10 3kgl s ILE 28 Ca 0.26 -1.69 -0.10 0.00 0.00 0.00 0.00 60.65 59.12 3kgl s ILE 28 Cb 0.06 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.29 3kgl s ILE 28 CO 0.06 -0.28 0.16 -1.61 0.00 0.00 0.00 174.94 173.27 3kgl s GLU 29 N 1.18 3.93 -0.10 2.79 2.02 0.63 -1.86 118.70 127.29 3kgl s GLU 29 Ca -0.00 -0.33 0.03 0.00 0.02 0.00 0.00 54.97 54.68 3kgl s GLU 29 Cb -0.19 -3.56 0.00 0.00 0.10 0.00 0.00 34.13 30.49 3kgl s GLU 29 CO -0.08 -0.10 -0.21 0.54 0.02 0.00 0.00 175.26 175.43 3kgl s VAL 30 N 1.50 1.83 0.63 2.63 0.11 -0.18 -0.01 120.40 126.91 3kgl s VAL 30 Ca 0.07 -0.88 -0.14 0.00 -2.93 0.00 0.00 61.98 58.10 3kgl s VAL 30 Cb -0.15 -1.61 -0.02 0.00 -1.53 0.00 0.00 36.38 33.07 3kgl s VAL 30 CO 0.08 0.51 1.06 0.26 -3.33 0.00 0.00 175.10 173.68 3kgl s TRP 31 N 0.50 3.01 -0.34 1.54 0.51 -0.57 -1.47 118.94 122.12 3kgl s TRP 31 Ca -0.16 1.49 -0.26 0.00 -2.12 0.00 0.00 56.10 55.05 3kgl s TRP 31 Cb -0.17 -2.97 0.01 0.00 -0.81 0.00 0.00 33.47 29.53 3kgl s TRP 31 CO 0.06 -1.18 0.92 0.34 -0.51 0.00 0.00 176.95 176.58 3kgl s ASP 32 N -3.10 6.74 -0.05 2.95 -1.08 -1.26 -4.68 116.67 116.20 3kgl s ASP 32 Ca 0.62 0.72 0.13 0.00 -0.52 0.00 0.00 52.55 53.50 3kgl s ASP 32 Cb -0.15 -2.47 0.45 0.00 -1.46 0.00 0.00 42.92 39.29 3kgl s ASP 32 CO 0.43 -0.79 1.33 0.00 0.52 0.00 0.00 175.17 176.66 3kgl n HIS 33 N 6.63 0.84 0.50 -5.34 1.44 -1.26 -3.22 115.22 114.81 3kgl n HIS 33 Ca 0.07 -0.36 0.11 0.00 -2.01 0.00 0.00 57.72 55.53 3kgl n HIS 33 Cb 0.48 -0.11 -0.04 0.00 0.12 0.00 0.00 29.99 30.44 3kgl n HIS 33 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3kgl n HIS 34 N 0.73 0.21 -1.66 -1.40 8.25 -1.26 -4.07 115.22 116.01 3kgl n HIS 34 Ca 0.16 0.06 -0.51 0.00 -0.26 0.00 0.00 57.72 57.17 3kgl n HIS 34 Cb 0.54 -0.41 -0.06 0.00 1.12 0.00 0.00 29.99 31.19 3kgl n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kgl n ALA 35 N -1.88 0.23 -0.32 -1.41 0.00 -1.20 -4.76 120.51 111.18 3kgl n ALA 35 Ca 0.01 0.41 0.07 0.00 0.00 0.00 0.00 53.44 53.93 3kgl n ALA 35 Cb 0.45 -2.28 0.17 0.00 0.00 0.00 0.00 19.45 17.78 3kgl n ALA 35 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kgl h PRO 36 N 6.72 0.01 -0.91 0.00 0.11 -1.90 0.20 132.00 136.23 3kgl h PRO 36 Ca -0.47 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3kgl h PRO 36 Cb 1.30 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.36 3kgl h PRO 36 CO 0.89 0.01 0.53 0.37 -0.21 0.00 0.00 178.00 179.59 3kgl h GLN 37 N 0.01 1.24 0.00 1.05 4.15 -1.88 0.07 115.11 119.76 3kgl h GLN 37 Ca 0.48 -0.12 -0.06 0.00 0.77 0.00 0.00 58.65 59.72 3kgl h GLN 37 Cb 0.81 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 3kgl h GLN 37 CO -0.91 0.88 -0.50 -0.07 -1.93 0.00 0.00 178.83 176.29 3kgl h LEU 38 N 1.26 0.00 -0.13 -2.39 3.38 -1.18 -3.21 115.31 113.05 3kgl h LEU 38 Ca 0.32 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.06 3kgl h LEU 38 Cb -0.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.74 3kgl h LEU 38 CO -0.06 0.24 -0.94 -0.09 0.09 0.00 0.00 178.44 177.69 3kgl h ARG 39 N 0.00 0.59 -0.99 1.13 2.43 -0.35 -2.36 114.38 114.83 3kgl h ARG 39 Ca -0.02 -0.59 0.13 0.00 -0.81 0.00 0.00 59.98 58.68 3kgl h ARG 39 Cb 1.20 0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 30.83 3kgl h ARG 39 CO 0.03 1.21 0.62 0.00 -1.51 0.00 0.00 179.97 180.32 3kgl h SER 41 N 0.93 0.06 0.00 0.00 0.02 -1.54 -3.48 113.55 109.54 3kgl h SER 41 Ca 0.50 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 3kgl h SER 41 Cb 0.56 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.08 3kgl h SER 41 CO -0.27 1.05 0.00 0.61 -1.14 0.00 0.00 176.83 177.08 3kgl n GLY 42 N 1.38 0.45 3.40 -3.77 0.00 -0.90 -4.87 105.19 100.89 3kgl n GLY 42 Ca -0.02 -0.92 -0.20 0.00 0.00 0.00 0.00 46.02 44.87 3kgl n GLY 42 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kgl s VAL 43 N -2.00 1.85 0.40 1.61 -7.23 -1.21 -0.19 120.40 113.63 3kgl s VAL 43 Ca 0.00 -2.22 0.06 0.00 -1.81 0.00 0.00 61.98 58.01 3kgl s VAL 43 Cb 0.00 -2.24 -0.07 0.00 0.56 0.00 0.00 36.38 34.63 3kgl s VAL 43 CO 0.00 -0.46 0.02 -0.55 -0.31 0.00 0.00 175.10 173.80 3kgl s SER 44 N -3.40 3.64 -0.02 4.85 0.15 -0.40 -4.74 113.70 113.79 3kgl s SER 44 Ca 0.26 -1.39 -0.01 0.00 0.70 0.00 0.00 55.95 55.51 3kgl s SER 44 Cb 0.00 -0.28 0.02 0.00 -1.71 0.00 0.00 66.02 64.05 3kgl s SER 44 CO 0.10 -0.51 0.04 0.12 1.20 0.00 0.00 173.24 174.19 3kgl s PHE 45 N -2.82 -0.01 0.00 3.44 5.36 -1.26 -1.08 117.98 121.61 3kgl s PHE 45 Ca 0.33 0.14 0.00 0.00 -0.96 0.00 0.00 56.93 56.44 3kgl s PHE 45 Cb 0.09 -0.12 -0.00 0.00 -0.34 0.00 0.00 43.02 42.65 3kgl s PHE 45 CO 0.17 -0.06 -0.01 0.54 -1.46 0.00 0.00 175.22 174.39 3kgl s VAL 46 N 0.63 0.09 -0.12 3.12 0.11 -0.29 -1.51 120.40 122.43 3kgl s VAL 46 Ca -0.05 -0.17 0.03 0.00 -2.93 0.00 0.00 61.98 58.85 3kgl s VAL 46 Cb -0.07 -0.11 -0.00 0.00 -1.53 0.00 0.00 36.38 34.67 3kgl s VAL 46 CO -0.02 -0.05 -0.21 -0.60 -3.33 0.00 0.00 175.10 170.89 3kgl s ARG 47 N -0.23 3.12 0.01 1.54 3.52 0.98 -1.10 118.95 126.79 3kgl s ARG 47 Ca -0.02 -0.83 -0.14 0.00 -0.13 0.00 0.00 55.73 54.61 3kgl s ARG 47 Cb -0.02 -2.42 -0.06 0.00 -1.56 0.00 0.00 34.95 30.89 3kgl s ARG 47 CO -0.00 0.13 0.41 0.71 -0.81 0.00 0.00 175.30 175.74 3kgl s TYR 48 N 0.50 3.72 -0.31 5.12 2.02 0.16 -0.27 117.35 128.28 3kgl s TYR 48 Ca -0.14 0.99 0.04 0.00 -0.37 0.00 0.00 57.07 57.59 3kgl s TYR 48 Cb -0.17 -2.29 0.09 0.00 -0.40 0.00 0.00 41.96 39.19 3kgl s TYR 48 CO 0.05 0.63 -0.00 0.42 -1.57 0.00 0.00 175.55 175.08 3kgl s ILE 49 N -1.11 2.26 -0.44 2.71 -1.09 0.66 -2.35 121.20 121.84 3kgl s ILE 49 Ca 0.25 -2.11 -0.14 0.00 -2.23 0.00 0.00 60.65 56.42 3kgl s ILE 49 Cb -0.17 -2.56 0.05 0.00 -1.58 0.00 0.00 42.46 38.20 3kgl s ILE 49 CO 0.14 -0.41 0.33 -0.63 -1.23 0.00 0.00 174.94 173.13 3kgl s ILE 50 N 0.97 5.05 1.08 2.92 -1.09 0.40 -0.75 121.20 129.77 3kgl s ILE 50 Ca 0.04 -0.95 -0.15 0.00 -2.23 0.00 0.00 60.65 57.36 3kgl s ILE 50 Cb -0.19 -3.94 0.23 0.00 -1.58 0.00 0.00 42.46 36.98 3kgl s ILE 50 CO -0.07 -0.45 1.12 -1.61 -1.23 0.00 0.00 174.94 172.70 3kgl s GLU 51 N 1.62 -0.21 0.21 2.79 2.02 -0.23 -0.42 118.70 124.48 3kgl s GLU 51 Ca 0.04 0.17 -0.32 0.00 0.02 0.00 0.00 54.97 54.88 3kgl s GLU 51 Cb -0.22 -1.69 -0.13 0.00 0.10 0.00 0.00 34.13 32.19 3kgl s GLU 51 CO 0.07 -3.09 1.62 0.45 0.02 0.00 0.00 175.26 174.33 3kgl n SER 52 N -4.36 3.55 -0.08 -0.19 2.88 -1.26 -1.55 113.62 112.60 3kgl n SER 52 Ca 0.09 1.09 -0.01 0.00 -1.33 0.00 0.00 58.87 58.71 3kgl n SER 52 Cb 0.59 -1.52 -0.00 0.00 -0.75 0.00 0.00 64.21 62.53 3kgl n SER 52 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3kgl n LYS 53 N 3.22 -0.65 -2.98 -1.46 4.81 0.19 -4.94 118.16 116.35 3kgl n LYS 53 Ca 0.14 0.26 -0.32 0.00 -0.87 0.00 0.00 58.31 57.52 3kgl n LYS 53 Cb 0.33 -3.81 -0.05 0.00 0.02 0.00 0.00 35.03 31.52 3kgl n LYS 53 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3kgl s GLY 54 N -2.14 2.18 -0.14 3.14 0.00 -0.60 -1.69 107.32 108.07 3kgl s GLY 54 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 44.72 44.69 3kgl s GLY 54 CO 0.00 0.18 -0.06 -2.27 0.00 0.00 0.00 173.10 170.94 3kgl s LEU 55 N -3.37 1.40 -0.39 0.66 2.96 0.13 -1.54 118.68 118.53 3kgl s LEU 55 Ca 0.54 -0.49 -0.29 0.00 -0.22 0.00 0.00 54.13 53.67 3kgl s LEU 55 Cb -0.10 -0.87 0.01 0.00 0.50 0.00 0.00 46.19 45.72 3kgl s LEU 55 CO 0.23 -0.15 1.38 -0.47 -1.32 0.00 0.00 176.35 176.02 3kgl s TYR 56 N 1.67 2.47 0.46 5.38 5.04 0.26 -1.82 117.35 130.81 3kgl s TYR 56 Ca 0.03 0.71 -0.23 0.00 -2.44 0.00 0.00 57.07 55.14 3kgl s TYR 56 Cb -0.14 -4.24 -0.08 0.00 0.35 0.00 0.00 41.96 37.86 3kgl s TYR 56 CO -0.08 -1.91 1.13 -0.51 -1.34 0.00 0.00 175.55 172.83 3kgl s LEU 57 N 5.19 4.00 -0.30 6.97 1.43 -0.26 -1.70 118.68 134.00 3kgl s LEU 57 Ca 0.60 2.20 -0.39 0.00 -1.03 0.00 0.00 54.13 55.51 3kgl s LEU 57 Cb -0.14 -4.29 -0.15 0.00 0.03 0.00 0.00 46.19 41.64 3kgl s LEU 57 CO 0.31 -0.85 1.85 -2.65 0.23 0.00 0.00 176.35 175.24 3kgl n PRO 58 N -0.53 1.12 -4.40 1.29 -0.02 -1.25 -4.78 135.00 126.43 3kgl n PRO 58 Ca 0.07 0.39 -0.21 0.00 -2.02 0.00 0.00 63.50 61.74 3kgl n PRO 58 Cb 0.49 -2.15 -0.10 0.00 -0.02 0.00 0.00 33.50 31.72 3kgl n PRO 58 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kgl s SER 59 N 4.34 2.85 0.24 2.55 1.04 -0.97 -1.08 113.70 122.66 3kgl s SER 59 Ca 1.01 -1.09 0.03 0.00 0.48 0.00 0.00 55.95 56.39 3kgl s SER 59 Cb -1.05 -0.18 -0.05 0.00 0.10 0.00 0.00 66.02 64.84 3kgl s SER 59 CO 0.63 -0.19 0.01 0.72 0.98 0.00 0.00 173.24 175.38 3kgl s PHE 60 N -2.89 1.56 0.33 5.02 -0.12 -0.82 -0.97 117.98 120.09 3kgl s PHE 60 Ca 0.26 -0.95 0.03 0.00 -0.05 0.00 0.00 56.93 56.23 3kgl s PHE 60 Cb 0.00 -0.91 -0.05 0.00 -0.63 0.00 0.00 43.02 41.43 3kgl s PHE 60 CO 0.10 -0.07 0.08 -0.06 -0.05 0.00 0.00 175.22 175.22 3kgl s PHE 61 N -3.45 1.85 -2.47 3.49 0.08 -1.26 -1.21 117.98 115.01 3kgl s PHE 61 Ca 0.29 -1.07 0.24 0.00 0.12 0.00 0.00 56.93 56.51 3kgl s PHE 61 Cb 0.06 -1.19 0.71 0.00 -0.57 0.00 0.00 43.02 42.03 3kgl s PHE 61 CO 0.09 -0.12 1.54 -1.13 -0.10 0.00 0.00 175.22 175.50 3kgl n SER 62 N -0.80 2.07 -3.94 1.36 3.41 -1.26 -1.77 113.62 112.70 3kgl n SER 62 Ca -0.03 -1.73 -0.10 0.00 -0.26 0.00 0.00 58.87 56.76 3kgl n SER 62 Cb 0.66 -0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.43 3kgl n SER 62 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3kgl s THR 63 N -1.83 0.11 0.55 6.66 -4.23 -1.26 -3.65 115.64 111.99 3kgl s THR 63 Ca 0.34 -0.95 -0.21 0.00 -1.18 0.00 0.00 61.69 59.69 3kgl s THR 63 Cb 0.20 -0.53 -0.05 0.00 1.34 0.00 0.00 72.50 73.46 3kgl s THR 63 CO 0.30 -0.52 1.34 0.00 -0.54 0.00 0.00 174.62 175.19 3kgl s ALA 64 N -1.85 2.79 -0.04 3.99 0.00 -1.26 -4.17 121.76 121.21 3kgl s ALA 64 Ca -0.12 1.29 0.02 0.00 0.00 0.00 0.00 51.96 53.16 3kgl s ALA 64 Cb -0.06 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.51 3kgl s ALA 64 CO -0.02 -1.35 -0.09 0.21 0.00 0.00 0.00 175.76 174.52 3kgl s LYS 65 N -2.94 1.09 -0.26 0.00 2.20 -0.61 -1.97 119.74 117.25 3kgl s LYS 65 Ca 0.72 -0.30 -0.00 0.00 -0.36 0.00 0.00 55.97 56.03 3kgl s LYS 65 Cb -0.39 -0.99 0.08 0.00 -1.51 0.00 0.00 37.83 35.01 3kgl s LYS 65 CO 0.46 0.07 0.03 -1.17 -0.36 0.00 0.00 175.35 174.37 3kgl s LEU 66 N 0.39 2.30 0.23 5.43 0.20 -1.00 -1.63 118.68 124.60 3kgl s LEU 66 Ca -0.07 -1.32 0.05 0.00 0.69 0.00 0.00 54.13 53.49 3kgl s LEU 66 Cb -0.11 -0.97 -0.03 0.00 -0.43 0.00 0.00 46.19 44.65 3kgl s LEU 66 CO 0.01 -0.32 0.30 -0.44 -0.29 0.00 0.00 176.35 175.61 3kgl s SER 67 N 1.54 6.12 -0.08 3.68 0.01 0.51 -2.43 113.70 123.05 3kgl s SER 67 Ca 0.02 0.01 -0.03 0.00 1.31 0.00 0.00 55.95 57.25 3kgl s SER 67 Cb -0.18 -1.75 0.05 0.00 0.21 0.00 0.00 66.02 64.34 3kgl s SER 67 CO -0.13 -0.04 0.16 0.12 0.41 0.00 0.00 173.24 173.76 3kgl s PHE 68 N -1.97 -0.19 -0.56 2.43 5.36 0.13 -0.41 117.98 122.77 3kgl s PHE 68 Ca 0.34 0.59 -0.28 0.00 -0.96 0.00 0.00 56.93 56.61 3kgl s PHE 68 Cb -0.09 -0.19 0.02 0.00 -0.34 0.00 0.00 43.02 42.42 3kgl s PHE 68 CO 0.28 -0.24 1.29 0.14 -1.46 0.00 0.00 175.22 175.23 3kgl s VAL 69 N 1.92 3.93 0.10 3.12 -7.23 -0.48 -0.75 120.40 121.01 3kgl s VAL 69 Ca -0.01 0.83 -0.09 0.00 -1.81 0.00 0.00 61.98 60.89 3kgl s VAL 69 Cb -0.12 -4.58 -0.21 0.00 0.56 0.00 0.00 36.38 32.03 3kgl s VAL 69 CO -0.06 -1.23 1.24 0.00 -0.31 0.00 0.00 175.10 174.74 3kgl h ALA 70 N 10.17 0.23 -2.60 1.32 0.00 -0.95 -2.81 119.26 124.62 3kgl h ALA 70 Ca -0.26 -0.71 -0.04 0.00 0.00 0.00 0.00 54.91 53.90 3kgl h ALA 70 Cb 1.07 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.74 3kgl h ALA 70 CO 1.18 0.75 0.14 -1.59 0.00 0.00 0.00 179.25 179.72 3kgl s LYS 71 N -3.27 1.14 0.00 0.00 -2.85 -1.22 -4.78 119.74 108.76 3kgl s LYS 71 Ca -0.08 -0.23 0.00 0.00 -1.00 0.00 0.00 55.97 54.66 3kgl s LYS 71 Cb 0.08 0.53 0.00 0.00 -2.06 0.00 0.00 37.83 36.37 3kgl s LYS 71 CO 0.90 -0.44 0.00 0.41 0.10 0.00 0.00 175.35 176.32 3kgl n GLY 72 N 0.18 -1.54 3.54 0.59 0.00 -1.25 -0.45 105.19 106.25 3kgl n GLY 72 Ca -0.18 -2.06 -0.13 0.00 0.00 0.00 0.00 46.02 43.65 3kgl n GLY 72 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kgl s GLU 73 N 0.00 0.85 0.00 1.61 2.12 -1.26 -3.24 118.70 118.77 3kgl s GLU 73 Ca 0.00 0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.44 3kgl s GLU 73 Cb 0.00 0.40 0.00 0.00 0.26 0.00 0.00 34.13 34.79 3kgl s GLU 73 CO 0.00 -0.28 0.00 0.41 -0.54 0.00 0.00 175.26 174.85 3kgl n GLY 74 N 0.64 -1.27 3.81 -1.50 0.00 -0.49 -4.11 105.19 102.28 3kgl n GLY 74 Ca -0.14 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 3kgl n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kgl s LEU 75 N 0.00 3.81 -0.21 0.99 1.43 0.12 -0.25 118.68 124.58 3kgl s LEU 75 Ca 0.00 -0.19 -0.18 0.00 -1.03 0.00 0.00 54.13 52.73 3kgl s LEU 75 Cb 0.00 -2.38 0.06 0.00 0.03 0.00 0.00 46.19 43.90 3kgl s LEU 75 CO 0.00 0.01 0.54 0.00 0.23 0.00 0.00 176.35 177.14 3kgl s MET 76 N -3.50 0.62 -0.01 1.70 0.23 -0.64 -0.76 119.30 116.94 3kgl s MET 76 Ca 0.32 0.79 0.04 0.00 -1.03 0.00 0.00 55.69 55.81 3kgl s MET 76 Cb -0.09 0.27 -0.01 0.00 -1.53 0.00 0.00 34.83 33.47 3kgl s MET 76 CO 0.24 -0.09 -0.13 0.20 -2.03 0.00 0.00 175.02 173.22 3kgl s GLY 77 N 0.47 0.64 0.41 3.16 0.00 -1.00 -1.94 107.32 109.07 3kgl s GLY 77 Ca -0.01 -0.54 0.06 0.00 0.00 0.00 0.00 44.72 44.22 3kgl s GLY 77 CO -0.02 -0.41 0.58 0.50 0.00 0.00 0.00 173.10 173.76 3kgl s ARG 78 N -0.21 2.91 -0.38 2.90 0.52 -1.26 -2.21 118.95 121.23 3kgl s ARG 78 Ca 0.03 -1.00 0.02 0.00 -0.52 0.00 0.00 55.73 54.27 3kgl s ARG 78 Cb -0.06 -2.72 0.15 0.00 0.52 0.00 0.00 34.95 32.85 3kgl s ARG 78 CO -0.00 -0.22 0.33 0.08 0.02 0.00 0.00 175.30 175.51 3kgl s VAL 79 N -2.38 -0.10 0.59 3.52 1.01 -0.82 -4.69 120.40 117.53 3kgl s VAL 79 Ca 0.51 -1.49 -0.15 0.00 0.00 0.00 0.00 61.98 60.85 3kgl s VAL 79 Cb -0.10 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 3kgl s VAL 79 CO 0.34 -0.80 1.04 0.68 0.00 0.00 0.00 175.10 176.36 3kgl s VAL 80 N 1.07 4.02 -0.73 2.92 -7.23 -1.26 -3.54 120.40 115.65 3kgl s VAL 80 Ca 0.20 0.92 -0.17 0.00 -1.81 0.00 0.00 61.98 61.11 3kgl s VAL 80 Cb -0.14 -3.48 -0.17 0.00 0.56 0.00 0.00 36.38 33.16 3kgl s VAL 80 CO -0.04 -0.61 1.85 -2.65 -0.31 0.00 0.00 175.10 173.34 3kgl n PRO 81 N -2.08 0.13 -2.66 4.82 -0.02 -1.26 -3.86 135.00 130.07 3kgl n PRO 81 Ca 0.08 -0.94 -0.10 0.00 -2.02 0.00 0.00 63.50 60.52 3kgl n PRO 81 Cb 0.53 -2.81 0.05 0.00 -0.02 0.00 0.00 33.50 31.25 3kgl n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kgl n GLY 82 N 5.71 -0.48 0.00 -1.23 0.00 -1.26 -5.07 105.19 102.87 3kgl n GLY 82 Ca 0.33 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.64 3kgl n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kgl n ALA 84 N -3.00 -0.48 -2.35 0.00 0.00 -1.26 -4.85 120.51 108.57 3kgl n ALA 84 Ca 0.00 0.41 -0.41 0.00 0.00 0.00 0.00 53.44 53.45 3kgl n ALA 84 Cb 0.00 -2.15 0.01 0.00 0.00 0.00 0.00 19.45 17.31 3kgl n ALA 84 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3kgl n GLU 85 N 5.05 5.03 -3.08 0.00 4.07 -1.26 -4.58 120.64 125.87 3kgl n GLU 85 Ca 0.28 -4.11 -0.44 0.00 -0.06 0.00 0.00 57.16 52.83 3kgl n GLU 85 Cb 0.08 -2.55 -0.05 0.00 -0.06 0.00 0.00 31.44 28.86 3kgl n GLU 85 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 3kgl s THR 86 N -2.81 4.75 -0.35 6.31 -1.32 -1.25 -4.56 115.64 116.41 3kgl s THR 86 Ca 0.46 -0.49 0.00 0.00 -1.21 0.00 0.00 61.69 60.45 3kgl s THR 86 Cb 0.18 -4.40 0.00 0.00 -1.51 0.00 0.00 72.50 66.77 3kgl s THR 86 CO -0.11 -0.97 0.07 -1.14 -2.21 0.00 0.00 174.62 170.26 3kgl n ARG 140 N 6.50 0.00 -3.39 7.08 0.63 -1.26 -3.82 116.66 122.39 3kgl n ARG 140 Ca -0.06 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.49 3kgl n ARG 140 Cb 0.45 -1.38 -0.06 0.00 0.45 0.00 0.00 32.46 31.92 3kgl n ARG 140 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3kgl s ASP 141 N -0.97 6.74 -0.06 6.15 2.15 -1.26 -5.08 116.67 124.33 3kgl s ASP 141 Ca 0.00 0.88 0.05 0.00 0.43 0.00 0.00 52.55 53.91 3kgl s ASP 141 Cb 0.00 -2.27 -0.01 0.00 -0.30 0.00 0.00 42.92 40.33 3kgl s ASP 141 CO 0.00 0.14 -0.22 0.00 -0.17 0.00 0.00 175.17 174.93 3kgl s MET 142 N -0.12 2.62 0.17 4.34 0.23 -1.26 -4.24 119.30 121.04 3kgl s MET 142 Ca 0.25 -0.84 -0.16 0.00 -1.03 0.00 0.00 55.69 53.90 3kgl s MET 142 Cb -0.16 -2.25 0.03 0.00 -1.53 0.00 0.00 34.83 30.92 3kgl s MET 142 CO 0.11 0.41 0.47 -3.38 -2.03 0.00 0.00 175.02 170.61 3kgl s HIS 143 N -0.23 -0.10 1.25 3.16 -3.43 -1.25 -4.94 115.29 109.75 3kgl s HIS 143 Ca -0.01 -0.23 -0.17 0.00 -0.80 0.00 0.00 55.06 53.85 3kgl s HIS 143 Cb -0.13 0.32 0.28 0.00 -1.43 0.00 0.00 32.58 31.62 3kgl s HIS 143 CO 0.03 -0.84 0.76 1.04 -2.00 0.00 0.00 174.74 173.74 3kgl n GLN 144 N -0.30 -3.03 -1.64 -0.38 6.02 -1.26 -3.87 117.38 112.92 3kgl n GLN 144 Ca -0.12 -0.87 -0.45 0.00 -0.01 0.00 0.00 57.00 55.56 3kgl n GLN 144 Cb 0.63 -1.98 -0.02 0.00 1.02 0.00 0.00 30.24 29.89 3kgl n GLN 144 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3kgl n LYS 145 N -4.55 1.70 -3.79 -1.09 4.81 -1.26 -4.91 118.16 109.07 3kgl n LYS 145 Ca 0.05 0.60 -0.29 0.00 -0.87 0.00 0.00 58.31 57.80 3kgl n LYS 145 Cb 0.56 -2.11 -0.16 0.00 0.02 0.00 0.00 35.03 33.34 3kgl n LYS 145 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3kgl s VAL 146 N -0.73 0.92 0.26 3.15 1.01 -1.26 -4.07 120.40 119.67 3kgl s VAL 146 Ca 0.62 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 61.63 3kgl s VAL 146 Cb -0.67 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 3kgl s VAL 146 CO 0.57 -0.33 0.39 -1.83 0.00 0.00 0.00 175.10 173.90 3kgl s GLU 147 N 1.65 3.41 0.49 2.72 -1.05 -0.82 -4.93 118.70 120.17 3kgl s GLU 147 Ca 0.01 -0.75 -0.09 0.00 -0.15 0.00 0.00 54.97 54.00 3kgl s GLU 147 Cb -0.18 -2.86 -0.05 0.00 -0.44 0.00 0.00 34.13 30.60 3kgl s GLU 147 CO -0.13 0.37 0.84 -1.01 0.95 0.00 0.00 175.26 176.28 3kgl s HIS 148 N -2.03 3.54 0.01 4.83 3.76 -1.26 -1.62 115.29 122.52 3kgl s HIS 148 Ca 0.36 1.02 -0.02 0.00 -0.15 0.00 0.00 55.06 56.27 3kgl s HIS 148 Cb -0.09 -2.46 -0.01 0.00 1.11 0.00 0.00 32.58 31.13 3kgl s HIS 148 CO 0.30 -0.31 0.02 0.96 -0.85 0.00 0.00 174.74 174.86 3kgl s ILE 149 N -2.70 0.07 0.09 0.60 -4.36 0.66 -4.86 121.20 110.71 3kgl s ILE 149 Ca 0.51 -0.59 -0.03 0.00 -0.26 0.00 0.00 60.65 60.27 3kgl s ILE 149 Cb -0.10 -0.24 -0.03 0.00 1.25 0.00 0.00 42.46 43.34 3kgl s ILE 149 CO 0.41 -0.33 0.06 0.00 0.24 0.00 0.00 174.94 175.33 3kgl s ARG 150 N -1.00 0.81 0.34 0.37 1.70 -1.26 -1.40 118.95 118.51 3kgl s ARG 150 Ca -0.11 -1.25 -0.26 0.00 -0.47 0.00 0.00 55.73 53.64 3kgl s ARG 150 Cb -0.07 0.26 -0.13 0.00 -0.57 0.00 0.00 34.95 34.44 3kgl s ARG 150 CO -0.00 -0.22 0.83 2.41 -1.08 0.00 0.00 175.30 177.24 3kgl n THR 151 N -0.02 2.02 0.00 4.99 -1.04 -1.20 -1.82 114.28 117.21 3kgl n THR 151 Ca -0.11 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.40 3kgl n THR 151 Cb 0.62 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 68.34 3kgl n THR 151 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kgl n GLY 152 N 1.45 3.00 3.67 3.41 0.00 -1.06 -4.81 105.19 110.85 3kgl n GLY 152 Ca 0.11 -0.40 -0.45 0.00 0.00 0.00 0.00 46.02 45.28 3kgl n GLY 152 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kgl n ASP 153 N 0.43 2.94 -4.08 1.61 8.00 -0.76 -2.00 116.55 122.70 3kgl n ASP 153 Ca 0.00 1.11 -0.32 0.00 0.71 0.00 0.00 54.79 56.29 3kgl n ASP 153 Cb 0.00 -1.43 -0.16 0.00 -0.02 0.00 0.00 41.12 39.51 3kgl n ASP 153 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kgl s THR 154 N 0.45 1.97 -0.15 -3.53 2.01 0.06 -1.38 115.64 115.07 3kgl s THR 154 Ca 0.74 -1.04 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 3kgl s THR 154 Cb -0.67 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 69.95 3kgl s THR 154 CO 0.43 0.38 -0.11 -0.63 -0.69 0.00 0.00 174.62 174.00 3kgl s ILE 155 N 1.29 3.19 -0.08 1.82 1.09 0.45 -2.65 121.20 126.31 3kgl s ILE 155 Ca 0.02 -0.60 -0.13 0.00 -1.10 0.00 0.00 60.65 58.84 3kgl s ILE 155 Cb -0.15 -2.37 -0.05 0.00 -1.06 0.00 0.00 42.46 38.84 3kgl s ILE 155 CO -0.11 0.51 0.31 0.00 -0.10 0.00 0.00 174.94 175.55 3kgl s ALA 156 N 0.52 3.70 -0.06 9.38 0.00 -0.57 -0.36 121.76 134.37 3kgl s ALA 156 Ca -0.07 -0.39 -0.01 0.00 0.00 0.00 0.00 51.96 51.49 3kgl s ALA 156 Cb -0.15 -2.30 0.03 0.00 0.00 0.00 0.00 23.12 20.70 3kgl s ALA 156 CO 0.04 0.39 -0.01 0.99 0.00 0.00 0.00 175.76 177.17 3kgl s THR 157 N -0.57 0.38 0.72 0.00 2.01 -0.64 -4.89 115.64 112.64 3kgl s THR 157 Ca 0.20 0.08 -0.11 0.00 0.31 0.00 0.00 61.69 62.17 3kgl s THR 157 Cb -0.14 -0.52 0.03 0.00 0.01 0.00 0.00 72.50 71.88 3kgl s THR 157 CO 0.08 0.25 1.08 -2.28 -0.69 0.00 0.00 174.62 173.06 3kgl s HIS 158 N 1.74 2.81 0.28 4.92 2.46 -1.26 -1.58 115.29 124.66 3kgl s HIS 158 Ca 0.01 1.50 -0.30 0.00 0.47 0.00 0.00 55.06 56.75 3kgl s HIS 158 Cb -0.13 -2.99 -0.10 0.00 -0.13 0.00 0.00 32.58 29.22 3kgl s HIS 158 CO -0.04 -1.53 1.47 -2.14 -2.47 0.00 0.00 174.74 170.03 3kgl s PRO 159 N -4.81 4.23 0.00 2.88 0.02 -1.26 -2.98 135.00 133.07 3kgl s PRO 159 Ca 0.61 2.39 0.00 0.00 0.02 0.00 0.00 61.00 64.01 3kgl s PRO 159 Cb -0.16 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.29 3kgl s PRO 159 CO 0.53 -0.46 0.00 0.41 -0.33 0.00 0.00 177.00 177.15 3kgl n GLY 160 N 1.90 0.30 3.66 0.52 0.00 -0.73 -4.97 105.19 105.86 3kgl n GLY 160 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3kgl n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kgl s VAL 161 N -2.00 5.18 0.23 1.61 1.01 -1.16 -4.87 120.40 120.41 3kgl s VAL 161 Ca 0.00 0.72 -0.30 0.00 0.00 0.00 0.00 61.98 62.40 3kgl s VAL 161 Cb 0.00 -3.74 -0.09 0.00 0.00 0.00 0.00 36.38 32.55 3kgl s VAL 161 CO 0.00 0.22 1.22 0.00 0.00 0.00 0.00 175.10 176.54 3kgl s ALA 162 N 1.49 3.46 -0.00 5.51 0.00 -1.23 -4.43 121.76 126.56 3kgl s ALA 162 Ca 0.19 1.02 0.03 0.00 0.00 0.00 0.00 51.96 53.20 3kgl s ALA 162 Cb -0.15 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 3kgl s ALA 162 CO 0.08 -0.40 -0.09 -0.65 0.00 0.00 0.00 175.76 174.70 3kgl s GLN 163 N -0.73 0.70 0.06 0.00 -0.21 -0.15 -1.94 119.66 117.39 3kgl s GLN 163 Ca 0.51 -0.35 0.03 0.00 0.02 0.00 0.00 55.36 55.57 3kgl s GLN 163 Cb -0.34 -0.67 -0.03 0.00 1.00 0.00 0.00 33.01 32.97 3kgl s GLN 163 CO 0.41 0.18 -0.08 1.67 -2.12 0.00 0.00 175.29 175.34 3kgl s TRP 164 N -0.28 0.81 0.09 0.91 1.48 -0.94 -2.29 118.94 118.73 3kgl s TRP 164 Ca 0.03 -0.60 0.07 0.00 -1.06 0.00 0.00 56.10 54.54 3kgl s TRP 164 Cb -0.04 -0.47 -0.03 0.00 -1.16 0.00 0.00 33.47 31.77 3kgl s TRP 164 CO -0.00 -0.07 -0.19 -0.06 -4.06 0.00 0.00 176.95 172.56 3kgl s PHE 165 N -1.94 1.62 -0.04 1.66 0.08 -0.69 -2.36 117.98 116.31 3kgl s PHE 165 Ca -0.03 -0.43 -0.01 0.00 0.12 0.00 0.00 56.93 56.57 3kgl s PHE 165 Cb -0.06 -0.89 0.03 0.00 -0.57 0.00 0.00 43.02 41.53 3kgl s PHE 165 CO -0.01 0.16 0.07 -0.47 -0.10 0.00 0.00 175.22 174.88 3kgl s TYR 166 N -1.20 -0.03 -0.84 0.36 5.04 0.06 0.92 117.35 121.66 3kgl s TYR 166 Ca 0.04 0.27 -0.21 0.00 -2.44 0.00 0.00 57.07 54.73 3kgl s TYR 166 Cb -0.10 -0.23 0.10 0.00 0.35 0.00 0.00 41.96 42.08 3kgl s TYR 166 CO 0.04 -0.14 1.11 1.21 -1.34 0.00 0.00 175.55 176.43 3kgl s ASN 167 N 1.32 6.43 0.03 4.32 3.04 -0.59 0.15 114.94 129.65 3kgl s ASN 167 Ca -0.06 -1.54 0.28 0.00 0.04 0.00 0.00 52.86 51.58 3kgl s ASN 167 Cb -0.12 -2.43 1.17 0.00 -1.54 0.00 0.00 41.25 38.33 3kgl s ASN 167 CO -0.04 -1.28 1.90 -0.90 -3.04 0.00 0.00 177.10 173.74 3kgl n ASP 168 N 7.34 0.12 -1.82 -4.21 5.68 -1.26 -0.63 116.55 121.76 3kgl n ASP 168 Ca 0.14 0.51 0.00 0.00 -0.50 0.00 0.00 54.79 54.94 3kgl n ASP 168 Cb 0.48 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 3kgl n ASP 168 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kgl n GLY 169 N 1.46 0.38 0.08 6.12 0.00 -1.26 -4.85 105.19 107.12 3kgl n GLY 169 Ca 0.07 -1.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.14 3kgl n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kgl n ASN 170 N -1.69 1.94 -4.89 1.61 4.13 -1.26 -4.32 115.26 110.78 3kgl n ASN 170 Ca 0.00 -0.04 -0.30 0.00 1.68 0.00 0.00 54.58 55.92 3kgl n ASN 170 Cb 0.00 0.37 -0.04 0.00 -1.54 0.00 0.00 39.78 38.57 3kgl n ASN 170 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3kgl s GLN 171 N -2.35 3.70 0.23 3.52 -0.21 -1.26 -4.59 119.66 118.70 3kgl s GLN 171 Ca -0.15 0.15 -0.31 0.00 0.02 0.00 0.00 55.36 55.08 3kgl s GLN 171 Cb 0.05 -2.61 -0.14 0.00 1.00 0.00 0.00 33.01 31.31 3kgl s GLN 171 CO 0.52 0.20 1.27 -2.30 -2.12 0.00 0.00 175.29 172.86 3kgl n PRO 172 N -0.76 1.66 -3.21 2.91 -0.02 -1.26 -4.62 135.00 129.69 3kgl n PRO 172 Ca -0.00 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.66 3kgl n PRO 172 Cb 0.53 -2.15 -0.07 0.00 -0.02 0.00 0.00 33.50 31.79 3kgl n PRO 172 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kgl s LEU 173 N 0.26 4.16 -0.34 2.45 2.96 0.44 -3.86 118.68 124.75 3kgl s LEU 173 Ca 0.68 0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 54.89 3kgl s LEU 173 Cb -0.72 -2.67 0.07 0.00 0.50 0.00 0.00 46.19 43.37 3kgl s LEU 173 CO 0.53 -0.39 0.08 -0.69 -1.32 0.00 0.00 176.35 174.56 3kgl s VAL 174 N 2.41 3.15 -0.11 1.68 1.01 0.40 -0.46 120.40 128.48 3kgl s VAL 174 Ca 0.21 -1.61 -0.04 0.00 0.00 0.00 0.00 61.98 60.53 3kgl s VAL 174 Cb -0.15 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 3kgl s VAL 174 CO 0.11 -0.33 0.06 -0.63 0.00 0.00 0.00 175.10 174.31 3kgl s ILE 175 N 1.22 4.80 -0.05 2.22 1.09 -0.99 -0.24 121.20 129.24 3kgl s ILE 175 Ca 0.00 -0.06 -0.00 0.00 -1.10 0.00 0.00 60.65 59.49 3kgl s ILE 175 Cb -0.21 -3.07 0.03 0.00 -1.06 0.00 0.00 42.46 38.15 3kgl s ILE 175 CO -0.02 0.59 -0.01 0.54 -0.10 0.00 0.00 174.94 175.94 3kgl s VAL 176 N -0.74 0.34 -0.11 2.92 0.11 0.07 0.37 120.40 123.36 3kgl s VAL 176 Ca 0.12 0.07 -0.18 0.00 -2.93 0.00 0.00 61.98 59.06 3kgl s VAL 176 Cb -0.12 -0.45 0.04 0.00 -1.53 0.00 0.00 36.38 34.32 3kgl s VAL 176 CO 0.03 0.22 0.46 -0.94 -3.33 0.00 0.00 175.10 171.54 3kgl s SER 177 N 1.47 -0.44 0.18 3.54 1.04 -0.26 0.17 113.70 119.41 3kgl s SER 177 Ca -0.03 0.68 -0.03 0.00 0.48 0.00 0.00 55.95 57.05 3kgl s SER 177 Cb -0.13 0.72 -0.05 0.00 0.10 0.00 0.00 66.02 66.66 3kgl s SER 177 CO -0.03 -0.32 0.39 0.54 0.98 0.00 0.00 173.24 174.81 3kgl s VAL 178 N -0.42 5.18 -0.13 5.02 0.11 -1.02 -1.14 120.40 128.01 3kgl s VAL 178 Ca -0.06 -0.17 0.02 0.00 -2.93 0.00 0.00 61.98 58.85 3kgl s VAL 178 Cb -0.03 -3.68 0.01 0.00 -1.53 0.00 0.00 36.38 31.15 3kgl s VAL 178 CO 0.03 -0.08 -0.19 -0.76 -3.33 0.00 0.00 175.10 170.76 3kgl s LEU 179 N -3.03 1.96 -0.78 2.54 1.43 -0.24 -2.37 118.68 118.18 3kgl s LEU 179 Ca 0.40 -0.54 -0.24 0.00 -1.03 0.00 0.00 54.13 52.72 3kgl s LEU 179 Cb -0.12 -1.31 0.06 0.00 0.03 0.00 0.00 46.19 44.85 3kgl s LEU 179 CO 0.27 0.05 1.19 -0.62 0.23 0.00 0.00 176.35 177.47 3kgl s ASP 180 N 0.91 6.27 0.03 2.29 2.15 -0.83 -1.27 116.67 126.23 3kgl s ASP 180 Ca -0.06 -0.97 -0.17 0.00 0.43 0.00 0.00 52.55 51.79 3kgl s ASP 180 Cb -0.15 -2.50 -0.29 0.00 -0.30 0.00 0.00 42.92 39.68 3kgl s ASP 180 CO -0.02 -1.57 1.06 -0.07 -0.17 0.00 0.00 175.17 174.40 3kgl h LEU 181 N 12.16 0.79 -0.02 -1.34 4.07 -0.91 -3.33 115.31 126.73 3kgl h LEU 181 Ca -0.15 -0.84 0.00 0.00 0.08 0.00 0.00 57.88 56.96 3kgl h LEU 181 Cb 1.05 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.54 3kgl h LEU 181 CO 1.26 1.55 -0.13 0.00 -1.08 0.00 0.00 178.44 180.04 3kgl n ALA 182 N -2.67 2.66 -1.64 1.53 0.00 -0.69 -4.74 120.51 114.96 3kgl n ALA 182 Ca -0.14 -0.18 -0.36 0.00 0.00 0.00 0.00 53.44 52.77 3kgl n ALA 182 Cb 0.94 -1.38 0.07 0.00 0.00 0.00 0.00 19.45 19.08 3kgl n ALA 182 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kgl s SER 183 N -2.92 4.63 0.00 0.00 0.15 -1.25 -4.91 113.70 109.41 3kgl s SER 183 Ca 0.16 2.51 0.27 0.00 0.70 0.00 0.00 55.95 59.59 3kgl s SER 183 Cb 0.19 -2.61 1.25 0.00 -1.71 0.00 0.00 66.02 63.14 3kgl s SER 183 CO 0.56 -1.98 1.89 0.00 1.20 0.00 0.00 173.24 174.91 3kgl n HIS 184 N -2.03 0.00 0.22 3.44 1.44 -1.26 -2.55 115.22 114.48 3kgl n HIS 184 Ca 0.15 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.95 3kgl n HIS 184 Cb 0.49 -0.40 0.45 0.00 0.12 0.00 0.00 29.99 30.65 3kgl n HIS 184 CO 0.00 0.00 0.00 1.96 -2.81 0.00 0.00 176.34 175.49 3kgl h GLN 185 N 0.00 0.00 -5.72 -1.40 4.20 -1.91 -3.39 115.11 106.89 3kgl h GLN 185 Ca 0.00 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.10 3kgl h GLN 185 Cb 0.36 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.02 3kgl h GLN 185 CO 0.00 0.26 0.60 1.21 -0.67 0.00 0.00 178.83 180.22 3kgl s ASN 186 N -6.27 6.25 -0.13 1.46 2.47 -1.06 -4.73 114.94 112.94 3kgl s ASN 186 Ca -0.00 -0.63 0.15 0.00 0.42 0.00 0.00 52.86 52.80 3kgl s ASN 186 Cb 0.11 -2.44 0.66 0.00 -1.45 0.00 0.00 41.25 38.13 3kgl s ASN 186 CO 0.65 -1.37 1.55 0.00 -3.72 0.00 0.00 177.10 174.20 3kgl n GLN 187 N 7.73 3.68 0.00 0.43 6.02 -1.26 -4.58 117.38 129.39 3kgl n GLN 187 Ca -0.01 -2.59 0.00 0.00 -0.01 0.00 0.00 57.00 54.40 3kgl n GLN 187 Cb 0.47 -1.92 0.00 0.00 1.02 0.00 0.00 30.24 29.81 3kgl n GLN 187 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3kgl n LEU 188 N 0.87 0.00 -3.81 1.08 4.32 -1.26 -5.14 117.00 113.06 3kgl n LEU 188 Ca 0.23 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 56.10 3kgl n LEU 188 Cb 0.87 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.58 3kgl n LEU 188 CO 0.23 0.00 -0.07 -0.62 -1.22 0.00 0.00 177.39 175.71 3kgl s ASP 189 N -0.87 -0.13 -0.84 -1.43 3.68 -1.26 -5.03 116.67 110.79 3kgl s ASP 189 Ca 0.00 0.09 -0.07 0.00 2.13 0.00 0.00 52.55 54.70 3kgl s ASP 189 Cb 0.00 0.33 -0.06 0.00 -1.45 0.00 0.00 42.92 41.74 3kgl s ASP 189 CO 0.00 -0.33 2.01 -1.14 0.13 0.00 0.00 175.17 175.84 3kgl n ARG 190 N 1.76 1.87 -3.68 4.34 3.00 -1.26 -4.74 116.66 117.95 3kgl n ARG 190 Ca -0.20 -1.44 -0.12 0.00 -0.00 0.00 0.00 57.85 56.10 3kgl n ARG 190 Cb 0.56 -2.47 -0.09 0.00 0.00 0.00 0.00 32.46 30.46 3kgl n ARG 190 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 3kgl s ASN 191 N 3.71 -0.61 -0.06 6.15 0.01 -1.26 -5.05 114.94 117.82 3kgl s ASN 191 Ca 0.39 1.11 -0.29 0.00 -0.71 0.00 0.00 52.86 53.35 3kgl s ASN 191 Cb 0.10 1.07 -0.07 0.00 0.41 0.00 0.00 41.25 42.75 3kgl s ASN 191 CO -0.01 -0.20 2.08 -2.84 -1.51 0.00 0.00 177.10 174.62 3kgl s PRO 192 N 0.76 3.73 -0.63 -0.60 0.02 -1.26 -4.94 135.00 132.08 3kgl s PRO 192 Ca -0.04 2.39 0.05 0.00 0.02 0.00 0.00 61.00 63.42 3kgl s PRO 192 Cb -0.05 -4.25 0.16 0.00 0.02 0.00 0.00 34.50 30.38 3kgl s PRO 192 CO -0.06 -1.42 0.44 1.03 -0.33 0.00 0.00 177.00 176.66 3kgl s ARG 193 N 5.23 2.11 0.12 5.54 0.52 -1.26 -4.92 118.95 126.29 3kgl s ARG 193 Ca 0.94 -3.02 -0.31 0.00 -0.52 0.00 0.00 55.73 52.82 3kgl s ARG 193 Cb -0.39 -3.02 -0.08 0.00 0.52 0.00 0.00 34.95 31.98 3kgl s ARG 193 CO 0.39 -1.28 1.36 -2.14 0.02 0.00 0.00 175.30 173.65 3kgl s PRO 194 N -1.03 4.34 -0.34 3.54 0.02 -1.26 -4.07 135.00 136.20 3kgl s PRO 194 Ca 0.25 2.04 -0.09 0.00 0.02 0.00 0.00 61.00 63.22 3kgl s PRO 194 Cb -0.06 -3.25 0.02 0.00 0.02 0.00 0.00 34.50 31.23 3kgl s PRO 194 CO -0.15 -0.41 0.15 -0.06 -0.33 0.00 0.00 177.00 176.21 3kgl s PHE 195 N 1.03 3.21 -0.14 6.54 0.08 -0.35 -4.99 117.98 123.36 3kgl s PHE 195 Ca 0.63 -0.96 -0.21 0.00 0.12 0.00 0.00 56.93 56.52 3kgl s PHE 195 Cb -0.36 -2.36 -0.03 0.00 -0.57 0.00 0.00 43.02 39.70 3kgl s PHE 195 CO 0.31 -0.61 0.63 0.71 -0.10 0.00 0.00 175.22 176.16 3kgl s TYR 196 N 1.53 3.47 0.06 0.36 2.02 -1.26 -1.94 117.35 121.59 3kgl s TYR 196 Ca 0.02 1.03 -0.16 0.00 -0.37 0.00 0.00 57.07 57.59 3kgl s TYR 196 Cb -0.18 -2.76 -0.19 0.00 -0.40 0.00 0.00 41.96 38.43 3kgl s TYR 196 CO 0.05 -0.03 1.23 -0.07 -1.57 0.00 0.00 175.55 175.17 3kgl h LEU 197 N 7.46 0.76 0.00 -1.29 4.07 -1.45 -0.55 115.31 124.32 3kgl h LEU 197 Ca -0.36 -0.66 0.00 0.00 0.08 0.00 0.00 57.88 56.93 3kgl h LEU 197 Cb 1.17 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.68 3kgl h LEU 197 CO 0.77 1.31 -0.70 0.00 -1.08 0.00 0.00 178.44 178.73 3kgl n ALA 198 N -2.59 2.91 -1.66 1.53 0.00 -1.26 -4.26 120.51 115.19 3kgl n ALA 198 Ca -0.08 0.00 -0.54 0.00 0.00 0.00 0.00 53.44 52.81 3kgl n ALA 198 Cb 0.69 0.35 -0.06 0.00 0.00 0.00 0.00 19.45 20.43 3kgl n ALA 198 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kgl n GLY 199 N 2.58 0.75 3.84 0.00 0.00 -1.26 -4.58 105.19 106.52 3kgl n GLY 199 Ca 0.00 0.82 -0.37 0.00 0.00 0.00 0.00 46.02 46.47 3kgl n GLY 199 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kgl s ASN 200 N 2.20 6.78 -0.25 1.61 2.47 -1.26 -3.34 114.94 123.14 3kgl s ASN 200 Ca 0.91 0.94 -0.02 0.00 0.42 0.00 0.00 52.86 55.12 3kgl s ASN 200 Cb -0.98 -2.24 0.08 0.00 -1.45 0.00 0.00 41.25 36.66 3kgl s ASN 200 CO 0.56 0.27 0.05 0.21 -3.72 0.00 0.00 177.10 174.47 3kgl s ASN 201 N -1.31 3.50 0.33 -4.21 3.04 0.45 -3.31 114.94 113.43 3kgl s ASN 201 Ca 0.27 -1.21 0.00 0.00 0.04 0.00 0.00 52.86 51.97 3kgl s ASN 201 Cb -0.16 -0.76 0.55 0.00 -1.54 0.00 0.00 41.25 39.33 3kgl s ASN 201 CO 0.15 -0.35 1.98 -0.65 -3.04 0.00 0.00 177.10 175.20 3kgl h PRO 202 N 8.15 0.93 0.00 0.43 0.11 -1.87 0.43 132.00 140.18 3kgl h PRO 202 Ca -0.15 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.83 3kgl h PRO 202 Cb 1.07 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 3kgl h PRO 202 CO 0.40 0.63 -0.27 1.96 -0.21 0.00 0.00 178.00 180.51 3kgl h GLN 203 N 0.95 0.00 0.00 1.05 4.20 -1.94 -3.37 115.11 116.00 3kgl h GLN 203 Ca 0.25 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.98 3kgl h GLN 203 Cb -0.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 3kgl h GLN 203 CO -0.05 0.27 -0.02 0.41 -0.67 0.00 0.00 178.83 178.77 3kgl n GLY 204 N -0.30 -2.15 2.96 3.46 0.00 -1.10 -4.41 105.19 103.64 3kgl n GLY 204 Ca -0.01 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 3kgl n GLY 204 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kgl n GLN 205 N -0.76 2.20 0.00 1.61 6.02 -1.26 -4.68 117.38 120.51 3kgl n GLN 205 Ca 0.00 -2.27 0.08 0.00 -0.01 0.00 0.00 57.00 54.79 3kgl n GLN 205 Cb 0.03 -3.14 0.36 0.00 1.02 0.00 0.00 30.24 28.51 3kgl n GLN 205 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3kgl n VAL 206 N 5.65 0.76 1.02 5.09 0.24 -1.26 -2.24 118.33 127.58 3kgl n VAL 206 Ca 0.51 0.19 0.11 0.00 -2.04 0.00 0.00 64.34 63.10 3kgl n VAL 206 Cb 0.40 -0.93 0.02 0.00 -1.47 0.00 0.00 33.84 31.87 3kgl n VAL 206 CO 0.00 0.00 0.00 -2.67 -2.14 0.00 0.00 176.83 172.02 3kgl n TRP 207 N -1.40 0.00 -4.12 6.34 2.14 -1.26 -4.83 117.44 114.31 3kgl n TRP 207 Ca 0.05 0.00 -0.36 0.00 2.07 0.00 0.00 57.50 59.27 3kgl n TRP 207 Cb 0.15 -0.07 -0.08 0.00 -0.81 0.00 0.00 31.31 30.51 3kgl n TRP 207 CO 0.00 0.00 0.00 0.42 2.07 0.00 0.00 177.69 180.18 3kgl s ILE 208 N -2.87 4.85 0.28 -1.67 1.01 -0.95 -4.87 121.20 116.97 3kgl s ILE 208 Ca 0.12 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.74 3kgl s ILE 208 Cb 0.17 -3.10 0.10 0.00 0.01 0.00 0.00 42.46 39.64 3kgl s ILE 208 CO 0.75 0.58 1.77 -0.08 0.00 0.00 0.00 174.94 177.96 3kgl h GLU 209 N 5.41 0.64 -0.85 2.79 4.57 -1.88 -3.16 114.58 122.10 3kgl h GLU 209 Ca -0.49 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 57.50 3kgl h GLU 209 Cb 1.20 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 3kgl h GLU 209 CO 0.59 0.72 0.00 0.41 -1.18 0.00 0.00 179.01 179.55 3kgl n GLY 210 N -0.59 1.88 0.13 1.92 0.00 -1.26 -4.51 105.19 102.77 3kgl n GLY 210 Ca 0.01 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 3kgl n GLY 210 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3kgl h ARG 211 N 1.23 -0.22 -0.76 1.61 1.12 -1.81 -3.48 114.38 112.08 3kgl h ARG 211 Ca 0.00 0.01 -0.15 0.00 -1.11 0.00 0.00 59.98 58.74 3kgl h ARG 211 Cb 0.93 0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 30.91 3kgl h ARG 211 CO 0.15 0.20 -0.17 0.39 -3.11 0.00 0.00 179.97 177.43 3kgl n GLU 212 N -4.97 -0.55 -1.27 0.20 -0.58 -1.26 -3.84 120.64 108.37 3kgl n GLU 212 Ca -0.08 0.52 -0.09 0.00 -0.42 0.00 0.00 57.16 57.08 3kgl n GLU 212 Cb 0.26 -4.39 -0.04 0.00 -0.57 0.00 0.00 31.44 26.70 3kgl n GLU 212 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3kgl n GLN 213 N -2.15 -0.67 -1.70 3.49 6.02 -1.26 -5.01 117.38 116.10 3kgl n GLN 213 Ca -0.08 0.83 -0.31 0.00 -0.01 0.00 0.00 57.00 57.43 3kgl n GLN 213 Cb 0.43 -4.73 0.03 0.00 1.02 0.00 0.00 30.24 26.99 3kgl n GLN 213 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3kgl s GLN 214 N -2.79 3.19 0.43 -1.09 -0.21 -1.25 -4.93 119.66 113.00 3kgl s GLN 214 Ca 0.00 0.89 -0.12 0.00 0.02 0.00 0.00 55.36 56.15 3kgl s GLN 214 Cb 0.00 -2.02 -0.07 0.00 1.00 0.00 0.00 33.01 31.92 3kgl s GLN 214 CO 0.00 -0.90 0.82 -1.25 -2.12 0.00 0.00 175.29 171.85 3kgl s PRO 215 N -5.04 3.84 -0.33 2.91 0.05 -1.26 -3.83 135.00 131.33 3kgl s PRO 215 Ca 0.57 0.61 -0.04 0.00 0.05 0.00 0.00 61.00 62.20 3kgl s PRO 215 Cb -0.13 -2.33 0.06 0.00 0.05 0.00 0.00 34.50 32.15 3kgl s PRO 215 CO 0.54 -0.08 0.07 -1.14 0.05 0.00 0.00 177.00 176.44 3kgl s GLN 216 N -3.83 2.43 0.47 4.56 0.74 0.15 -4.83 119.66 119.35 3kgl s GLN 216 Ca 0.53 -1.33 0.02 0.00 0.05 0.00 0.00 55.36 54.64 3kgl s GLN 216 Cb -0.10 -3.35 0.01 0.00 1.10 0.00 0.00 33.01 30.66 3kgl s GLN 216 CO 0.30 -0.72 0.67 -1.59 -0.55 0.00 0.00 175.29 173.40 3kgl s LYS 217 N 1.29 2.87 1.03 1.67 0.00 -1.26 -0.41 119.74 124.93 3kgl s LYS 217 Ca -0.02 -0.73 -0.14 0.00 0.00 0.00 0.00 55.97 55.09 3kgl s LYS 217 Cb -0.20 -2.59 0.21 0.00 0.00 0.00 0.00 37.83 35.24 3kgl s LYS 217 CO -0.00 -0.38 1.10 0.54 0.00 0.00 0.00 175.35 176.62 3kgl s ASN 218 N -4.29 2.35 0.17 0.03 2.20 -1.21 -4.77 114.94 109.41 3kgl s ASN 218 Ca 0.52 1.03 -0.11 0.00 -0.94 0.00 0.00 52.86 53.35 3kgl s ASN 218 Cb -0.10 -1.60 0.07 0.00 -2.00 0.00 0.00 41.25 37.61 3kgl s ASN 218 CO 0.37 -3.28 1.69 0.40 -2.94 0.00 0.00 177.10 173.34 3kgl h ILE 219 N -2.00 1.24 -1.00 0.54 2.04 -1.27 -2.97 117.51 114.10 3kgl h ILE 219 Ca -0.53 -0.85 0.03 0.00 1.00 0.00 0.00 64.86 64.52 3kgl h ILE 219 Cb 1.33 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 38.03 3kgl h ILE 219 CO 0.54 0.32 0.65 -0.07 0.00 0.00 0.00 178.15 179.59 3kgl h LEU 220 N 0.84 1.10 -1.70 1.44 -0.00 -1.83 0.19 115.31 115.34 3kgl h LEU 220 Ca 0.19 -0.01 0.12 0.00 -0.00 0.00 0.00 57.88 58.18 3kgl h LEU 220 Cb 0.31 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 40.70 3kgl h LEU 220 CO -0.00 0.76 0.60 -1.13 -0.00 0.00 0.00 178.44 178.67 3kgl h ASN 221 N 1.28 0.00 -0.29 -0.43 -0.73 -1.73 -2.71 115.58 110.96 3kgl h ASN 221 Ca 0.39 0.00 -0.16 0.00 1.87 0.00 0.00 56.30 58.40 3kgl h ASN 221 Cb -0.02 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.57 3kgl h ASN 221 CO -0.12 0.00 -0.46 1.23 -0.37 0.00 0.00 177.43 177.72 3kgl h GLY 222 N 0.00 0.90 -1.96 1.57 0.00 -0.71 -3.45 103.07 99.42 3kgl h GLY 222 Ca 0.20 -1.01 -0.49 0.00 0.00 0.00 0.00 47.33 46.03 3kgl h GLY 222 CO -0.00 0.91 0.22 -1.36 0.00 0.00 0.00 176.54 176.31 3kgl s PHE 223 N -4.19 3.54 0.48 5.60 0.08 -1.02 -5.03 117.98 117.43 3kgl s PHE 223 Ca -0.11 1.08 -0.24 0.00 0.12 0.00 0.00 56.93 57.78 3kgl s PHE 223 Cb 0.10 -2.50 -0.07 0.00 -0.57 0.00 0.00 43.02 39.97 3kgl s PHE 223 CO 0.87 -0.34 1.33 0.95 -0.10 0.00 0.00 175.22 177.93 3kgl s THR 224 N -2.72 2.39 0.47 0.64 -4.23 -1.26 -4.85 115.64 106.06 3kgl s THR 224 Ca 0.52 0.31 0.21 0.00 -1.18 0.00 0.00 61.69 61.55 3kgl s THR 224 Cb -0.10 -3.17 0.25 0.00 1.34 0.00 0.00 72.50 70.81 3kgl s THR 224 CO 0.41 0.02 2.07 -0.65 -0.54 0.00 0.00 174.62 175.93 3kgl h PRO 225 N 2.04 0.00 -0.14 3.99 0.11 -1.94 -1.41 132.00 134.65 3kgl h PRO 225 Ca -0.50 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3kgl h PRO 225 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3kgl h PRO 225 CO 0.60 0.12 0.00 0.93 -0.21 0.00 0.00 178.00 179.44 3kgl h GLU 226 N 0.00 0.25 -0.11 1.05 3.07 -1.91 0.73 114.58 117.66 3kgl h GLU 226 Ca -0.00 -0.08 -0.09 0.00 -0.50 0.00 0.00 59.36 58.69 3kgl h GLU 226 Cb 0.25 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 3kgl h GLU 226 CO 0.02 0.47 -0.33 -0.24 -1.40 0.00 0.00 179.01 177.53 3kgl h VAL 227 N -0.00 1.27 -0.30 3.13 3.04 -1.79 0.23 116.25 121.83 3kgl h VAL 227 Ca 0.04 -1.29 -0.11 0.00 -1.01 0.00 0.00 66.70 64.34 3kgl h VAL 227 Cb 0.36 1.55 -0.01 0.00 -2.01 0.00 0.00 31.29 31.18 3kgl h VAL 227 CO 0.01 0.39 -0.26 0.25 -1.01 0.00 0.00 177.57 176.94 3kgl h LEU 228 N 0.18 0.61 0.26 3.16 5.85 -1.05 -1.13 115.31 123.19 3kgl h LEU 228 Ca 0.02 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 3kgl h LEU 228 Cb 0.67 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3kgl h LEU 228 CO 0.05 0.85 -0.13 0.00 -0.34 0.00 0.00 178.44 178.88 3kgl h ALA 229 N 1.19 -0.35 -0.52 1.25 0.00 0.01 -2.46 119.26 118.38 3kgl h ALA 229 Ca 0.07 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.94 3kgl h ALA 229 Cb 0.73 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3kgl h ALA 229 CO 0.06 -0.51 0.41 0.87 0.00 0.00 0.00 179.25 180.08 3kgl h LYS 230 N -0.73 0.00 0.00 0.00 1.57 -0.44 0.33 116.57 117.29 3kgl h LYS 230 Ca -0.04 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.57 3kgl h LYS 230 Cb 0.49 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 3kgl h LYS 230 CO 0.06 0.00 -0.98 0.00 -0.57 0.00 0.00 179.45 177.96 3kgl h ALA 231 N 1.67 0.20 0.00 3.86 0.00 -1.20 -3.33 119.26 120.45 3kgl h ALA 231 Ca 0.25 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3kgl h ALA 231 Cb 1.07 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3kgl h ALA 231 CO -0.00 0.56 0.00 1.19 0.00 0.00 0.00 179.25 181.00 3kgl n PHE 232 N -4.48 0.00 -3.35 0.00 3.72 -0.93 -4.92 117.46 107.50 3kgl n PHE 232 Ca -0.26 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 56.98 3kgl n PHE 232 Cb 0.61 -0.29 0.03 0.00 -0.94 0.00 0.00 39.48 38.89 3kgl n PHE 232 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3kgl n LYS 233 N -1.29 -1.61 -4.23 -1.08 5.02 0.01 -5.04 118.16 109.93 3kgl n LYS 233 Ca 0.11 0.96 -0.17 0.00 -2.02 0.00 0.00 58.31 57.18 3kgl n LYS 233 Cb 0.19 -5.02 -0.08 0.00 -0.02 0.00 0.00 35.03 30.09 3kgl n LYS 233 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3kgl s ILE 234 N -3.24 0.00 0.35 -0.18 -4.36 -0.61 -5.04 121.20 108.12 3kgl s ILE 234 Ca 0.27 -1.92 -0.27 0.00 -0.26 0.00 0.00 60.65 58.46 3kgl s ILE 234 Cb -0.06 -2.52 -0.09 0.00 1.25 0.00 0.00 42.46 41.04 3kgl s ILE 234 CO 0.79 0.00 1.20 -1.81 0.24 0.00 0.00 174.94 175.36 3kgl s ASP 235 N -3.30 6.75 0.25 4.36 1.11 -1.26 -4.60 116.67 119.97 3kgl s ASP 235 Ca 0.38 2.45 -0.04 0.00 0.18 0.00 0.00 52.55 55.52 3kgl s ASP 235 Cb 0.03 -2.63 0.35 0.00 1.07 0.00 0.00 42.92 41.74 3kgl s ASP 235 CO 0.23 -0.53 1.87 0.58 1.18 0.00 0.00 175.17 178.51 3kgl h VAL 236 N 2.71 1.09 -0.52 -1.27 2.07 -1.94 -1.29 116.25 117.10 3kgl h VAL 236 Ca -0.48 -0.38 0.10 0.00 0.82 0.00 0.00 66.70 66.76 3kgl h VAL 236 Cb 1.23 -0.11 -0.11 0.00 -1.52 0.00 0.00 31.29 30.79 3kgl h VAL 236 CO 0.64 0.20 -0.29 0.03 0.02 0.00 0.00 177.57 178.17 3kgl h ARG 237 N 1.10 -0.16 -0.80 1.57 -0.00 -1.94 -0.34 114.38 113.81 3kgl h ARG 237 Ca 0.40 0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.87 3kgl h ARG 237 Cb 0.13 0.04 -0.04 0.00 0.00 0.00 0.00 29.97 30.10 3kgl h ARG 237 CO -0.16 -0.11 0.43 1.15 0.00 0.00 0.00 179.97 181.28 3kgl h THR 238 N -0.16 1.24 0.31 2.04 2.02 -1.70 -2.84 112.91 113.82 3kgl h THR 238 Ca 0.22 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.79 3kgl h THR 238 Cb 0.52 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 3kgl h THR 238 CO -0.61 0.27 -0.35 0.00 0.37 0.00 0.00 175.52 175.20 3kgl h ALA 239 N 1.23 -0.73 -1.05 6.16 0.00 -0.12 -1.73 119.26 123.02 3kgl h ALA 239 Ca 0.28 -0.11 0.27 0.00 0.00 0.00 0.00 54.91 55.35 3kgl h ALA 239 Cb 0.05 0.52 -0.10 0.00 0.00 0.00 0.00 17.79 18.26 3kgl h ALA 239 CO -0.04 -0.95 0.66 1.96 0.00 0.00 0.00 179.25 180.88 3kgl h GLN 240 N -0.70 0.40 0.00 0.00 4.20 -0.98 0.24 115.11 118.27 3kgl h GLN 240 Ca -0.01 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 3kgl h GLN 240 Cb 0.65 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 3kgl h GLN 240 CO -0.09 0.26 -0.18 1.96 -0.67 0.00 0.00 178.83 180.11 3kgl h GLN 241 N 0.41 0.00 0.00 1.46 4.20 -1.08 -0.78 115.11 119.32 3kgl h GLN 241 Ca 0.61 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.32 3kgl h GLN 241 Cb 1.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.29 3kgl h GLN 241 CO -0.33 0.18 0.00 -0.07 -0.67 0.00 0.00 178.83 177.94 3kgl h LEU 242 N 0.00 0.00 -0.15 1.46 3.38 -0.18 -3.14 115.31 116.69 3kgl h LEU 242 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kgl h LEU 242 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3kgl h LEU 242 CO 0.02 0.00 -0.23 0.00 0.09 0.00 0.00 178.44 178.33 3kgl n GLN 243 N -3.02 0.35 -4.05 1.13 6.02 -0.30 -4.59 117.38 112.91 3kgl n GLN 243 Ca -0.01 -0.15 -0.31 0.00 -0.01 0.00 0.00 57.00 56.53 3kgl n GLN 243 Cb 0.21 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.92 3kgl n GLN 243 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kgl n ASN 244 N -1.20 -0.54 -4.68 1.08 5.03 -1.19 -4.42 115.26 109.35 3kgl n ASN 244 Ca 0.10 -1.10 -0.42 0.00 0.87 0.00 0.00 54.58 54.02 3kgl n ASN 244 Cb 0.32 -1.35 -0.03 0.00 -1.02 0.00 0.00 39.78 37.70 3kgl n ASN 244 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3kgl s GLN 245 N -6.87 4.24 -1.97 3.52 -0.21 -1.26 -3.15 119.66 113.97 3kgl s GLN 245 Ca 0.13 2.00 0.00 0.00 0.02 0.00 0.00 55.36 57.51 3kgl s GLN 245 Cb -0.08 -3.72 0.00 0.00 1.00 0.00 0.00 33.01 30.22 3kgl s GLN 245 CO 0.85 -0.68 0.00 1.04 -2.12 0.00 0.00 175.29 174.38 3kgl n GLN 246 N 6.05 -1.59 -2.18 2.91 3.00 -1.26 -4.96 117.38 119.35 3kgl n GLN 246 Ca 0.15 1.10 -0.42 0.00 -0.01 0.00 0.00 57.00 57.82 3kgl n GLN 246 Cb 0.43 -5.66 -0.03 0.00 0.00 0.00 0.00 30.24 24.98 3kgl n GLN 246 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3kgl s ASP 247 N -2.34 6.81 -0.00 1.08 2.15 -1.19 -4.90 116.67 118.28 3kgl s ASP 247 Ca 0.00 2.14 0.18 0.00 0.43 0.00 0.00 52.55 55.30 3kgl s ASP 247 Cb 0.00 -2.56 -0.20 0.00 -0.30 0.00 0.00 42.92 39.87 3kgl s ASP 247 CO 0.00 -0.76 0.73 0.59 -0.17 0.00 0.00 175.17 175.56 3kgl n ASN 248 N 5.64 0.83 -0.40 -0.34 4.13 -1.26 -4.41 115.26 119.45 3kgl n ASN 248 Ca 0.14 -0.86 0.32 0.00 1.68 0.00 0.00 54.58 55.86 3kgl n ASN 248 Cb 0.43 1.05 0.60 0.00 -1.54 0.00 0.00 39.78 40.32 3kgl n ASN 248 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 3kgl h ARG 249 N 0.00 0.17 0.00 3.52 3.08 -1.90 -3.44 114.38 115.81 3kgl h ARG 249 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3kgl h ARG 249 Cb 0.44 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3kgl h ARG 249 CO 0.00 0.11 0.00 0.41 -1.07 0.00 0.00 179.97 179.42 3kgl n GLY 250 N -1.49 -0.81 0.08 0.04 0.00 -1.21 0.11 105.19 101.91 3kgl n GLY 250 Ca 0.34 -1.30 -0.00 0.00 0.00 0.00 0.00 46.02 45.06 3kgl n GLY 250 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kgl n ASN 251 N 0.53 0.47 -4.31 1.61 2.85 -1.26 -4.19 115.26 110.96 3kgl n ASN 251 Ca 0.00 0.21 -0.46 0.00 -0.11 0.00 0.00 54.58 54.22 3kgl n ASN 251 Cb 0.00 0.75 -0.05 0.00 1.24 0.00 0.00 39.78 41.72 3kgl n ASN 251 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3kgl s ILE 252 N -2.94 5.22 0.08 -1.44 1.01 -1.26 -1.10 121.20 120.77 3kgl s ILE 252 Ca -0.06 -1.54 0.03 0.00 0.00 0.00 0.00 60.65 59.08 3kgl s ILE 252 Cb 0.09 -4.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 3kgl s ILE 252 CO 0.84 -0.88 0.09 0.27 0.00 0.00 0.00 174.94 175.26 3kgl s ILE 253 N 1.55 4.62 0.29 2.92 -4.36 -0.75 -0.00 121.20 125.47 3kgl s ILE 253 Ca 0.04 -0.73 -0.29 0.00 -0.26 0.00 0.00 60.65 59.40 3kgl s ILE 253 Cb -0.29 -3.23 -0.10 0.00 1.25 0.00 0.00 42.46 40.09 3kgl s ILE 253 CO 0.02 0.12 1.30 -0.60 0.24 0.00 0.00 174.94 176.03 3kgl s ARG 254 N -2.41 4.38 0.41 0.37 6.06 -1.26 0.17 118.95 126.67 3kgl s ARG 254 Ca 0.30 2.16 -0.08 0.00 -2.50 0.00 0.00 55.73 55.61 3kgl s ARG 254 Cb -0.12 -3.11 -0.05 0.00 0.06 0.00 0.00 34.95 31.73 3kgl s ARG 254 CO 0.23 -0.19 0.75 0.08 -2.50 0.00 0.00 175.30 173.67 3kgl s VAL 255 N -0.80 4.85 -0.16 7.11 1.01 -0.68 -4.89 120.40 126.85 3kgl s VAL 255 Ca 0.51 0.43 -0.03 0.00 0.00 0.00 0.00 61.98 62.89 3kgl s VAL 255 Cb -0.39 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 3kgl s VAL 255 CO 0.48 -0.60 -0.05 -1.10 0.00 0.00 0.00 175.10 173.83 3kgl s GLN 256 N -4.09 3.59 7.67 2.72 1.11 -1.26 -5.00 119.66 124.40 3kgl s GLN 256 Ca 0.49 -0.56 0.00 0.00 0.01 0.00 0.00 55.36 55.30 3kgl s GLN 256 Cb -0.10 -2.87 0.00 0.00 -1.01 0.00 0.00 33.01 29.03 3kgl s GLN 256 CO 0.35 0.19 0.00 0.41 0.01 0.00 0.00 175.29 176.25 3kgl n GLY 257 N 3.66 3.16 3.70 3.09 0.00 -1.26 -4.81 105.19 112.73 3kgl n GLY 257 Ca -0.18 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 3kgl n GLY 257 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kgl s PRO 258 N 0.00 4.39 -0.46 1.61 0.02 -1.26 -4.98 135.00 134.32 3kgl s PRO 258 Ca 0.00 1.79 0.07 0.00 0.02 0.00 0.00 61.00 62.88 3kgl s PRO 258 Cb 0.00 -3.41 0.40 0.00 0.02 0.00 0.00 34.50 31.51 3kgl s PRO 258 CO 0.00 -0.34 1.03 0.34 -0.33 0.00 0.00 177.00 177.69 3kgl n PHE 259 N 4.37 3.15 -2.19 6.54 -0.00 -1.26 -4.98 117.46 123.09 3kgl n PHE 259 Ca 0.10 -3.36 -0.42 0.00 -0.00 0.00 0.00 57.45 53.76 3kgl n PHE 259 Cb 0.46 -0.25 0.00 0.00 -0.00 0.00 0.00 39.48 39.69 3kgl n PHE 259 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3kgl n SER 260 N -0.32 4.64 0.03 -2.13 3.41 -1.26 -4.78 113.62 113.20 3kgl n SER 260 Ca 0.33 -2.98 -0.07 0.00 -0.26 0.00 0.00 58.87 55.88 3kgl n SER 260 Cb 0.60 -1.57 -0.05 0.00 -0.26 0.00 0.00 64.21 62.93 3kgl n SER 260 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3kgl h VAL 261 N 4.06 0.57 -1.92 -3.33 2.07 -2.03 -3.43 116.25 112.24 3kgl h VAL 261 Ca 0.46 -1.18 -0.54 0.00 0.82 0.00 0.00 66.70 66.25 3kgl h VAL 261 Cb 0.67 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3kgl h VAL 261 CO 1.67 0.17 1.52 -0.63 0.02 0.00 0.00 177.57 180.33 3kgl s ILE 262 N -2.61 3.05 0.00 4.57 1.01 -1.26 -4.72 121.20 121.23 3kgl s ILE 262 Ca -0.09 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.61 3kgl s ILE 262 Cb -0.00 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.38 3kgl s ILE 262 CO 0.31 -0.07 0.00 0.54 0.00 0.00 0.00 174.94 175.72 3kgl n ARG 263 N 8.84 0.00 0.00 2.79 5.12 -1.26 -5.22 116.66 126.93 3kgl n ARG 263 Ca 0.31 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.23 3kgl n ARG 263 Cb 0.49 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.79 3kgl n ARG 263 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 3kgl n PRO 264 N -2.45 0.00 -0.19 5.56 -0.02 -1.26 -5.11 135.00 131.53 3kgl n PRO 264 Ca 0.00 0.00 0.17 0.00 -2.02 0.00 0.00 63.50 61.65 3kgl n PRO 264 Cb 0.00 -0.59 0.32 0.00 -0.02 0.00 0.00 33.50 33.21 3kgl n PRO 264 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3kgl n GLU 280 N -0.37 -0.04 -2.89 -0.52 0.28 -1.26 -5.03 120.64 110.81 3kgl n GLU 280 Ca 0.00 0.83 -0.34 0.00 -0.16 0.00 0.00 57.16 57.49 3kgl n GLU 280 Cb 0.00 -1.45 -0.02 0.00 1.43 0.00 0.00 31.44 31.40 3kgl n GLU 280 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3kgl n THR 281 N -4.41 4.31 -3.58 3.84 -2.24 -1.26 -4.94 114.28 106.01 3kgl n THR 281 Ca 0.21 -5.73 -0.28 0.00 -2.27 0.00 0.00 64.05 55.98 3kgl n THR 281 Cb 0.70 -1.59 -0.11 0.00 -2.10 0.00 0.00 70.33 67.23 3kgl n THR 281 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3kgl s ILE 282 N -4.05 1.06 -2.78 2.28 -1.09 -1.26 -4.80 121.20 110.56 3kgl s ILE 282 Ca 0.43 -2.82 0.26 0.00 -2.23 0.00 0.00 60.65 56.28 3kgl s ILE 282 Cb 0.21 -1.73 0.33 0.00 -1.58 0.00 0.00 42.46 39.69 3kgl s ILE 282 CO -0.10 -1.08 1.45 0.00 -1.23 0.00 0.00 174.94 173.98 3kgl n SER 284 N 0.85 0.00 -4.19 0.00 7.64 -1.26 -4.92 113.62 111.74 3kgl n SER 284 Ca 0.16 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.67 3kgl n SER 284 Cb 0.50 -0.23 0.04 0.00 -1.01 0.00 0.00 64.21 63.52 3kgl n SER 284 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kgl n ALA 285 N -2.17 -3.86 -1.77 -0.43 0.00 -1.26 -4.82 120.51 106.20 3kgl n ALA 285 Ca 0.00 -0.41 -0.37 0.00 0.00 0.00 0.00 53.44 52.66 3kgl n ALA 285 Cb 0.00 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.05 3kgl n ALA 285 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3kgl s ARG 286 N -1.96 3.69 0.00 0.00 3.52 -1.26 -4.97 118.95 117.96 3kgl s ARG 286 Ca 0.51 1.75 0.02 0.00 -0.13 0.00 0.00 55.73 57.88 3kgl s ARG 286 Cb -0.31 -2.34 0.01 0.00 -1.56 0.00 0.00 34.95 30.75 3kgl s ARG 286 CO 0.72 -0.61 0.49 0.00 -0.81 0.00 0.00 175.30 175.10 3kgl s THR 288 N -0.29 1.66 -0.27 0.00 2.01 -1.26 -1.51 115.64 115.98 3kgl s THR 288 Ca 0.02 -1.67 -0.25 0.00 0.31 0.00 0.00 61.69 60.10 3kgl s THR 288 Cb 0.01 -1.61 0.11 0.00 0.01 0.00 0.00 72.50 71.03 3kgl s THR 288 CO 0.03 -0.20 0.98 -0.62 -0.69 0.00 0.00 174.62 174.13 3kgl s ASP 289 N -2.21 -0.49 -0.25 3.53 2.15 -1.09 -4.98 116.67 113.34 3kgl s ASP 289 Ca 0.09 0.92 -0.10 0.00 0.43 0.00 0.00 52.55 53.88 3kgl s ASP 289 Cb -0.08 0.92 -0.05 0.00 -0.30 0.00 0.00 42.92 43.41 3kgl s ASP 289 CO 0.05 -0.18 0.16 0.21 -0.17 0.00 0.00 175.17 175.23 3kgl s ASN 290 N 0.15 6.04 0.00 -0.34 3.84 -1.26 -0.77 114.94 122.60 3kgl s ASN 290 Ca 0.02 0.07 0.24 0.00 0.21 0.00 0.00 52.86 53.40 3kgl s ASN 290 Cb -0.05 -2.10 0.23 0.00 -0.55 0.00 0.00 41.25 38.79 3kgl s ASN 290 CO -0.05 0.04 1.25 0.18 -2.79 0.00 0.00 177.10 175.74 3kgl n LEU 291 N 4.45 2.14 -0.72 3.21 4.77 -0.84 -4.27 117.00 125.74 3kgl n LEU 291 Ca -0.15 -0.74 0.03 0.00 -0.03 0.00 0.00 56.01 55.11 3kgl n LEU 291 Cb 0.52 -0.02 0.11 0.00 -2.33 0.00 0.00 43.42 41.70 3kgl n LEU 291 CO 0.34 0.38 0.49 0.47 -1.33 0.00 0.00 177.39 177.74 3kgl n ASP 292 N 0.31 1.94 -4.50 -1.43 8.00 -1.26 -4.68 116.55 114.93 3kgl n ASP 292 Ca 0.12 -2.17 -0.43 0.00 0.71 0.00 0.00 54.79 53.02 3kgl n ASP 292 Cb 0.48 -0.40 -0.08 0.00 -0.02 0.00 0.00 41.12 41.10 3kgl n ASP 292 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kgl s ASP 293 N -0.51 6.22 0.00 -2.24 2.15 -1.26 -4.94 116.67 116.09 3kgl s ASP 293 Ca 0.15 -0.53 0.17 0.00 0.43 0.00 0.00 52.55 52.77 3kgl s ASP 293 Cb 0.11 -2.24 0.94 0.00 -0.30 0.00 0.00 42.92 41.43 3kgl s ASP 293 CO 0.07 -0.59 1.46 -2.65 -0.17 0.00 0.00 175.17 173.29 3kgl n PRO 294 N 5.70 0.40 -0.00 4.34 -0.02 -1.26 -2.57 135.00 141.59 3kgl n PRO 294 Ca -0.06 0.06 0.08 0.00 -2.02 0.00 0.00 63.50 61.56 3kgl n PRO 294 Cb 0.48 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.35 3kgl n PRO 294 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3kgl n SER 295 N -1.13 0.83 -0.38 2.55 7.64 -1.26 -4.01 113.62 117.85 3kgl n SER 295 Ca 0.11 -0.76 0.08 0.00 1.01 0.00 0.00 58.87 59.31 3kgl n SER 295 Cb 0.09 1.12 0.17 0.00 -1.01 0.00 0.00 64.21 64.59 3kgl n SER 295 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3kgl n ASN 296 N -1.51 2.88 -4.47 6.43 4.13 -1.06 -5.03 115.26 116.63 3kgl n ASN 296 Ca 0.02 -2.88 -0.28 0.00 1.68 0.00 0.00 54.58 53.12 3kgl n ASN 296 Cb 0.29 -0.41 0.14 0.00 -1.54 0.00 0.00 39.78 38.26 3kgl n ASN 296 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kgl s ALA 297 N -2.54 2.64 -0.17 5.41 0.00 -1.19 -4.76 121.76 121.16 3kgl s ALA 297 Ca 0.32 -1.12 -0.26 0.00 0.00 0.00 0.00 51.96 50.90 3kgl s ALA 297 Cb 0.26 -2.69 -0.23 0.00 0.00 0.00 0.00 23.12 20.46 3kgl s ALA 297 CO 0.06 -2.00 0.54 -0.44 0.00 0.00 0.00 175.76 173.92 3kgl h ASP 298 N -1.23 0.00 -3.58 0.00 5.19 -1.40 -3.45 116.42 111.94 3kgl h ASP 298 Ca -0.44 -0.80 -0.55 0.00 -0.62 0.00 0.00 57.03 54.63 3kgl h ASP 298 Cb 1.27 0.00 -0.33 0.00 0.18 0.00 0.00 39.33 40.45 3kgl h ASP 298 CO 0.47 1.19 -0.83 0.54 -3.12 0.00 0.00 179.24 177.49 3kgl s VAL 299 N -2.27 1.34 -0.37 -1.35 0.11 -1.16 -5.03 120.40 111.66 3kgl s VAL 299 Ca -0.23 -0.62 0.00 0.00 -2.93 0.00 0.00 61.98 58.20 3kgl s VAL 299 Cb 0.01 -1.18 0.13 0.00 -1.53 0.00 0.00 36.38 33.80 3kgl s VAL 299 CO 0.65 0.40 0.19 -0.47 -3.33 0.00 0.00 175.10 172.53 3kgl s TYR 300 N 0.40 1.26 -0.45 1.54 5.04 -1.26 -1.59 117.35 122.29 3kgl s TYR 300 Ca -0.11 -1.82 -0.14 0.00 -2.44 0.00 0.00 57.07 52.56 3kgl s TYR 300 Cb -0.14 -1.37 0.06 0.00 0.35 0.00 0.00 41.96 40.86 3kgl s TYR 300 CO 0.04 -0.82 0.35 0.15 -1.34 0.00 0.00 175.55 173.92 3kgl s LYS 301 N 1.05 2.91 0.55 4.97 1.02 -0.94 -4.96 119.74 124.35 3kgl s LYS 301 Ca 0.15 -1.29 0.25 0.00 0.02 0.00 0.00 55.97 55.10 3kgl s LYS 301 Cb -0.22 -4.03 1.56 0.00 -0.52 0.00 0.00 37.83 34.63 3kgl s LYS 301 CO -0.08 -0.95 2.18 -1.35 -0.92 0.00 0.00 175.35 174.23 3kgl h PRO 302 N 8.66 0.00 -0.93 -1.68 0.11 -1.98 0.51 132.00 136.69 3kgl h PRO 302 Ca -0.27 0.00 0.20 0.00 0.11 0.00 0.00 66.00 66.04 3kgl h PRO 302 Cb 1.11 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.10 3kgl h PRO 302 CO 0.82 0.04 0.49 1.96 -0.21 0.00 0.00 178.00 181.10 3kgl h GLN 303 N 0.00 0.55 0.00 1.05 7.50 -2.04 -3.37 115.11 118.79 3kgl h GLN 303 Ca -0.00 -0.03 -0.10 0.00 0.50 0.00 0.00 58.65 59.02 3kgl h GLN 303 Cb 0.10 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.49 3kgl h GLN 303 CO 0.01 0.36 -1.06 1.28 -1.50 0.00 0.00 178.83 177.92 3kgl n LEU 304 N -4.91 0.95 0.00 1.46 4.32 0.15 -4.92 117.00 114.04 3kgl n LEU 304 Ca 0.22 0.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.36 3kgl n LEU 304 Cb 0.60 -0.35 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 3kgl n LEU 304 CO 0.17 -0.12 0.00 0.61 -1.22 0.00 0.00 177.39 176.84 3kgl n GLY 305 N 2.57 -1.49 3.35 -0.72 0.00 0.71 -1.24 105.19 108.37 3kgl n GLY 305 Ca -0.13 -1.46 -0.27 0.00 0.00 0.00 0.00 46.02 44.16 3kgl n GLY 305 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kgl s TYR 306 N -2.11 2.11 -0.19 1.61 -0.85 0.24 -2.21 117.35 115.94 3kgl s TYR 306 Ca 0.00 -0.39 0.00 0.00 -0.52 0.00 0.00 57.07 56.16 3kgl s TYR 306 Cb 0.00 -1.15 0.05 0.00 0.38 0.00 0.00 41.96 41.23 3kgl s TYR 306 CO 0.00 0.28 -0.07 0.42 -1.52 0.00 0.00 175.55 174.66 3kgl s ILE 307 N -1.08 1.39 0.22 -3.49 1.01 -0.62 -1.33 121.20 117.30 3kgl s ILE 307 Ca 0.11 -0.90 0.09 0.00 0.00 0.00 0.00 60.65 59.95 3kgl s ILE 307 Cb -0.10 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 3kgl s ILE 307 CO 0.05 0.09 -0.02 -0.94 0.00 0.00 0.00 174.94 174.12 3kgl s SER 308 N 1.49 4.55 0.01 3.58 1.04 -0.54 -0.98 113.70 122.86 3kgl s SER 308 Ca -0.01 -0.56 0.01 0.00 0.48 0.00 0.00 55.95 55.87 3kgl s SER 308 Cb -0.16 -0.87 -0.01 0.00 0.10 0.00 0.00 66.02 65.08 3kgl s SER 308 CO -0.08 0.05 -0.03 -0.89 0.98 0.00 0.00 173.24 173.27 3kgl s THR 309 N -2.02 0.18 -0.60 2.02 2.01 -1.26 -0.57 115.64 115.41 3kgl s THR 309 Ca 0.29 -0.44 -0.02 0.00 0.31 0.00 0.00 61.69 61.82 3kgl s THR 309 Cb -0.08 -0.23 0.16 0.00 0.01 0.00 0.00 72.50 72.36 3kgl s THR 309 CO 0.18 -0.17 0.41 -0.22 -0.69 0.00 0.00 174.62 174.14 3kgl s LEU 310 N -0.64 5.19 0.61 4.42 0.20 -0.17 -4.98 118.68 123.31 3kgl s LEU 310 Ca -0.05 -2.79 -0.03 0.00 0.69 0.00 0.00 54.13 51.94 3kgl s LEU 310 Cb -0.05 -1.84 0.04 0.00 -0.43 0.00 0.00 46.19 43.91 3kgl s LEU 310 CO -0.00 -0.38 0.88 0.20 -0.29 0.00 0.00 176.35 176.76 3kgl s ASN 311 N 0.73 5.16 0.61 3.68 0.02 -1.26 -3.18 114.94 120.70 3kgl s ASN 311 Ca 0.16 0.28 0.40 0.00 -1.02 0.00 0.00 52.86 52.69 3kgl s ASN 311 Cb -0.21 -1.11 2.08 0.00 0.02 0.00 0.00 41.25 42.03 3kgl s ASN 311 CO -0.03 -1.29 2.23 0.77 0.02 0.00 0.00 177.10 178.79 3kgl h SER 312 N -0.21 0.00 -0.30 -1.22 4.64 -1.11 -0.68 113.55 114.67 3kgl h SER 312 Ca -0.44 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.73 3kgl h SER 312 Cb 1.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3kgl h SER 312 CO 0.57 0.00 -0.41 1.88 -0.87 0.00 0.00 176.83 178.00 3kgl h TYR 313 N 0.00 1.00 0.55 4.77 0.05 -1.93 -2.58 116.97 118.83 3kgl h TYR 313 Ca 0.00 -0.33 -0.03 0.00 0.05 0.00 0.00 58.73 58.43 3kgl h TYR 313 Cb 0.13 -0.20 0.01 0.00 1.01 0.00 0.00 36.73 37.68 3kgl h TYR 313 CO 0.00 1.13 -0.26 -0.44 -1.05 0.00 0.00 178.16 177.53 3kgl h ASP 314 N 0.58 -0.63 -4.22 3.88 3.32 -1.53 -3.38 116.42 114.44 3kgl h ASP 314 Ca 0.03 -0.04 -0.67 0.00 0.02 0.00 0.00 57.03 56.37 3kgl h ASP 314 Cb 1.01 0.16 -0.38 0.00 0.22 0.00 0.00 39.33 40.34 3kgl h ASP 314 CO 0.10 -0.25 -0.48 -0.76 -1.72 0.00 0.00 179.24 176.12 3kgl s LEU 315 N -9.53 4.81 0.33 1.55 1.43 -0.57 -4.96 118.68 111.75 3kgl s LEU 315 Ca -0.14 -3.00 0.16 0.00 -1.03 0.00 0.00 54.13 50.12 3kgl s LEU 315 Cb 0.02 -1.75 0.85 0.00 0.03 0.00 0.00 46.19 45.33 3kgl s LEU 315 CO 0.46 -0.29 1.40 -0.65 0.23 0.00 0.00 176.35 177.50 3kgl h PRO 316 N 6.69 0.00 0.00 1.29 0.11 -1.66 0.78 132.00 139.21 3kgl h PRO 316 Ca -0.03 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.00 3kgl h PRO 316 Cb 0.91 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 3kgl h PRO 316 CO 0.71 0.00 -0.39 0.97 -0.21 0.00 0.00 178.00 179.08 3kgl h ILE 317 N 0.00 1.19 0.00 4.15 6.09 -1.82 -2.59 117.51 124.53 3kgl h ILE 317 Ca 0.00 -1.37 0.00 0.00 -1.37 0.00 0.00 64.86 62.12 3kgl h ILE 317 Cb 0.46 1.75 0.00 0.00 0.47 0.00 0.00 36.82 39.51 3kgl h ILE 317 CO 0.00 0.38 0.13 -0.07 -3.07 0.00 0.00 178.15 175.52 3kgl h LEU 318 N 0.00 0.00 -1.66 2.19 3.38 -1.15 -1.24 115.31 116.83 3kgl h LEU 318 Ca -0.00 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.21 3kgl h LEU 318 Cb 0.72 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 3kgl h LEU 318 CO 0.05 0.00 0.64 -0.09 0.09 0.00 0.00 178.44 179.13 3kgl h ARG 319 N 0.00 0.25 0.07 1.13 2.43 -1.66 -2.23 114.38 114.38 3kgl h ARG 319 Ca 0.00 -0.01 -0.32 0.00 -0.81 0.00 0.00 59.98 58.83 3kgl h ARG 319 Cb 0.26 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 3kgl h ARG 319 CO 0.00 0.16 -1.77 1.19 -1.51 0.00 0.00 179.97 178.05 3kgl n PHE 320 N -4.44 1.08 0.33 2.20 3.72 -0.47 -4.22 117.46 115.66 3kgl n PHE 320 Ca 0.21 0.31 0.21 0.00 -0.05 0.00 0.00 57.45 58.13 3kgl n PHE 320 Cb 0.85 -1.13 1.13 0.00 -0.94 0.00 0.00 39.48 39.39 3kgl n PHE 320 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3kgl h LEU 321 N -0.36 0.00 -1.94 4.37 4.07 -1.52 -3.47 115.31 116.47 3kgl h LEU 321 Ca -0.41 0.00 -0.49 0.00 0.08 0.00 0.00 57.88 57.06 3kgl h LEU 321 Cb 1.75 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 43.45 3kgl h LEU 321 CO -0.05 0.00 -0.88 0.54 -1.08 0.00 0.00 178.44 176.97 3kgl n ARG 322 N -3.01 -3.40 -3.75 1.13 5.12 -0.87 -4.88 116.66 107.00 3kgl n ARG 322 Ca -0.03 0.43 -0.13 0.00 -1.93 0.00 0.00 57.85 56.20 3kgl n ARG 322 Cb 0.12 -4.58 -0.13 0.00 -1.16 0.00 0.00 32.46 26.72 3kgl n ARG 322 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3kgl s LEU 323 N -6.92 0.69 0.35 0.55 1.43 -1.26 -2.74 118.68 110.79 3kgl s LEU 323 Ca 0.01 0.50 0.06 0.00 -1.03 0.00 0.00 54.13 53.67 3kgl s LEU 323 Cb -0.01 0.75 -0.07 0.00 0.03 0.00 0.00 46.19 46.90 3kgl s LEU 323 CO 0.88 -0.13 0.00 -0.55 0.23 0.00 0.00 176.35 176.78 3kgl s SER 324 N 0.81 3.14 0.09 2.29 0.15 -0.44 -4.35 113.70 115.39 3kgl s SER 324 Ca -0.06 -1.32 -0.03 0.00 0.70 0.00 0.00 55.95 55.25 3kgl s SER 324 Cb -0.07 -0.24 -0.03 0.00 -1.71 0.00 0.00 66.02 63.97 3kgl s SER 324 CO -0.05 -0.46 0.05 0.00 1.20 0.00 0.00 173.24 173.99 3kgl s ALA 325 N -2.96 0.47 -0.06 5.45 0.00 -1.19 -1.91 121.76 121.57 3kgl s ALA 325 Ca 0.34 -1.18 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 3kgl s ALA 325 Cb 0.08 0.54 0.03 0.00 0.00 0.00 0.00 23.12 23.76 3kgl s ALA 325 CO 0.16 -0.45 0.14 -1.17 0.00 0.00 0.00 175.76 174.44 3kgl s LEU 326 N -2.96 1.12 -0.13 0.00 0.20 -0.31 -1.00 118.68 115.62 3kgl s LEU 326 Ca 0.13 0.28 0.02 0.00 0.69 0.00 0.00 54.13 55.25 3kgl s LEU 326 Cb 0.07 0.41 0.01 0.00 -0.43 0.00 0.00 46.19 46.25 3kgl s LEU 326 CO -0.06 -0.10 -0.19 -0.60 -0.29 0.00 0.00 176.35 175.12 3kgl s ARG 327 N 0.60 2.66 -0.04 1.98 6.06 0.27 0.20 118.95 130.67 3kgl s ARG 327 Ca -0.04 -0.72 0.06 0.00 -2.50 0.00 0.00 55.73 52.53 3kgl s ARG 327 Cb -0.06 -2.19 -0.01 0.00 0.06 0.00 0.00 34.95 32.75 3kgl s ARG 327 CO -0.03 -0.04 -0.23 0.20 -2.50 0.00 0.00 175.30 172.70 3kgl s GLY 328 N 0.91 1.20 -0.19 8.12 0.00 -0.93 -1.46 107.32 114.96 3kgl s GLY 328 Ca -0.06 -0.98 -0.04 0.00 0.00 0.00 0.00 44.72 43.63 3kgl s GLY 328 CO -0.02 -0.65 0.09 -0.45 0.00 0.00 0.00 173.10 172.07 3kgl s SER 329 N -0.23 2.61 0.07 1.64 0.15 -0.44 -0.85 113.70 116.64 3kgl s SER 329 Ca -0.00 -0.75 0.03 0.00 0.70 0.00 0.00 55.95 55.93 3kgl s SER 329 Cb -0.12 -0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 63.84 3kgl s SER 329 CO 0.02 -0.36 -0.10 0.27 1.20 0.00 0.00 173.24 174.27 3kgl s ILE 330 N 2.09 0.82 0.43 6.45 -4.36 -0.32 -0.60 121.20 125.70 3kgl s ILE 330 Ca 0.03 -1.33 0.08 0.00 -0.26 0.00 0.00 60.65 59.17 3kgl s ILE 330 Cb -0.16 -0.99 0.01 0.00 1.25 0.00 0.00 42.46 42.57 3kgl s ILE 330 CO -0.13 -0.41 0.56 0.00 0.24 0.00 0.00 174.94 175.20 3kgl s ARG 331 N -2.05 2.78 0.42 0.37 1.70 -0.37 -0.86 118.95 120.93 3kgl s ARG 331 Ca -0.03 -1.29 -0.17 0.00 -0.47 0.00 0.00 55.73 53.78 3kgl s ARG 331 Cb -0.07 -2.71 -0.13 0.00 -0.57 0.00 0.00 34.95 31.46 3kgl s ARG 331 CO 0.01 -0.28 -0.06 0.94 -1.08 0.00 0.00 175.30 174.83 3kgl n GLN 332 N -1.83 0.00 -0.07 3.89 7.27 -0.01 -0.95 117.38 125.68 3kgl n GLN 332 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.15 3kgl n GLN 332 Cb 0.59 -0.88 0.00 0.00 2.41 0.00 0.00 30.24 32.36 3kgl n GLN 332 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3kgl n ASN 333 N 2.16 0.00 -4.70 1.69 3.02 -0.82 -4.91 115.26 111.70 3kgl n ASN 333 Ca 0.08 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.20 3kgl n ASN 333 Cb 0.40 -0.64 -0.01 0.00 -0.61 0.00 0.00 39.78 38.91 3kgl n ASN 333 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kgl n ALA 334 N 0.63 1.45 -2.38 5.41 0.00 -0.12 -2.71 120.51 122.79 3kgl n ALA 334 Ca 0.00 0.38 -0.29 0.00 0.00 0.00 0.00 53.44 53.53 3kgl n ALA 334 Cb 0.00 -2.30 -0.15 0.00 0.00 0.00 0.00 19.45 17.00 3kgl n ALA 334 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3kgl s MET 335 N -1.20 1.81 -0.39 0.00 0.00 0.83 -1.97 119.30 118.38 3kgl s MET 335 Ca 0.61 -0.87 -0.15 0.00 0.00 0.00 0.00 55.69 55.28 3kgl s MET 335 Cb -0.58 -1.79 0.01 0.00 0.00 0.00 0.00 34.83 32.46 3kgl s MET 335 CO 0.56 0.49 0.29 0.08 0.00 0.00 0.00 175.02 176.44 3kgl s VAL 336 N -0.60 5.26 0.26 10.11 1.01 -0.23 -1.23 120.40 134.98 3kgl s VAL 336 Ca 0.09 -0.54 -0.28 0.00 0.00 0.00 0.00 61.98 61.25 3kgl s VAL 336 Cb -0.09 -3.88 -0.15 0.00 0.00 0.00 0.00 36.38 32.26 3kgl s VAL 336 CO -0.00 -0.24 0.92 0.18 0.00 0.00 0.00 175.10 175.96 3kgl n LEU 337 N 5.16 1.15 -4.74 3.92 4.77 0.11 -3.01 117.00 124.35 3kgl n LEU 337 Ca -0.11 1.17 -0.67 0.00 -0.03 0.00 0.00 56.01 56.36 3kgl n LEU 337 Cb 0.48 -1.21 -0.10 0.00 -2.33 0.00 0.00 43.42 40.26 3kgl n LEU 337 CO 0.40 -1.72 1.15 -2.65 -1.33 0.00 0.00 177.39 173.25 3kgl n PRO 338 N 0.87 0.08 -4.12 3.23 -0.02 -1.26 -4.81 135.00 128.97 3kgl n PRO 338 Ca 0.12 0.03 -0.08 0.00 -2.02 0.00 0.00 63.50 61.54 3kgl n PRO 338 Cb 0.30 -1.54 -0.10 0.00 -0.02 0.00 0.00 33.50 32.13 3kgl n PRO 338 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3kgl s GLN 339 N 2.98 0.68 0.02 -0.52 -2.07 -1.02 -1.29 119.66 118.44 3kgl s GLN 339 Ca 1.04 -1.24 0.00 0.00 -1.82 0.00 0.00 55.36 53.35 3kgl s GLN 339 Cb -1.47 0.05 -0.02 0.00 -1.09 0.00 0.00 33.01 30.48 3kgl s GLN 339 CO 0.80 -0.07 -0.03 1.67 -1.32 0.00 0.00 175.29 176.34 3kgl s TRP 340 N -3.70 0.24 -0.01 9.60 -2.14 -0.01 -0.80 118.94 122.12 3kgl s TRP 340 Ca 0.08 -0.48 -0.23 0.00 2.66 0.00 0.00 56.10 58.13 3kgl s TRP 340 Cb 0.06 -0.18 -0.05 0.00 -3.10 0.00 0.00 33.47 30.21 3kgl s TRP 340 CO -0.08 -0.17 0.67 -0.80 -2.66 0.00 0.00 176.95 173.91 3kgl s ASN 341 N -1.33 7.04 0.21 -2.66 0.01 -1.26 -0.16 114.94 116.80 3kgl s ASN 341 Ca -0.14 1.24 0.10 0.00 -0.71 0.00 0.00 52.86 53.35 3kgl s ASN 341 Cb -0.09 -2.41 0.09 0.00 0.41 0.00 0.00 41.25 39.25 3kgl s ASN 341 CO -0.01 0.01 1.45 0.00 -1.51 0.00 0.00 177.10 177.04 3kgl h ALA 342 N 5.99 0.65 0.00 0.60 0.00 -1.17 -2.54 119.26 122.79 3kgl h ALA 342 Ca -0.43 -0.69 -0.14 0.00 0.00 0.00 0.00 54.91 53.65 3kgl h ALA 342 Cb 1.20 -0.12 -0.28 0.00 0.00 0.00 0.00 17.79 18.59 3kgl h ALA 342 CO 0.72 0.94 -0.83 0.27 0.00 0.00 0.00 179.25 180.34 3kgl n ASN 343 N -3.48 0.58 -3.68 0.00 6.94 -1.26 -4.80 115.26 109.55 3kgl n ASN 343 Ca -0.00 -1.97 -0.14 0.00 -0.02 0.00 0.00 54.58 52.45 3kgl n ASN 343 Cb 0.77 -0.21 -0.09 0.00 -2.36 0.00 0.00 39.78 37.90 3kgl n ASN 343 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kgl s ALA 344 N 0.00 -1.38 0.28 -2.53 0.00 -1.26 -4.64 121.76 112.23 3kgl s ALA 344 Ca 0.23 1.57 -0.26 0.00 0.00 0.00 0.00 51.96 53.51 3kgl s ALA 344 Cb 0.27 -0.91 -0.09 0.00 0.00 0.00 0.00 23.12 22.39 3kgl s ALA 344 CO -0.12 -0.26 0.89 -0.80 0.00 0.00 0.00 175.76 175.47 3kgl s ASN 345 N 0.28 7.36 0.17 0.00 0.01 -1.26 -3.15 114.94 118.34 3kgl s ASN 345 Ca -0.00 1.77 0.09 0.00 -0.71 0.00 0.00 52.86 54.01 3kgl s ASN 345 Cb -0.04 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 3kgl s ASN 345 CO 0.01 0.02 -0.19 0.00 -1.51 0.00 0.00 177.10 175.42 3kgl s ALA 346 N -1.48 2.09 -0.15 0.60 0.00 -0.34 -0.56 121.76 121.92 3kgl s ALA 346 Ca 0.46 -1.50 -0.01 0.00 0.00 0.00 0.00 51.96 50.90 3kgl s ALA 346 Cb -0.20 -0.21 0.04 0.00 0.00 0.00 0.00 23.12 22.75 3kgl s ALA 346 CO 0.25 0.28 -0.03 0.08 0.00 0.00 0.00 175.76 176.34 3kgl s VAL 347 N -1.93 0.86 -0.18 0.00 1.01 0.43 -0.55 120.40 120.04 3kgl s VAL 347 Ca 0.16 -0.45 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 3kgl s VAL 347 Cb -0.06 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 3kgl s VAL 347 CO 0.07 0.11 0.10 -0.22 0.00 0.00 0.00 175.10 175.16 3kgl s LEU 348 N 1.74 4.08 -0.08 3.92 0.20 0.29 -0.20 118.68 128.63 3kgl s LEU 348 Ca 0.02 0.21 0.03 0.00 0.69 0.00 0.00 54.13 55.07 3kgl s LEU 348 Cb -0.15 -2.03 0.01 0.00 -0.43 0.00 0.00 46.19 43.59 3kgl s LEU 348 CO -0.07 0.22 -0.18 -0.47 -0.29 0.00 0.00 176.35 175.56 3kgl s TYR 349 N 0.12 1.98 -0.31 5.38 5.04 0.46 -0.04 117.35 129.98 3kgl s TYR 349 Ca 0.07 -0.79 -0.20 0.00 -2.44 0.00 0.00 57.07 53.71 3kgl s TYR 349 Cb -0.12 -1.37 -0.01 0.00 0.35 0.00 0.00 41.96 40.81 3kgl s TYR 349 CO -0.00 -0.35 0.64 0.08 -1.34 0.00 0.00 175.55 174.57 3kgl s VAL 350 N 0.53 4.93 -0.04 3.14 1.01 -0.83 0.29 120.40 129.44 3kgl s VAL 350 Ca -0.16 0.86 0.03 0.00 0.00 0.00 0.00 61.98 62.71 3kgl s VAL 350 Cb -0.17 -4.01 -0.25 0.00 0.00 0.00 0.00 36.38 31.95 3kgl s VAL 350 CO 0.06 -0.15 0.69 0.71 0.00 0.00 0.00 175.10 176.41 3kgl h THR 351 N 5.55 0.94 -2.90 3.92 1.35 -0.62 -1.17 112.91 119.98 3kgl h THR 351 Ca -0.27 -2.69 -0.14 0.00 -0.55 0.00 0.00 66.41 62.76 3kgl h THR 351 Cb 1.12 2.57 -0.25 0.00 -1.73 0.00 0.00 68.15 69.85 3kgl h THR 351 CO 0.81 0.71 -0.33 -1.81 -0.25 0.00 0.00 175.52 174.65 3kgl s ASP 352 N -6.61 -0.36 0.00 5.36 1.01 -0.73 -4.73 116.67 110.60 3kgl s ASP 352 Ca -0.10 0.69 0.00 0.00 0.71 0.00 0.00 52.55 53.85 3kgl s ASP 352 Cb 0.07 0.67 0.00 0.00 1.01 0.00 0.00 42.92 44.68 3kgl s ASP 352 CO 0.82 -0.13 0.00 0.61 0.21 0.00 0.00 175.17 176.68 3kgl n GLY 353 N 3.16 -1.80 2.97 0.21 0.00 -1.25 -0.20 105.19 108.29 3kgl n GLY 353 Ca -0.15 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.22 3kgl n GLY 353 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kgl s GLU 354 N 0.00 0.12 0.22 1.61 2.02 -1.26 -2.53 118.70 118.88 3kgl s GLU 354 Ca 0.00 0.21 0.09 0.00 0.02 0.00 0.00 54.97 55.29 3kgl s GLU 354 Cb 0.00 0.00 -0.05 0.00 0.10 0.00 0.00 34.13 34.19 3kgl s GLU 354 CO 0.00 -0.05 -0.17 0.00 0.02 0.00 0.00 175.26 175.06 3kgl s ALA 355 N 0.35 2.20 -0.15 5.21 0.00 -0.99 -0.10 121.76 128.28 3kgl s ALA 355 Ca -0.02 -1.68 -0.03 0.00 0.00 0.00 0.00 51.96 50.22 3kgl s ALA 355 Cb -0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 3kgl s ALA 355 CO -0.01 0.15 -0.04 -1.58 0.00 0.00 0.00 175.76 174.28 3kgl s HIS 356 N -2.68 3.02 0.09 0.00 2.46 0.86 -1.75 115.29 117.29 3kgl s HIS 356 Ca 0.23 -0.31 0.03 0.00 0.47 0.00 0.00 55.06 55.49 3kgl s HIS 356 Cb -0.03 -1.95 -0.03 0.00 -0.13 0.00 0.00 32.58 30.44 3kgl s HIS 356 CO 0.09 -0.03 -0.09 0.14 -2.47 0.00 0.00 174.74 172.37 3kgl s VAL 357 N 0.33 0.82 0.10 0.89 -7.23 -0.67 -1.80 120.40 112.84 3kgl s VAL 357 Ca -0.04 -1.60 0.08 0.00 -1.81 0.00 0.00 61.98 58.61 3kgl s VAL 357 Cb -0.14 -1.29 -0.03 0.00 0.56 0.00 0.00 36.38 35.47 3kgl s VAL 357 CO 0.03 -0.59 -0.22 -1.10 -0.31 0.00 0.00 175.10 172.91 3kgl s GLN 358 N -2.79 1.21 0.01 4.82 -0.21 -0.78 -2.33 119.66 119.59 3kgl s GLN 358 Ca 0.04 -1.15 0.02 0.00 0.02 0.00 0.00 55.36 54.29 3kgl s GLN 358 Cb -0.02 -1.49 -0.01 0.00 1.00 0.00 0.00 33.01 32.49 3kgl s GLN 358 CO -0.01 0.35 -0.07 0.08 -2.12 0.00 0.00 175.29 173.53 3kgl s VAL 359 N -1.09 0.51 -0.05 1.09 1.01 -0.77 -2.43 120.40 118.67 3kgl s VAL 359 Ca 0.08 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.58 3kgl s VAL 359 Cb -0.10 -0.48 -0.00 0.00 0.00 0.00 0.00 36.38 35.80 3kgl s VAL 359 CO 0.04 -0.03 -0.18 -0.69 0.00 0.00 0.00 175.10 174.25 3kgl s VAL 360 N -0.53 1.47 1.18 2.92 1.01 -0.48 -1.26 120.40 124.71 3kgl s VAL 360 Ca -0.01 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 3kgl s VAL 360 Cb -0.05 -1.26 0.29 0.00 0.00 0.00 0.00 36.38 35.36 3kgl s VAL 360 CO 0.00 0.42 0.98 0.59 0.00 0.00 0.00 175.10 177.09 3kgl n ASN 361 N 3.16 -1.77 0.09 3.32 5.03 0.11 -2.86 115.26 122.34 3kgl n ASN 361 Ca -0.18 -0.17 0.11 0.00 0.87 0.00 0.00 54.58 55.21 3kgl n ASN 361 Cb 0.53 -1.25 0.45 0.00 -1.02 0.00 0.00 39.78 38.49 3kgl n ASN 361 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3kgl n ASP 362 N -4.87 0.50 0.00 6.41 5.75 -1.26 -2.25 116.55 120.82 3kgl n ASP 362 Ca 0.03 0.60 0.13 0.00 -0.01 0.00 0.00 54.79 55.54 3kgl n ASP 362 Cb 0.54 -0.71 0.48 0.00 -1.03 0.00 0.00 41.12 40.40 3kgl n ASP 362 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3kgl n ASN 363 N -2.02 0.19 -0.54 -1.12 5.15 -1.26 -4.90 115.26 110.76 3kgl n ASN 363 Ca 0.03 0.23 -0.04 0.00 -0.60 0.00 0.00 54.58 54.21 3kgl n ASN 363 Cb 0.26 -0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.28 3kgl n ASN 363 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kgl n GLY 364 N 1.50 0.26 3.85 8.20 0.00 -0.95 -5.04 105.19 113.01 3kgl n GLY 364 Ca 0.06 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 3kgl n GLY 364 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kgl s ASP 365 N -2.85 6.02 -0.64 1.61 1.01 -1.26 -4.84 116.67 115.73 3kgl s ASP 365 Ca 0.01 0.18 -0.28 0.00 0.71 0.00 0.00 52.55 53.18 3kgl s ASP 365 Cb -0.01 -1.78 0.03 0.00 1.01 0.00 0.00 42.92 42.17 3kgl s ASP 365 CO 0.02 0.20 1.23 -0.60 0.21 0.00 0.00 175.17 176.23 3kgl s ARG 366 N -2.26 3.39 0.11 8.23 3.52 -1.26 -0.71 118.95 129.97 3kgl s ARG 366 Ca 0.30 0.08 0.24 0.00 -0.13 0.00 0.00 55.73 56.22 3kgl s ARG 366 Cb -0.13 -4.08 0.37 0.00 -1.56 0.00 0.00 34.95 29.56 3kgl s ARG 366 CO 0.23 -1.86 1.34 1.33 -0.81 0.00 0.00 175.30 175.53 3kgl n VAL 367 N 6.57 0.33 -3.99 7.11 0.24 -0.39 -4.86 118.33 123.34 3kgl n VAL 367 Ca 0.07 -0.25 -0.09 0.00 -2.04 0.00 0.00 64.34 62.03 3kgl n VAL 367 Cb 0.49 -0.11 -0.11 0.00 -1.47 0.00 0.00 33.84 32.64 3kgl n VAL 367 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3kgl s PHE 368 N -3.15 0.29 -0.30 6.34 5.36 -1.18 -0.57 117.98 124.77 3kgl s PHE 368 Ca 0.07 -0.55 -0.11 0.00 -0.96 0.00 0.00 56.93 55.37 3kgl s PHE 368 Cb 0.14 -0.21 0.18 0.00 -0.34 0.00 0.00 43.02 42.79 3kgl s PHE 368 CO 0.72 -0.19 1.04 0.34 -1.46 0.00 0.00 175.22 175.66 3kgl s ASP 369 N -1.53 -0.43 0.00 6.13 2.15 -1.24 -1.85 116.67 119.89 3kgl s ASP 369 Ca -0.15 0.07 0.00 0.00 0.43 0.00 0.00 52.55 52.90 3kgl s ASP 369 Cb -0.09 1.28 0.00 0.00 -0.30 0.00 0.00 42.92 43.81 3kgl s ASP 369 CO -0.01 -0.08 0.00 0.61 -0.17 0.00 0.00 175.17 175.52 3kgl n GLY 370 N 5.14 -1.38 3.78 2.66 0.00 -0.98 -5.01 105.19 109.40 3kgl n GLY 370 Ca 0.08 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.52 3kgl n GLY 370 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kgl s GLN 371 N -1.79 4.53 -0.08 1.61 2.00 -1.26 -1.67 119.66 122.99 3kgl s GLN 371 Ca 0.00 1.11 -0.01 0.00 -2.00 0.00 0.00 55.36 54.47 3kgl s GLN 371 Cb 0.00 -3.26 0.03 0.00 0.80 0.00 0.00 33.01 30.57 3kgl s GLN 371 CO 0.00 0.57 -0.04 0.54 -0.50 0.00 0.00 175.29 175.86 3kgl s VAL 372 N -1.10 0.67 0.21 1.34 0.11 -0.71 -4.83 120.40 116.09 3kgl s VAL 372 Ca 0.35 -0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.32 3kgl s VAL 372 Cb -0.23 -0.75 -0.00 0.00 -1.53 0.00 0.00 36.38 33.87 3kgl s VAL 372 CO 0.25 0.30 0.02 -1.54 -3.33 0.00 0.00 175.10 170.81 3kgl n SER 373 N 4.87 2.09 -4.55 3.54 3.41 -1.26 -2.33 113.62 119.39 3kgl n SER 373 Ca -0.12 -1.96 -0.42 0.00 -0.26 0.00 0.00 58.87 56.11 3kgl n SER 373 Cb 0.50 0.25 0.01 0.00 -0.26 0.00 0.00 64.21 64.71 3kgl n SER 373 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3kgl n GLN 374 N -0.50 1.01 -1.03 4.33 7.27 -1.05 -2.18 117.38 125.23 3kgl n GLN 374 Ca -0.07 0.37 -0.01 0.00 0.07 0.00 0.00 57.00 57.36 3kgl n GLN 374 Cb 0.27 -1.81 -0.00 0.00 2.41 0.00 0.00 30.24 31.11 3kgl n GLN 374 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kgl n GLY 375 N 1.43 0.39 3.69 1.69 0.00 -0.44 -4.97 105.19 106.98 3kgl n GLY 375 Ca 0.11 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 3kgl n GLY 375 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kgl s GLN 376 N -1.07 2.47 -0.09 1.61 -0.21 -0.93 -4.75 119.66 116.69 3kgl s GLN 376 Ca 0.00 -1.31 0.02 0.00 0.02 0.00 0.00 55.36 54.09 3kgl s GLN 376 Cb 0.00 -2.28 0.01 0.00 1.00 0.00 0.00 33.01 31.75 3kgl s GLN 376 CO 0.00 0.38 -0.15 -1.17 -2.12 0.00 0.00 175.29 172.22 3kgl s LEU 377 N -3.70 1.74 -0.13 2.90 2.96 -0.36 -1.96 118.68 120.13 3kgl s LEU 377 Ca 0.32 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 3kgl s LEU 377 Cb -0.07 -1.04 0.01 0.00 0.50 0.00 0.00 46.19 45.59 3kgl s LEU 377 CO 0.21 0.04 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.86 3kgl s LEU 378 N 0.81 2.01 -0.22 -0.68 2.96 0.94 -0.14 118.68 124.35 3kgl s LEU 378 Ca -0.11 -0.55 -0.17 0.00 -0.22 0.00 0.00 54.13 53.08 3kgl s LEU 378 Cb -0.16 -1.35 -0.03 0.00 0.50 0.00 0.00 46.19 45.16 3kgl s LEU 378 CO 0.02 0.07 0.47 -0.55 -1.32 0.00 0.00 176.35 175.04 3kgl s SER 379 N 0.79 6.47 -0.47 3.68 0.15 -1.26 -0.55 113.70 122.51 3kgl s SER 379 Ca -0.09 0.56 0.04 0.00 0.70 0.00 0.00 55.95 57.16 3kgl s SER 379 Cb -0.16 -2.26 0.12 0.00 -1.71 0.00 0.00 66.02 62.01 3kgl s SER 379 CO -0.00 -0.17 0.21 -0.63 1.20 0.00 0.00 173.24 173.84 3kgl s ILE 380 N 1.71 2.43 0.78 6.45 1.01 0.28 -5.00 121.20 128.86 3kgl s ILE 380 Ca 0.21 -3.04 -0.14 0.00 0.00 0.00 0.00 60.65 57.69 3kgl s ILE 380 Cb -0.15 -2.71 0.07 0.00 0.01 0.00 0.00 42.46 39.67 3kgl s ILE 380 CO 0.09 -0.76 1.20 -2.84 0.00 0.00 0.00 174.94 172.63 3kgl s PRO 381 N 0.04 1.81 -0.18 2.79 0.02 -1.26 -1.20 135.00 137.01 3kgl s PRO 381 Ca 0.16 1.74 -0.36 0.00 0.02 0.00 0.00 61.00 62.56 3kgl s PRO 381 Cb -0.24 -1.80 -0.12 0.00 0.02 0.00 0.00 34.50 32.36 3kgl s PRO 381 CO -0.02 -2.08 1.90 0.94 -0.33 0.00 0.00 177.00 177.41 3kgl n GLN 382 N -3.13 1.78 0.00 5.54 7.27 -1.19 -1.57 117.38 126.08 3kgl n GLN 382 Ca 0.13 0.63 0.00 0.00 0.07 0.00 0.00 57.00 57.84 3kgl n GLN 382 Cb 0.50 -2.51 0.00 0.00 2.41 0.00 0.00 30.24 30.64 3kgl n GLN 382 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kgl n GLY 383 N 4.69 1.67 3.76 1.69 0.00 -0.96 -5.00 105.19 111.04 3kgl n GLY 383 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 3kgl n GLY 383 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kgl s PHE 384 N -2.40 3.67 -0.01 1.61 0.40 -0.61 -4.80 117.98 115.85 3kgl s PHE 384 Ca 0.00 1.76 -0.06 0.00 -0.60 0.00 0.00 56.93 58.03 3kgl s PHE 384 Cb 0.00 -3.15 -0.05 0.00 0.51 0.00 0.00 43.02 40.33 3kgl s PHE 384 CO 0.00 -0.21 0.25 -1.12 0.70 0.00 0.00 175.22 174.84 3kgl s SER 385 N -1.10 6.47 -0.06 1.36 0.01 -1.13 -4.41 113.70 114.84 3kgl s SER 385 Ca 0.45 0.53 -0.02 0.00 1.31 0.00 0.00 55.95 58.23 3kgl s SER 385 Cb -0.28 -2.08 0.03 0.00 0.21 0.00 0.00 66.02 63.90 3kgl s SER 385 CO 0.36 0.27 0.04 -0.69 0.41 0.00 0.00 173.24 173.63 3kgl s VAL 386 N -1.27 0.10 -0.20 3.43 1.01 0.02 -1.39 120.40 122.09 3kgl s VAL 386 Ca 0.26 0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.44 3kgl s VAL 386 Cb -0.13 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 3kgl s VAL 386 CO 0.15 0.18 0.02 0.54 0.00 0.00 0.00 175.10 175.99 3kgl s VAL 387 N 2.08 4.17 0.13 2.92 0.11 -1.02 -2.43 120.40 126.37 3kgl s VAL 387 Ca 0.05 -0.24 0.06 0.00 -2.93 0.00 0.00 61.98 58.92 3kgl s VAL 387 Cb -0.12 -2.90 -0.04 0.00 -1.53 0.00 0.00 36.38 31.79 3kgl s VAL 387 CO -0.04 0.42 0.03 -0.54 -3.33 0.00 0.00 175.10 171.63 3kgl s LYS 388 N 0.98 2.57 -0.27 1.54 1.02 -1.17 -1.86 119.74 122.56 3kgl s LYS 388 Ca 0.02 -0.93 -0.01 0.00 0.02 0.00 0.00 55.97 55.07 3kgl s LYS 388 Cb -0.14 -2.50 0.16 0.00 -0.52 0.00 0.00 37.83 34.83 3kgl s LYS 388 CO 0.02 0.50 0.49 0.50 -0.92 0.00 0.00 175.35 175.94 3kgl s ARG 389 N -2.67 0.46 0.29 1.68 3.52 -0.74 -1.07 118.95 120.43 3kgl s ARG 389 Ca 0.27 0.72 -0.30 0.00 -0.13 0.00 0.00 55.73 56.30 3kgl s ARG 389 Cb -0.11 0.03 -0.11 0.00 -1.56 0.00 0.00 34.95 33.20 3kgl s ARG 389 CO 0.19 -0.68 1.53 0.00 -0.81 0.00 0.00 175.30 175.53 3kgl s ALA 390 N 2.70 3.68 -0.02 6.12 0.00 -0.83 -0.10 121.76 133.30 3kgl s ALA 390 Ca 0.16 1.49 0.07 0.00 0.00 0.00 0.00 51.96 53.69 3kgl s ALA 390 Cb -0.15 -3.61 -0.11 0.00 0.00 0.00 0.00 23.12 19.25 3kgl s ALA 390 CO -0.19 -0.91 0.14 2.41 0.00 0.00 0.00 175.76 177.20 3kgl n THR 391 N 1.92 0.11 -3.15 0.00 -1.04 0.86 -1.95 114.28 111.03 3kgl n THR 391 Ca 0.06 -0.20 -0.18 0.00 -2.04 0.00 0.00 64.05 61.69 3kgl n THR 391 Cb 0.39 0.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 3kgl n THR 391 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3kgl s SER 392 N -3.11 5.48 0.14 8.00 1.04 -0.96 -4.91 113.70 119.37 3kgl s SER 392 Ca -0.03 -0.53 -0.29 0.00 0.48 0.00 0.00 55.95 55.58 3kgl s SER 392 Cb 0.04 -0.58 -0.07 0.00 0.10 0.00 0.00 66.02 65.51 3kgl s SER 392 CO 0.31 -0.77 1.50 -0.08 0.98 0.00 0.00 173.24 175.18 3kgl h GLU 393 N 0.71 -0.09 -4.27 4.02 4.57 -1.96 -3.25 114.58 114.32 3kgl h GLU 393 Ca -0.40 0.01 -0.36 0.00 -1.18 0.00 0.00 59.36 57.43 3kgl h GLU 393 Cb 1.28 0.02 -0.30 0.00 -0.16 0.00 0.00 28.75 29.59 3kgl h GLU 393 CO 0.48 -0.06 -0.76 -1.14 -1.18 0.00 0.00 179.01 176.35 3kgl s GLN 394 N -5.33 0.56 -0.11 1.92 0.74 -1.26 -0.83 119.66 115.35 3kgl s GLN 394 Ca -0.12 -0.17 0.03 0.00 0.05 0.00 0.00 55.36 55.16 3kgl s GLN 394 Cb 0.10 -0.56 -0.00 0.00 1.10 0.00 0.00 33.01 33.64 3kgl s GLN 394 CO 0.57 0.06 -0.22 0.12 -0.55 0.00 0.00 175.29 175.27 3kgl s PHE 395 N 0.18 2.60 -0.04 1.67 5.36 -0.04 -3.83 117.98 123.88 3kgl s PHE 395 Ca -0.02 -1.02 -0.01 0.00 -0.96 0.00 0.00 56.93 54.92 3kgl s PHE 395 Cb -0.06 -1.73 0.03 0.00 -0.34 0.00 0.00 43.02 40.92 3kgl s PHE 395 CO -0.00 -0.41 0.04 1.03 -1.46 0.00 0.00 175.22 174.42 3kgl s ARG 396 N 0.37 0.05 0.44 10.12 0.52 0.72 -1.18 118.95 130.00 3kgl s ARG 396 Ca -0.17 0.28 0.03 0.00 -0.52 0.00 0.00 55.73 55.35 3kgl s ARG 396 Cb -0.18 -0.52 -0.02 0.00 0.52 0.00 0.00 34.95 34.75 3kgl s ARG 396 CO 0.08 -0.28 0.09 1.67 0.02 0.00 0.00 175.30 176.88 3kgl s TRP 397 N 1.84 1.82 -0.05 -0.53 -2.14 -0.03 0.14 118.94 119.99 3kgl s TRP 397 Ca 0.01 -1.18 -0.02 0.00 2.66 0.00 0.00 56.10 57.58 3kgl s TRP 397 Cb -0.12 -1.31 0.03 0.00 -3.10 0.00 0.00 33.47 28.97 3kgl s TRP 397 CO -0.03 -0.13 0.09 -1.50 -2.66 0.00 0.00 176.95 172.72 3kgl s ILE 398 N -3.09 -0.09 -0.16 0.66 -1.16 0.14 -2.19 121.20 115.31 3kgl s ILE 398 Ca 0.18 0.26 -0.05 0.00 -0.51 0.00 0.00 60.65 60.53 3kgl s ILE 398 Cb 0.02 -0.17 -0.03 0.00 0.61 0.00 0.00 42.46 42.89 3kgl s ILE 398 CO 0.11 0.11 0.02 -1.61 -2.81 0.00 0.00 174.94 170.75 3kgl s GLU 399 N 1.46 3.76 -0.21 3.50 2.02 0.13 -0.40 118.70 128.96 3kgl s GLU 399 Ca -0.05 -0.42 -0.04 0.00 0.02 0.00 0.00 54.97 54.48 3kgl s GLU 399 Cb -0.12 -3.05 -0.01 0.00 0.10 0.00 0.00 34.13 31.04 3kgl s GLU 399 CO -0.04 0.30 -0.04 -0.06 0.02 0.00 0.00 175.26 175.44 3kgl s PHE 400 N 0.24 2.96 -0.04 1.61 0.08 0.72 -1.16 117.98 122.40 3kgl s PHE 400 Ca 0.01 -0.79 0.07 0.00 0.12 0.00 0.00 56.93 56.33 3kgl s PHE 400 Cb -0.13 -2.07 -0.02 0.00 -0.57 0.00 0.00 43.02 40.23 3kgl s PHE 400 CO 0.01 -0.44 -0.23 0.15 -0.10 0.00 0.00 175.22 174.61 3kgl s LYS 401 N 1.25 2.30 -1.28 0.44 1.02 -0.80 -0.43 119.74 122.24 3kgl s LYS 401 Ca 0.03 -0.88 -0.09 0.00 0.02 0.00 0.00 55.97 55.06 3kgl s LYS 401 Cb -0.14 -2.14 -0.10 0.00 -0.52 0.00 0.00 37.83 34.92 3kgl s LYS 401 CO -0.01 0.53 3.04 0.25 -0.92 0.00 0.00 175.35 178.24 3kgl n THR 402 N 2.54 4.14 -3.64 2.17 -2.24 0.27 -1.32 114.28 116.20 3kgl n THR 402 Ca -0.17 -2.52 -0.05 0.00 -2.27 0.00 0.00 64.05 59.04 3kgl n THR 402 Cb 0.51 -2.44 -0.07 0.00 -2.10 0.00 0.00 70.33 66.23 3kgl n THR 402 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3kgl s ASN 403 N 1.96 -0.58 0.00 3.42 3.84 -1.11 -4.51 114.94 117.96 3kgl s ASN 403 Ca 0.68 0.96 0.11 0.00 0.21 0.00 0.00 52.86 54.82 3kgl s ASN 403 Cb 0.21 1.19 0.53 0.00 -0.55 0.00 0.00 41.25 42.63 3kgl s ASN 403 CO -0.05 -0.15 1.29 0.00 -2.79 0.00 0.00 177.10 175.39 3kgl n ALA 404 N 3.54 1.62 -3.06 1.71 0.00 -1.26 -1.79 120.51 121.27 3kgl n ALA 404 Ca -0.18 -0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.16 3kgl n ALA 404 Cb 0.57 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.83 3kgl n ALA 404 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3kgl s ASN 405 N -2.72 -0.98 0.78 0.00 3.84 -1.26 -0.63 114.94 113.97 3kgl s ASN 405 Ca 0.09 -1.42 -0.11 0.00 0.21 0.00 0.00 52.86 51.63 3kgl s ASN 405 Cb 0.07 1.61 0.06 0.00 -0.55 0.00 0.00 41.25 42.45 3kgl s ASN 405 CO 0.18 -0.13 1.10 0.00 -2.79 0.00 0.00 177.10 175.46 3kgl s ALA 406 N 1.28 2.18 -0.25 1.71 0.00 -1.22 -5.02 121.76 120.44 3kgl s ALA 406 Ca 0.23 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.52 3kgl s ALA 406 Cb -0.03 -3.30 0.07 0.00 0.00 0.00 0.00 23.12 19.86 3kgl s ALA 406 CO -0.06 -1.86 -0.03 -1.14 0.00 0.00 0.00 175.76 172.67 3kgl s GLN 407 N -4.83 1.53 0.34 0.00 2.00 -1.26 -5.04 119.66 112.40 3kgl s GLN 407 Ca 0.62 -1.04 -0.16 0.00 -2.00 0.00 0.00 55.36 52.78 3kgl s GLN 407 Cb -0.18 -2.58 -0.09 0.00 0.80 0.00 0.00 33.01 30.96 3kgl s GLN 407 CO 0.55 -0.65 0.78 0.42 -0.50 0.00 0.00 175.29 175.90 3kgl s ILE 408 N 1.39 4.62 -0.03 -2.34 1.01 -1.26 -0.55 121.20 124.03 3kgl s ILE 408 Ca -0.04 1.07 0.03 0.00 0.00 0.00 0.00 60.65 61.71 3kgl s ILE 408 Cb -0.19 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.67 3kgl s ILE 408 CO -0.08 -0.20 -0.11 0.20 0.00 0.00 0.00 174.94 174.76 3kgl s ASN 409 N -2.23 1.49 -0.08 3.58 0.01 0.78 -4.89 114.94 113.60 3kgl s ASN 409 Ca 0.55 -0.24 -0.01 0.00 -0.71 0.00 0.00 52.86 52.45 3kgl s ASN 409 Cb -0.10 -0.44 -0.03 0.00 0.41 0.00 0.00 41.25 41.09 3kgl s ASN 409 CO 0.17 0.08 -0.02 -0.89 -1.51 0.00 0.00 177.10 174.93 3kgl s THR 410 N 0.21 4.15 -2.38 1.60 2.01 -1.26 -0.83 115.64 119.14 3kgl s THR 410 Ca -0.04 -0.31 0.25 0.00 0.31 0.00 0.00 61.69 61.90 3kgl s THR 410 Cb -0.10 -2.73 0.27 0.00 0.01 0.00 0.00 72.50 69.95 3kgl s THR 410 CO 0.01 0.60 1.43 0.18 -0.69 0.00 0.00 174.62 176.15 3kgl n LEU 411 N 2.21 1.93 -3.63 4.42 4.77 -0.41 -0.35 117.00 125.92 3kgl n LEU 411 Ca -0.18 -0.64 -0.11 0.00 -0.03 0.00 0.00 56.01 55.05 3kgl n LEU 411 Cb 0.53 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 3kgl n LEU 411 CO 0.28 0.33 0.49 0.00 -1.33 0.00 0.00 177.39 177.16 3kgl s ALA 412 N -2.21 -1.87 0.00 -1.18 0.00 -1.26 -4.69 121.76 110.55 3kgl s ALA 412 Ca 0.28 2.10 0.00 0.00 0.00 0.00 0.00 51.96 54.34 3kgl s ALA 412 Cb 0.20 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.99 3kgl s ALA 412 CO 0.42 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.26 3kgl n GLY 413 N 3.01 0.57 0.09 0.00 0.00 -1.26 -4.59 105.19 103.01 3kgl n GLY 413 Ca -0.15 -2.15 0.13 0.00 0.00 0.00 0.00 46.02 43.85 3kgl n GLY 413 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kgl n ARG 414 N -0.13 0.20 -0.02 1.61 1.85 -0.94 -2.40 116.66 116.84 3kgl n ARG 414 Ca 0.00 0.21 0.09 0.00 -1.00 0.00 0.00 57.85 57.15 3kgl n ARG 414 Cb 0.00 -1.75 0.09 0.00 -1.05 0.00 0.00 32.46 29.74 3kgl n ARG 414 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3kgl n THR 415 N -2.11 0.06 -0.76 8.89 -2.24 -1.26 -4.97 114.28 111.89 3kgl n THR 415 Ca 0.05 -0.53 -0.33 0.00 -2.27 0.00 0.00 64.05 60.97 3kgl n THR 415 Cb 0.38 1.32 0.13 0.00 -2.10 0.00 0.00 70.33 70.06 3kgl n THR 415 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3kgl n SER 416 N 1.03 -2.40 0.22 3.42 3.41 -1.01 -4.56 113.62 113.72 3kgl n SER 416 Ca 0.11 0.14 0.12 0.00 -0.26 0.00 0.00 58.87 58.98 3kgl n SER 416 Cb 0.46 -1.07 0.24 0.00 -0.26 0.00 0.00 64.21 63.57 3kgl n SER 416 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3kgl h VAL 417 N -1.72 0.06 0.00 -3.33 3.04 -0.98 -3.10 116.25 110.22 3kgl h VAL 417 Ca -0.47 -1.01 -0.01 0.00 -1.01 0.00 0.00 66.70 64.19 3kgl h VAL 417 Cb 1.32 1.96 -0.00 0.00 -2.01 0.00 0.00 31.29 32.55 3kgl h VAL 417 CO 0.35 0.03 -0.08 -0.07 -1.01 0.00 0.00 177.57 176.79 3kgl h LEU 418 N 0.00 0.00 -0.33 3.16 4.07 -1.83 -3.07 115.31 117.31 3kgl h LEU 418 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 3kgl h LEU 418 Cb 0.95 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.68 3kgl h LEU 418 CO 0.00 0.07 0.11 -0.09 -1.08 0.00 0.00 178.44 177.46 3kgl h ARG 419 N 0.00 0.50 -0.22 1.13 9.65 -1.78 -2.74 114.38 120.92 3kgl h ARG 419 Ca -0.00 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 3kgl h ARG 419 Cb 1.05 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.56 3kgl h ARG 419 CO 0.01 0.52 0.00 0.41 2.80 0.00 0.00 179.97 183.71 3kgl n GLY 420 N -0.68 -0.20 3.71 2.80 0.00 -1.16 -4.75 105.19 104.91 3kgl n GLY 420 Ca -0.02 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 3kgl n GLY 420 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kgl s LEU 421 N -0.92 4.23 0.15 0.99 1.02 -1.03 -5.07 118.68 118.05 3kgl s LEU 421 Ca 0.07 0.62 -0.34 0.00 0.02 0.00 0.00 54.13 54.50 3kgl s LEU 421 Cb 0.04 -2.54 -0.15 0.00 0.02 0.00 0.00 46.19 43.56 3kgl s LEU 421 CO 0.04 0.00 1.32 -2.65 0.02 0.00 0.00 176.35 175.09 3kgl n PRO 422 N 3.91 1.43 -0.36 1.29 -0.02 -1.26 -4.86 135.00 135.13 3kgl n PRO 422 Ca -0.09 0.51 0.10 0.00 -2.02 0.00 0.00 63.50 62.01 3kgl n PRO 422 Cb 0.51 -2.13 0.28 0.00 -0.02 0.00 0.00 33.50 32.15 3kgl n PRO 422 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3kgl h LEU 423 N 4.28 0.86 -2.33 2.45 3.38 -1.95 0.18 115.31 122.18 3kgl h LEU 423 Ca -0.45 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 3kgl h LEU 423 Cb 1.32 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 3kgl h LEU 423 CO 0.76 0.39 -0.03 -0.33 0.09 0.00 0.00 178.44 179.32 3kgl h GLU 424 N 0.88 0.00 -0.02 1.13 3.07 -1.99 0.31 114.58 117.97 3kgl h GLU 424 Ca 0.54 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.37 3kgl h GLU 424 Cb 0.69 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 3kgl h GLU 424 CO -0.32 0.03 -0.12 0.28 -1.40 0.00 0.00 179.01 177.48 3kgl h VAL 425 N 0.00 1.50 -0.28 3.13 2.07 -1.32 -2.61 116.25 118.74 3kgl h VAL 425 Ca -0.00 -1.65 0.04 0.00 0.82 0.00 0.00 66.70 65.91 3kgl h VAL 425 Cb 0.20 2.53 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 3kgl h VAL 425 CO 0.00 0.44 0.07 0.40 0.02 0.00 0.00 177.57 178.51 3kgl h ILE 426 N -0.50 0.89 0.04 4.57 2.04 -1.07 0.25 117.51 123.72 3kgl h ILE 426 Ca -0.01 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 3kgl h ILE 426 Cb 0.79 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3kgl h ILE 426 CO 0.02 0.03 -0.02 0.77 0.00 0.00 0.00 178.15 178.96 3kgl h SER 427 N 0.18 -0.05 -0.35 1.72 4.64 -0.52 -2.24 113.55 116.94 3kgl h SER 427 Ca 0.13 -0.24 -0.16 0.00 -0.47 0.00 0.00 61.79 61.05 3kgl h SER 427 Cb 0.12 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 3kgl h SER 427 CO -0.16 0.21 -0.38 0.78 -0.87 0.00 0.00 176.83 176.41 3kgl h ASN 428 N -0.31 0.97 -0.37 4.97 2.35 -1.50 -0.66 115.58 121.03 3kgl h ASN 428 Ca -0.01 -0.44 0.08 0.00 -0.55 0.00 0.00 56.30 55.38 3kgl h ASN 428 Cb 0.28 -0.27 -0.08 0.00 0.05 0.00 0.00 38.32 38.30 3kgl h ASN 428 CO 0.01 1.23 -0.17 1.23 -1.65 0.00 0.00 177.43 178.08 3kgl h GLY 429 N 0.81 0.12 -1.19 2.83 0.00 -0.39 -2.97 103.07 102.28 3kgl h GLY 429 Ca 0.06 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.60 3kgl h GLY 429 CO 0.09 -0.18 -0.29 -1.72 0.00 0.00 0.00 176.54 174.45 3kgl n TYR 430 N -5.35 0.00 -3.32 5.60 4.01 -0.85 -5.00 117.16 112.25 3kgl n TYR 430 Ca 0.02 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.66 3kgl n TYR 430 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 3kgl n TYR 430 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3kgl n GLN 431 N 0.38 -1.48 -4.30 -0.72 6.02 -0.32 -5.05 117.38 111.92 3kgl n GLN 431 Ca 0.10 1.28 -0.16 0.00 -0.01 0.00 0.00 57.00 58.20 3kgl n GLN 431 Cb 0.47 -4.44 -0.10 0.00 1.02 0.00 0.00 30.24 27.18 3kgl n GLN 431 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 3kgl s ILE 432 N -2.93 0.38 1.38 5.09 -4.36 -0.82 -5.05 121.20 114.91 3kgl s ILE 432 Ca 0.03 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.21 3kgl s ILE 432 Cb -0.01 -2.58 0.36 0.00 1.25 0.00 0.00 42.46 41.48 3kgl s ILE 432 CO 0.81 0.00 0.94 -0.44 0.24 0.00 0.00 174.94 176.48 3kgl s SER 433 N -3.30 -0.79 0.05 4.36 0.01 -1.26 -4.68 113.70 108.09 3kgl s SER 433 Ca 0.38 1.04 0.02 0.00 1.31 0.00 0.00 55.95 58.69 3kgl s SER 433 Cb 0.07 -1.52 -0.25 0.00 0.21 0.00 0.00 66.02 64.53 3kgl s SER 433 CO 0.14 -5.22 1.04 -0.07 0.41 0.00 0.00 173.24 169.54 3kgl h LEU 434 N -3.32 0.23 0.30 2.44 4.07 -1.98 -2.23 115.31 114.82 3kgl h LEU 434 Ca -0.48 -0.28 -0.01 0.00 0.08 0.00 0.00 57.88 57.19 3kgl h LEU 434 Cb 1.34 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 43.00 3kgl h LEU 434 CO 0.34 1.23 -0.21 -0.08 -1.08 0.00 0.00 178.44 178.63 3kgl h GLU 435 N 0.04 -0.49 -0.93 1.13 4.81 -2.00 -0.47 114.58 116.68 3kgl h GLU 435 Ca -0.15 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.16 3kgl h GLU 435 Cb 1.93 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 31.36 3kgl h GLU 435 CO 0.15 -0.33 0.61 0.93 -0.73 0.00 0.00 179.01 179.64 3kgl h GLU 436 N -0.51 1.12 -0.35 1.92 5.08 -1.93 -2.34 114.58 117.56 3kgl h GLU 436 Ca -0.03 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 3kgl h GLU 436 Cb 0.44 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3kgl h GLU 436 CO 0.01 0.74 -0.18 0.00 -1.00 0.00 0.00 179.01 178.58 3kgl h ALA 437 N 1.46 1.03 0.00 3.43 0.00 -0.99 -2.24 119.26 121.96 3kgl h ALA 437 Ca 0.37 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3kgl h ALA 437 Cb 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3kgl h ALA 437 CO -0.12 0.58 -0.47 -0.09 0.00 0.00 0.00 179.25 179.16 3kgl h ARG 438 N 0.58 0.00 0.12 0.00 2.43 -0.56 -2.65 114.38 114.30 3kgl h ARG 438 Ca 0.09 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3kgl h ARG 438 Cb 0.63 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3kgl h ARG 438 CO 0.04 0.47 -0.06 0.00 -1.51 0.00 0.00 179.97 178.91 3kgl h ARG 439 N 0.00 -0.16 -0.42 0.20 2.47 -1.30 -2.30 114.38 112.87 3kgl h ARG 439 Ca -0.00 0.01 0.12 0.00 -1.26 0.00 0.00 59.98 58.85 3kgl h ARG 439 Cb 0.88 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.22 3kgl h ARG 439 CO 0.06 0.25 0.55 0.28 0.56 0.00 0.00 179.97 181.67 3kgl h VAL 440 N -0.94 0.25 0.00 2.04 2.07 -1.42 0.38 116.25 118.63 3kgl h VAL 440 Ca -0.02 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.20 3kgl h VAL 440 Cb 0.48 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 3kgl h VAL 440 CO 0.03 0.00 -1.82 1.17 0.02 0.00 0.00 177.57 176.97 3kgl n LYS 441 N -3.48 0.64 0.00 1.57 4.81 -1.00 -4.77 118.16 115.93 3kgl n LYS 441 Ca 0.08 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 3kgl n LYS 441 Cb 0.72 -1.75 0.00 0.00 0.02 0.00 0.00 35.03 34.02 3kgl n LYS 441 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3kgl n PHE 442 N -2.99 0.00 -0.16 5.64 3.72 0.65 -4.58 117.46 119.74 3kgl n PHE 442 Ca -0.19 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.18 3kgl n PHE 442 Cb 1.07 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.66 3kgl n PHE 442 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 3kgl h ASN 443 N 0.00 -0.28 -3.13 4.37 -0.26 -0.60 -3.37 115.58 112.31 3kgl h ASN 443 Ca 0.00 0.13 -0.57 0.00 -0.56 0.00 0.00 56.30 55.30 3kgl h ASN 443 Cb 0.73 0.24 -0.05 0.00 -1.06 0.00 0.00 38.32 38.18 3kgl h ASN 443 CO 0.00 -0.10 1.09 -0.89 -1.06 0.00 0.00 177.43 176.47 3kgl s THR 444 N -6.18 3.85 -0.50 2.81 2.01 -1.26 -4.83 115.64 111.55 3kgl s THR 444 Ca -0.14 0.89 0.23 0.00 0.31 0.00 0.00 61.69 62.98 3kgl s THR 444 Cb 0.16 -4.07 -0.07 0.00 0.01 0.00 0.00 72.50 68.53 3kgl s THR 444 CO 0.72 -0.63 1.05 2.30 -0.69 0.00 0.00 174.62 177.38 3kgl n ILE 445 N 6.96 0.29 -2.99 1.82 -6.64 -1.26 -3.44 119.36 114.10 3kgl n ILE 445 Ca 0.17 -0.33 -0.32 0.00 -1.77 0.00 0.00 62.75 60.50 3kgl n ILE 445 Cb 0.47 0.00 -0.05 0.00 -1.44 0.00 0.00 39.64 38.63 3kgl n ILE 445 CO 0.00 0.00 0.00 -1.83 -1.77 0.00 0.00 176.55 172.95 3kgl s GLU 446 N -3.25 3.93 -0.14 6.28 -1.05 -1.26 -4.23 118.70 118.98 3kgl s GLU 446 Ca 0.02 0.64 -0.16 0.00 -0.15 0.00 0.00 54.97 55.32 3kgl s GLU 446 Cb 0.13 -2.39 -0.14 0.00 -0.44 0.00 0.00 34.13 31.29 3kgl s GLU 446 CO 0.79 0.06 0.32 1.15 0.95 0.00 0.00 175.26 178.53 3kgl h THR 447 N 1.61 0.87 0.00 1.83 2.02 -1.91 -2.49 112.91 114.83 3kgl h THR 447 Ca -0.48 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 64.97 3kgl h THR 447 Cb 1.18 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 3kgl h THR 447 CO 0.64 0.29 -0.47 0.41 0.37 0.00 0.00 175.52 176.77 3kgl n THR 448 N -4.63 0.19 -3.82 3.16 -1.04 -1.26 -4.67 114.28 102.21 3kgl n THR 448 Ca -0.10 0.06 -0.26 0.00 -2.04 0.00 0.00 64.05 61.71 3kgl n THR 448 Cb 0.34 -1.14 -0.03 0.00 -1.82 0.00 0.00 70.33 67.68 3kgl n THR 448 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3kgl s LEU 449 N -5.97 4.28 -0.10 -4.42 1.43 -1.26 0.07 118.68 112.71 3kgl s LEU 449 Ca 0.00 0.28 -0.32 0.00 -1.03 0.00 0.00 54.13 53.06 3kgl s LEU 449 Cb 0.00 -3.04 0.12 0.00 0.03 0.00 0.00 46.19 43.30 3kgl s LEU 449 CO 0.00 -0.01 1.05 0.28 0.23 0.00 0.00 176.35 177.90 3kgl s THR 450 N -1.83 0.00 0.26 5.49 -1.32 -0.37 -4.82 115.64 113.05 3kgl s THR 450 Ca 0.36 -0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.69 3kgl s THR 450 Cb -0.11 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.80 3kgl s THR 450 CO 0.29 0.00 0.68 -1.00 -2.21 0.00 0.00 174.62 172.38 3kgl s HIS 451 N -2.77 3.49 -1.12 9.09 0.09 -1.26 -0.12 115.29 122.69 3kgl s HIS 451 Ca 0.07 1.20 -0.18 0.00 -0.00 0.00 0.00 55.06 56.16 3kgl s HIS 451 Cb -0.01 -2.50 0.12 0.00 -0.00 0.00 0.00 32.58 30.18 3kgl s HIS 451 CO -0.07 0.23 1.42 -1.12 -0.00 0.00 0.00 174.74 175.21 3kgl s SER 452 N -2.02 6.80 0.00 1.40 0.01 -1.10 -4.83 113.70 113.96 3kgl s SER 452 Ca 0.48 -2.34 0.00 0.00 1.31 0.00 0.00 55.95 55.40 3kgl s SER 452 Cb -0.13 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.63 3kgl s SER 452 CO 0.19 -1.06 0.00 -1.54 0.41 0.00 0.00 173.24 171.24 3kgl n SER 453 N 7.08 0.00 -2.47 2.44 3.41 -1.26 -5.08 113.62 117.74 3kgl n SER 453 Ca 0.35 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.87 3kgl n SER 453 Cb 0.47 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.39 3kgl n SER 453 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kgl n GLY 454 N -0.12 3.90 0.00 5.00 0.00 -1.26 -5.21 105.19 107.49 3kgl n GLY 454 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 3kgl n GLY 454 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27