#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 0.60 0.02 -1.09 -0.21 -1.26 -4.76 119.66 112.96 3kgl s GLN 2 Ca 0.00 -0.42 -0.04 0.00 0.02 0.00 0.00 55.36 54.92 3kgl s GLN 2 Cb 0.00 0.25 -0.02 0.00 1.00 0.00 0.00 33.01 34.24 3kgl s GLN 2 CO 0.00 -0.16 0.07 0.34 -2.12 0.00 0.00 175.29 173.42 3kgl n PHE 3 N 1.15 -0.03 1.01 0.91 7.35 -1.26 -2.66 117.46 123.93 3kgl n PHE 3 Ca -0.21 0.11 0.04 0.00 -0.76 0.00 0.00 57.45 56.63 3kgl n PHE 3 Cb 0.57 -0.23 0.12 0.00 0.35 0.00 0.00 39.48 40.29 3kgl n PHE 3 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3kgl n PRO 4 N 0.13 1.75 -0.63 -7.13 -0.02 -1.26 -4.77 135.00 123.07 3kgl n PRO 4 Ca 0.02 -1.00 -0.12 0.00 -2.02 0.00 0.00 63.50 60.39 3kgl n PRO 4 Cb 0.02 -1.30 0.10 0.00 -0.02 0.00 0.00 33.50 32.30 3kgl n PRO 4 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kgl n ASN 5 N 0.28 3.40 0.11 2.55 3.02 -1.09 -4.70 115.26 118.83 3kgl n ASN 5 Ca 0.09 -2.82 0.06 0.00 -0.03 0.00 0.00 54.58 51.88 3kgl n ASN 5 Cb 0.29 -0.67 0.34 0.00 -0.61 0.00 0.00 39.78 39.13 3kgl n ASN 5 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 3kgl n GLU 6 N -0.32 0.08 -0.13 3.52 0.28 -1.25 -1.27 120.64 121.55 3kgl n GLU 6 Ca 0.30 0.55 0.07 0.00 -0.16 0.00 0.00 57.16 57.93 3kgl n GLU 6 Cb 1.10 -1.87 0.13 0.00 1.43 0.00 0.00 31.44 32.23 3kgl n GLU 6 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kgl n GLN 8 N -0.93 2.64 -3.56 0.00 -0.06 -0.39 -4.94 117.38 110.14 3kgl n GLN 8 Ca 0.13 -2.86 -0.37 0.00 -2.00 0.00 0.00 57.00 51.90 3kgl n GLN 8 Cb 0.59 -3.47 -0.07 0.00 -4.06 0.00 0.00 30.24 23.23 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 5.17 4.27 0.00 1.69 2.01 -1.26 -2.10 118.68 128.47 3kgl s LEU 9 Ca 0.56 0.54 0.02 0.00 0.01 0.00 0.00 54.13 55.26 3kgl s LEU 9 Cb 0.06 -2.37 -0.00 0.00 0.01 0.00 0.00 46.19 43.88 3kgl s LEU 9 CO 0.07 0.14 0.28 0.47 1.01 0.00 0.00 176.35 178.32 3kgl n ASP 10 N 3.30 0.53 -3.67 2.29 8.00 -1.26 -4.99 116.55 120.75 3kgl n ASP 10 Ca -0.13 -0.77 -0.10 0.00 0.71 0.00 0.00 54.79 54.51 3kgl n ASP 10 Cb 0.52 0.58 -0.09 0.00 -0.02 0.00 0.00 41.12 42.12 3kgl n ASP 10 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3kgl s GLN 11 N -0.75 0.58 0.33 -1.24 0.74 -1.26 -4.59 119.66 113.47 3kgl s GLN 11 Ca 0.01 0.95 0.09 0.00 0.05 0.00 0.00 55.36 56.45 3kgl s GLN 11 Cb 0.01 0.13 -0.05 0.00 1.10 0.00 0.00 33.01 34.20 3kgl s GLN 11 CO 0.05 -0.13 0.10 -0.51 -0.55 0.00 0.00 175.29 174.24 3kgl s LEU 12 N 1.20 3.18 0.15 3.68 1.43 -0.09 -4.93 118.68 123.29 3kgl s LEU 12 Ca -0.07 -0.82 -0.07 0.00 -1.03 0.00 0.00 54.13 52.14 3kgl s LEU 12 Cb -0.06 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 3kgl s LEU 12 CO -0.12 -0.26 0.22 0.20 0.23 0.00 0.00 176.35 176.62 3kgl s ASN 13 N -3.80 0.11 -0.08 2.29 -0.87 -1.26 -4.76 114.94 106.58 3kgl s ASN 13 Ca 0.36 -0.92 -0.30 0.00 -1.57 0.00 0.00 52.86 50.44 3kgl s ASN 13 Cb -0.02 0.39 -0.03 0.00 -0.02 0.00 0.00 41.25 41.57 3kgl s ASN 13 CO 0.22 -0.83 1.32 0.00 -2.57 0.00 0.00 177.10 175.23 3kgl s ALA 14 N -3.97 3.59 -0.17 0.60 0.00 -1.26 -4.67 121.76 115.87 3kgl s ALA 14 Ca 0.17 0.67 -0.06 0.00 0.00 0.00 0.00 51.96 52.74 3kgl s ALA 14 Cb 0.04 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 3kgl s ALA 14 CO -0.01 -1.01 0.03 -0.51 0.00 0.00 0.00 175.76 174.26 3kgl s LEU 15 N 2.89 3.64 0.49 0.00 1.43 -0.44 -4.89 118.68 121.80 3kgl s LEU 15 Ca 0.59 0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.80 3kgl s LEU 15 Cb -0.26 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.09 3kgl s LEU 15 CO 0.21 0.18 0.58 -1.61 0.23 0.00 0.00 176.35 175.95 3kgl s GLU 16 N 0.29 2.50 0.69 1.70 2.02 -1.26 -1.39 118.70 123.24 3kgl s GLU 16 Ca 0.01 -1.56 -0.16 0.00 0.02 0.00 0.00 54.97 53.28 3kgl s GLU 16 Cb -0.13 -2.54 0.02 0.00 0.10 0.00 0.00 34.13 31.58 3kgl s GLU 16 CO 0.01 -0.51 1.20 -2.14 0.02 0.00 0.00 175.26 173.84 3kgl s PRO 17 N -4.40 2.42 -0.00 0.39 0.02 -1.26 -4.69 135.00 127.48 3kgl s PRO 17 Ca 0.53 1.75 0.14 0.00 0.02 0.00 0.00 61.00 63.44 3kgl s PRO 17 Cb -0.06 -1.87 -0.16 0.00 0.02 0.00 0.00 34.50 32.44 3kgl s PRO 17 CO 0.32 -1.62 0.56 0.43 -0.33 0.00 0.00 177.00 176.36 3kgl n SER 18 N -2.39 0.77 -3.87 2.53 7.64 0.16 -4.93 113.62 113.53 3kgl n SER 18 Ca 0.13 -0.74 -0.12 0.00 1.01 0.00 0.00 58.87 59.16 3kgl n SER 18 Cb 0.50 1.07 -0.13 0.00 -1.01 0.00 0.00 64.21 64.64 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 -2.37 0.00 -0.19 1.43 3.76 -0.64 -4.96 115.29 112.32 3kgl s HIS 19 Ca 0.04 0.01 -0.00 0.00 -0.15 0.00 0.00 55.06 54.96 3kgl s HIS 19 Cb 0.10 -0.02 0.05 0.00 1.11 0.00 0.00 32.58 33.82 3kgl s HIS 19 CO 0.57 -0.08 -0.05 0.08 -0.85 0.00 0.00 174.74 174.41 3kgl s VAL 20 N -0.33 1.21 -0.59 -0.90 1.01 -1.26 -1.36 120.40 118.19 3kgl s VAL 20 Ca -0.04 -0.82 -0.25 0.00 0.00 0.00 0.00 61.98 60.88 3kgl s VAL 20 Cb -0.03 -1.44 0.04 0.00 0.00 0.00 0.00 36.38 34.96 3kgl s VAL 20 CO 0.00 0.03 1.01 -0.76 0.00 0.00 0.00 175.10 175.38 3kgl s LEU 21 N 1.57 3.99 -0.08 3.92 1.43 -0.95 -4.97 118.68 123.58 3kgl s LEU 21 Ca -0.01 -0.41 -0.27 0.00 -1.03 0.00 0.00 54.13 52.41 3kgl s LEU 21 Cb -0.16 -2.78 -0.03 0.00 0.03 0.00 0.00 46.19 43.25 3kgl s LEU 21 CO -0.07 -1.35 0.86 -0.54 0.23 0.00 0.00 176.35 175.48 3kgl s LYS 22 N 4.25 4.43 0.34 1.70 1.02 -1.26 -2.14 119.74 128.08 3kgl s LYS 22 Ca 0.31 1.15 0.05 0.00 0.02 0.00 0.00 55.97 57.50 3kgl s LYS 22 Cb -0.12 -3.50 -0.07 0.00 -0.52 0.00 0.00 37.83 33.62 3kgl s LYS 22 CO 0.18 -0.12 0.02 0.00 -0.92 0.00 0.00 175.35 174.51 3kgl s ALA 23 N 1.38 2.59 0.21 5.17 0.00 -0.37 -4.78 121.76 125.96 3kgl s ALA 23 Ca 0.43 -2.10 -0.09 0.00 0.00 0.00 0.00 51.96 50.21 3kgl s ALA 23 Cb -0.18 0.42 0.28 0.00 0.00 0.00 0.00 23.12 23.63 3kgl s ALA 23 CO 0.19 -0.20 1.76 1.49 0.00 0.00 0.00 175.76 179.00 3kgl h GLU 24 N 2.05 0.47 -0.04 0.00 4.81 0.06 -3.09 114.58 118.85 3kgl h GLU 24 Ca -0.41 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 3kgl h GLU 24 Cb 1.24 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 3kgl h GLU 24 CO 0.72 0.31 -0.14 0.00 -0.73 0.00 0.00 179.01 179.18 3kgl n ALA 25 N -2.43 2.79 0.00 2.92 0.00 0.92 -4.80 120.51 119.91 3kgl n ALA 25 Ca 0.09 -2.81 0.00 0.00 0.00 0.00 0.00 53.44 50.72 3kgl n ALA 25 Cb 0.25 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 -1.27 -1.95 3.37 0.00 0.00 -1.17 -0.81 105.19 103.37 3kgl n GLY 26 Ca 0.18 -1.18 -0.27 0.00 0.00 0.00 0.00 46.02 44.75 3kgl n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kgl s ARG 27 N -1.75 1.35 -0.34 1.61 0.52 -0.24 -1.24 118.95 118.87 3kgl s ARG 27 Ca 0.00 -1.35 0.04 0.00 -0.52 0.00 0.00 55.73 53.89 3kgl s ARG 27 Cb 0.00 -1.73 0.10 0.00 0.52 0.00 0.00 34.95 33.84 3kgl s ARG 27 CO 0.00 0.40 0.06 0.42 0.02 0.00 0.00 175.30 176.20 3kgl s ILE 28 N -1.29 2.16 -0.27 1.52 1.01 -0.91 -0.37 121.20 123.04 3kgl s ILE 28 Ca 0.14 -2.29 -0.13 0.00 0.00 0.00 0.00 60.65 58.38 3kgl s ILE 28 Cb -0.09 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 3kgl s ILE 28 CO 0.06 -0.61 0.27 -1.61 0.00 0.00 0.00 174.94 173.05 3kgl s GLU 29 N 0.94 3.99 0.06 2.79 2.02 0.20 -2.24 118.70 126.45 3kgl s GLU 29 Ca 0.11 -0.16 0.09 0.00 0.02 0.00 0.00 54.97 55.03 3kgl s GLU 29 Cb -0.19 -3.65 -0.03 0.00 0.10 0.00 0.00 34.13 30.35 3kgl s GLU 29 CO -0.09 -0.21 -0.23 0.54 0.02 0.00 0.00 175.26 175.28 3kgl s VAL 30 N 1.86 2.44 0.33 2.63 0.11 -0.46 -0.23 120.40 127.08 3kgl s VAL 30 Ca 0.11 -1.39 -0.05 0.00 -2.93 0.00 0.00 61.98 57.72 3kgl s VAL 30 Cb -0.16 -2.01 -0.05 0.00 -1.53 0.00 0.00 36.38 32.63 3kgl s VAL 30 CO 0.10 0.29 0.60 0.26 -3.33 0.00 0.00 175.10 173.02 3kgl s TRP 31 N -0.91 3.49 -0.57 1.54 0.51 -0.62 -0.67 118.94 121.70 3kgl s TRP 31 Ca 0.14 0.66 -0.28 0.00 -2.12 0.00 0.00 56.10 54.50 3kgl s TRP 31 Cb -0.10 -2.13 0.02 0.00 -0.81 0.00 0.00 33.47 30.45 3kgl s TRP 31 CO 0.04 0.10 1.35 0.34 -0.51 0.00 0.00 176.95 178.27 3kgl s ASP 32 N -3.36 6.22 -0.02 2.95 2.15 -1.26 -4.74 116.67 118.62 3kgl s ASP 32 Ca 0.44 0.21 0.08 0.00 0.43 0.00 0.00 52.55 53.72 3kgl s ASP 32 Cb -0.10 -2.55 0.27 0.00 -0.30 0.00 0.00 42.92 40.24 3kgl s ASP 32 CO 0.32 -1.65 1.17 0.00 -0.17 0.00 0.00 175.17 174.85 3kgl n HIS 33 N 9.23 0.49 0.49 -5.34 1.44 -1.26 -2.84 115.22 117.42 3kgl n HIS 33 Ca 0.11 -0.22 0.11 0.00 -2.01 0.00 0.00 57.72 55.71 3kgl n HIS 33 Cb 0.49 -0.06 -0.04 0.00 0.12 0.00 0.00 29.99 30.51 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 0.34 0.22 -1.68 -1.40 8.25 -1.26 -4.16 115.22 115.53 3kgl n HIS 34 Ca 0.10 0.06 -0.45 0.00 -0.26 0.00 0.00 57.72 57.17 3kgl n HIS 34 Cb 0.33 -0.42 -0.04 0.00 1.12 0.00 0.00 29.99 30.98 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 -1.89 1.50 -0.30 -1.41 0.00 -1.13 -4.79 120.51 112.49 3kgl n ALA 35 Ca 0.01 0.43 0.03 0.00 0.00 0.00 0.00 53.44 53.91 3kgl n ALA 35 Cb 0.46 -2.36 0.11 0.00 0.00 0.00 0.00 19.45 17.66 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 5.59 -0.00 -0.17 0.00 0.11 -1.91 -0.54 132.00 135.08 3kgl h PRO 36 Ca -0.45 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 3kgl h PRO 36 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3kgl h PRO 36 CO 0.86 -0.00 -0.28 -0.56 -0.21 0.00 0.00 178.00 177.81 3kgl h GLN 37 N -0.00 0.33 0.00 1.05 3.07 -1.89 0.11 115.11 117.77 3kgl h GLN 37 Ca 0.41 -0.12 -0.12 0.00 0.09 0.00 0.00 58.65 58.91 3kgl h GLN 37 Cb 0.62 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 28.14 3kgl h GLN 37 CO -0.88 0.58 -0.61 -0.07 0.09 0.00 0.00 178.83 177.95 3kgl h LEU 38 N 0.29 0.00 -0.44 0.06 3.38 -1.66 -3.13 115.31 113.81 3kgl h LEU 38 Ca 0.04 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 3kgl h LEU 38 Cb 0.65 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3kgl h LEU 38 CO 0.05 0.56 -0.74 -0.09 0.09 0.00 0.00 178.44 178.31 3kgl h ARG 39 N 0.00 0.28 -0.75 1.13 2.43 -0.34 -1.59 114.38 115.54 3kgl h ARG 39 Ca -0.01 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3kgl h ARG 39 Cb 1.44 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 31.01 3kgl h ARG 39 CO 0.07 0.90 0.48 0.00 -1.51 0.00 0.00 179.97 179.91 3kgl h SER 41 N 1.03 0.55 0.00 0.00 0.02 -1.46 -3.48 113.55 110.22 3kgl h SER 41 Ca 0.27 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3kgl h SER 41 Cb -0.09 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.28 3kgl h SER 41 CO -0.06 1.43 0.00 0.61 -1.14 0.00 0.00 176.83 177.67 3kgl n GLY 42 N 1.49 0.53 3.53 -3.77 0.00 -0.62 -4.86 105.19 101.49 3kgl n GLY 42 Ca -0.10 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 44.79 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 2.22 0.34 1.61 -7.23 -1.21 -0.01 120.40 114.12 3kgl s VAL 43 Ca 0.00 -2.22 0.00 0.00 -1.81 0.00 0.00 61.98 57.95 3kgl s VAL 43 Cb 0.00 -2.60 -0.00 0.00 0.56 0.00 0.00 36.38 34.34 3kgl s VAL 43 CO 0.00 -0.23 0.01 -0.24 -0.31 0.00 0.00 175.10 174.34 3kgl n SER 44 N -0.76 2.73 -3.69 4.85 2.88 -0.65 -4.71 113.62 114.27 3kgl n SER 44 Ca -0.05 -2.50 -0.10 0.00 -1.33 0.00 0.00 58.87 54.89 3kgl n SER 44 Cb 0.63 0.30 -0.10 0.00 -0.75 0.00 0.00 64.21 64.28 3kgl n SER 44 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3kgl s PHE 45 N -2.28 -0.63 0.00 0.66 5.36 -1.26 -2.43 117.98 117.41 3kgl s PHE 45 Ca 0.02 1.34 0.02 0.00 -0.96 0.00 0.00 56.93 57.35 3kgl s PHE 45 Cb 0.00 0.29 -0.01 0.00 -0.34 0.00 0.00 43.02 42.96 3kgl s PHE 45 CO 0.01 -0.35 -0.07 0.54 -1.46 0.00 0.00 175.22 173.89 3kgl s VAL 46 N 1.31 0.55 -0.15 3.12 0.11 -0.48 -1.59 120.40 123.27 3kgl s VAL 46 Ca -0.09 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.52 3kgl s VAL 46 Cb -0.08 -0.49 -0.00 0.00 -1.53 0.00 0.00 36.38 34.28 3kgl s VAL 46 CO -0.12 0.06 -0.16 -0.60 -3.33 0.00 0.00 175.10 170.95 3kgl s ARG 47 N -0.43 3.21 0.03 1.54 3.52 0.69 -1.18 118.95 126.32 3kgl s ARG 47 Ca 0.01 -0.76 -0.17 0.00 -0.13 0.00 0.00 55.73 54.68 3kgl s ARG 47 Cb -0.04 -2.61 -0.06 0.00 -1.56 0.00 0.00 34.95 30.68 3kgl s ARG 47 CO -0.00 0.02 0.48 0.71 -0.81 0.00 0.00 175.30 175.70 3kgl s TYR 48 N 0.79 3.76 -0.30 5.12 2.02 -0.22 -0.63 117.35 127.89 3kgl s TYR 48 Ca -0.06 1.11 -0.02 0.00 -0.37 0.00 0.00 57.07 57.74 3kgl s TYR 48 Cb -0.15 -2.39 0.05 0.00 -0.40 0.00 0.00 41.96 39.07 3kgl s TYR 48 CO 0.00 0.60 -0.00 0.42 -1.57 0.00 0.00 175.55 175.00 3kgl s ILE 49 N -1.02 2.97 -0.43 2.71 1.09 0.50 -1.66 121.20 125.35 3kgl s ILE 49 Ca 0.26 -1.39 -0.07 0.00 -1.10 0.00 0.00 60.65 58.35 3kgl s ILE 49 Cb -0.18 -2.71 0.10 0.00 -1.06 0.00 0.00 42.46 38.61 3kgl s ILE 49 CO 0.16 -0.11 0.26 -0.63 -0.10 0.00 0.00 174.94 174.52 3kgl s ILE 50 N 1.25 3.82 1.05 2.92 1.01 -0.65 -1.08 121.20 129.52 3kgl s ILE 50 Ca -0.05 -1.78 -0.12 0.00 0.00 0.00 0.00 60.65 58.70 3kgl s ILE 50 Cb -0.20 -3.50 0.22 0.00 0.01 0.00 0.00 42.46 39.00 3kgl s ILE 50 CO -0.01 -0.65 1.07 -1.61 0.00 0.00 0.00 174.94 173.74 3kgl s GLU 51 N 1.29 -0.02 0.14 2.79 0.41 0.01 -0.91 118.70 122.41 3kgl s GLU 51 Ca 0.05 1.06 -0.31 0.00 -0.41 0.00 0.00 54.97 55.36 3kgl s GLU 51 Cb -0.24 -1.64 -0.11 0.00 -1.78 0.00 0.00 34.13 30.36 3kgl s GLU 51 CO -0.01 -3.19 1.82 0.45 -0.49 0.00 0.00 175.26 173.84 3kgl s SER 52 N -2.70 6.40 -0.56 -0.19 0.15 -1.26 -1.59 113.70 113.94 3kgl s SER 52 Ca 0.67 2.80 -0.01 0.00 0.70 0.00 0.00 55.95 60.11 3kgl s SER 52 Cb -0.23 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 3kgl s SER 52 CO 0.61 -1.01 0.15 0.29 1.20 0.00 0.00 173.24 174.49 3kgl n LYS 53 N 5.35 -1.38 -4.52 5.44 5.02 -0.20 -4.97 118.16 122.91 3kgl n LYS 53 Ca 0.17 0.33 -0.32 0.00 -2.02 0.00 0.00 58.31 56.47 3kgl n LYS 53 Cb 0.37 -4.04 -0.11 0.00 -0.02 0.00 0.00 35.03 31.24 3kgl n LYS 53 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3kgl s GLY 54 N -2.83 1.71 -0.17 0.72 0.00 -0.62 -1.62 107.32 104.50 3kgl s GLY 54 Ca 0.07 -1.04 0.01 0.00 0.00 0.00 0.00 44.72 43.77 3kgl s GLY 54 CO 0.09 -0.89 -0.20 -2.27 0.00 0.00 0.00 173.10 169.83 3kgl s LEU 55 N -1.36 2.16 -0.51 0.66 2.96 0.12 -2.12 118.68 120.59 3kgl s LEU 55 Ca 0.16 -0.63 -0.28 0.00 -0.22 0.00 0.00 54.13 53.17 3kgl s LEU 55 Cb -0.11 -1.48 0.03 0.00 0.50 0.00 0.00 46.19 45.13 3kgl s LEU 55 CO 0.07 0.02 1.09 -0.47 -1.32 0.00 0.00 176.35 175.74 3kgl s TYR 56 N 1.19 2.77 0.25 5.38 5.04 0.29 -0.68 117.35 131.61 3kgl s TYR 56 Ca 0.02 0.50 -0.30 0.00 -2.44 0.00 0.00 57.07 54.86 3kgl s TYR 56 Cb -0.14 -4.34 -0.09 0.00 0.35 0.00 0.00 41.96 37.74 3kgl s TYR 56 CO -0.10 -1.34 1.18 -0.51 -1.34 0.00 0.00 175.55 173.44 3kgl s LEU 57 N 4.41 4.49 -0.15 6.97 1.43 0.28 -2.18 118.68 133.93 3kgl s LEU 57 Ca 0.43 2.34 -0.34 0.00 -1.03 0.00 0.00 54.13 55.52 3kgl s LEU 57 Cb -0.08 -3.62 -0.16 0.00 0.03 0.00 0.00 46.19 42.36 3kgl s LEU 57 CO 0.28 -0.31 1.02 -2.65 0.23 0.00 0.00 176.35 174.92 3kgl n PRO 58 N 1.66 0.00 -4.08 1.29 -0.02 -1.24 -4.80 135.00 127.81 3kgl n PRO 58 Ca 0.01 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.35 3kgl n PRO 58 Cb 0.44 -1.20 -0.12 0.00 -0.02 0.00 0.00 33.50 32.61 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 0.92 0.98 0.38 2.55 1.04 -0.71 -1.87 113.70 116.99 3kgl s SER 59 Ca 0.77 -0.55 0.05 0.00 0.48 0.00 0.00 55.95 56.70 3kgl s SER 59 Cb -1.08 0.02 -0.06 0.00 0.10 0.00 0.00 66.02 64.99 3kgl s SER 59 CO 0.53 -0.18 0.04 0.72 0.98 0.00 0.00 173.24 175.34 3kgl s PHE 60 N -1.33 2.13 0.23 5.02 -0.12 -1.07 -1.05 117.98 121.79 3kgl s PHE 60 Ca -0.08 -0.89 0.00 0.00 -0.05 0.00 0.00 56.93 55.91 3kgl s PHE 60 Cb -0.10 -1.47 -0.04 0.00 -0.63 0.00 0.00 43.02 40.78 3kgl s PHE 60 CO 0.01 0.15 0.13 -0.06 -0.05 0.00 0.00 175.22 175.40 3kgl s PHE 61 N -3.05 1.30 -0.23 3.49 0.08 -1.26 -1.41 117.98 116.89 3kgl s PHE 61 Ca 0.32 -1.35 0.20 0.00 0.12 0.00 0.00 56.93 56.22 3kgl s PHE 61 Cb 0.08 -0.66 0.03 0.00 -0.57 0.00 0.00 43.02 41.90 3kgl s PHE 61 CO 0.15 -0.58 1.12 0.66 -0.10 0.00 0.00 175.22 176.47 3kgl h SER 62 N 2.52 0.00 -2.49 1.36 4.64 -1.93 -1.02 113.55 116.63 3kgl h SER 62 Ca -0.36 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.41 3kgl h SER 62 Cb 1.25 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.27 3kgl h SER 62 CO 0.54 0.19 -0.58 0.42 -0.87 0.00 0.00 176.83 176.53 3kgl s THR 63 N -3.20 4.21 0.65 2.95 -4.23 -1.26 -3.80 115.64 110.95 3kgl s THR 63 Ca 0.01 -1.36 -0.16 0.00 -1.18 0.00 0.00 61.69 59.00 3kgl s THR 63 Cb 0.08 -3.20 -0.01 0.00 1.34 0.00 0.00 72.50 70.72 3kgl s THR 63 CO 0.77 -0.23 1.12 0.00 -0.54 0.00 0.00 174.62 175.74 3kgl s ALA 64 N -1.96 2.49 0.13 3.99 0.00 -1.26 -4.12 121.76 121.03 3kgl s ALA 64 Ca 0.31 0.60 0.09 0.00 0.00 0.00 0.00 51.96 52.96 3kgl s ALA 64 Cb -0.09 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 3kgl s ALA 64 CO 0.23 -1.23 -0.23 0.15 0.00 0.00 0.00 175.76 174.68 3kgl s LYS 65 N -3.97 1.26 -0.27 0.00 1.02 -0.48 -2.77 119.74 114.53 3kgl s LYS 65 Ca 0.68 -1.28 -0.04 0.00 0.02 0.00 0.00 55.97 55.35 3kgl s LYS 65 Cb -0.21 -1.58 0.09 0.00 -0.52 0.00 0.00 37.83 35.61 3kgl s LYS 65 CO 0.40 0.36 0.13 -1.17 -0.92 0.00 0.00 175.35 174.15 3kgl s LEU 66 N -2.11 0.47 0.42 3.17 0.20 -0.95 -2.42 118.68 117.46 3kgl s LEU 66 Ca 0.11 -1.13 0.04 0.00 0.69 0.00 0.00 54.13 53.84 3kgl s LEU 66 Cb -0.09 -0.30 0.00 0.00 -0.43 0.00 0.00 46.19 45.37 3kgl s LEU 66 CO 0.06 -0.42 0.60 -0.44 -0.29 0.00 0.00 176.35 175.85 3kgl s SER 67 N 2.12 5.77 -0.18 3.68 0.01 0.77 -2.74 113.70 123.13 3kgl s SER 67 Ca 0.08 -0.04 -0.05 0.00 1.31 0.00 0.00 55.95 57.24 3kgl s SER 67 Cb -0.16 -1.19 0.09 0.00 0.21 0.00 0.00 66.02 64.97 3kgl s SER 67 CO -0.31 -0.68 0.34 0.12 0.41 0.00 0.00 173.24 173.12 3kgl s PHE 68 N -2.41 -0.63 -0.71 2.43 5.36 0.26 -0.78 117.98 121.50 3kgl s PHE 68 Ca 0.49 1.09 -0.26 0.00 -0.96 0.00 0.00 56.93 57.29 3kgl s PHE 68 Cb -0.10 0.07 -0.01 0.00 -0.34 0.00 0.00 43.02 42.65 3kgl s PHE 68 CO 0.35 -0.50 1.71 0.14 -1.46 0.00 0.00 175.22 175.46 3kgl s VAL 69 N 2.51 3.49 0.03 3.12 -7.23 -0.73 -1.05 120.40 120.54 3kgl s VAL 69 Ca 0.03 0.11 -0.18 0.00 -1.81 0.00 0.00 61.98 60.13 3kgl s VAL 69 Cb -0.13 -4.25 -0.24 0.00 0.56 0.00 0.00 36.38 32.33 3kgl s VAL 69 CO -0.12 -1.20 1.12 0.00 -0.31 0.00 0.00 175.10 174.59 3kgl h ALA 70 N 12.97 0.09 -3.12 1.32 0.00 -1.58 -2.15 119.26 126.79 3kgl h ALA 70 Ca -0.19 -0.61 -0.42 0.00 0.00 0.00 0.00 54.91 53.69 3kgl h ALA 70 Cb 1.10 0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.74 3kgl h ALA 70 CO 1.24 0.46 -0.77 0.15 0.00 0.00 0.00 179.25 180.33 3kgl s LYS 71 N -3.23 0.95 1.85 0.00 1.02 -1.15 -4.73 119.74 114.45 3kgl s LYS 71 Ca -0.12 -1.14 0.00 0.00 0.02 0.00 0.00 55.97 54.73 3kgl s LYS 71 Cb 0.05 -0.90 0.00 0.00 -0.52 0.00 0.00 37.83 36.46 3kgl s LYS 71 CO 0.85 0.18 0.00 0.41 -0.92 0.00 0.00 175.35 175.88 3kgl n GLY 72 N 0.82 0.07 3.64 -3.33 0.00 -1.26 -2.30 105.19 102.83 3kgl n GLY 72 Ca -0.18 -1.37 -0.03 0.00 0.00 0.00 0.00 46.02 44.44 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 0.13 0.00 1.61 2.12 -1.26 -2.61 118.70 118.69 3kgl s GLU 73 Ca 0.00 0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.38 3kgl s GLU 73 Cb 0.00 0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.45 3kgl s GLU 73 CO 0.00 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 3kgl n GLY 74 N 0.74 -1.26 3.75 -1.50 0.00 -0.30 -4.22 105.19 102.39 3kgl n GLY 74 Ca -0.03 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 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 3.62 -0.06 0.99 1.43 0.31 -1.24 118.68 123.73 3kgl s LEU 75 Ca 0.00 -0.25 -0.27 0.00 -1.03 0.00 0.00 54.13 52.58 3kgl s LEU 75 Cb 0.00 -2.24 0.06 0.00 0.03 0.00 0.00 46.19 44.05 3kgl s LEU 75 CO 0.00 0.06 0.61 0.00 0.23 0.00 0.00 176.35 177.25 3kgl s MET 76 N -3.15 0.96 -0.02 1.70 0.23 -1.10 0.35 119.30 118.26 3kgl s MET 76 Ca 0.30 0.25 -0.00 0.00 -1.03 0.00 0.00 55.69 55.20 3kgl s MET 76 Cb -0.09 0.45 0.02 0.00 -1.53 0.00 0.00 34.83 33.68 3kgl s MET 76 CO 0.22 -0.28 0.03 0.20 -2.03 0.00 0.00 175.02 173.16 3kgl s GLY 77 N -1.06 0.04 0.43 3.16 0.00 -0.87 -0.45 107.32 108.57 3kgl s GLY 77 Ca -0.10 0.24 -0.01 0.00 0.00 0.00 0.00 44.72 44.85 3kgl s GLY 77 CO 0.08 0.46 0.66 0.50 0.00 0.00 0.00 173.10 174.80 3kgl s ARG 78 N 0.66 3.23 -0.35 2.90 0.52 -1.26 -2.40 118.95 122.25 3kgl s ARG 78 Ca -0.05 -0.35 0.01 0.00 -0.52 0.00 0.00 55.73 54.81 3kgl s ARG 78 Cb -0.08 -2.55 0.14 0.00 0.52 0.00 0.00 34.95 32.98 3kgl s ARG 78 CO -0.02 -0.16 0.25 0.08 0.02 0.00 0.00 175.30 175.47 3kgl s VAL 79 N -2.53 -0.02 0.32 3.52 1.01 -0.91 -4.69 120.40 117.10 3kgl s VAL 79 Ca 0.46 -1.42 -0.23 0.00 0.00 0.00 0.00 61.98 60.79 3kgl s VAL 79 Cb -0.10 -0.98 -0.10 0.00 0.00 0.00 0.00 36.38 35.21 3kgl s VAL 79 CO 0.38 -0.85 0.88 0.68 0.00 0.00 0.00 175.10 176.20 3kgl s VAL 80 N 1.26 4.35 -0.74 2.92 -7.23 -1.26 -3.57 120.40 116.13 3kgl s VAL 80 Ca 0.17 1.60 -0.29 0.00 -1.81 0.00 0.00 61.98 61.65 3kgl s VAL 80 Cb -0.20 -3.89 -0.14 0.00 0.56 0.00 0.00 36.38 32.70 3kgl s VAL 80 CO -0.03 0.07 2.55 -0.81 -0.31 0.00 0.00 175.10 176.57 3kgl n PRO 81 N 0.36 0.53 -0.86 4.82 -0.04 -1.26 -3.36 135.00 135.19 3kgl n PRO 81 Ca 0.02 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 3kgl n PRO 81 Cb 0.51 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 3kgl n PRO 81 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kgl n GLY 82 N 6.26 0.83 3.75 0.55 0.00 -1.26 -5.02 105.19 110.30 3kgl n GLY 82 Ca 0.51 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.12 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 1.75 -0.70 -2.87 0.00 0.00 -1.26 -4.85 120.51 112.59 3kgl n ALA 84 Ca 0.02 0.36 -0.44 0.00 0.00 0.00 0.00 53.44 53.38 3kgl n ALA 84 Cb 0.44 -1.85 -0.01 0.00 0.00 0.00 0.00 19.45 18.03 3kgl n ALA 84 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3kgl s GLU 85 N 3.89 3.82 3.42 0.00 8.01 -1.26 -4.89 118.70 131.69 3kgl s GLU 85 Ca 1.04 -2.03 0.00 0.00 0.01 0.00 0.00 54.97 53.99 3kgl s GLU 85 Cb -1.40 -5.07 0.00 0.00 -4.31 0.00 0.00 34.13 23.35 3kgl s GLU 85 CO 0.71 -1.86 0.00 2.41 0.01 0.00 0.00 175.26 176.53 3kgl n THR 86 N 5.38 0.00 0.00 3.63 -1.04 -1.24 -4.02 114.28 116.99 3kgl n THR 86 Ca 0.32 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.33 3kgl n THR 86 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 3kgl n THR 86 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kgl n GLY 138 N 0.00 0.00 3.06 3.41 0.00 -1.26 -5.05 105.19 105.35 3kgl n GLY 138 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3kgl n GLY 138 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kgl s PHE 139 N 0.00 3.41 -0.82 1.61 0.40 -1.26 -4.84 117.98 116.48 3kgl s PHE 139 Ca 0.00 -2.89 0.03 0.00 -0.60 0.00 0.00 56.93 53.47 3kgl s PHE 139 Cb 0.00 -3.10 0.17 0.00 0.51 0.00 0.00 43.02 40.60 3kgl s PHE 139 CO 0.00 -0.79 0.77 2.89 0.70 0.00 0.00 175.22 178.79 3kgl n ARG 140 N 3.18 1.78 -2.14 0.44 0.00 -1.26 -4.72 116.66 113.94 3kgl n ARG 140 Ca 0.10 -0.64 -0.42 0.00 -0.00 0.00 0.00 57.85 56.89 3kgl n ARG 140 Cb 0.36 -1.64 -0.03 0.00 -0.00 0.00 0.00 32.46 31.15 3kgl n ARG 140 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3kgl s ASP 141 N -0.14 6.80 -0.23 2.89 2.15 -1.26 -5.01 116.67 121.87 3kgl s ASP 141 Ca 0.11 2.46 -0.07 0.00 0.43 0.00 0.00 52.55 55.48 3kgl s ASP 141 Cb 0.08 -2.61 -0.03 0.00 -0.30 0.00 0.00 42.92 40.07 3kgl s ASP 141 CO 0.03 -0.62 0.07 -0.04 -0.17 0.00 0.00 175.17 174.44 3kgl s MET 142 N 0.20 3.72 0.14 4.34 -1.94 -1.26 -4.58 119.30 119.93 3kgl s MET 142 Ca 0.60 -0.45 -0.10 0.00 -1.71 0.00 0.00 55.69 54.03 3kgl s MET 142 Cb -0.38 -3.30 -0.00 0.00 2.01 0.00 0.00 34.83 33.15 3kgl s MET 142 CO 0.37 -0.09 0.28 -3.38 -0.01 0.00 0.00 175.02 172.19 3kgl s HIS 143 N 1.35 0.27 0.63 -0.03 -3.43 -1.26 -4.91 115.29 107.91 3kgl s HIS 143 Ca 0.05 -0.64 -0.16 0.00 -0.80 0.00 0.00 55.06 53.51 3kgl s HIS 143 Cb -0.15 -0.01 -0.02 0.00 -1.43 0.00 0.00 32.58 30.97 3kgl s HIS 143 CO 0.04 -0.68 1.11 -0.65 -2.00 0.00 0.00 174.74 172.55 3kgl s GLN 144 N -3.92 2.99 -0.36 -0.38 -0.21 -1.26 -3.59 119.66 112.93 3kgl s GLN 144 Ca 0.13 1.41 -0.42 0.00 0.02 0.00 0.00 55.36 56.49 3kgl s GLN 144 Cb 0.03 -1.97 -0.17 0.00 1.00 0.00 0.00 33.01 31.90 3kgl s GLN 144 CO -0.04 -1.11 1.74 1.17 -2.12 0.00 0.00 175.29 174.94 3kgl n LYS 145 N -2.14 0.78 -3.16 2.91 0.00 -1.26 -4.90 118.16 110.39 3kgl n LYS 145 Ca 0.10 0.28 -0.41 0.00 0.00 0.00 0.00 58.31 58.28 3kgl n LYS 145 Cb 0.52 -1.93 -0.07 0.00 0.00 0.00 0.00 35.03 33.55 3kgl n LYS 145 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3kgl s VAL 146 N 3.67 4.95 0.74 3.15 1.01 -1.26 -4.25 120.40 128.41 3kgl s VAL 146 Ca 1.02 0.59 -0.01 0.00 0.00 0.00 0.00 61.98 63.58 3kgl s VAL 146 Cb -1.20 -4.01 0.14 0.00 0.00 0.00 0.00 36.38 31.31 3kgl s VAL 146 CO 0.70 -0.22 1.02 -0.70 0.00 0.00 0.00 175.10 175.90 3kgl s GLU 147 N 2.57 1.56 -0.09 2.72 2.12 0.40 -4.93 118.70 123.06 3kgl s GLU 147 Ca 0.23 -1.14 -0.00 0.00 0.36 0.00 0.00 54.97 54.41 3kgl s GLU 147 Cb -0.15 -2.31 0.02 0.00 0.26 0.00 0.00 34.13 31.96 3kgl s GLU 147 CO 0.13 -1.55 -0.05 -3.38 -0.54 0.00 0.00 175.26 169.87 3kgl s HIS 148 N -3.20 1.14 0.06 5.30 0.00 -1.26 -2.71 115.29 114.62 3kgl s HIS 148 Ca 0.67 -0.47 0.08 0.00 -3.00 0.00 0.00 55.06 52.34 3kgl s HIS 148 Cb -0.05 -1.01 -0.03 0.00 -4.00 0.00 0.00 32.58 27.50 3kgl s HIS 148 CO 0.45 -0.39 -0.23 0.96 -1.00 0.00 0.00 174.74 174.54 3kgl s ILE 149 N 1.55 1.85 0.01 -5.38 -4.36 -0.37 -4.99 121.20 109.51 3kgl s ILE 149 Ca 0.00 -1.35 -0.08 0.00 -0.26 0.00 0.00 60.65 58.97 3kgl s ILE 149 Cb -0.13 -1.61 0.00 0.00 1.25 0.00 0.00 42.46 41.96 3kgl s ILE 149 CO -0.05 0.20 0.14 -0.60 0.24 0.00 0.00 174.94 174.87 3kgl s ARG 150 N -1.39 0.53 -0.12 0.37 3.52 -1.26 -1.15 118.95 119.45 3kgl s ARG 150 Ca 0.09 -0.48 -0.39 0.00 -0.13 0.00 0.00 55.73 54.82 3kgl s ARG 150 Cb -0.09 0.22 -0.17 0.00 -1.56 0.00 0.00 34.95 33.35 3kgl s ARG 150 CO 0.03 -0.13 1.50 2.41 -0.81 0.00 0.00 175.30 178.29 3kgl n THR 151 N 1.24 0.13 0.00 4.11 -1.04 -1.07 -1.14 114.28 116.50 3kgl n THR 151 Ca -0.22 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 3kgl n THR 151 Cb 0.56 -0.87 0.00 0.00 -1.82 0.00 0.00 70.33 68.20 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 3.23 1.27 3.76 3.41 0.00 -0.81 -4.82 105.19 111.24 3kgl n GLY 152 Ca 0.23 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 3kgl n GLY 152 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kgl s ASP 153 N -0.58 5.93 -0.17 1.61 1.01 -0.29 -1.09 116.67 123.09 3kgl s ASP 153 Ca 0.00 2.77 -0.00 0.00 0.71 0.00 0.00 52.55 56.03 3kgl s ASP 153 Cb 0.00 -2.64 0.04 0.00 1.01 0.00 0.00 42.92 41.33 3kgl s ASP 153 CO 0.00 -1.12 -0.06 -0.89 0.21 0.00 0.00 175.17 173.30 3kgl s THR 154 N -1.26 1.20 -0.20 -1.27 2.01 -0.20 -1.77 115.64 114.14 3kgl s THR 154 Ca 0.62 -0.70 -0.06 0.00 0.31 0.00 0.00 61.69 61.86 3kgl s THR 154 Cb -0.40 -1.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 3kgl s THR 154 CO 0.51 0.13 0.02 -0.63 -0.69 0.00 0.00 174.62 173.96 3kgl s ILE 155 N 1.59 4.13 -0.06 1.82 1.09 0.04 -3.05 121.20 126.75 3kgl s ILE 155 Ca 0.00 -0.25 -0.20 0.00 -1.10 0.00 0.00 60.65 59.10 3kgl s ILE 155 Cb -0.15 -2.88 -0.05 0.00 -1.06 0.00 0.00 42.46 38.32 3kgl s ILE 155 CO -0.08 0.42 0.56 0.00 -0.10 0.00 0.00 174.94 175.74 3kgl s ALA 156 N 0.99 3.46 -0.04 9.38 0.00 -0.82 -0.16 121.76 134.57 3kgl s ALA 156 Ca 0.02 -0.04 0.02 0.00 0.00 0.00 0.00 51.96 51.95 3kgl s ALA 156 Cb -0.14 -2.73 0.02 0.00 0.00 0.00 0.00 23.12 20.26 3kgl s ALA 156 CO 0.02 0.06 -0.07 0.99 0.00 0.00 0.00 175.76 176.76 3kgl s THR 157 N 0.29 0.71 0.86 0.00 2.01 -1.01 -4.90 115.64 113.60 3kgl s THR 157 Ca 0.30 -0.25 -0.13 0.00 0.31 0.00 0.00 61.69 61.92 3kgl s THR 157 Cb -0.17 -0.69 0.12 0.00 0.01 0.00 0.00 72.50 71.77 3kgl s THR 157 CO 0.15 0.25 1.20 -1.00 -0.69 0.00 0.00 174.62 174.53 3kgl s HIS 158 N 0.68 2.57 0.00 4.92 3.76 -1.26 -1.38 115.29 124.58 3kgl s HIS 158 Ca -0.11 0.67 -0.30 0.00 -0.15 0.00 0.00 55.06 55.17 3kgl s HIS 158 Cb -0.13 -3.61 -0.06 0.00 1.11 0.00 0.00 32.58 29.88 3kgl s HIS 158 CO 0.01 -2.07 1.53 -2.14 -0.85 0.00 0.00 174.74 171.22 3kgl s PRO 159 N -5.60 4.23 0.00 8.40 0.02 -1.26 -3.06 135.00 137.73 3kgl s PRO 159 Ca 0.65 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.79 3kgl s PRO 159 Cb -0.10 -3.69 0.00 0.00 0.02 0.00 0.00 34.50 30.74 3kgl s PRO 159 CO 0.50 -0.69 0.00 0.41 -0.33 0.00 0.00 177.00 176.89 3kgl n GLY 160 N 3.87 1.58 3.72 0.52 0.00 -0.39 -4.99 105.19 109.49 3kgl n GLY 160 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.40 4.73 0.22 1.61 1.01 -1.17 -4.85 120.40 119.54 3kgl s VAL 161 Ca 0.00 2.05 -0.19 0.00 0.00 0.00 0.00 61.98 63.84 3kgl s VAL 161 Cb 0.00 -4.31 -0.08 0.00 0.00 0.00 0.00 36.38 31.99 3kgl s VAL 161 CO 0.00 0.21 0.71 0.00 0.00 0.00 0.00 175.10 176.01 3kgl s ALA 162 N 0.69 3.43 0.01 5.51 0.00 -1.23 -4.39 121.76 125.78 3kgl s ALA 162 Ca 0.51 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.60 3kgl s ALA 162 Cb -0.22 -2.79 -0.01 0.00 0.00 0.00 0.00 23.12 20.10 3kgl s ALA 162 CO 0.29 0.34 -0.02 -0.65 0.00 0.00 0.00 175.76 175.71 3kgl s GLN 163 N -2.02 0.22 0.03 0.00 -0.21 -0.22 -2.15 119.66 115.31 3kgl s GLN 163 Ca 0.43 -0.36 -0.01 0.00 0.02 0.00 0.00 55.36 55.44 3kgl s GLN 163 Cb -0.16 -0.01 -0.02 0.00 1.00 0.00 0.00 33.01 33.82 3kgl s GLN 163 CO 0.21 -0.01 -0.01 1.67 -2.12 0.00 0.00 175.29 175.03 3kgl s TRP 164 N -0.79 0.30 0.03 0.91 1.48 -1.01 -1.74 118.94 118.12 3kgl s TRP 164 Ca -0.08 -0.62 0.05 0.00 -1.06 0.00 0.00 56.10 54.39 3kgl s TRP 164 Cb -0.06 -0.22 -0.02 0.00 -1.16 0.00 0.00 33.47 32.01 3kgl s TRP 164 CO -0.00 -0.25 -0.15 -0.06 -4.06 0.00 0.00 176.95 172.42 3kgl s PHE 165 N -2.08 1.35 -0.07 1.66 0.08 -0.92 -2.06 117.98 115.94 3kgl s PHE 165 Ca -0.10 -0.34 -0.01 0.00 0.12 0.00 0.00 56.93 56.60 3kgl s PHE 165 Cb -0.05 -0.81 0.03 0.00 -0.57 0.00 0.00 43.02 41.61 3kgl s PHE 165 CO -0.03 0.04 -0.02 -0.47 -0.10 0.00 0.00 175.22 174.64 3kgl s TYR 166 N -0.78 0.73 -0.86 0.36 5.04 0.15 -0.54 117.35 121.45 3kgl s TYR 166 Ca 0.03 -0.21 -0.22 0.00 -2.44 0.00 0.00 57.07 54.23 3kgl s TYR 166 Cb -0.08 -0.78 0.08 0.00 0.35 0.00 0.00 41.96 41.53 3kgl s TYR 166 CO 0.01 -0.30 1.21 1.21 -1.34 0.00 0.00 175.55 176.35 3kgl s ASN 167 N 1.63 6.40 0.34 4.32 3.04 -0.90 0.12 114.94 129.90 3kgl s ASN 167 Ca 0.00 -1.35 0.18 0.00 0.04 0.00 0.00 52.86 51.74 3kgl s ASN 167 Cb -0.13 -2.48 0.27 0.00 -1.54 0.00 0.00 41.25 37.37 3kgl s ASN 167 CO -0.04 -1.42 1.55 -2.24 -3.04 0.00 0.00 177.10 171.91 3kgl h ASP 168 N 9.50 0.00 -2.81 -4.21 3.04 -1.90 -0.50 116.42 119.53 3kgl h ASP 168 Ca -0.01 0.00 -0.27 0.00 -3.24 0.00 0.00 57.03 53.51 3kgl h ASP 168 Cb 1.04 0.00 0.13 0.00 -1.04 0.00 0.00 39.33 39.46 3kgl h ASP 168 CO 1.25 0.34 0.10 0.61 -2.04 0.00 0.00 179.24 179.51 3kgl n GLY 169 N 1.02 -2.54 0.24 7.15 0.00 -1.26 -4.82 105.19 104.97 3kgl n GLY 169 Ca 0.02 -1.50 0.07 0.00 0.00 0.00 0.00 46.02 44.61 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 -4.20 1.26 -4.95 1.61 3.02 -1.26 -4.31 115.26 106.43 3kgl n ASN 170 Ca 0.10 -1.13 -0.21 0.00 -0.03 0.00 0.00 54.58 53.32 3kgl n ASN 170 Cb 0.40 0.60 -0.02 0.00 -0.61 0.00 0.00 39.78 40.15 3kgl n ASN 170 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3kgl s GLN 171 N -1.84 3.23 0.54 3.52 -0.21 -1.26 -4.73 119.66 118.91 3kgl s GLN 171 Ca 0.10 -0.91 -0.22 0.00 0.02 0.00 0.00 55.36 54.35 3kgl s GLN 171 Cb 0.11 -2.80 -0.05 0.00 1.00 0.00 0.00 33.01 31.27 3kgl s GLN 171 CO 0.40 0.30 1.32 -2.14 -2.12 0.00 0.00 175.29 173.05 3kgl s PRO 172 N -4.02 3.21 -0.48 2.91 0.02 -1.26 -4.61 135.00 130.77 3kgl s PRO 172 Ca 0.37 2.14 -0.10 0.00 0.02 0.00 0.00 61.00 63.43 3kgl s PRO 172 Cb -0.09 -2.25 0.12 0.00 0.02 0.00 0.00 34.50 32.30 3kgl s PRO 172 CO 0.29 -1.11 0.37 -1.17 -0.33 0.00 0.00 177.00 175.05 3kgl s LEU 173 N -3.50 5.75 -0.35 -5.54 2.96 -0.09 -4.04 118.68 113.87 3kgl s LEU 173 Ca 0.71 -1.86 -0.20 0.00 -0.22 0.00 0.00 54.13 52.56 3kgl s LEU 173 Cb -0.38 -2.05 0.00 0.00 0.50 0.00 0.00 46.19 44.26 3kgl s LEU 173 CO 0.45 -0.71 0.62 -0.69 -1.32 0.00 0.00 176.35 174.69 3kgl s VAL 174 N 1.41 4.91 -0.23 1.68 1.01 -0.97 -1.64 120.40 126.56 3kgl s VAL 174 Ca 0.05 0.56 0.02 0.00 0.00 0.00 0.00 61.98 62.62 3kgl s VAL 174 Cb -0.27 -4.05 0.05 0.00 0.00 0.00 0.00 36.38 32.11 3kgl s VAL 174 CO 0.00 -0.29 -0.14 -0.63 0.00 0.00 0.00 175.10 174.05 3kgl s ILE 175 N 2.65 2.10 -0.18 2.22 1.01 -0.66 -1.44 121.20 126.90 3kgl s ILE 175 Ca 0.24 -1.38 -0.13 0.00 0.00 0.00 0.00 60.65 59.37 3kgl s ILE 175 Cb -0.15 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 40.16 3kgl s ILE 175 CO 0.14 0.16 0.26 -0.69 0.00 0.00 0.00 174.94 174.81 3kgl s VAL 176 N 1.18 5.32 0.01 2.92 1.01 -0.21 -1.06 120.40 129.57 3kgl s VAL 176 Ca -0.04 0.46 -0.07 0.00 0.00 0.00 0.00 61.98 62.33 3kgl s VAL 176 Cb -0.18 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.61 3kgl s VAL 176 CO -0.08 0.38 0.13 -0.94 0.00 0.00 0.00 175.10 174.60 3kgl s SER 177 N 0.54 0.04 0.18 3.32 1.04 -0.32 0.92 113.70 119.43 3kgl s SER 177 Ca 0.14 -0.23 0.11 0.00 0.48 0.00 0.00 55.95 56.45 3kgl s SER 177 Cb -0.13 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 3kgl s SER 177 CO 0.03 -0.38 -0.24 0.54 0.98 0.00 0.00 173.24 174.18 3kgl s VAL 178 N -1.45 2.39 -0.12 5.02 0.11 -1.11 -1.38 120.40 123.88 3kgl s VAL 178 Ca -0.14 -1.98 -0.00 0.00 -2.93 0.00 0.00 61.98 56.92 3kgl s VAL 178 Cb -0.07 -2.14 0.03 0.00 -1.53 0.00 0.00 36.38 32.66 3kgl s VAL 178 CO 0.01 -0.09 -0.07 -0.76 -3.33 0.00 0.00 175.10 170.86 3kgl s LEU 179 N -2.61 1.21 -0.90 2.54 1.43 -1.02 -2.25 118.68 117.10 3kgl s LEU 179 Ca 0.20 -0.33 -0.23 0.00 -1.03 0.00 0.00 54.13 52.74 3kgl s LEU 179 Cb -0.08 -0.84 0.07 0.00 0.03 0.00 0.00 46.19 45.37 3kgl s LEU 179 CO 0.10 -0.13 1.27 -0.62 0.23 0.00 0.00 176.35 177.20 3kgl s ASP 180 N 1.71 6.43 0.10 2.29 2.15 -1.11 -1.64 116.67 126.59 3kgl s ASP 180 Ca 0.05 -1.36 -0.11 0.00 0.43 0.00 0.00 52.55 51.56 3kgl s ASP 180 Cb -0.13 -2.50 -0.15 0.00 -0.30 0.00 0.00 42.92 39.84 3kgl s ASP 180 CO -0.08 -1.44 1.28 -0.07 -0.17 0.00 0.00 175.17 174.69 3kgl h LEU 181 N 12.03 0.84 0.00 -1.34 4.07 -0.77 -3.23 115.31 126.91 3kgl h LEU 181 Ca 0.04 -0.61 0.00 0.00 0.08 0.00 0.00 57.88 57.39 3kgl h LEU 181 Cb 1.03 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.52 3kgl h LEU 181 CO 1.29 1.40 0.00 0.00 -1.08 0.00 0.00 178.44 180.05 3kgl n ALA 182 N -2.60 2.49 -1.77 1.53 0.00 -0.57 -4.72 120.51 114.87 3kgl n ALA 182 Ca -0.08 -0.15 -0.38 0.00 0.00 0.00 0.00 53.44 52.83 3kgl n ALA 182 Cb 0.80 -1.49 -0.05 0.00 0.00 0.00 0.00 19.45 18.72 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 -2.52 7.10 0.40 0.00 0.15 -1.22 -4.91 113.70 112.70 3kgl s SER 183 Ca 0.30 2.11 0.22 0.00 0.70 0.00 0.00 55.95 59.28 3kgl s SER 183 Cb 0.20 -2.60 1.20 0.00 -1.71 0.00 0.00 66.02 63.11 3kgl s SER 183 CO 0.45 -0.25 1.64 1.12 1.20 0.00 0.00 173.24 177.40 3kgl h HIS 184 N 3.25 0.00 0.00 3.44 2.07 -1.91 -1.66 115.15 120.34 3kgl h HIS 184 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 3kgl h HIS 184 Cb 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 3kgl h HIS 184 CO 0.59 0.00 0.00 1.96 -3.07 0.00 0.00 177.93 177.41 3kgl h GLN 185 N 0.00 0.00 -5.40 5.12 4.20 -1.90 -3.38 115.11 113.75 3kgl h GLN 185 Ca 0.00 0.00 -0.64 0.00 0.06 0.00 0.00 58.65 58.07 3kgl h GLN 185 Cb 0.29 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.92 3kgl h GLN 185 CO 0.00 0.00 0.42 1.21 -0.67 0.00 0.00 178.83 179.79 3kgl s ASN 186 N -5.57 6.23 0.00 1.46 2.47 -0.63 -4.72 114.94 114.19 3kgl s ASN 186 Ca 0.02 -0.84 0.20 0.00 0.42 0.00 0.00 52.86 52.66 3kgl s ASN 186 Cb 0.09 -2.39 0.64 0.00 -1.45 0.00 0.00 41.25 38.14 3kgl s ASN 186 CO 0.54 -1.25 1.49 0.00 -3.72 0.00 0.00 177.10 174.16 3kgl n GLN 187 N 7.23 1.84 0.00 0.43 1.13 -1.26 -4.64 117.38 122.11 3kgl n GLN 187 Ca -0.03 -1.27 0.00 0.00 -1.94 0.00 0.00 57.00 53.76 3kgl n GLN 187 Cb 0.46 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.42 3kgl n GLN 187 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3kgl n LEU 188 N 0.50 0.00 -4.26 1.08 4.32 -1.26 -5.14 117.00 112.24 3kgl n LEU 188 Ca 0.16 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 56.01 3kgl n LEU 188 Cb 0.36 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.06 3kgl n LEU 188 CO 0.13 0.00 -0.30 -0.62 -1.22 0.00 0.00 177.39 175.37 3kgl s ASP 189 N -1.00 1.15 -0.11 -1.43 3.68 -1.26 -5.02 116.67 112.68 3kgl s ASP 189 Ca 0.00 -1.24 -0.04 0.00 2.13 0.00 0.00 52.55 53.40 3kgl s ASP 189 Cb 0.00 0.15 -0.10 0.00 -1.45 0.00 0.00 42.92 41.51 3kgl s ASP 189 CO 0.00 -0.63 2.95 -1.14 0.13 0.00 0.00 175.17 176.48 3kgl n ARG 190 N -0.31 1.81 -3.76 4.34 3.00 -1.26 -4.81 116.66 115.68 3kgl n ARG 190 Ca -0.04 -1.04 -0.14 0.00 -0.00 0.00 0.00 57.85 56.63 3kgl n ARG 190 Cb 0.64 -1.75 -0.15 0.00 0.00 0.00 0.00 32.46 31.20 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 1.55 -0.06 -0.05 6.15 0.01 -1.26 -5.02 114.94 116.26 3kgl s ASN 191 Ca 0.46 0.22 -0.30 0.00 -0.71 0.00 0.00 52.86 52.54 3kgl s ASN 191 Cb 0.25 0.11 -0.08 0.00 0.41 0.00 0.00 41.25 41.94 3kgl s ASN 191 CO -0.04 -0.14 2.04 -2.65 -1.51 0.00 0.00 177.10 174.80 3kgl n PRO 192 N 4.19 2.53 -3.99 -0.60 -0.02 -1.26 -4.94 135.00 130.91 3kgl n PRO 192 Ca -0.27 0.87 -0.31 0.00 -2.02 0.00 0.00 63.50 61.78 3kgl n PRO 192 Cb 0.51 -3.03 -0.15 0.00 -0.02 0.00 0.00 33.50 30.81 3kgl n PRO 192 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3kgl s ARG 193 N 5.00 1.70 0.16 -0.52 0.52 -1.26 -4.96 118.95 119.59 3kgl s ARG 193 Ca 0.93 -2.20 -0.28 0.00 -0.52 0.00 0.00 55.73 53.66 3kgl s ARG 193 Cb -0.44 -3.26 -0.08 0.00 0.52 0.00 0.00 34.95 31.70 3kgl s ARG 193 CO 0.41 -1.01 0.87 -1.25 0.02 0.00 0.00 175.30 174.34 3kgl s PRO 194 N 0.39 4.69 -0.37 3.54 0.05 -1.26 -3.92 135.00 138.12 3kgl s PRO 194 Ca 0.14 1.33 -0.03 0.00 0.05 0.00 0.00 61.00 62.48 3kgl s PRO 194 Cb -0.22 -3.31 0.08 0.00 0.05 0.00 0.00 34.50 31.11 3kgl s PRO 194 CO -0.05 0.44 0.13 -0.06 0.05 0.00 0.00 177.00 177.52 3kgl s PHE 195 N -0.77 3.44 0.02 0.56 2.99 -0.50 -5.00 117.98 118.71 3kgl s PHE 195 Ca 0.40 -2.09 -0.30 0.00 0.00 0.00 0.00 56.93 54.94 3kgl s PHE 195 Cb -0.24 -2.77 -0.04 0.00 0.00 0.00 0.00 43.02 39.98 3kgl s PHE 195 CO 0.29 -0.89 1.01 0.71 -0.00 0.00 0.00 175.22 176.34 3kgl s TYR 196 N 1.22 3.64 -0.70 0.36 2.02 -1.26 -2.59 117.35 120.03 3kgl s TYR 196 Ca 0.03 1.65 0.24 0.00 -0.37 0.00 0.00 57.07 58.61 3kgl s TYR 196 Cb -0.21 -3.16 0.27 0.00 -0.40 0.00 0.00 41.96 38.45 3kgl s TYR 196 CO -0.02 -0.19 1.23 1.28 -1.57 0.00 0.00 175.55 176.28 3kgl n LEU 197 N 3.81 0.63 0.00 -1.29 4.32 -0.78 -0.82 117.00 122.88 3kgl n LEU 197 Ca 0.06 0.09 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 3kgl n LEU 197 Cb 0.50 -0.16 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 3kgl n LEU 197 CO 0.52 0.02 0.00 0.00 -1.22 0.00 0.00 177.39 176.71 3kgl n ALA 198 N -1.76 1.40 -2.02 -1.18 0.00 -1.26 -4.64 120.51 111.05 3kgl n ALA 198 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 3kgl n ALA 198 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 3kgl n ALA 198 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kgl s GLY 199 N -2.53 1.77 -0.12 0.00 0.00 -1.26 -4.68 107.32 100.49 3kgl s GLY 199 Ca 0.00 1.27 -0.12 0.00 0.00 0.00 0.00 44.72 45.87 3kgl s GLY 199 CO 0.00 2.50 0.26 0.21 0.00 0.00 0.00 173.10 176.07 3kgl s ASN 200 N 1.08 6.48 -0.27 1.64 3.04 -1.26 -3.52 114.94 122.13 3kgl s ASN 200 Ca 0.67 0.57 0.01 0.00 0.04 0.00 0.00 52.86 54.15 3kgl s ASN 200 Cb -0.41 -2.16 0.08 0.00 -1.54 0.00 0.00 41.25 37.22 3kgl s ASN 200 CO 0.31 0.23 0.01 0.21 -3.04 0.00 0.00 177.10 174.83 3kgl s ASN 201 N -0.25 4.03 0.33 -4.21 2.47 0.34 -3.20 114.94 114.45 3kgl s ASN 201 Ca 0.17 -1.48 0.04 0.00 0.42 0.00 0.00 52.86 52.01 3kgl s ASN 201 Cb -0.13 -1.16 0.58 0.00 -1.45 0.00 0.00 41.25 39.09 3kgl s ASN 201 CO 0.05 -0.32 1.86 -0.65 -3.72 0.00 0.00 177.10 174.33 3kgl h PRO 202 N 7.93 0.54 0.00 0.43 0.11 -1.87 0.30 132.00 139.45 3kgl h PRO 202 Ca -0.14 -0.12 -0.05 0.00 0.11 0.00 0.00 66.00 65.80 3kgl h PRO 202 Cb 1.05 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 3kgl h PRO 202 CO 0.45 0.57 -0.26 1.96 -0.21 0.00 0.00 178.00 180.51 3kgl h GLN 203 N 0.52 0.00 0.00 1.05 4.20 -1.94 -3.34 115.11 115.60 3kgl h GLN 203 Ca 0.11 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.88 3kgl h GLN 203 Cb 0.35 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 3kgl h GLN 203 CO 0.01 0.26 -0.08 0.41 -0.67 0.00 0.00 178.83 178.76 3kgl n GLY 204 N -0.11 -1.42 2.77 3.46 0.00 -1.02 -4.29 105.19 104.58 3kgl n GLY 204 Ca -0.01 -1.15 -0.27 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.85 1.83 0.27 1.61 6.02 -1.26 -4.67 117.38 119.33 3kgl n GLN 205 Ca 0.00 -1.53 0.18 0.00 -0.01 0.00 0.00 57.00 55.63 3kgl n GLN 205 Cb 0.10 -2.57 0.93 0.00 1.02 0.00 0.00 30.24 29.72 3kgl n GLN 205 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 3kgl h VAL 206 N 3.77 0.35 -0.00 5.09 -1.51 -1.93 -1.71 116.25 120.30 3kgl h VAL 206 Ca 0.45 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.92 3kgl h VAL 206 Cb 0.30 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.36 3kgl h VAL 206 CO 1.58 0.00 -0.12 -2.67 -1.23 0.00 0.00 177.57 175.13 3kgl n TRP 207 N -3.59 0.00 -4.01 5.19 2.14 -1.26 -4.79 117.44 111.11 3kgl n TRP 207 Ca -0.01 0.00 -0.28 0.00 2.07 0.00 0.00 57.50 59.28 3kgl n TRP 207 Cb 0.22 -0.18 -0.05 0.00 -0.81 0.00 0.00 31.31 30.49 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 -2.47 4.86 -0.04 -1.67 1.01 -0.65 -4.88 121.20 117.37 3kgl s ILE 208 Ca 0.29 -0.79 0.12 0.00 0.00 0.00 0.00 60.65 60.27 3kgl s ILE 208 Cb 0.20 -3.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 3kgl s ILE 208 CO 0.48 -0.01 1.40 -0.08 0.00 0.00 0.00 174.94 176.72 3kgl h GLU 209 N 2.65 0.00 -1.38 2.79 4.81 -1.87 -3.37 114.58 118.22 3kgl h GLU 209 Ca -0.47 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.16 3kgl h GLU 209 Cb 1.18 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.16 3kgl h GLU 209 CO 0.67 0.68 -0.57 0.41 -0.73 0.00 0.00 179.01 179.47 3kgl n GLY 210 N 1.23 6.05 0.03 1.92 0.00 -1.26 -4.65 105.19 108.50 3kgl n GLY 210 Ca 0.01 -2.72 0.05 0.00 0.00 0.00 0.00 46.02 43.37 3kgl n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kgl n ARG 211 N -0.54 3.12 -3.86 1.61 5.12 -1.26 -5.01 116.66 115.83 3kgl n ARG 211 Ca 0.42 -0.07 -0.25 0.00 -1.93 0.00 0.00 57.85 56.02 3kgl n ARG 211 Cb 0.69 -1.05 -0.06 0.00 -1.16 0.00 0.00 32.46 30.89 3kgl n ARG 211 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3kgl n GLU 212 N -1.15 -0.87 -2.53 5.56 1.02 -1.26 -2.34 120.64 119.07 3kgl n GLU 212 Ca 0.02 0.04 -0.17 0.00 -0.02 0.00 0.00 57.16 57.04 3kgl n GLU 212 Cb 0.18 -2.46 0.01 0.00 -0.02 0.00 0.00 31.44 29.15 3kgl n GLU 212 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3kgl n GLN 213 N -3.69 -2.33 -4.02 3.49 6.02 -1.26 -5.01 117.38 110.59 3kgl n GLN 213 Ca -0.22 0.75 -0.21 0.00 -0.01 0.00 0.00 57.00 57.31 3kgl n GLN 213 Cb 0.50 -5.17 -0.03 0.00 1.02 0.00 0.00 30.24 26.56 3kgl n GLN 213 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 3kgl s GLN 214 N -5.06 3.26 0.55 -1.09 -2.07 -0.99 -5.00 119.66 109.25 3kgl s GLN 214 Ca 0.10 -0.86 -0.13 0.00 -1.82 0.00 0.00 55.36 52.64 3kgl s GLN 214 Cb -0.04 -2.78 -0.06 0.00 -1.09 0.00 0.00 33.01 29.04 3kgl s GLN 214 CO 0.12 0.42 0.97 -1.25 -1.32 0.00 0.00 175.29 174.23 3kgl s PRO 215 N -3.93 3.77 -0.25 9.60 0.05 -1.25 -3.75 135.00 139.24 3kgl s PRO 215 Ca 0.34 0.79 -0.03 0.00 0.05 0.00 0.00 61.00 62.14 3kgl s PRO 215 Cb -0.09 -2.15 0.01 0.00 0.05 0.00 0.00 34.50 32.33 3kgl s PRO 215 CO 0.28 -0.37 -0.03 -1.14 0.05 0.00 0.00 177.00 175.79 3kgl s GLN 216 N -4.53 3.01 0.36 4.56 0.74 0.10 -4.80 119.66 119.11 3kgl s GLN 216 Ca 0.56 -0.88 0.04 0.00 0.05 0.00 0.00 55.36 55.14 3kgl s GLN 216 Cb -0.10 -3.07 -0.01 0.00 1.10 0.00 0.00 33.01 30.92 3kgl s GLN 216 CO 0.41 -0.37 0.53 -1.59 -0.55 0.00 0.00 175.29 173.72 3kgl s LYS 217 N 1.40 3.14 0.98 1.67 0.00 -1.26 -0.50 119.74 125.16 3kgl s LYS 217 Ca 0.02 -0.79 -0.12 0.00 0.00 0.00 0.00 55.97 55.08 3kgl s LYS 217 Cb -0.16 -2.74 0.18 0.00 0.00 0.00 0.00 37.83 35.11 3kgl s LYS 217 CO -0.03 -0.01 1.08 0.54 0.00 0.00 0.00 175.35 176.94 3kgl s ASN 218 N -4.17 2.62 0.22 0.03 2.20 -1.23 -4.77 114.94 109.84 3kgl s ASN 218 Ca 0.45 1.63 -0.09 0.00 -0.94 0.00 0.00 52.86 53.91 3kgl s ASN 218 Cb -0.10 -2.28 0.19 0.00 -2.00 0.00 0.00 41.25 37.07 3kgl s ASN 218 CO 0.33 -3.19 1.89 0.40 -2.94 0.00 0.00 177.10 173.59 3kgl h ILE 219 N -1.93 1.21 -0.94 0.54 2.04 -1.24 -2.62 117.51 114.56 3kgl h ILE 219 Ca -0.52 -0.38 0.10 0.00 1.00 0.00 0.00 64.86 65.06 3kgl h ILE 219 Cb 1.30 -0.01 -0.07 0.00 -0.74 0.00 0.00 36.82 37.30 3kgl h ILE 219 CO 0.51 0.20 0.61 -0.07 0.00 0.00 0.00 178.15 179.40 3kgl h LEU 220 N 1.12 0.88 -1.89 1.44 4.07 -1.83 0.15 115.31 119.24 3kgl h LEU 220 Ca 0.31 0.03 0.03 0.00 0.08 0.00 0.00 57.88 58.32 3kgl h LEU 220 Cb -0.12 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.46 3kgl h LEU 220 CO -0.07 0.51 0.40 -1.13 -1.08 0.00 0.00 178.44 177.06 3kgl h ASN 221 N 0.96 0.00 0.90 -0.43 -0.73 -1.67 -2.66 115.58 111.95 3kgl h ASN 221 Ca 0.44 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.50 3kgl h ASN 221 Cb 0.39 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.97 3kgl h ASN 221 CO -0.20 0.00 -0.53 1.23 -0.37 0.00 0.00 177.43 177.57 3kgl h GLY 222 N 0.00 0.00 -4.18 1.57 0.00 -0.79 -3.45 103.07 96.22 3kgl h GLY 222 Ca 0.05 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.80 3kgl h GLY 222 CO -0.00 0.00 -0.32 -1.36 0.00 0.00 0.00 176.54 174.86 3kgl s PHE 223 N -3.42 3.48 0.29 5.60 0.08 -1.00 -5.05 117.98 117.95 3kgl s PHE 223 Ca 0.00 0.50 -0.29 0.00 0.12 0.00 0.00 56.93 57.27 3kgl s PHE 223 Cb 0.11 -1.97 -0.13 0.00 -0.57 0.00 0.00 43.02 40.46 3kgl s PHE 223 CO 0.73 0.42 1.24 0.25 -0.10 0.00 0.00 175.22 177.76 3kgl n THR 224 N -0.07 1.66 0.27 0.64 -2.24 -1.26 -4.81 114.28 108.47 3kgl n THR 224 Ca -0.03 -0.41 0.04 0.00 -2.27 0.00 0.00 64.05 61.38 3kgl n THR 224 Cb 0.52 -1.35 0.19 0.00 -2.10 0.00 0.00 70.33 67.60 3kgl n THR 224 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3kgl n PRO 225 N 1.06 0.01 0.04 -0.78 -0.02 -1.26 -1.67 135.00 132.38 3kgl n PRO 225 Ca 0.08 0.37 -0.19 0.00 -2.02 0.00 0.00 63.50 61.74 3kgl n PRO 225 Cb 0.33 -1.53 -0.14 0.00 -0.02 0.00 0.00 33.50 32.14 3kgl n PRO 225 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3kgl h GLU 226 N 0.00 0.28 0.00 -0.52 9.09 -1.90 0.14 114.58 121.66 3kgl h GLU 226 Ca 0.00 -0.48 -0.11 0.00 0.05 0.00 0.00 59.36 58.82 3kgl h GLU 226 Cb 0.14 0.18 -0.02 0.00 -1.65 0.00 0.00 28.75 27.40 3kgl h GLU 226 CO 0.00 1.15 -0.55 -0.24 0.05 0.00 0.00 179.01 179.43 3kgl h VAL 227 N 0.08 1.39 -0.38 -1.06 3.04 -1.82 0.12 116.25 117.61 3kgl h VAL 227 Ca -0.33 -1.87 -0.12 0.00 -1.01 0.00 0.00 66.70 63.37 3kgl h VAL 227 Cb 2.05 2.01 -0.01 0.00 -2.01 0.00 0.00 31.29 33.33 3kgl h VAL 227 CO 0.14 0.53 -0.22 0.25 -1.01 0.00 0.00 177.57 177.26 3kgl h LEU 228 N 0.00 0.85 -0.11 3.16 5.85 -1.32 0.11 115.31 123.86 3kgl h LEU 228 Ca -0.01 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 58.32 3kgl h LEU 228 Cb 0.97 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 3kgl h LEU 228 CO 0.07 1.09 -0.04 0.00 -0.34 0.00 0.00 178.44 179.22 3kgl h ALA 229 N 0.79 0.06 0.00 1.25 0.00 -0.17 -1.95 119.26 119.25 3kgl h ALA 229 Ca 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3kgl h ALA 229 Cb 0.78 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 3kgl h ALA 229 CO 0.06 -0.50 -0.08 0.87 0.00 0.00 0.00 179.25 179.61 3kgl h LYS 230 N -0.02 0.00 0.01 0.00 1.57 -0.64 -0.02 116.57 117.47 3kgl h LYS 230 Ca 0.06 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3kgl h LYS 230 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3kgl h LYS 230 CO -0.12 0.08 -0.00 0.00 -0.57 0.00 0.00 179.45 178.83 3kgl h ALA 231 N 1.92 -0.41 0.00 3.86 0.00 -0.60 -3.34 119.26 120.69 3kgl h ALA 231 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kgl h ALA 231 Cb 0.91 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3kgl h ALA 231 CO 0.01 -0.41 0.00 0.74 0.00 0.00 0.00 179.25 179.59 3kgl h PHE 232 N -0.03 0.00 -4.93 0.00 0.04 -1.43 -3.46 116.94 107.13 3kgl h PHE 232 Ca -0.00 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.53 3kgl h PHE 232 Cb 0.01 0.00 0.15 0.00 2.20 0.00 0.00 35.95 38.31 3kgl h PHE 232 CO 0.09 0.00 -0.64 1.63 -0.60 0.00 0.00 178.31 178.79 3kgl n LYS 233 N -2.33 -3.90 -4.37 1.51 5.02 -0.12 -5.06 118.16 108.91 3kgl n LYS 233 Ca 0.00 0.68 -0.20 0.00 -2.02 0.00 0.00 58.31 56.78 3kgl n LYS 233 Cb 0.14 -5.10 -0.09 0.00 -0.02 0.00 0.00 35.03 29.96 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 -3.30 0.44 0.26 -0.18 -4.36 -0.60 -5.04 121.20 108.43 3kgl s ILE 234 Ca 0.15 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.24 3kgl s ILE 234 Cb -0.02 -2.51 -0.09 0.00 1.25 0.00 0.00 42.46 41.09 3kgl s ILE 234 CO 0.59 0.00 1.27 -1.81 0.24 0.00 0.00 174.94 175.22 3kgl s ASP 235 N -3.42 6.92 0.30 4.36 1.01 -1.26 -4.59 116.67 119.98 3kgl s ASP 235 Ca 0.34 2.48 0.04 0.00 0.71 0.00 0.00 52.55 56.12 3kgl s ASP 235 Cb 0.05 -2.63 0.77 0.00 1.01 0.00 0.00 42.92 42.12 3kgl s ASP 235 CO 0.17 -0.46 1.65 0.58 0.21 0.00 0.00 175.17 177.32 3kgl h VAL 236 N 3.36 0.30 -0.37 -1.27 2.07 -1.91 0.93 116.25 119.35 3kgl h VAL 236 Ca -0.47 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.01 3kgl h VAL 236 Cb 1.22 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3kgl h VAL 236 CO 0.71 0.04 0.18 0.03 0.02 0.00 0.00 177.57 178.55 3kgl h ARG 237 N 0.22 0.36 -0.70 1.57 3.08 -1.91 -0.82 114.38 116.19 3kgl h ARG 237 Ca 0.58 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.61 3kgl h ARG 237 Cb 1.20 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.14 3kgl h ARG 237 CO -0.65 0.24 0.43 1.15 -1.07 0.00 0.00 179.97 180.06 3kgl h THR 238 N 0.37 1.19 -0.82 2.04 2.02 -1.27 -2.58 112.91 113.87 3kgl h THR 238 Ca 0.16 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 3kgl h THR 238 Cb 0.07 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.65 3kgl h THR 238 CO -0.11 0.20 0.42 0.00 0.37 0.00 0.00 175.52 176.39 3kgl h ALA 239 N 1.52 1.19 -0.05 6.16 0.00 0.29 -2.00 119.26 126.37 3kgl h ALA 239 Ca 0.25 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3kgl h ALA 239 Cb -0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3kgl h ALA 239 CO -0.05 0.63 -0.39 1.96 0.00 0.00 0.00 179.25 181.40 3kgl h GLN 240 N 1.16 0.10 0.00 0.00 4.20 -0.91 -2.33 115.11 117.32 3kgl h GLN 240 Ca 0.29 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.93 3kgl h GLN 240 Cb 0.08 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 3kgl h GLN 240 CO -0.04 0.47 -0.09 1.96 -0.67 0.00 0.00 178.83 180.46 3kgl h GLN 241 N 0.08 0.00 -0.18 1.46 4.20 -1.15 0.11 115.11 119.63 3kgl h GLN 241 Ca 0.01 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.59 3kgl h GLN 241 Cb 0.73 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 3kgl h GLN 241 CO 0.05 0.09 -0.45 -0.07 -0.67 0.00 0.00 178.83 177.79 3kgl h LEU 242 N 0.00 0.47 -0.44 1.46 3.38 -1.25 -3.13 115.31 115.79 3kgl h LEU 242 Ca -0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3kgl h LEU 242 Cb 0.33 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3kgl h LEU 242 CO 0.01 0.86 0.00 0.00 0.09 0.00 0.00 178.44 179.40 3kgl n GLN 243 N -4.00 0.14 -4.18 1.13 6.02 0.36 -4.66 117.38 112.20 3kgl n GLN 243 Ca -0.02 0.35 -0.33 0.00 -0.01 0.00 0.00 57.00 56.99 3kgl n GLN 243 Cb 0.53 -1.76 -0.06 0.00 1.02 0.00 0.00 30.24 29.97 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 -2.03 -0.47 -4.67 1.08 3.02 -1.18 -4.41 115.26 106.61 3kgl n ASN 244 Ca 0.03 -1.22 -0.43 0.00 -0.03 0.00 0.00 54.58 52.94 3kgl n ASN 244 Cb 0.23 -1.98 -0.02 0.00 -0.61 0.00 0.00 39.78 37.40 3kgl n ASN 244 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3kgl s GLN 245 N -7.17 4.24 -1.59 3.52 -0.21 -1.26 -2.98 119.66 114.21 3kgl s GLN 245 Ca 0.11 1.86 0.00 0.00 0.02 0.00 0.00 55.36 57.35 3kgl s GLN 245 Cb -0.06 -3.76 0.00 0.00 1.00 0.00 0.00 33.01 30.20 3kgl s GLN 245 CO 0.97 -0.69 0.00 1.04 -2.12 0.00 0.00 175.29 174.49 3kgl n GLN 246 N 6.32 -1.37 -2.30 2.91 3.00 -1.26 -4.98 117.38 119.69 3kgl n GLN 246 Ca 0.14 0.92 -0.42 0.00 -0.01 0.00 0.00 57.00 57.63 3kgl n GLN 246 Cb 0.44 -5.35 -0.03 0.00 0.00 0.00 0.00 30.24 25.30 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 6.94 0.00 1.08 2.15 -1.16 -4.94 116.67 118.41 3kgl s ASP 247 Ca 0.00 2.09 0.15 0.00 0.43 0.00 0.00 52.55 55.23 3kgl s ASP 247 Cb 0.00 -2.57 0.09 0.00 -0.30 0.00 0.00 42.92 40.14 3kgl s ASP 247 CO 0.00 -0.61 0.94 0.59 -0.17 0.00 0.00 175.17 175.92 3kgl n ASN 248 N 4.57 2.09 0.23 -0.34 4.13 -1.26 -4.50 115.26 120.16 3kgl n ASN 248 Ca 0.11 -1.54 0.14 0.00 1.68 0.00 0.00 54.58 54.97 3kgl n ASN 248 Cb 0.45 0.13 0.75 0.00 -1.54 0.00 0.00 39.78 39.57 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 2.66 0.00 0.00 3.52 3.08 -1.92 -3.43 114.38 118.30 3kgl h ARG 249 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kgl h ARG 249 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3kgl h ARG 249 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3kgl n GLY 250 N -1.23 -0.35 0.09 0.04 0.00 -1.19 0.39 105.19 102.92 3kgl n GLY 250 Ca -0.02 -1.06 0.11 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 -0.66 0.71 -4.23 1.61 5.15 -1.26 -3.98 115.26 112.59 3kgl n ASN 251 Ca 0.00 0.20 -0.39 0.00 -0.60 0.00 0.00 54.58 53.79 3kgl n ASN 251 Cb 0.00 0.63 -0.10 0.00 -0.53 0.00 0.00 39.78 39.78 3kgl n ASN 251 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3kgl s ILE 252 N -3.34 3.97 0.10 -1.44 1.01 -1.25 -0.56 121.20 119.69 3kgl s ILE 252 Ca -0.00 -1.53 0.04 0.00 0.00 0.00 0.00 60.65 59.17 3kgl s ILE 252 Cb 0.11 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 3kgl s ILE 252 CO 0.80 -0.52 0.03 0.27 0.00 0.00 0.00 174.94 175.52 3kgl s ILE 253 N 1.36 4.16 -0.16 2.92 -4.36 0.15 -0.06 121.20 125.21 3kgl s ILE 253 Ca 0.03 -0.96 -0.29 0.00 -0.26 0.00 0.00 60.65 59.17 3kgl s ILE 253 Cb -0.23 -3.00 -0.03 0.00 1.25 0.00 0.00 42.46 40.45 3kgl s ILE 253 CO 0.01 0.10 1.44 -0.60 0.24 0.00 0.00 174.94 176.13 3kgl s ARG 254 N -2.41 4.09 -0.41 0.37 6.06 -1.26 0.10 118.95 125.49 3kgl s ARG 254 Ca 0.27 1.75 -0.29 0.00 -2.50 0.00 0.00 55.73 54.96 3kgl s ARG 254 Cb -0.12 -3.89 0.02 0.00 0.06 0.00 0.00 34.95 31.03 3kgl s ARG 254 CO 0.20 -0.92 1.11 0.08 -2.50 0.00 0.00 175.30 173.27 3kgl s VAL 255 N 4.10 4.33 -0.65 7.11 1.01 -0.64 -4.96 120.40 130.70 3kgl s VAL 255 Ca 0.63 1.43 -0.17 0.00 0.00 0.00 0.00 61.98 63.88 3kgl s VAL 255 Cb -0.25 -4.53 0.14 0.00 0.00 0.00 0.00 36.38 31.75 3kgl s VAL 255 CO 0.23 -0.79 0.67 -1.10 0.00 0.00 0.00 175.10 174.11 3kgl s GLN 256 N 4.12 3.20 0.00 2.72 -0.21 -1.26 -4.90 119.66 123.33 3kgl s GLN 256 Ca 0.47 -1.77 0.00 0.00 0.02 0.00 0.00 55.36 54.08 3kgl s GLN 256 Cb -0.09 -4.36 0.00 0.00 1.00 0.00 0.00 33.01 29.55 3kgl s GLN 256 CO 0.25 -1.42 0.00 0.41 -2.12 0.00 0.00 175.29 172.41 3kgl n GLY 257 N 4.98 0.06 3.86 3.09 0.00 -1.26 -5.12 105.19 110.81 3kgl n GLY 257 Ca -0.03 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.15 3kgl n GLY 257 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kgl s PRO 258 N -2.00 3.88 -0.84 1.61 0.04 -1.26 -5.03 135.00 131.40 3kgl s PRO 258 Ca 0.00 0.41 0.01 0.00 0.04 0.00 0.00 61.00 61.46 3kgl s PRO 258 Cb 0.00 -2.62 0.32 0.00 0.04 0.00 0.00 34.50 32.24 3kgl s PRO 258 CO 0.00 0.29 1.36 0.34 0.04 0.00 0.00 177.00 179.03 3kgl n PHE 259 N -0.10 3.26 -2.07 0.56 7.35 -1.26 -4.96 117.46 120.23 3kgl n PHE 259 Ca 0.01 -3.24 -0.33 0.00 -0.76 0.00 0.00 57.45 53.12 3kgl n PHE 259 Cb 0.52 -0.89 -0.05 0.00 0.35 0.00 0.00 39.48 39.42 3kgl n PHE 259 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 3kgl n SER 260 N 0.14 3.45 -0.08 -2.13 7.64 -1.26 -4.69 113.62 116.69 3kgl n SER 260 Ca 0.37 -2.75 -0.12 0.00 1.01 0.00 0.00 58.87 57.38 3kgl n SER 260 Cb 0.33 -1.68 -0.04 0.00 -1.01 0.00 0.00 64.21 61.82 3kgl n SER 260 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3kgl n VAL 261 N 7.23 1.43 -1.50 0.44 0.31 -1.26 -4.76 118.33 120.22 3kgl n VAL 261 Ca 0.47 0.07 -0.35 0.00 -0.01 0.00 0.00 64.34 64.51 3kgl n VAL 261 Cb 0.46 -2.15 -0.07 0.00 -0.91 0.00 0.00 33.84 31.16 3kgl n VAL 261 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3kgl n ILE 262 N -4.27 1.53 0.00 2.52 5.41 -1.26 -4.72 119.36 118.57 3kgl n ILE 262 Ca -0.20 -1.48 0.00 0.00 1.00 0.00 0.00 62.75 62.08 3kgl n ILE 262 Cb 0.53 -2.20 0.00 0.00 -0.71 0.00 0.00 39.64 37.26 3kgl n ILE 262 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3kgl n ARG 263 N 7.73 0.00 0.00 0.38 5.12 -1.26 -5.15 116.66 123.48 3kgl n ARG 263 Ca 0.47 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.39 3kgl n ARG 263 Cb 0.44 -0.07 0.00 0.00 -1.16 0.00 0.00 32.46 31.67 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 -0.59 2.70 0.00 5.56 -0.02 -1.26 -5.16 135.00 136.23 3kgl n PRO 264 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3kgl n PRO 264 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 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 0.00 0.00 -2.77 -0.52 0.28 -1.26 -4.35 120.64 112.02 3kgl n GLU 280 Ca 0.00 0.31 -0.42 0.00 -0.16 0.00 0.00 57.16 56.90 3kgl n GLU 280 Cb 0.00 -0.59 0.02 0.00 1.43 0.00 0.00 31.44 32.30 3kgl n GLU 280 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 3kgl n THR 281 N -1.03 5.85 -3.36 3.84 5.66 -1.26 -4.85 114.28 119.13 3kgl n THR 281 Ca 0.00 -5.97 -0.20 0.00 -3.05 0.00 0.00 64.05 54.83 3kgl n THR 281 Cb 0.00 -1.74 -0.08 0.00 -1.55 0.00 0.00 70.33 66.96 3kgl n THR 281 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3kgl s ILE 282 N -3.79 -0.21 -1.11 1.09 1.01 -1.26 -4.93 121.20 111.99 3kgl s ILE 282 Ca 0.36 -1.25 0.11 0.00 0.00 0.00 0.00 60.65 59.87 3kgl s ILE 282 Cb 0.14 -0.77 0.47 0.00 0.01 0.00 0.00 42.46 42.31 3kgl s ILE 282 CO -0.04 -0.69 1.31 0.00 0.00 0.00 0.00 174.94 175.51 3kgl n SER 284 N 0.58 0.26 -4.87 0.00 3.41 -1.26 -5.06 113.62 106.68 3kgl n SER 284 Ca 0.17 -1.90 -0.31 0.00 -0.26 0.00 0.00 58.87 56.57 3kgl n SER 284 Cb 0.66 -0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 64.42 3kgl n SER 284 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kgl s ALA 285 N 0.00 3.21 0.13 7.33 0.00 -1.25 -5.05 121.76 126.13 3kgl s ALA 285 Ca 0.11 -0.09 -0.29 0.00 0.00 0.00 0.00 51.96 51.69 3kgl s ALA 285 Cb 0.13 -2.91 -0.06 0.00 0.00 0.00 0.00 23.12 20.27 3kgl s ALA 285 CO -0.06 -0.28 0.93 0.50 0.00 0.00 0.00 175.76 176.86 3kgl s ARG 286 N -4.32 4.70 -0.21 0.00 3.52 -1.26 -4.96 118.95 116.42 3kgl s ARG 286 Ca 0.54 1.41 0.13 0.00 -0.13 0.00 0.00 55.73 57.68 3kgl s ARG 286 Cb -0.10 -3.35 0.43 0.00 -1.56 0.00 0.00 34.95 30.36 3kgl s ARG 286 CO 0.38 0.29 1.30 0.00 -0.81 0.00 0.00 175.30 176.46 3kgl s THR 288 N -3.09 0.11 -0.29 0.00 2.01 -1.26 -1.94 115.64 111.17 3kgl s THR 288 Ca 0.39 -0.91 -0.23 0.00 0.31 0.00 0.00 61.69 61.25 3kgl s THR 288 Cb 0.35 -1.14 0.18 0.00 0.01 0.00 0.00 72.50 71.90 3kgl s THR 288 CO -0.00 -0.50 1.29 -0.62 -0.69 0.00 0.00 174.62 174.10 3kgl s ASP 289 N -2.52 -0.17 -0.32 3.53 2.15 -1.17 -4.97 116.67 113.19 3kgl s ASP 289 Ca 0.00 0.32 -0.15 0.00 0.43 0.00 0.00 52.55 53.16 3kgl s ASP 289 Cb 0.02 0.49 -0.02 0.00 -0.30 0.00 0.00 42.92 43.11 3kgl s ASP 289 CO -0.08 -0.05 0.35 0.21 -0.17 0.00 0.00 175.17 175.43 3kgl s ASN 290 N 0.32 6.18 0.03 -0.34 3.84 -1.26 -1.04 114.94 122.67 3kgl s ASN 290 Ca 0.03 -0.12 0.26 0.00 0.21 0.00 0.00 52.86 53.25 3kgl s ASN 290 Cb -0.04 -2.19 0.74 0.00 -0.55 0.00 0.00 41.25 39.21 3kgl s ASN 290 CO -0.13 -0.29 1.59 0.18 -2.79 0.00 0.00 177.10 175.67 3kgl n LEU 291 N 5.35 0.38 0.05 3.21 4.77 -0.25 -4.03 117.00 126.47 3kgl n LEU 291 Ca -0.09 0.23 0.11 0.00 -0.03 0.00 0.00 56.01 56.23 3kgl n LEU 291 Cb 0.50 -0.33 0.46 0.00 -2.33 0.00 0.00 43.42 41.72 3kgl n LEU 291 CO 0.39 0.04 0.86 0.47 -1.33 0.00 0.00 177.39 177.82 3kgl n ASP 292 N -1.62 0.29 -4.63 -1.43 8.00 -1.26 -4.67 116.55 111.24 3kgl n ASP 292 Ca 0.06 0.55 -0.43 0.00 0.71 0.00 0.00 54.79 55.68 3kgl n ASP 292 Cb 0.35 -0.62 -0.02 0.00 -0.02 0.00 0.00 41.12 40.81 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 -3.55 6.59 0.00 -2.24 2.15 -1.26 -4.90 116.67 113.46 3kgl s ASP 293 Ca 0.09 1.30 0.00 0.00 0.43 0.00 0.00 52.55 54.37 3kgl s ASP 293 Cb 0.13 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 3kgl s ASP 293 CO 0.44 -1.14 0.79 -2.65 -0.17 0.00 0.00 175.17 172.44 3kgl n PRO 294 N 7.42 0.86 -0.00 4.34 -0.02 -1.26 -2.24 135.00 144.11 3kgl n PRO 294 Ca 0.16 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.69 3kgl n PRO 294 Cb 0.46 -1.07 -0.07 0.00 -0.02 0.00 0.00 33.50 32.80 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 -0.41 0.66 -0.51 2.55 7.64 -1.26 -4.19 113.62 118.10 3kgl n SER 295 Ca 0.00 -0.74 0.08 0.00 1.01 0.00 0.00 58.87 59.23 3kgl n SER 295 Cb 0.04 1.03 0.03 0.00 -1.01 0.00 0.00 64.21 64.30 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 -1.32 1.99 -4.46 6.43 4.13 -0.95 -5.02 115.26 116.07 3kgl n ASN 296 Ca 0.02 -1.50 -0.30 0.00 1.68 0.00 0.00 54.58 54.48 3kgl n ASN 296 Cb 0.19 0.25 0.20 0.00 -1.54 0.00 0.00 39.78 38.88 3kgl n ASN 296 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kgl n ALA 297 N 0.38 -2.70 0.01 5.41 0.00 -1.14 -4.73 120.51 117.75 3kgl n ALA 297 Ca 0.08 -0.99 -0.14 0.00 0.00 0.00 0.00 53.44 52.40 3kgl n ALA 297 Cb 0.38 -1.90 -0.14 0.00 0.00 0.00 0.00 19.45 17.78 3kgl n ALA 297 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3kgl h ASP 298 N -2.22 0.19 -3.87 0.00 5.19 -0.57 -3.46 116.42 111.68 3kgl h ASP 298 Ca -0.53 -0.37 -0.37 0.00 -0.62 0.00 0.00 57.03 55.14 3kgl h ASP 298 Cb 1.32 -0.06 -0.30 0.00 0.18 0.00 0.00 39.33 40.47 3kgl h ASP 298 CO 0.43 1.32 -0.77 0.54 -3.12 0.00 0.00 179.24 177.64 3kgl s VAL 299 N -2.60 0.57 -0.42 -1.35 0.11 -1.17 -5.01 120.40 110.54 3kgl s VAL 299 Ca -0.10 -0.27 0.04 0.00 -2.93 0.00 0.00 61.98 58.72 3kgl s VAL 299 Cb 0.07 -0.50 0.18 0.00 -1.53 0.00 0.00 36.38 34.60 3kgl s VAL 299 CO 0.82 0.18 0.38 0.00 -3.33 0.00 0.00 175.10 173.14 3kgl n TYR 300 N 3.13 -1.11 -2.82 1.54 9.36 -1.26 -2.00 117.16 124.00 3kgl n TYR 300 Ca -0.16 -3.19 -0.43 0.00 3.32 0.00 0.00 57.90 57.45 3kgl n TYR 300 Cb 0.56 0.31 -0.04 0.00 -0.63 0.00 0.00 39.34 39.55 3kgl n TYR 300 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 3kgl s LYS 301 N 0.04 3.19 0.49 2.98 1.02 -1.16 -4.92 119.74 121.37 3kgl s LYS 301 Ca 0.33 -0.58 0.21 0.00 0.02 0.00 0.00 55.97 55.95 3kgl s LYS 301 Cb 0.05 -4.16 1.25 0.00 -0.52 0.00 0.00 37.83 34.44 3kgl s LYS 301 CO -0.18 -1.74 1.99 -1.35 -0.92 0.00 0.00 175.35 173.15 3kgl h PRO 302 N 9.53 0.16 -0.51 -1.68 0.11 -1.97 0.60 132.00 138.24 3kgl h PRO 302 Ca -0.28 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.91 3kgl h PRO 302 Cb 1.07 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.07 3kgl h PRO 302 CO 1.16 0.10 0.10 1.96 -0.21 0.00 0.00 178.00 181.12 3kgl h GLN 303 N 0.16 0.23 0.00 1.05 7.50 -2.04 -3.36 115.11 118.66 3kgl h GLN 303 Ca 0.27 -0.01 -0.45 0.00 0.50 0.00 0.00 58.65 58.96 3kgl h GLN 303 Cb 0.83 -0.05 -0.07 0.00 0.05 0.00 0.00 27.48 28.24 3kgl h GLN 303 CO -0.04 0.16 -2.47 1.28 -1.50 0.00 0.00 178.83 176.26 3kgl n LEU 304 N -5.11 2.08 0.00 1.46 7.99 0.21 -4.89 117.00 118.73 3kgl n LEU 304 Ca 0.06 0.29 0.00 0.00 -0.01 0.00 0.00 56.01 56.35 3kgl n LEU 304 Cb 0.25 -0.84 0.00 0.00 -0.11 0.00 0.00 43.42 42.72 3kgl n LEU 304 CO 0.20 0.61 0.00 0.61 -1.51 0.00 0.00 177.39 177.30 3kgl n GLY 305 N 1.38 0.78 3.55 -0.72 0.00 0.19 -1.85 105.19 108.53 3kgl n GLY 305 Ca -0.52 -1.84 -0.28 0.00 0.00 0.00 0.00 46.02 43.37 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 -1.19 2.65 -0.27 1.61 -0.85 -0.05 -3.00 117.35 116.25 3kgl s TYR 306 Ca 0.00 -0.21 0.03 0.00 -0.52 0.00 0.00 57.07 56.37 3kgl s TYR 306 Cb 0.00 -1.35 0.06 0.00 0.38 0.00 0.00 41.96 41.05 3kgl s TYR 306 CO 0.00 0.45 -0.09 0.42 -1.52 0.00 0.00 175.55 174.81 3kgl s ILE 307 N -1.40 2.26 -0.08 -3.49 -1.09 -0.85 -1.32 121.20 115.23 3kgl s ILE 307 Ca 0.22 -1.63 -0.02 0.00 -2.23 0.00 0.00 60.65 56.99 3kgl s ILE 307 Cb -0.10 -2.34 -0.03 0.00 -1.58 0.00 0.00 42.46 38.41 3kgl s ILE 307 CO 0.14 -0.05 0.03 -0.55 -1.23 0.00 0.00 174.94 173.27 3kgl s SER 308 N 1.11 5.44 -0.00 3.58 0.15 -0.21 0.24 113.70 124.01 3kgl s SER 308 Ca -0.08 0.19 0.04 0.00 0.70 0.00 0.00 55.95 56.79 3kgl s SER 308 Cb -0.20 -1.57 -0.01 0.00 -1.71 0.00 0.00 66.02 62.53 3kgl s SER 308 CO -0.05 0.37 -0.13 -0.89 1.20 0.00 0.00 173.24 173.75 3kgl s THR 309 N -0.94 1.00 -0.59 6.45 2.01 -1.26 0.92 115.64 123.23 3kgl s THR 309 Ca 0.15 -0.61 -0.04 0.00 0.31 0.00 0.00 61.69 61.49 3kgl s THR 309 Cb -0.11 -0.85 0.15 0.00 0.01 0.00 0.00 72.50 71.70 3kgl s THR 309 CO 0.04 0.23 0.41 -0.22 -0.69 0.00 0.00 174.62 174.39 3kgl s LEU 310 N -0.44 5.40 0.00 4.42 0.20 -0.72 -4.98 118.68 122.57 3kgl s LEU 310 Ca 0.04 -2.60 0.00 0.00 0.69 0.00 0.00 54.13 52.26 3kgl s LEU 310 Cb -0.05 -1.89 0.00 0.00 -0.43 0.00 0.00 46.19 43.82 3kgl s LEU 310 CO -0.00 -0.45 0.00 0.59 -0.29 0.00 0.00 176.35 176.20 3kgl n ASN 311 N 3.86 0.00 0.05 3.68 5.03 -1.26 -3.40 115.26 123.22 3kgl n ASN 311 Ca 0.05 -0.96 0.12 0.00 0.87 0.00 0.00 54.58 54.66 3kgl n ASN 311 Cb 0.39 0.00 0.22 0.00 -1.02 0.00 0.00 39.78 39.37 3kgl n ASN 311 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3kgl n SER 312 N -2.87 0.65 -0.04 6.41 3.41 -0.40 -2.41 113.62 118.37 3kgl n SER 312 Ca 0.00 0.12 -0.13 0.00 -0.26 0.00 0.00 58.87 58.59 3kgl n SER 312 Cb 0.00 0.07 -0.08 0.00 -0.26 0.00 0.00 64.21 63.94 3kgl n SER 312 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3kgl h TYR 313 N 0.00 0.28 0.28 7.33 0.05 -1.93 -2.95 116.97 120.02 3kgl h TYR 313 Ca 0.00 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.67 3kgl h TYR 313 Cb 0.70 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.38 3kgl h TYR 313 CO 0.00 0.70 -0.13 -0.44 -1.05 0.00 0.00 178.16 177.24 3kgl h ASP 314 N -0.22 -0.31 -3.61 3.88 3.32 -1.92 -3.38 116.42 114.17 3kgl h ASP 314 Ca 0.01 -0.07 -0.64 0.00 0.02 0.00 0.00 57.03 56.36 3kgl h ASP 314 Cb 0.67 0.08 -0.40 0.00 0.22 0.00 0.00 39.33 39.90 3kgl h ASP 314 CO 0.03 -0.13 -0.72 -0.76 -1.72 0.00 0.00 179.24 175.94 3kgl s LEU 315 N -9.93 3.95 0.52 1.55 1.43 -1.01 -4.98 118.68 110.20 3kgl s LEU 315 Ca -0.15 -2.15 0.34 0.00 -1.03 0.00 0.00 54.13 51.15 3kgl s LEU 315 Cb 0.04 -1.40 1.49 0.00 0.03 0.00 0.00 46.19 46.35 3kgl s LEU 315 CO 0.62 -0.37 1.78 -0.65 0.23 0.00 0.00 176.35 177.96 3kgl h PRO 316 N 7.56 0.07 -0.68 1.29 0.11 -1.72 -1.35 132.00 137.28 3kgl h PRO 316 Ca -0.07 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 3kgl h PRO 316 Cb 1.00 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 3kgl h PRO 316 CO 0.52 0.04 0.25 0.97 -0.21 0.00 0.00 178.00 179.58 3kgl h ILE 317 N 0.07 1.25 -0.98 4.15 6.09 -1.84 -2.02 117.51 124.22 3kgl h ILE 317 Ca 0.61 -0.79 0.28 0.00 -1.37 0.00 0.00 64.86 63.59 3kgl h ILE 317 Cb 2.25 0.49 -0.04 0.00 0.47 0.00 0.00 36.82 40.00 3kgl h ILE 317 CO -0.07 0.31 0.92 -0.07 -3.07 0.00 0.00 178.15 176.16 3kgl h LEU 318 N 0.97 0.00 -1.73 2.19 3.38 -1.56 0.10 115.31 118.66 3kgl h LEU 318 Ca 0.22 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.38 3kgl h LEU 318 Cb 0.23 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3kgl h LEU 318 CO -0.02 0.00 0.54 -0.09 0.09 0.00 0.00 178.44 178.96 3kgl h ARG 319 N 0.00 0.23 0.00 1.13 2.43 -1.51 -0.43 114.38 116.23 3kgl h ARG 319 Ca 0.46 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.62 3kgl h ARG 319 Cb 2.29 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 31.79 3kgl h ARG 319 CO -0.00 0.15 -0.07 0.74 -1.51 0.00 0.00 179.97 179.28 3kgl h PHE 320 N 0.24 0.00 -0.60 2.20 0.04 -0.99 -3.34 116.94 114.49 3kgl h PHE 320 Ca 0.39 0.00 0.17 0.00 2.80 0.00 0.00 57.97 61.33 3kgl h PHE 320 Cb 1.17 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.30 3kgl h PHE 320 CO -0.00 0.03 0.77 -0.07 -0.60 0.00 0.00 178.31 178.43 3kgl h LEU 321 N -1.00 0.00 -1.69 1.54 4.07 -1.52 -3.45 115.31 113.25 3kgl h LEU 321 Ca -0.00 0.00 -0.44 0.00 0.08 0.00 0.00 57.88 57.52 3kgl h LEU 321 Cb 0.09 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.86 3kgl h LEU 321 CO -0.00 0.00 -0.83 0.54 -1.08 0.00 0.00 178.44 177.07 3kgl n ARG 322 N -3.39 -4.73 -4.10 1.13 1.74 -0.20 -4.93 116.66 102.17 3kgl n ARG 322 Ca 0.12 0.58 -0.15 0.00 -0.77 0.00 0.00 57.85 57.64 3kgl n ARG 322 Cb 0.97 -5.12 -0.14 0.00 -1.02 0.00 0.00 32.46 27.16 3kgl n ARG 322 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kgl s LEU 323 N -6.80 2.03 0.23 0.55 1.43 -1.25 -2.54 118.68 112.34 3kgl s LEU 323 Ca 0.09 -0.13 0.05 0.00 -1.03 0.00 0.00 54.13 53.12 3kgl s LEU 323 Cb -0.05 -0.21 -0.05 0.00 0.03 0.00 0.00 46.19 45.91 3kgl s LEU 323 CO 0.83 0.02 -0.05 -0.55 0.23 0.00 0.00 176.35 176.83 3kgl s SER 324 N -0.26 2.24 0.18 2.29 0.15 -0.27 -4.08 113.70 113.95 3kgl s SER 324 Ca 0.00 -1.16 0.01 0.00 0.70 0.00 0.00 55.95 55.50 3kgl s SER 324 Cb -0.03 -0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 64.17 3kgl s SER 324 CO -0.00 -0.39 0.05 0.00 1.20 0.00 0.00 173.24 174.10 3kgl s ALA 325 N -3.21 1.27 -0.10 5.45 0.00 -1.22 -1.50 121.76 122.45 3kgl s ALA 325 Ca 0.27 -1.63 -0.08 0.00 0.00 0.00 0.00 51.96 50.52 3kgl s ALA 325 Cb 0.04 0.82 0.03 0.00 0.00 0.00 0.00 23.12 24.01 3kgl s ALA 325 CO 0.09 -0.42 0.26 -1.17 0.00 0.00 0.00 175.76 174.51 3kgl s LEU 326 N -3.17 0.88 -0.06 0.00 0.20 0.10 -1.75 118.68 114.89 3kgl s LEU 326 Ca 0.28 0.53 0.06 0.00 0.69 0.00 0.00 54.13 55.69 3kgl s LEU 326 Cb 0.07 0.87 -0.01 0.00 -0.43 0.00 0.00 46.19 46.69 3kgl s LEU 326 CO 0.06 -0.10 -0.24 -0.60 -0.29 0.00 0.00 176.35 175.17 3kgl s ARG 327 N 0.35 2.61 -0.06 1.98 6.06 0.26 0.67 118.95 130.82 3kgl s ARG 327 Ca -0.02 -0.90 0.02 0.00 -2.50 0.00 0.00 55.73 52.34 3kgl s ARG 327 Cb -0.03 -2.19 0.01 0.00 0.06 0.00 0.00 34.95 32.80 3kgl s ARG 327 CO -0.01 0.37 -0.11 0.20 -2.50 0.00 0.00 175.30 173.24 3kgl s GLY 328 N -0.13 0.74 -0.22 8.12 0.00 -0.40 -1.05 107.32 114.39 3kgl s GLY 328 Ca -0.05 -0.38 -0.02 0.00 0.00 0.00 0.00 44.72 44.27 3kgl s GLY 328 CO 0.04 0.12 0.05 -0.45 0.00 0.00 0.00 173.10 172.86 3kgl s SER 329 N 0.64 3.19 0.22 1.64 0.15 -0.43 -0.95 113.70 118.15 3kgl s SER 329 Ca -0.13 -1.01 0.04 0.00 0.70 0.00 0.00 55.95 55.55 3kgl s SER 329 Cb -0.15 -0.66 -0.05 0.00 -1.71 0.00 0.00 66.02 63.45 3kgl s SER 329 CO 0.03 -0.33 -0.01 0.27 1.20 0.00 0.00 173.24 174.40 3kgl s ILE 330 N 1.81 1.04 0.40 6.45 -4.36 -0.60 -0.87 121.20 125.06 3kgl s ILE 330 Ca 0.01 -2.03 0.08 0.00 -0.26 0.00 0.00 60.65 58.44 3kgl s ILE 330 Cb -0.17 -2.31 -0.05 0.00 1.25 0.00 0.00 42.46 41.18 3kgl s ILE 330 CO -0.12 -0.35 0.15 0.00 0.24 0.00 0.00 174.94 174.85 3kgl s ARG 331 N -3.86 2.20 0.27 0.37 1.70 -0.77 -0.64 118.95 118.22 3kgl s ARG 331 Ca 0.28 -1.82 -0.20 0.00 -0.47 0.00 0.00 55.73 53.51 3kgl s ARG 331 Cb 0.05 -1.97 -0.13 0.00 -0.57 0.00 0.00 34.95 32.33 3kgl s ARG 331 CO 0.08 -0.06 0.22 0.94 -1.08 0.00 0.00 175.30 175.39 3kgl n GLN 332 N -1.18 0.00 -0.02 3.89 7.27 0.10 -0.78 117.38 126.66 3kgl n GLN 332 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.05 3kgl n GLN 332 Cb 0.64 -0.83 0.00 0.00 2.41 0.00 0.00 30.24 32.46 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 1.83 0.00 -4.64 1.69 3.02 -0.91 -4.91 115.26 111.33 3kgl n ASN 333 Ca 0.12 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.24 3kgl n ASN 333 Cb 0.28 -1.21 -0.03 0.00 -0.61 0.00 0.00 39.78 38.21 3kgl n ASN 333 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kgl s ALA 334 N -0.79 3.36 -0.07 5.41 0.00 0.04 -1.50 121.76 128.21 3kgl s ALA 334 Ca 0.00 1.03 -0.03 0.00 0.00 0.00 0.00 51.96 52.96 3kgl s ALA 334 Cb 0.00 -3.88 -0.04 0.00 0.00 0.00 0.00 23.12 19.20 3kgl s ALA 334 CO 0.00 -1.86 0.05 0.00 0.00 0.00 0.00 175.76 173.96 3kgl s MET 335 N 4.82 3.11 -0.22 0.00 0.00 0.68 -2.52 119.30 125.17 3kgl s MET 335 Ca 0.86 -0.36 -0.22 0.00 0.00 0.00 0.00 55.69 55.97 3kgl s MET 335 Cb -0.37 -2.90 -0.02 0.00 0.00 0.00 0.00 34.83 31.54 3kgl s MET 335 CO 0.37 0.71 0.70 0.08 0.00 0.00 0.00 175.02 176.87 3kgl s VAL 336 N -1.00 4.95 0.53 5.16 1.01 0.35 -1.81 120.40 129.61 3kgl s VAL 336 Ca 0.16 1.32 -0.22 0.00 0.00 0.00 0.00 61.98 63.24 3kgl s VAL 336 Cb -0.12 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 3kgl s VAL 336 CO 0.06 0.04 1.37 0.18 0.00 0.00 0.00 175.10 176.74 3kgl n LEU 337 N 5.43 5.46 -4.67 3.92 4.77 0.32 -3.11 117.00 129.11 3kgl n LEU 337 Ca 0.01 1.00 -0.56 0.00 -0.03 0.00 0.00 56.01 56.43 3kgl n LEU 337 Cb 0.49 -1.58 -0.07 0.00 -2.33 0.00 0.00 43.42 39.93 3kgl n LEU 337 CO 0.45 -0.53 1.40 -2.65 -1.33 0.00 0.00 177.39 174.73 3kgl n PRO 338 N -0.90 1.20 -4.12 3.23 -0.02 -1.26 -4.82 135.00 128.32 3kgl n PRO 338 Ca 0.10 0.43 -0.12 0.00 -2.02 0.00 0.00 63.50 61.88 3kgl n PRO 338 Cb 0.44 -2.17 -0.11 0.00 -0.02 0.00 0.00 33.50 31.64 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 3.95 0.69 0.05 -0.52 -2.07 0.11 -0.15 119.66 121.72 3kgl s GLN 339 Ca 1.00 -1.03 0.04 0.00 -1.82 0.00 0.00 55.36 53.55 3kgl s GLN 339 Cb -1.03 -0.30 -0.02 0.00 -1.09 0.00 0.00 33.01 30.56 3kgl s GLN 339 CO 0.63 0.03 -0.12 1.67 -1.32 0.00 0.00 175.29 176.18 3kgl s TRP 340 N -2.34 1.08 -0.11 9.60 -2.14 0.46 -0.37 118.94 125.11 3kgl s TRP 340 Ca 0.00 -0.41 -0.23 0.00 2.66 0.00 0.00 56.10 58.13 3kgl s TRP 340 Cb -0.03 -0.63 -0.03 0.00 -3.10 0.00 0.00 33.47 29.68 3kgl s TRP 340 CO -0.02 0.02 0.68 -0.80 -2.66 0.00 0.00 176.95 174.17 3kgl s ASN 341 N -1.39 6.90 0.38 -2.66 0.01 -1.26 -0.04 114.94 116.87 3kgl s ASN 341 Ca -0.02 1.08 0.18 0.00 -0.71 0.00 0.00 52.86 53.39 3kgl s ASN 341 Cb -0.09 -2.39 0.71 0.00 0.41 0.00 0.00 41.25 39.90 3kgl s ASN 341 CO 0.01 -0.16 1.76 0.00 -1.51 0.00 0.00 177.10 177.20 3kgl h ALA 342 N 6.95 1.05 0.00 0.60 0.00 -1.70 -2.75 119.26 123.41 3kgl h ALA 342 Ca -0.38 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.02 3kgl h ALA 342 Cb 1.18 -0.06 -0.35 0.00 0.00 0.00 0.00 17.79 18.55 3kgl h ALA 342 CO 0.77 0.47 -0.98 0.27 0.00 0.00 0.00 179.25 179.78 3kgl n ASN 343 N -3.62 0.86 -3.55 0.00 0.23 -1.26 -4.75 115.26 103.17 3kgl n ASN 343 Ca -0.01 -2.00 -0.17 0.00 -0.53 0.00 0.00 54.58 51.88 3kgl n ASN 343 Cb 0.49 -0.27 -0.06 0.00 -2.08 0.00 0.00 39.78 37.85 3kgl n ASN 343 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kgl s ALA 344 N 0.00 -1.77 0.41 -2.53 0.00 -1.26 -4.63 121.76 111.97 3kgl s ALA 344 Ca 0.30 1.53 -0.22 0.00 0.00 0.00 0.00 51.96 53.57 3kgl s ALA 344 Cb 0.35 -0.35 -0.11 0.00 0.00 0.00 0.00 23.12 23.02 3kgl s ALA 344 CO -0.15 -0.36 0.95 -0.80 0.00 0.00 0.00 175.76 175.39 3kgl s ASN 345 N -0.73 7.03 0.08 0.00 0.01 -1.26 -3.01 114.94 117.05 3kgl s ASN 345 Ca -0.08 1.72 0.09 0.00 -0.71 0.00 0.00 52.86 53.88 3kgl s ASN 345 Cb -0.01 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 39.07 3kgl s ASN 345 CO 0.07 -0.29 -0.24 0.00 -1.51 0.00 0.00 177.10 175.13 3kgl s ALA 346 N -2.05 2.07 -0.13 0.60 0.00 -0.06 -0.76 121.76 121.42 3kgl s ALA 346 Ca 0.59 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 51.29 3kgl s ALA 346 Cb -0.11 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.66 3kgl s ALA 346 CO 0.15 0.46 -0.13 0.54 0.00 0.00 0.00 175.76 176.78 3kgl s VAL 347 N -0.96 1.46 -0.26 0.00 0.11 0.11 -0.75 120.40 120.11 3kgl s VAL 347 Ca 0.10 -0.58 -0.09 0.00 -2.93 0.00 0.00 61.98 58.48 3kgl s VAL 347 Cb -0.10 -1.37 -0.04 0.00 -1.53 0.00 0.00 36.38 33.34 3kgl s VAL 347 CO 0.04 0.44 0.13 -0.22 -3.33 0.00 0.00 175.10 172.16 3kgl s LEU 348 N 1.35 3.78 -0.21 2.54 0.20 0.44 -0.70 118.68 126.08 3kgl s LEU 348 Ca 0.01 -0.08 -0.03 0.00 0.69 0.00 0.00 54.13 54.72 3kgl s LEU 348 Cb -0.13 -2.03 -0.00 0.00 -0.43 0.00 0.00 46.19 43.59 3kgl s LEU 348 CO -0.07 -0.03 -0.08 -0.47 -0.29 0.00 0.00 176.35 175.41 3kgl s TYR 349 N 1.60 2.91 -0.45 5.38 5.04 -0.21 0.01 117.35 131.63 3kgl s TYR 349 Ca 0.07 -1.08 -0.29 0.00 -2.44 0.00 0.00 57.07 53.33 3kgl s TYR 349 Cb -0.15 -2.05 0.03 0.00 0.35 0.00 0.00 41.96 40.14 3kgl s TYR 349 CO 0.07 -0.58 1.15 0.08 -1.34 0.00 0.00 175.55 174.93 3kgl s VAL 350 N 1.36 4.22 0.07 3.14 1.01 -0.64 -1.18 120.40 128.38 3kgl s VAL 350 Ca 0.05 1.28 -0.05 0.00 0.00 0.00 0.00 61.98 63.25 3kgl s VAL 350 Cb -0.14 -4.54 -0.29 0.00 0.00 0.00 0.00 36.38 31.41 3kgl s VAL 350 CO -0.05 -0.91 1.12 0.71 0.00 0.00 0.00 175.10 175.97 3kgl h THR 351 N 6.17 1.47 -3.02 3.92 1.35 -1.53 -0.17 112.91 121.10 3kgl h THR 351 Ca -0.23 -3.03 -0.15 0.00 -0.55 0.00 0.00 66.41 62.45 3kgl h THR 351 Cb 1.06 2.95 -0.25 0.00 -1.73 0.00 0.00 68.15 70.19 3kgl h THR 351 CO 1.11 0.89 -0.36 -1.81 -0.25 0.00 0.00 175.52 175.09 3kgl s ASP 352 N -7.18 -0.30 0.29 5.36 1.01 -0.58 -4.71 116.67 110.56 3kgl s ASP 352 Ca -0.05 0.55 0.00 0.00 0.71 0.00 0.00 52.55 53.76 3kgl s ASP 352 Cb 0.07 0.58 0.00 0.00 1.01 0.00 0.00 42.92 44.58 3kgl s ASP 352 CO 0.89 -0.13 0.00 0.61 0.21 0.00 0.00 175.17 176.74 3kgl n GLY 353 N 2.77 -2.39 3.77 0.21 0.00 -1.25 -1.41 105.19 106.88 3kgl n GLY 353 Ca -0.14 -1.26 -0.22 0.00 0.00 0.00 0.00 46.02 44.40 3kgl n GLY 353 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kgl s GLU 354 N -2.79 2.74 0.17 1.61 1.03 -1.26 -3.24 118.70 116.96 3kgl s GLU 354 Ca 0.00 -1.16 -0.23 0.00 0.03 0.00 0.00 54.97 53.61 3kgl s GLU 354 Cb 0.00 -2.44 0.06 0.00 -0.80 0.00 0.00 34.13 30.95 3kgl s GLU 354 CO 0.00 0.39 0.61 0.00 -1.33 0.00 0.00 175.26 174.92 3kgl s ALA 355 N -2.19 -1.55 -0.17 -0.84 0.00 -1.17 -2.25 121.76 113.60 3kgl s ALA 355 Ca 0.33 0.40 -0.00 0.00 0.00 0.00 0.00 51.96 52.69 3kgl s ALA 355 Cb -0.07 0.88 0.00 0.00 0.00 0.00 0.00 23.12 23.93 3kgl s ALA 355 CO 0.23 -0.79 -0.15 -1.58 0.00 0.00 0.00 175.76 173.48 3kgl s HIS 356 N -3.77 2.80 0.21 0.00 2.46 -0.31 -1.03 115.29 115.66 3kgl s HIS 356 Ca 0.02 -1.11 0.08 0.00 0.47 0.00 0.00 55.06 54.52 3kgl s HIS 356 Cb -0.01 -1.92 -0.05 0.00 -0.13 0.00 0.00 32.58 30.47 3kgl s HIS 356 CO -0.11 -0.53 -0.13 0.14 -2.47 0.00 0.00 174.74 171.64 3kgl s VAL 357 N 0.95 1.71 -0.03 0.89 -7.23 -0.82 -1.64 120.40 114.23 3kgl s VAL 357 Ca -0.03 -2.20 0.02 0.00 -1.81 0.00 0.00 61.98 57.97 3kgl s VAL 357 Cb -0.15 -2.08 0.01 0.00 0.56 0.00 0.00 36.38 34.72 3kgl s VAL 357 CO -0.02 -0.57 -0.09 -1.10 -0.31 0.00 0.00 175.10 173.01 3kgl s GLN 358 N -3.66 1.09 -0.08 4.82 -0.21 -0.85 -2.57 119.66 118.20 3kgl s GLN 358 Ca 0.23 -0.31 0.03 0.00 0.02 0.00 0.00 55.36 55.32 3kgl s GLN 358 Cb -0.00 -0.99 0.01 0.00 1.00 0.00 0.00 33.01 33.02 3kgl s GLN 358 CO 0.07 0.09 -0.16 0.08 -2.12 0.00 0.00 175.29 173.25 3kgl s VAL 359 N 0.33 1.45 -0.10 1.09 1.01 -0.93 -2.03 120.40 121.22 3kgl s VAL 359 Ca -0.06 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.29 3kgl s VAL 359 Cb -0.10 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 3kgl s VAL 359 CO 0.01 0.43 -0.20 -0.69 0.00 0.00 0.00 175.10 174.65 3kgl s VAL 360 N 0.62 2.48 0.06 2.92 1.01 0.16 -0.85 120.40 126.79 3kgl s VAL 360 Ca -0.15 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 60.95 3kgl s VAL 360 Cb -0.16 -1.98 0.01 0.00 0.00 0.00 0.00 36.38 34.25 3kgl s VAL 360 CO 0.05 0.55 0.08 -0.46 0.00 0.00 0.00 175.10 175.31 3kgl n ASN 361 N 3.38 0.12 0.24 3.32 0.23 -0.79 -0.60 115.26 121.15 3kgl n ASN 361 Ca -0.18 -1.10 0.13 0.00 -0.53 0.00 0.00 54.58 52.90 3kgl n ASN 361 Cb 0.53 -0.05 0.44 0.00 -2.08 0.00 0.00 39.78 38.61 3kgl n ASN 361 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 3kgl h ASP 362 N -0.04 0.00 0.40 0.53 2.03 -1.89 -1.56 116.42 115.88 3kgl h ASP 362 Ca -0.03 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.27 3kgl h ASP 362 Cb 0.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.60 3kgl h ASP 362 CO 0.03 0.11 -0.02 -3.20 -1.03 0.00 0.00 179.24 175.12 3kgl n ASN 363 N -3.19 0.13 0.00 4.15 5.15 -1.26 -4.89 115.26 115.34 3kgl n ASN 363 Ca 0.01 -0.43 0.00 0.00 -0.60 0.00 0.00 54.58 53.56 3kgl n ASN 363 Cb 0.43 -0.18 0.00 0.00 -0.53 0.00 0.00 39.78 39.51 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 1.22 0.47 3.91 8.20 0.00 -0.59 -5.03 105.19 113.37 3kgl n GLY 364 Ca 0.16 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.84 6.41 -0.64 1.61 1.01 -1.26 -4.86 116.67 116.09 3kgl s ASP 365 Ca 0.00 0.39 -0.28 0.00 0.71 0.00 0.00 52.55 53.37 3kgl s ASP 365 Cb 0.00 -2.01 0.02 0.00 1.01 0.00 0.00 42.92 41.95 3kgl s ASP 365 CO 0.00 0.10 1.31 -0.60 0.21 0.00 0.00 175.17 176.20 3kgl s ARG 366 N -2.67 3.29 0.00 8.23 3.52 -1.26 -1.88 118.95 128.17 3kgl s ARG 366 Ca 0.37 0.12 0.27 0.00 -0.13 0.00 0.00 55.73 56.36 3kgl s ARG 366 Cb -0.12 -4.13 0.89 0.00 -1.56 0.00 0.00 34.95 30.04 3kgl s ARG 366 CO 0.27 -1.98 1.66 1.33 -0.81 0.00 0.00 175.30 175.77 3kgl n VAL 367 N 6.62 0.00 -3.70 7.11 0.24 -0.03 -4.87 118.33 123.70 3kgl n VAL 367 Ca 0.08 -0.05 -0.14 0.00 -2.04 0.00 0.00 64.34 62.19 3kgl n VAL 367 Cb 0.49 0.06 -0.09 0.00 -1.47 0.00 0.00 33.84 32.83 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 -2.73 -0.39 -0.36 6.34 5.36 -1.15 -0.91 117.98 124.14 3kgl s PHE 368 Ca 0.20 0.81 -0.04 0.00 -0.96 0.00 0.00 56.93 56.94 3kgl s PHE 368 Cb 0.19 0.18 0.19 0.00 -0.34 0.00 0.00 43.02 43.24 3kgl s PHE 368 CO 0.57 -0.36 0.93 0.34 -1.46 0.00 0.00 175.22 175.24 3kgl s ASP 369 N -0.63 -0.68 0.00 6.13 2.15 -1.25 -2.18 116.67 120.21 3kgl s ASP 369 Ca -0.07 -0.41 0.00 0.00 0.43 0.00 0.00 52.55 52.50 3kgl s ASP 369 Cb -0.03 0.87 0.00 0.00 -0.30 0.00 0.00 42.92 43.45 3kgl s ASP 369 CO 0.04 -0.07 0.00 0.61 -0.17 0.00 0.00 175.17 175.58 3kgl n GLY 370 N 3.73 -1.30 3.76 2.66 0.00 -1.06 -5.01 105.19 107.97 3kgl n GLY 370 Ca 0.08 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 3kgl n GLY 370 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kgl s GLN 371 N -0.69 4.73 -0.18 1.61 -1.52 -1.26 -1.94 119.66 120.41 3kgl s GLN 371 Ca 0.00 1.36 -0.00 0.00 -1.95 0.00 0.00 55.36 54.76 3kgl s GLN 371 Cb 0.00 -3.29 0.05 0.00 -0.22 0.00 0.00 33.01 29.55 3kgl s GLN 371 CO 0.00 0.50 -0.05 0.54 -0.25 0.00 0.00 175.29 176.03 3kgl s VAL 372 N -1.01 1.14 0.00 1.09 0.11 -0.20 -4.84 120.40 116.69 3kgl s VAL 372 Ca 0.40 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.73 3kgl s VAL 372 Cb -0.25 -1.35 0.00 0.00 -1.53 0.00 0.00 36.38 33.26 3kgl s VAL 372 CO 0.29 0.07 0.00 -1.54 -3.33 0.00 0.00 175.10 170.60 3kgl n SER 373 N 4.85 0.84 -4.78 3.54 3.41 -1.26 -3.02 113.62 117.20 3kgl n SER 373 Ca -0.12 -0.39 -0.41 0.00 -0.26 0.00 0.00 58.87 57.69 3kgl n SER 373 Cb 0.47 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.42 3kgl n SER 373 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3kgl s GLN 374 N 0.55 4.15 0.00 4.33 0.74 -1.20 -2.77 119.66 125.46 3kgl s GLN 374 Ca 0.00 2.52 0.00 0.00 0.05 0.00 0.00 55.36 57.93 3kgl s GLN 374 Cb 0.00 -2.99 0.00 0.00 1.10 0.00 0.00 33.01 31.12 3kgl s GLN 374 CO 0.00 -0.49 0.00 0.41 -0.55 0.00 0.00 175.29 174.66 3kgl n GLY 375 N 0.66 0.78 3.77 2.59 0.00 -0.08 -5.00 105.19 107.91 3kgl n GLY 375 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.40 2.73 -0.04 1.61 -0.21 -1.11 -4.75 119.66 117.49 3kgl s GLN 376 Ca 0.00 -1.14 0.07 0.00 0.02 0.00 0.00 55.36 54.30 3kgl s GLN 376 Cb 0.00 -2.45 -0.01 0.00 1.00 0.00 0.00 33.01 31.55 3kgl s GLN 376 CO 0.00 0.40 -0.24 -1.17 -2.12 0.00 0.00 175.29 172.16 3kgl s LEU 377 N -3.70 2.04 -0.05 2.90 2.96 -0.49 -1.63 118.68 120.71 3kgl s LEU 377 Ca 0.32 -0.46 0.06 0.00 -0.22 0.00 0.00 54.13 53.83 3kgl s LEU 377 Cb -0.08 -1.26 -0.01 0.00 0.50 0.00 0.00 46.19 45.34 3kgl s LEU 377 CO 0.23 0.26 -0.23 -0.22 -1.32 0.00 0.00 176.35 175.07 3kgl s LEU 378 N -0.35 2.03 -0.10 -0.68 2.96 0.10 -1.32 118.68 121.32 3kgl s LEU 378 Ca 0.03 -0.47 -0.16 0.00 -0.22 0.00 0.00 54.13 53.31 3kgl s LEU 378 Cb -0.11 -1.27 -0.05 0.00 0.50 0.00 0.00 46.19 45.26 3kgl s LEU 378 CO 0.01 0.22 0.41 -0.55 -1.32 0.00 0.00 176.35 175.12 3kgl s SER 379 N -0.10 6.65 -0.49 3.68 0.15 -1.26 -0.42 113.70 121.90 3kgl s SER 379 Ca -0.04 0.77 0.03 0.00 0.70 0.00 0.00 55.95 57.41 3kgl s SER 379 Cb -0.13 -2.25 0.15 0.00 -1.71 0.00 0.00 66.02 62.08 3kgl s SER 379 CO 0.03 0.11 0.31 -0.63 1.20 0.00 0.00 173.24 174.26 3kgl s ILE 380 N 0.14 1.61 0.57 6.45 1.01 0.07 -5.00 121.20 126.06 3kgl s ILE 380 Ca 0.23 -2.96 -0.20 0.00 0.00 0.00 0.00 60.65 57.72 3kgl s ILE 380 Cb -0.15 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 40.17 3kgl s ILE 380 CO 0.09 -0.96 1.10 -2.65 0.00 0.00 0.00 174.94 172.52 3kgl n PRO 381 N 3.10 1.16 -1.54 2.79 -0.02 -1.26 -0.89 135.00 138.35 3kgl n PRO 381 Ca 0.14 0.44 -0.59 0.00 -2.02 0.00 0.00 63.50 61.47 3kgl n PRO 381 Cb 0.36 -2.29 -0.09 0.00 -0.02 0.00 0.00 33.50 31.46 3kgl n PRO 381 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3kgl n GLN 382 N -0.98 0.59 0.00 -0.52 7.27 -1.17 -1.10 117.38 121.48 3kgl n GLN 382 Ca 0.13 0.20 0.00 0.00 0.07 0.00 0.00 57.00 57.39 3kgl n GLN 382 Cb 0.46 -1.90 0.00 0.00 2.41 0.00 0.00 30.24 31.21 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 5.57 2.14 3.77 1.69 0.00 -1.04 -5.01 105.19 112.31 3kgl n GLY 383 Ca 0.38 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.20 3.11 -0.15 1.61 0.40 -0.25 -4.85 117.98 115.64 3kgl s PHE 384 Ca 0.00 1.46 -0.09 0.00 -0.60 0.00 0.00 56.93 57.70 3kgl s PHE 384 Cb 0.00 -3.61 -0.05 0.00 0.51 0.00 0.00 43.02 39.88 3kgl s PHE 384 CO 0.00 -1.66 0.16 -1.12 0.70 0.00 0.00 175.22 173.30 3kgl s SER 385 N -0.60 6.33 -0.04 1.36 0.01 0.23 -4.44 113.70 116.55 3kgl s SER 385 Ca 0.49 0.38 0.05 0.00 1.31 0.00 0.00 55.95 58.19 3kgl s SER 385 Cb -0.38 -2.09 -0.01 0.00 0.21 0.00 0.00 66.02 63.75 3kgl s SER 385 CO 0.50 0.28 -0.19 -0.69 0.41 0.00 0.00 173.24 173.55 3kgl s VAL 386 N -0.30 1.58 -0.13 3.43 1.01 0.50 -0.66 120.40 125.82 3kgl s VAL 386 Ca 0.12 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 3kgl s VAL 386 Cb -0.12 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 34.95 3kgl s VAL 386 CO 0.02 0.45 -0.07 0.54 0.00 0.00 0.00 175.10 176.03 3kgl s VAL 387 N -0.10 1.05 0.15 2.92 0.11 -0.86 -0.72 120.40 122.95 3kgl s VAL 387 Ca -0.02 -0.37 0.06 0.00 -2.93 0.00 0.00 61.98 58.72 3kgl s VAL 387 Cb -0.11 -1.10 -0.04 0.00 -1.53 0.00 0.00 36.38 33.60 3kgl s VAL 387 CO 0.02 0.31 0.07 -0.54 -3.33 0.00 0.00 175.10 171.63 3kgl s LYS 388 N 1.69 2.68 -0.21 1.54 1.02 -1.18 -2.01 119.74 123.27 3kgl s LYS 388 Ca 0.04 -0.93 -0.05 0.00 0.02 0.00 0.00 55.97 55.05 3kgl s LYS 388 Cb -0.13 -2.54 0.11 0.00 -0.52 0.00 0.00 37.83 34.74 3kgl s LYS 388 CO -0.08 0.49 0.40 0.50 -0.92 0.00 0.00 175.35 175.74 3kgl s ARG 389 N -2.88 0.33 0.58 1.68 3.00 -0.65 -0.49 118.95 120.52 3kgl s ARG 389 Ca 0.29 0.84 -0.19 0.00 -1.00 0.00 0.00 55.73 55.67 3kgl s ARG 389 Cb -0.10 0.03 -0.04 0.00 0.00 0.00 0.00 34.95 34.84 3kgl s ARG 389 CO 0.21 -0.40 1.18 0.00 0.00 0.00 0.00 175.30 176.29 3kgl s ALA 390 N 2.59 2.59 0.00 6.12 0.00 -1.05 -1.16 121.76 130.85 3kgl s ALA 390 Ca 0.04 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.96 3kgl s ALA 390 Cb -0.13 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3kgl s ALA 390 CO -0.14 -1.04 0.00 2.41 0.00 0.00 0.00 175.76 176.99 3kgl n THR 391 N -1.50 0.00 -2.71 0.00 -1.04 -0.95 -2.15 114.28 105.93 3kgl n THR 391 Ca 0.13 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.92 3kgl n THR 391 Cb 0.50 -0.21 0.08 0.00 -1.82 0.00 0.00 70.33 68.88 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 -1.56 4.74 0.06 8.00 1.04 -1.13 -4.92 113.70 119.93 3kgl s SER 392 Ca 0.00 -0.40 -0.15 0.00 0.48 0.00 0.00 55.95 55.88 3kgl s SER 392 Cb 0.00 -0.14 -0.05 0.00 0.10 0.00 0.00 66.02 65.93 3kgl s SER 392 CO 0.00 -1.57 1.25 -0.33 0.98 0.00 0.00 173.24 173.58 3kgl h GLU 393 N -0.21 -0.16 -5.37 4.02 4.39 -1.96 -3.16 114.58 112.14 3kgl h GLU 393 Ca -0.36 0.01 -0.45 0.00 0.34 0.00 0.00 59.36 58.90 3kgl h GLU 393 Cb 1.28 0.04 -0.24 0.00 -0.10 0.00 0.00 28.75 29.72 3kgl h GLU 393 CO 0.43 -0.10 -0.79 1.14 -1.16 0.00 0.00 179.01 178.52 3kgl s GLN 394 N -4.22 0.94 -0.20 2.33 -2.07 -1.26 -0.72 119.66 114.45 3kgl s GLN 394 Ca -0.07 -0.80 -0.00 0.00 -1.82 0.00 0.00 55.36 52.68 3kgl s GLN 394 Cb 0.04 -0.96 0.02 0.00 -1.09 0.00 0.00 33.01 31.02 3kgl s GLN 394 CO 0.28 0.23 -0.14 0.12 -1.32 0.00 0.00 175.29 174.47 3kgl s PHE 395 N -0.91 2.89 -0.05 9.60 5.36 0.19 -3.96 117.98 131.10 3kgl s PHE 395 Ca 0.01 -1.54 0.04 0.00 -0.96 0.00 0.00 56.93 54.49 3kgl s PHE 395 Cb -0.08 -1.98 -0.00 0.00 -0.34 0.00 0.00 43.02 40.62 3kgl s PHE 395 CO 0.01 -0.75 -0.17 1.03 -1.46 0.00 0.00 175.22 173.88 3kgl s ARG 396 N 1.32 1.91 0.20 10.12 0.52 -0.50 -1.55 118.95 130.97 3kgl s ARG 396 Ca 0.03 -0.62 -0.06 0.00 -0.52 0.00 0.00 55.73 54.56 3kgl s ARG 396 Cb -0.14 -1.62 -0.02 0.00 0.52 0.00 0.00 34.95 33.69 3kgl s ARG 396 CO -0.09 0.21 0.26 1.67 0.02 0.00 0.00 175.30 177.38 3kgl s TRP 397 N 0.14 0.71 0.01 -0.53 -2.14 -0.13 -1.33 118.94 115.68 3kgl s TRP 397 Ca -0.07 -1.02 0.04 0.00 2.66 0.00 0.00 56.10 57.71 3kgl s TRP 397 Cb -0.13 -0.21 -0.01 0.00 -3.10 0.00 0.00 33.47 30.02 3kgl s TRP 397 CO 0.03 -0.75 -0.12 -1.50 -2.66 0.00 0.00 176.95 171.95 3kgl s ILE 398 N -4.06 0.93 -0.09 0.66 1.10 -0.32 -1.27 121.20 118.15 3kgl s ILE 398 Ca 0.27 -0.71 0.03 0.00 -0.51 0.00 0.00 60.65 59.74 3kgl s ILE 398 Cb 0.04 -0.82 0.01 0.00 0.15 0.00 0.00 42.46 41.84 3kgl s ILE 398 CO 0.07 0.11 -0.17 -1.61 -2.11 0.00 0.00 174.94 171.23 3kgl s GLU 399 N -0.67 2.35 -0.20 3.50 2.02 0.21 -1.04 118.70 124.86 3kgl s GLU 399 Ca 0.02 -0.63 -0.06 0.00 0.02 0.00 0.00 54.97 54.32 3kgl s GLU 399 Cb -0.06 -1.87 -0.03 0.00 0.10 0.00 0.00 34.13 32.27 3kgl s GLU 399 CO 0.00 0.06 0.03 -0.06 0.02 0.00 0.00 175.26 175.31 3kgl s PHE 400 N 0.63 3.10 -0.04 1.61 0.08 0.12 0.02 117.98 123.51 3kgl s PHE 400 Ca -0.14 -0.29 0.06 0.00 0.12 0.00 0.00 56.93 56.69 3kgl s PHE 400 Cb -0.16 -2.11 -0.01 0.00 -0.57 0.00 0.00 43.02 40.16 3kgl s PHE 400 CO 0.04 -0.15 -0.24 0.15 -0.10 0.00 0.00 175.22 174.92 3kgl s LYS 401 N 0.94 2.22 -1.50 0.44 1.02 -0.56 0.09 119.74 122.40 3kgl s LYS 401 Ca 0.02 -0.86 -0.09 0.00 0.02 0.00 0.00 55.97 55.06 3kgl s LYS 401 Cb -0.14 -1.99 -0.09 0.00 -0.52 0.00 0.00 37.83 35.09 3kgl s LYS 401 CO 0.02 0.42 2.97 0.25 -0.92 0.00 0.00 175.35 178.10 3kgl n THR 402 N 2.78 4.30 -3.64 2.17 -2.24 0.06 -1.11 114.28 116.60 3kgl n THR 402 Ca -0.17 -2.63 -0.08 0.00 -2.27 0.00 0.00 64.05 58.90 3kgl n THR 402 Cb 0.52 -2.54 -0.07 0.00 -2.10 0.00 0.00 70.33 66.14 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 2.03 -0.74 0.65 3.42 3.84 -1.05 -4.60 114.94 118.49 3kgl s ASN 403 Ca 0.69 1.27 0.40 0.00 0.21 0.00 0.00 52.86 55.43 3kgl s ASN 403 Cb 0.19 1.30 2.22 0.00 -0.55 0.00 0.00 41.25 44.41 3kgl s ASN 403 CO -0.06 -0.21 2.30 0.00 -2.79 0.00 0.00 177.10 176.34 3kgl h ALA 404 N 5.92 1.17 -2.16 1.71 0.00 -1.71 -0.96 119.26 123.23 3kgl h ALA 404 Ca -0.29 -0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.16 3kgl h ALA 404 Cb 1.20 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 18.65 3kgl h ALA 404 CO 0.13 -0.05 -0.77 1.21 0.00 0.00 0.00 179.25 179.77 3kgl s ASN 405 N -5.31 1.61 0.45 0.00 3.84 -1.26 -1.27 114.94 112.99 3kgl s ASN 405 Ca -0.05 -2.03 -0.23 0.00 0.21 0.00 0.00 52.86 50.76 3kgl s ASN 405 Cb 0.13 0.18 -0.07 0.00 -0.55 0.00 0.00 41.25 40.94 3kgl s ASN 405 CO 0.43 -0.25 1.18 0.00 -2.79 0.00 0.00 177.10 175.67 3kgl s ALA 406 N 1.06 3.01 -0.29 1.71 0.00 -1.22 -5.01 121.76 121.02 3kgl s ALA 406 Ca 0.21 0.97 0.03 0.00 0.00 0.00 0.00 51.96 53.16 3kgl s ALA 406 Cb -0.14 -3.39 0.07 0.00 0.00 0.00 0.00 23.12 19.66 3kgl s ALA 406 CO -0.04 -0.67 -0.05 -1.14 0.00 0.00 0.00 175.76 173.86 3kgl s GLN 407 N -2.62 2.02 0.19 0.00 2.00 -1.26 -5.07 119.66 114.92 3kgl s GLN 407 Ca 0.62 -1.51 -0.28 0.00 -2.00 0.00 0.00 55.36 52.19 3kgl s GLN 407 Cb -0.30 -3.02 -0.08 0.00 0.80 0.00 0.00 33.01 30.41 3kgl s GLN 407 CO 0.37 -0.70 0.89 0.42 -0.50 0.00 0.00 175.29 175.77 3kgl s ILE 408 N 1.05 4.25 -0.08 -2.34 1.01 -1.26 -1.76 121.20 122.06 3kgl s ILE 408 Ca -0.02 1.96 0.04 0.00 0.00 0.00 0.00 60.65 62.62 3kgl s ILE 408 Cb -0.20 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.01 3kgl s ILE 408 CO -0.06 0.48 -0.21 0.20 0.00 0.00 0.00 174.94 175.35 3kgl s ASN 409 N -0.95 2.68 0.03 3.58 0.01 0.94 -4.91 114.94 116.31 3kgl s ASN 409 Ca 0.40 -0.47 0.04 0.00 -0.71 0.00 0.00 52.86 52.12 3kgl s ASN 409 Cb -0.25 -1.10 -0.04 0.00 0.41 0.00 0.00 41.25 40.27 3kgl s ASN 409 CO 0.30 0.14 -0.04 0.28 -1.51 0.00 0.00 177.10 176.27 3kgl s THR 410 N 0.31 3.82 -2.26 1.60 -1.32 -1.26 -0.40 115.64 116.12 3kgl s THR 410 Ca -0.14 -0.83 0.21 0.00 -1.21 0.00 0.00 61.69 59.72 3kgl s THR 410 Cb -0.16 -2.72 0.39 0.00 -1.51 0.00 0.00 72.50 68.50 3kgl s THR 410 CO 0.06 0.30 1.35 0.18 -2.21 0.00 0.00 174.62 174.30 3kgl n LEU 411 N 1.22 3.32 -3.51 9.08 4.77 0.79 -1.25 117.00 131.43 3kgl n LEU 411 Ca -0.14 -1.51 -0.11 0.00 -0.03 0.00 0.00 56.01 54.22 3kgl n LEU 411 Cb 0.52 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 3kgl n LEU 411 CO 0.34 0.72 0.30 0.00 -1.33 0.00 0.00 177.39 177.41 3kgl s ALA 412 N -1.40 -1.32 0.00 -1.18 0.00 -1.26 -4.72 121.76 111.88 3kgl s ALA 412 Ca 0.36 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.58 3kgl s ALA 412 Cb 0.21 0.81 0.00 0.00 0.00 0.00 0.00 23.12 24.14 3kgl s ALA 412 CO 0.29 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.74 3kgl n GLY 413 N -0.32 -1.84 0.35 0.00 0.00 -1.25 -4.07 105.19 98.07 3kgl n GLY 413 Ca -0.16 -1.77 0.07 0.00 0.00 0.00 0.00 46.02 44.16 3kgl n GLY 413 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kgl h ARG 414 N 0.00 0.74 -0.36 1.61 3.08 -1.30 -2.45 114.38 115.71 3kgl h ARG 414 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3kgl h ARG 414 Cb 0.00 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.88 3kgl h ARG 414 CO 0.00 0.49 0.00 0.25 -1.07 0.00 0.00 179.97 179.64 3kgl n THR 415 N -4.49 2.16 -0.79 2.04 -2.24 -1.26 -4.93 114.28 104.76 3kgl n THR 415 Ca 0.11 -1.62 -0.29 0.00 -2.27 0.00 0.00 64.05 59.98 3kgl n THR 415 Cb 0.25 -0.12 0.20 0.00 -2.10 0.00 0.00 70.33 68.55 3kgl n THR 415 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kgl s SER 416 N -1.52 2.20 0.15 3.42 1.04 -0.92 -4.51 113.70 113.55 3kgl s SER 416 Ca 0.43 1.66 -0.09 0.00 0.48 0.00 0.00 55.95 58.42 3kgl s SER 416 Cb 0.32 -2.31 -0.03 0.00 0.10 0.00 0.00 66.02 64.11 3kgl s SER 416 CO 0.12 -3.46 1.44 1.62 0.98 0.00 0.00 173.24 173.94 3kgl h VAL 417 N -2.12 1.29 0.00 5.02 3.04 -1.46 -2.84 116.25 119.18 3kgl h VAL 417 Ca -0.53 -1.75 -0.00 0.00 -1.01 0.00 0.00 66.70 63.40 3kgl h VAL 417 Cb 1.30 1.67 -0.00 0.00 -2.01 0.00 0.00 31.29 32.26 3kgl h VAL 417 CO 0.50 0.56 -0.00 -0.07 -1.01 0.00 0.00 177.57 177.55 3kgl h LEU 418 N 0.60 0.00 -0.82 3.16 -0.00 -1.84 -2.43 115.31 113.98 3kgl h LEU 418 Ca 0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.85 3kgl h LEU 418 Cb 1.14 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.77 3kgl h LEU 418 CO 0.12 0.00 0.35 -0.09 -0.00 0.00 0.00 178.44 178.82 3kgl h ARG 419 N 0.00 1.21 -0.24 1.13 9.65 -1.74 -1.90 114.38 122.50 3kgl h ARG 419 Ca -0.00 -0.20 0.00 0.00 -1.10 0.00 0.00 59.98 58.68 3kgl h ARG 419 Cb 0.00 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.38 3kgl h ARG 419 CO 0.00 0.96 0.00 0.41 2.80 0.00 0.00 179.97 184.14 3kgl n GLY 420 N -0.93 0.10 3.51 2.80 0.00 -0.92 -4.83 105.19 104.93 3kgl n GLY 420 Ca 0.08 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 3kgl n GLY 420 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kgl s LEU 421 N -1.00 3.63 0.05 0.99 2.96 -0.71 -5.06 118.68 119.53 3kgl s LEU 421 Ca 0.15 -0.11 -0.36 0.00 -0.22 0.00 0.00 54.13 53.59 3kgl s LEU 421 Cb 0.08 -1.97 -0.19 0.00 0.50 0.00 0.00 46.19 44.61 3kgl s LEU 421 CO 0.10 0.01 0.92 -2.65 -1.32 0.00 0.00 176.35 173.41 3kgl n PRO 422 N 4.64 0.00 -0.10 0.98 -0.02 -1.26 -4.81 135.00 134.43 3kgl n PRO 422 Ca -0.16 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.34 3kgl n PRO 422 Cb 0.52 -1.35 0.33 0.00 -0.02 0.00 0.00 33.50 32.97 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 2.45 0.66 -1.51 2.45 3.38 -1.97 -1.44 115.31 119.33 3kgl h LEU 423 Ca -0.45 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 3kgl h LEU 423 Cb 1.42 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3kgl h LEU 423 CO 0.62 0.50 -0.25 -0.33 0.09 0.00 0.00 178.44 179.07 3kgl h GLU 424 N 0.77 0.00 -0.21 1.13 3.07 -1.98 0.11 114.58 117.47 3kgl h GLU 424 Ca 0.21 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.04 3kgl h GLU 424 Cb -0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 3kgl h GLU 424 CO -0.04 0.25 0.04 0.28 -1.40 0.00 0.00 179.01 178.14 3kgl h VAL 425 N 0.00 1.22 -0.68 3.13 2.07 -1.62 -1.63 116.25 118.74 3kgl h VAL 425 Ca -0.00 -0.72 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 3kgl h VAL 425 Cb 0.48 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3kgl h VAL 425 CO 0.03 0.23 0.13 0.40 0.02 0.00 0.00 177.57 178.38 3kgl h ILE 426 N 0.15 1.26 0.03 4.57 2.04 -1.01 -1.24 117.51 123.32 3kgl h ILE 426 Ca 0.06 -1.02 -0.22 0.00 1.00 0.00 0.00 64.86 64.69 3kgl h ILE 426 Cb 0.30 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3kgl h ILE 426 CO 0.00 0.39 -0.99 0.77 0.00 0.00 0.00 178.15 178.32 3kgl h SER 427 N 1.05 0.30 0.40 1.72 4.64 -0.81 -2.41 113.55 118.44 3kgl h SER 427 Ca 0.21 -0.27 -0.31 0.00 -0.47 0.00 0.00 61.79 60.95 3kgl h SER 427 Cb 0.42 -0.09 0.03 0.00 -0.31 0.00 0.00 62.40 62.44 3kgl h SER 427 CO 0.01 1.12 -1.37 0.78 -0.87 0.00 0.00 176.83 176.50 3kgl h ASN 428 N 0.10 0.69 -0.53 4.97 2.35 -1.29 -2.59 115.58 119.27 3kgl h ASN 428 Ca -0.07 -0.73 -0.05 0.00 -0.55 0.00 0.00 56.30 54.91 3kgl h ASN 428 Cb 1.66 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 39.79 3kgl h ASN 428 CO 0.15 1.57 0.13 1.23 -1.65 0.00 0.00 177.43 178.86 3kgl h GLY 429 N 0.73 0.91 -0.26 2.83 0.00 -1.28 -3.22 103.07 102.78 3kgl h GLY 429 Ca -0.20 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.56 3kgl h GLY 429 CO 0.25 0.53 -0.49 -1.72 0.00 0.00 0.00 176.54 175.11 3kgl n TYR 430 N -4.43 0.00 -3.41 5.60 4.01 -0.91 -4.97 117.16 113.06 3kgl n TYR 430 Ca 0.02 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.60 3kgl n TYR 430 Cb 0.23 -0.06 0.03 0.00 -0.31 0.00 0.00 39.34 39.22 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 -0.59 -1.48 -4.28 -0.72 6.02 -1.06 -5.06 117.38 110.22 3kgl n GLN 431 Ca 0.09 0.95 -0.15 0.00 -0.01 0.00 0.00 57.00 57.88 3kgl n GLN 431 Cb 0.40 -4.67 -0.10 0.00 1.02 0.00 0.00 30.24 26.89 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 -3.20 0.59 0.79 5.09 -4.36 -1.00 -5.07 121.20 114.04 3kgl s ILE 432 Ca 0.22 -1.99 -0.11 0.00 -0.26 0.00 0.00 60.65 58.51 3kgl s ILE 432 Cb -0.06 -2.40 0.06 0.00 1.25 0.00 0.00 42.46 41.32 3kgl s ILE 432 CO 0.81 -0.22 1.09 -0.94 0.24 0.00 0.00 174.94 175.92 3kgl s SER 433 N -3.24 4.45 0.46 4.36 1.04 -1.26 -4.63 113.70 114.87 3kgl s SER 433 Ca 0.32 1.68 0.20 0.00 0.48 0.00 0.00 55.95 58.63 3kgl s SER 433 Cb 0.07 -2.41 1.17 0.00 0.10 0.00 0.00 66.02 64.95 3kgl s SER 433 CO 0.09 -2.05 1.91 -0.07 0.98 0.00 0.00 173.24 174.10 3kgl h LEU 434 N -1.14 0.28 0.34 2.42 -0.00 -1.95 -0.29 115.31 114.98 3kgl h LEU 434 Ca -0.45 0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.43 3kgl h LEU 434 Cb 1.24 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.87 3kgl h LEU 434 CO 0.53 0.13 -0.17 -0.08 -0.00 0.00 0.00 178.44 178.86 3kgl h GLU 435 N 0.29 -0.45 -0.92 1.13 4.57 -1.98 0.17 114.58 117.39 3kgl h GLU 435 Ca 0.39 0.03 0.32 0.00 -1.18 0.00 0.00 59.36 58.92 3kgl h GLU 435 Cb 1.07 0.10 -0.17 0.00 -0.16 0.00 0.00 28.75 29.59 3kgl h GLU 435 CO -0.10 -0.30 0.26 0.39 -1.18 0.00 0.00 179.01 178.08 3kgl n GLU 436 N -4.29 -0.06 -0.02 1.92 1.02 -1.16 -0.41 120.64 117.63 3kgl n GLU 436 Ca -0.06 1.33 -0.13 0.00 -0.02 0.00 0.00 57.16 58.28 3kgl n GLU 436 Cb 0.18 -2.24 -0.00 0.00 -0.02 0.00 0.00 31.44 29.36 3kgl n GLU 436 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kgl h ALA 437 N 1.84 0.54 -0.54 0.62 0.00 -0.92 -0.51 119.26 120.29 3kgl h ALA 437 Ca 0.67 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3kgl h ALA 437 Cb 1.61 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 3kgl h ALA 437 CO -0.79 0.69 0.36 -0.09 0.00 0.00 0.00 179.25 179.42 3kgl h ARG 438 N 0.52 0.66 0.14 0.00 2.43 0.22 -1.85 114.38 116.50 3kgl h ARG 438 Ca -0.00 -0.04 -0.36 0.00 -0.81 0.00 0.00 59.98 58.77 3kgl h ARG 438 Cb 1.19 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 3kgl h ARG 438 CO 0.12 0.44 -1.94 0.07 -1.51 0.00 0.00 179.97 177.15 3kgl h ARG 439 N 0.68 0.29 0.00 0.20 0.11 -1.28 -2.98 114.38 111.41 3kgl h ARG 439 Ca 0.21 -0.50 0.00 0.00 0.10 0.00 0.00 59.98 59.79 3kgl h ARG 439 Cb -0.01 0.19 0.00 0.00 1.11 0.00 0.00 29.97 31.26 3kgl h ARG 439 CO -0.05 1.24 0.16 0.28 0.10 0.00 0.00 179.97 181.70 3kgl h VAL 440 N 0.07 0.00 0.00 0.08 2.07 -0.90 0.23 116.25 117.79 3kgl h VAL 440 Ca -0.41 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 66.80 3kgl h VAL 440 Cb 2.04 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 32.37 3kgl h VAL 440 CO 0.11 0.00 -2.32 1.17 0.02 0.00 0.00 177.57 176.55 3kgl n LYS 441 N -2.60 0.73 0.00 1.57 4.81 -0.71 -4.82 118.16 117.14 3kgl n LYS 441 Ca -0.02 -0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 3kgl n LYS 441 Cb 0.20 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 33.74 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 -2.67 0.00 -0.19 5.64 3.72 -0.15 -4.54 117.46 119.27 3kgl n PHE 442 Ca -0.29 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.01 3kgl n PHE 442 Cb 1.07 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.56 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 -1.59 -2.12 4.37 -0.26 -0.86 -3.36 115.58 111.76 3kgl h ASN 443 Ca 0.00 0.24 -0.57 0.00 -0.56 0.00 0.00 56.30 55.41 3kgl h ASN 443 Cb 0.84 0.70 -0.01 0.00 -1.06 0.00 0.00 38.32 38.79 3kgl h ASN 443 CO 0.00 -0.35 1.45 -0.89 -1.06 0.00 0.00 177.43 176.58 3kgl s THR 444 N -5.79 3.13 -0.35 2.81 2.01 -1.26 -4.80 115.64 111.39 3kgl s THR 444 Ca -0.14 0.13 0.23 0.00 0.31 0.00 0.00 61.69 62.21 3kgl s THR 444 Cb 0.12 -3.19 -0.08 0.00 0.01 0.00 0.00 72.50 69.36 3kgl s THR 444 CO 0.65 -0.13 0.98 0.00 -0.69 0.00 0.00 174.62 175.43 3kgl n ILE 445 N 7.69 0.38 -2.07 1.82 0.00 -1.26 -3.60 119.36 122.32 3kgl n ILE 445 Ca 0.29 -0.43 -0.31 0.00 0.00 0.00 0.00 62.75 62.30 3kgl n ILE 445 Cb 0.47 -0.12 -0.00 0.00 0.00 0.00 0.00 39.64 39.98 3kgl n ILE 445 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3kgl s GLU 446 N -3.32 3.67 -0.15 9.51 1.03 -1.26 -4.24 118.70 123.93 3kgl s GLU 446 Ca 0.00 0.74 -0.03 0.00 0.03 0.00 0.00 54.97 55.70 3kgl s GLU 446 Cb 0.12 -2.13 -0.24 0.00 -0.80 0.00 0.00 34.13 31.08 3kgl s GLU 446 CO 0.80 -0.46 0.23 2.41 -1.33 0.00 0.00 175.26 176.92 3kgl n THR 447 N -2.42 1.70 0.00 1.83 -1.04 -1.26 -1.42 114.28 111.66 3kgl n THR 447 Ca 0.06 -0.65 0.00 0.00 -2.04 0.00 0.00 64.05 61.42 3kgl n THR 447 Cb 0.54 -1.60 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 3kgl n THR 447 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3kgl n THR 448 N -3.39 0.00 -3.94 12.58 -1.04 -1.26 -4.65 114.28 112.57 3kgl n THR 448 Ca -0.35 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.37 3kgl n THR 448 Cb 1.04 -0.54 -0.04 0.00 -1.82 0.00 0.00 70.33 68.96 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 -4.97 4.28 0.05 -4.42 1.43 -1.26 -0.53 118.68 113.26 3kgl s LEU 449 Ca 0.00 0.21 -0.27 0.00 -1.03 0.00 0.00 54.13 53.04 3kgl s LEU 449 Cb 0.00 -2.88 0.09 0.00 0.03 0.00 0.00 46.19 43.42 3kgl s LEU 449 CO 0.00 0.14 0.92 0.28 0.23 0.00 0.00 176.35 177.93 3kgl s THR 450 N -1.55 0.00 0.26 5.49 -1.32 -0.75 -4.82 115.64 112.95 3kgl s THR 450 Ca 0.34 -0.24 -0.21 0.00 -1.21 0.00 0.00 61.69 60.37 3kgl s THR 450 Cb -0.12 -1.37 -0.09 0.00 -1.51 0.00 0.00 72.50 69.41 3kgl s THR 450 CO 0.27 0.00 0.79 -1.00 -2.21 0.00 0.00 174.62 172.47 3kgl s HIS 451 N -3.16 3.65 -1.35 9.09 0.09 -1.26 -0.23 115.29 122.11 3kgl s HIS 451 Ca 0.08 1.50 -0.16 0.00 -0.00 0.00 0.00 55.06 56.48 3kgl s HIS 451 Cb -0.01 -2.71 0.03 0.00 -0.00 0.00 0.00 32.58 29.89 3kgl s HIS 451 CO -0.05 0.29 2.04 0.43 -0.00 0.00 0.00 174.74 177.45 3kgl n SER 452 N 0.64 4.11 -3.64 1.40 7.64 -0.56 -4.79 113.62 118.42 3kgl n SER 452 Ca -0.01 -2.85 -0.08 0.00 1.01 0.00 0.00 58.87 56.94 3kgl n SER 452 Cb 0.51 -1.66 -0.07 0.00 -1.01 0.00 0.00 64.21 61.98 3kgl n SER 452 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3kgl s SER 453 N 3.77 -0.54 0.40 6.43 1.04 -1.26 -5.08 113.70 118.46 3kgl s SER 453 Ca 0.51 0.99 0.02 0.00 0.48 0.00 0.00 55.95 57.95 3kgl s SER 453 Cb 0.10 1.07 0.02 0.00 0.10 0.00 0.00 66.02 67.32 3kgl s SER 453 CO -0.01 -0.17 0.21 0.61 0.98 0.00 0.00 173.24 174.86 3kgl n GLY 454 N 2.75 3.12 0.00 7.32 0.00 -1.26 -5.20 105.19 111.92 3kgl n GLY 454 Ca -0.14 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.59 3kgl n GLY 454 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27