#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6h n LYS 2 N 0.00 -0.98 -3.67 0.03 5.02 -1.26 -5.02 118.16 112.28 2k6h n LYS 2 Ca 0.00 0.56 -0.23 0.00 -2.02 0.00 0.00 58.31 56.62 2k6h n LYS 2 Cb 0.00 -4.46 -0.02 0.00 -0.02 0.00 0.00 35.03 30.52 2k6h n LYS 2 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2k6h s ARG 3 N -1.94 2.41 -0.05 1.97 0.52 -1.26 -4.67 118.95 115.93 2k6h s ARG 3 Ca 0.00 -1.71 0.03 0.00 -0.52 0.00 0.00 55.73 53.54 2k6h s ARG 3 Cb 0.00 -2.28 0.00 0.00 0.52 0.00 0.00 34.95 33.19 2k6h s ARG 3 CO 0.00 -0.35 -0.14 -1.50 0.02 0.00 0.00 175.30 173.33 2k6h s ILE 4 N -2.58 1.25 -0.10 1.52 -1.16 -1.26 -5.07 121.20 113.80 2k6h s ILE 4 Ca 0.44 -0.59 -0.25 0.00 -0.51 0.00 0.00 60.65 59.74 2k6h s ILE 4 Cb -0.02 -1.10 -0.03 0.00 0.61 0.00 0.00 42.46 41.92 2k6h s ILE 4 CO 0.26 0.37 0.80 -0.69 -2.81 0.00 0.00 174.94 172.87 2k6h s VAL 5 N 0.29 4.95 0.08 4.00 1.01 -1.26 -4.83 120.40 124.65 2k6h s VAL 5 Ca -0.08 1.62 -0.36 0.00 0.00 0.00 0.00 61.98 63.15 2k6h s VAL 5 Cb -0.13 -4.12 -0.16 0.00 0.00 0.00 0.00 36.38 31.97 2k6h s VAL 5 CO 0.03 0.15 1.41 -2.65 0.00 0.00 0.00 175.10 174.03 2k6h n PRO 6 N 4.38 1.36 -0.06 2.72 -0.02 -1.26 -4.94 135.00 137.18 2k6h n PRO 6 Ca 0.02 0.49 -0.03 0.00 -2.02 0.00 0.00 63.50 61.96 2k6h n PRO 6 Cb 0.50 -2.16 -0.01 0.00 -0.02 0.00 0.00 33.50 31.81 2k6h n PRO 6 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2k6h h LYS 7 N 4.99 0.00 -4.12 -0.52 1.79 -1.92 -3.48 116.57 113.31 2k6h h LYS 7 Ca -0.47 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 57.80 2k6h h LYS 7 Cb 1.32 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.76 2k6h h LYS 7 CO 0.81 0.02 -0.71 -0.59 -1.08 0.00 0.00 179.45 177.90 2k6h s PHE 8 N -1.94 0.36 -0.01 -1.35 -0.71 -1.26 -5.16 117.98 107.91 2k6h s PHE 8 Ca -0.08 -0.52 -0.00 0.00 -1.04 0.00 0.00 56.93 55.28 2k6h s PHE 8 Cb 0.01 -0.24 0.02 0.00 -1.21 0.00 0.00 43.02 41.60 2k6h s PHE 8 CO 0.13 -0.17 0.02 0.99 -1.34 0.00 0.00 175.22 174.85 2k6h s THR 9 N -1.45 -0.03 -0.09 -4.49 2.01 -1.26 -3.95 115.64 106.38 2k6h s THR 9 Ca -0.14 0.11 0.01 0.00 0.31 0.00 0.00 61.69 61.98 2k6h s THR 9 Cb -0.10 -0.05 -0.02 0.00 0.01 0.00 0.00 72.50 72.34 2k6h s THR 9 CO -0.01 0.05 -0.11 -1.61 -0.69 0.00 0.00 174.62 172.25 2k6h s GLU 10 N 0.56 2.93 -0.11 4.92 2.02 -1.23 -5.05 118.70 122.74 2k6h s GLU 10 Ca -0.05 -0.64 0.02 0.00 0.02 0.00 0.00 54.97 54.32 2k6h s GLU 10 Cb -0.07 -2.55 -0.01 0.00 0.10 0.00 0.00 34.13 31.60 2k6h s GLU 10 CO -0.02 0.48 -0.18 0.42 0.02 0.00 0.00 175.26 175.98 2k6h s ILE 11 N -0.33 2.63 0.05 -1.63 1.01 -1.26 -2.31 121.20 119.35 2k6h s ILE 11 Ca 0.04 -0.82 0.05 0.00 0.00 0.00 0.00 60.65 59.92 2k6h s ILE 11 Cb -0.13 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 2k6h s ILE 11 CO 0.02 0.54 -0.15 -0.36 0.00 0.00 0.00 174.94 175.00 2k6h s PHE 12 N 0.27 1.31 1.11 3.97 0.40 -0.65 -5.01 117.98 119.38 2k6h s PHE 12 Ca -0.13 -0.37 -0.18 0.00 -0.60 0.00 0.00 56.93 55.66 2k6h s PHE 12 Cb -0.16 -0.77 0.25 0.00 0.51 0.00 0.00 43.02 42.85 2k6h s PHE 12 CO 0.07 0.05 1.18 -1.25 0.70 0.00 0.00 175.22 175.97 2k6h s PRO 13 N -1.24 -0.48 0.00 0.24 0.04 -1.26 -1.01 135.00 131.29 2k6h s PRO 13 Ca 0.02 -0.17 0.00 0.00 0.04 0.00 0.00 61.00 60.89 2k6h s PRO 13 Cb -0.08 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.76 2k6h s PRO 13 CO 0.02 -3.20 0.00 0.28 0.04 0.00 0.00 177.00 174.14 2k6h n VAL 14 N -4.37 0.00 0.35 -0.36 0.31 -1.11 -4.75 118.33 108.40 2k6h n VAL 14 Ca 0.14 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.60 2k6h n VAL 14 Cb 0.59 -0.16 0.56 0.00 -0.91 0.00 0.00 33.84 33.93 2k6h n VAL 14 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2k6h h GLU 15 N 0.00 0.00 -4.41 5.55 3.07 -1.88 -3.40 114.58 113.51 2k6h h GLU 15 Ca 0.00 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.38 2k6h h GLU 15 Cb 0.16 0.00 -0.33 0.00 -0.84 0.00 0.00 28.75 27.74 2k6h h GLU 15 CO 0.00 0.00 -0.80 0.34 -1.40 0.00 0.00 179.01 177.15 2k6h s ASP 16 N -4.61 1.54 -1.35 1.42 2.15 -1.26 -4.98 116.67 109.58 2k6h s ASP 16 Ca 0.03 -0.25 -0.12 0.00 0.43 0.00 0.00 52.55 52.64 2k6h s ASP 16 Cb 0.09 -0.72 -0.05 0.00 -0.30 0.00 0.00 42.92 41.94 2k6h s ASP 16 CO 0.42 0.01 2.48 0.00 -0.17 0.00 0.00 175.17 177.92 2k6h n ALA 17 N 3.85 6.00 0.08 3.66 0.00 -1.26 -4.64 120.51 128.20 2k6h n ALA 17 Ca -0.24 -3.30 -0.23 0.00 0.00 0.00 0.00 53.44 49.67 2k6h n ALA 17 Cb 0.52 -3.38 -0.15 0.00 0.00 0.00 0.00 19.45 16.44 2k6h n ALA 17 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2k6h h ASN 18 N 5.85 0.62 -3.61 0.00 -0.73 -1.96 -3.45 115.58 112.31 2k6h h ASN 18 Ca 0.67 -0.90 -0.67 0.00 1.87 0.00 0.00 56.30 57.26 2k6h h ASN 18 Cb 0.40 -0.20 -0.17 0.00 0.27 0.00 0.00 38.32 38.62 2k6h h ASN 18 CO 1.77 1.76 -0.71 -0.72 -0.37 0.00 0.00 177.43 179.17 2k6h s TYR 19 N -2.58 2.88 0.40 0.67 1.13 -1.26 -5.11 117.35 113.47 2k6h s TYR 19 Ca -0.15 -0.05 -0.27 0.00 -1.41 0.00 0.00 57.07 55.20 2k6h s TYR 19 Cb 0.05 -1.60 -0.09 0.00 -1.10 0.00 0.00 41.96 39.22 2k6h s TYR 19 CO 0.86 0.37 1.35 -2.14 -2.51 0.00 0.00 175.55 173.49 2k6h s PRO 20 N -1.47 4.01 0.34 -3.49 0.02 -1.26 -4.94 135.00 128.21 2k6h s PRO 20 Ca 0.17 2.28 0.03 0.00 0.02 0.00 0.00 61.00 63.50 2k6h s PRO 20 Cb -0.11 -2.83 0.60 0.00 0.02 0.00 0.00 34.50 32.18 2k6h s PRO 20 CO 0.08 -0.50 1.91 1.88 -0.33 0.00 0.00 177.00 180.04 2k6h h TYR 21 N 2.79 0.65 -0.69 6.54 0.05 -1.88 -1.60 116.97 122.83 2k6h h TYR 21 Ca -0.50 -0.04 0.05 0.00 0.05 0.00 0.00 58.73 58.29 2k6h h TYR 21 Cb 1.24 -0.20 -0.05 0.00 1.01 0.00 0.00 36.73 38.73 2k6h h TYR 21 CO 0.53 0.54 0.41 1.03 -1.05 0.00 0.00 178.16 179.62 2k6h h SER 22 N 0.64 0.63 -0.11 3.88 0.87 -1.92 0.11 113.55 117.65 2k6h h SER 22 Ca 0.15 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 2k6h h SER 22 Cb 0.19 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2k6h h SER 22 CO -0.01 0.42 0.02 0.00 -0.53 0.00 0.00 176.83 176.73 2k6h h ALA 23 N 1.34 0.15 -0.17 6.23 0.00 -1.85 -0.08 119.26 124.88 2k6h h ALA 23 Ca 0.30 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.11 2k6h h ALA 23 Cb 0.13 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2k6h h ALA 23 CO -0.16 -0.20 -0.12 0.35 0.00 0.00 0.00 179.25 179.12 2k6h h PHE 24 N -0.04 -0.30 -0.47 0.00 3.57 -0.81 -0.79 116.94 118.10 2k6h h PHE 24 Ca 0.03 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.58 2k6h h PHE 24 Cb 0.28 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 2k6h h PHE 24 CO 0.01 -0.18 0.28 0.82 -2.23 0.00 0.00 178.31 177.01 2k6h h ILE 25 N -0.12 1.04 -0.52 1.41 1.08 -0.75 -2.75 117.51 116.90 2k6h h ILE 25 Ca 0.10 -0.19 0.06 0.00 -0.39 0.00 0.00 64.86 64.44 2k6h h ILE 25 Cb 0.28 0.44 -0.05 0.00 -3.07 0.00 0.00 36.82 34.41 2k6h h ILE 25 CO -0.25 0.10 0.22 0.00 -0.69 0.00 0.00 178.15 177.54 2k6h h ALA 26 N 1.21 0.65 -0.65 1.87 0.00 -0.27 0.12 119.26 122.20 2k6h h ALA 26 Ca 0.19 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.25 2k6h h ALA 26 Cb 0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 2k6h h ALA 26 CO -0.09 -0.15 0.24 0.77 0.00 0.00 0.00 179.25 180.01 2k6h h SER 27 N 0.43 0.22 -0.10 0.00 0.02 -0.87 0.71 113.55 113.96 2k6h h SER 27 Ca 0.24 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.26 2k6h h SER 27 Cb 0.21 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 2k6h h SER 27 CO -0.21 0.12 -0.03 0.58 -1.14 0.00 0.00 176.83 176.14 2k6h h VAL 28 N 0.41 1.30 -0.12 2.27 2.07 -1.30 -3.29 116.25 117.58 2k6h h VAL 28 Ca 0.34 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.90 2k6h h VAL 28 Cb 0.45 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 2k6h h VAL 28 CO -0.34 0.28 -0.11 -0.09 0.02 0.00 0.00 177.57 177.33 2k6h h ARG 29 N -0.14 -0.13 -0.88 1.57 2.43 0.32 -2.17 114.38 115.38 2k6h h ARG 29 Ca 0.02 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.29 2k6h h ARG 29 Cb 0.46 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.97 2k6h h ARG 29 CO 0.01 -0.09 0.53 0.87 -1.51 0.00 0.00 179.97 179.78 2k6h h LYS 30 N -0.14 0.88 0.41 0.20 1.79 -1.01 -1.28 116.57 117.42 2k6h h LYS 30 Ca 0.09 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 2k6h h LYS 30 Cb 0.26 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2k6h h LYS 30 CO -0.21 0.58 -0.20 0.22 -1.08 0.00 0.00 179.45 178.77 2k6h h ASP 31 N 0.91 -0.46 0.17 0.86 3.58 -1.54 -3.25 116.42 116.68 2k6h h ASP 31 Ca 0.41 -0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.72 2k6h h ASP 31 Cb 0.31 0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.47 2k6h h ASP 31 CO -0.22 -0.12 -0.12 1.62 -2.88 0.00 0.00 179.24 177.52 2k6h h VAL 32 N -0.84 0.93 -0.73 2.25 3.04 -0.96 -0.24 116.25 119.69 2k6h h VAL 32 Ca -0.06 -0.44 0.10 0.00 -1.01 0.00 0.00 66.70 65.30 2k6h h VAL 32 Cb 0.55 1.25 -0.05 0.00 -2.01 0.00 0.00 31.29 31.02 2k6h h VAL 32 CO 0.09 0.12 0.48 0.40 -1.01 0.00 0.00 177.57 177.65 2k6h h ILE 33 N 0.00 0.93 0.00 3.17 2.04 -1.28 -0.19 117.51 122.17 2k6h h ILE 33 Ca -0.00 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2k6h h ILE 33 Cb 0.24 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2k6h h ILE 33 CO 0.02 0.11 0.00 0.29 0.00 0.00 0.00 178.15 178.57 2k6h n LYS 34 N -4.49 0.12 0.00 2.37 5.02 -0.10 -3.62 118.16 117.45 2k6h n LYS 34 Ca 0.12 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 2k6h n LYS 34 Cb 0.35 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 2k6h n LYS 34 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2k6h n HIS 35 N -1.92 0.00 -2.23 2.13 8.25 -0.42 -5.06 115.22 115.98 2k6h n HIS 35 Ca 0.04 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.23 2k6h n HIS 35 Cb 0.26 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.49 2k6h n HIS 35 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k6h s THR 37 N -3.42 3.59 0.96 0.00 2.01 0.18 -4.88 115.64 114.08 2k6h s THR 37 Ca 0.66 0.79 -0.11 0.00 0.31 0.00 0.00 61.69 63.34 2k6h s THR 37 Cb -0.07 -3.30 0.17 0.00 0.01 0.00 0.00 72.50 69.31 2k6h s THR 37 CO 0.47 -0.41 1.12 1.51 -0.69 0.00 0.00 174.62 176.62 2k6h s ASP 38 N -2.57 2.55 -0.07 3.53 -4.77 -1.26 -3.77 116.67 110.31 2k6h s ASP 38 Ca 0.66 2.00 0.03 0.00 -3.30 0.00 0.00 52.55 51.94 2k6h s ASP 38 Cb -0.18 -2.50 0.01 0.00 -1.09 0.00 0.00 42.92 39.16 2k6h s ASP 38 CO 0.36 -3.30 -0.17 -1.38 0.70 0.00 0.00 175.17 171.38 2k6h s HIS 39 N -2.63 1.87 0.00 2.11 -3.43 -1.26 -4.64 115.29 107.31 2k6h s HIS 39 Ca 0.67 -0.70 0.00 0.00 -0.80 0.00 0.00 55.06 54.23 2k6h s HIS 39 Cb -0.23 -1.30 0.00 0.00 -1.43 0.00 0.00 32.58 29.62 2k6h s HIS 39 CO 0.59 -0.30 0.00 1.63 -2.00 0.00 0.00 174.74 174.66 2k6h n LYS 40 N 3.59 0.00 0.00 -0.38 4.01 -1.26 -4.70 118.16 119.42 2k6h n LYS 40 Ca -0.21 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 57.72 2k6h n LYS 40 Cb 0.52 -0.04 0.17 0.00 -0.51 0.00 0.00 35.03 35.17 2k6h n LYS 40 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2k6h n GLY 41 N 2.95 0.83 3.76 0.72 0.00 -1.26 -4.92 105.19 107.26 2k6h n GLY 41 Ca 0.00 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 2k6h n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k6h s ILE 42 N -2.01 3.44 -0.12 -0.61 1.01 -1.26 -4.40 121.20 117.25 2k6h s ILE 42 Ca 0.29 1.40 -0.20 0.00 0.00 0.00 0.00 60.65 62.15 2k6h s ILE 42 Cb 0.20 -3.87 -0.17 0.00 0.01 0.00 0.00 42.46 38.63 2k6h s ILE 42 CO 0.31 0.29 0.54 0.15 0.00 0.00 0.00 174.94 176.24 2k6h h PHE 43 N 3.58 -0.01 -4.11 3.97 3.04 -1.92 -3.46 116.94 118.03 2k6h h PHE 43 Ca -0.47 -0.00 -0.49 0.00 3.98 0.00 0.00 57.97 60.99 2k6h h PHE 43 Cb 1.21 0.00 0.06 0.00 2.56 0.00 0.00 35.95 39.79 2k6h h PHE 43 CO 0.58 0.65 0.40 1.14 -2.02 0.00 0.00 178.31 179.06 2k6h s GLN 44 N -2.10 3.41 0.86 1.11 0.00 -1.26 -5.03 119.66 116.64 2k6h s GLN 44 Ca -0.13 1.46 -0.10 0.00 -0.00 0.00 0.00 55.36 56.59 2k6h s GLN 44 Cb -0.02 -2.03 0.11 0.00 0.00 0.00 0.00 33.01 31.07 2k6h s GLN 44 CO 0.47 -0.77 1.13 -2.14 0.00 0.00 0.00 175.29 173.97 2k6h s PRO 45 N -3.48 1.52 -0.09 9.60 0.02 -1.26 -4.78 135.00 136.53 2k6h s PRO 45 Ca 0.69 1.41 0.02 0.00 0.02 0.00 0.00 61.00 63.14 2k6h s PRO 45 Cb -0.20 -1.80 0.01 0.00 0.02 0.00 0.00 34.50 32.53 2k6h s PRO 45 CO 0.28 -2.24 -0.16 0.08 -0.33 0.00 0.00 177.00 174.63 2k6h s VAL 46 N -2.74 1.49 0.77 3.83 1.01 -1.25 -1.13 120.40 122.38 2k6h s VAL 46 Ca 0.65 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.84 2k6h s VAL 46 Cb -0.21 -1.34 0.06 0.00 0.00 0.00 0.00 36.38 34.89 2k6h s VAL 46 CO 0.57 0.44 1.14 -0.76 0.00 0.00 0.00 175.10 176.48 2k6h s LEU 47 N 0.76 3.15 0.85 3.92 1.43 -0.45 -0.64 118.68 127.68 2k6h s LEU 47 Ca -0.12 2.09 -0.11 0.00 -1.03 0.00 0.00 54.13 54.96 2k6h s LEU 47 Cb -0.16 -4.56 0.11 0.00 0.03 0.00 0.00 46.19 41.61 2k6h s LEU 47 CO 0.02 -2.25 1.15 -2.84 0.23 0.00 0.00 176.35 172.66 2k6h s PRO 48 N -4.40 1.51 0.60 1.29 0.02 -1.26 -3.71 135.00 129.06 2k6h s PRO 48 Ca 0.67 1.50 -0.19 0.00 0.02 0.00 0.00 61.00 63.01 2k6h s PRO 48 Cb -0.22 -1.79 -0.03 0.00 0.02 0.00 0.00 34.50 32.48 2k6h s PRO 48 CO 0.50 -2.26 1.22 -1.25 -0.33 0.00 0.00 177.00 174.89 2k6h s PRO 49 N -4.57 2.93 0.11 5.54 0.04 -1.26 -4.51 135.00 133.29 2k6h s PRO 49 Ca 0.67 1.86 -0.31 0.00 0.04 0.00 0.00 61.00 63.26 2k6h s PRO 49 Cb -0.23 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.32 2k6h s PRO 49 CO 0.55 -1.24 1.27 -2.00 0.04 0.00 0.00 177.00 175.61 2k6h s GLU 50 N -3.32 4.41 0.09 4.56 2.12 -1.26 -4.94 118.70 120.35 2k6h s GLU 50 Ca 0.78 1.90 0.05 0.00 0.36 0.00 0.00 54.97 58.06 2k6h s GLU 50 Cb -0.31 -3.29 -0.03 0.00 0.26 0.00 0.00 34.13 30.76 2k6h s GLU 50 CO 0.34 -0.28 -0.13 0.21 -0.54 0.00 0.00 175.26 174.86 2k6h s LYS 51 N 0.76 0.87 0.00 4.30 2.47 -1.26 -5.06 119.74 121.82 2k6h s LYS 51 Ca 0.59 -1.07 0.27 0.00 -1.56 0.00 0.00 55.97 54.20 2k6h s LYS 51 Cb -0.33 -0.77 0.82 0.00 -1.46 0.00 0.00 37.83 36.09 2k6h s LYS 51 CO 0.31 0.15 1.62 1.63 0.16 0.00 0.00 175.35 179.23 2k6h n LYS 52 N 0.93 0.31 -3.29 4.03 5.02 -1.26 -4.39 118.16 119.50 2k6h n LYS 52 Ca -0.19 -0.15 -0.25 0.00 -2.02 0.00 0.00 58.31 55.71 2k6h n LYS 52 Cb 0.56 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.99 2k6h n LYS 52 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2k6h n VAL 53 N -1.22 -0.24 -1.46 -0.18 0.24 -1.26 -4.93 118.33 109.28 2k6h n VAL 53 Ca 0.09 -4.12 -0.30 0.00 -2.04 0.00 0.00 64.34 57.97 2k6h n VAL 53 Cb 0.33 -1.93 0.10 0.00 -1.47 0.00 0.00 33.84 30.86 2k6h n VAL 53 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2k6h s PRO 54 N -1.16 2.03 -0.17 7.34 0.04 -1.26 -5.02 135.00 136.80 2k6h s PRO 54 Ca 0.35 0.76 -0.24 0.00 0.04 0.00 0.00 61.00 61.91 2k6h s PRO 54 Cb 0.13 -1.90 -0.22 0.00 0.04 0.00 0.00 34.50 32.56 2k6h s PRO 54 CO -0.11 -1.69 0.49 1.49 0.04 0.00 0.00 177.00 177.22 2k6h h GLU 55 N -1.14 0.00 -4.34 4.56 4.57 -2.00 -3.49 114.58 112.73 2k6h h GLU 55 Ca -0.47 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.52 2k6h h GLU 55 Cb 1.26 0.00 -0.18 0.00 -0.16 0.00 0.00 28.75 29.67 2k6h h GLU 55 CO 0.57 0.93 -0.70 -0.48 -1.18 0.00 0.00 179.01 178.16 2k6h s LEU 56 N -8.09 2.38 0.19 1.64 0.05 -1.26 -4.95 118.68 108.64 2k6h s LEU 56 Ca -0.22 -0.77 -0.23 0.00 0.05 0.00 0.00 54.13 52.96 2k6h s LEU 56 Cb 0.01 0.03 0.07 0.00 -2.05 0.00 0.00 46.19 44.25 2k6h s LEU 56 CO 0.61 -0.40 0.97 -1.66 -0.55 0.00 0.00 176.35 175.32 2k6h s TRP 57 N -2.65 -0.02 -0.28 3.48 1.48 -1.26 -4.91 118.94 114.78 2k6h s TRP 57 Ca -0.02 -0.37 -0.21 0.00 -1.06 0.00 0.00 56.10 54.45 2k6h s TRP 57 Cb -0.01 0.69 -0.01 0.00 -1.16 0.00 0.00 33.47 32.97 2k6h s TRP 57 CO -0.04 -0.95 0.65 -0.51 -4.06 0.00 0.00 176.95 172.03 2k6h s LEU 58 N -3.15 4.10 -0.22 -4.66 2.01 -1.14 -4.79 118.68 110.82 2k6h s LEU 58 Ca 0.17 0.59 -0.12 0.00 0.01 0.00 0.00 54.13 54.78 2k6h s LEU 58 Cb -0.02 -2.86 -0.05 0.00 0.01 0.00 0.00 46.19 43.27 2k6h s LEU 58 CO 0.05 -0.44 0.22 -0.31 1.01 0.00 0.00 176.35 176.87 2k6h s TYR 59 N 2.59 3.34 -0.01 0.29 1.51 -1.25 -1.05 117.35 122.78 2k6h s TYR 59 Ca 0.26 0.34 0.06 0.00 -1.01 0.00 0.00 57.07 56.72 2k6h s TYR 59 Cb -0.15 -2.32 -0.02 0.00 -0.11 0.00 0.00 41.96 39.36 2k6h s TYR 59 CO 0.10 0.08 -0.18 0.99 -1.11 0.00 0.00 175.55 175.43 2k6h s THR 60 N 1.03 1.42 -0.13 -0.71 2.01 -0.61 -3.50 115.64 115.14 2k6h s THR 60 Ca 0.11 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.29 2k6h s THR 60 Cb -0.14 -1.19 0.03 0.00 0.01 0.00 0.00 72.50 71.22 2k6h s THR 60 CO 0.05 0.37 -0.03 -0.70 -0.69 0.00 0.00 174.62 173.61 2k6h s GLU 61 N -0.51 1.14 -0.22 4.92 2.12 -0.98 -0.35 118.70 124.82 2k6h s GLU 61 Ca 0.07 -0.24 -0.18 0.00 0.36 0.00 0.00 54.97 54.97 2k6h s GLU 61 Cb -0.07 -1.59 -0.03 0.00 0.26 0.00 0.00 34.13 32.70 2k6h s GLU 61 CO -0.00 -0.37 0.53 -0.51 -0.54 0.00 0.00 175.26 174.37 2k6h s LEU 62 N 1.78 4.12 0.09 2.70 2.01 -0.95 -1.64 118.68 126.79 2k6h s LEU 62 Ca 0.03 0.64 0.03 0.00 0.01 0.00 0.00 54.13 54.84 2k6h s LEU 62 Cb -0.14 -2.71 -0.04 0.00 0.01 0.00 0.00 46.19 43.32 2k6h s LEU 62 CO -0.07 -0.22 0.11 -0.75 1.01 0.00 0.00 176.35 176.43 2k6h s LYS 63 N 1.87 2.96 0.40 1.70 2.20 -0.18 -1.70 119.74 126.99 2k6h s LYS 63 Ca 0.23 -0.69 0.02 0.00 -0.36 0.00 0.00 55.97 55.18 2k6h s LYS 63 Cb -0.15 -2.76 -0.01 0.00 -1.51 0.00 0.00 37.83 33.40 2k6h s LYS 63 CO 0.09 0.56 0.08 0.25 -0.36 0.00 0.00 175.35 175.97 2k6h n THR 64 N 0.27 0.00 0.24 3.43 -2.24 0.42 -2.75 114.28 113.65 2k6h n THR 64 Ca -0.08 -2.15 0.11 0.00 -2.27 0.00 0.00 64.05 59.66 2k6h n THR 64 Cb 0.52 0.63 0.54 0.00 -2.10 0.00 0.00 70.33 69.93 2k6h n THR 64 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2k6h n ARG 65 N -0.96 0.15 0.00 -0.78 1.85 -1.26 -3.89 116.66 111.78 2k6h n ARG 65 Ca -0.11 0.56 0.00 0.00 -1.00 0.00 0.00 57.85 57.30 2k6h n ARG 65 Cb 0.56 -1.92 0.00 0.00 -1.05 0.00 0.00 32.46 30.05 2k6h n ARG 65 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2k6h n THR 66 N -2.23 0.00 -4.07 8.89 -2.24 -1.26 -5.14 114.28 108.23 2k6h n THR 66 Ca -0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 2k6h n THR 66 Cb 0.10 -0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 67.78 2k6h n THR 66 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2k6h n SER 67 N -1.74 -1.08 -3.84 3.42 7.64 -1.25 -5.16 113.62 111.61 2k6h n SER 67 Ca 0.00 -2.76 -0.09 0.00 1.01 0.00 0.00 58.87 57.02 2k6h n SER 67 Cb 0.32 2.09 -0.05 0.00 -1.01 0.00 0.00 64.21 65.56 2k6h n SER 67 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2k6h s SER 68 N -2.98 -0.13 -0.02 6.43 1.04 -1.26 -0.43 113.70 116.34 2k6h s SER 68 Ca 0.28 -0.66 0.01 0.00 0.48 0.00 0.00 55.95 56.07 2k6h s SER 68 Cb -0.00 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.65 2k6h s SER 68 CO 0.20 -0.99 -0.03 0.27 0.98 0.00 0.00 173.24 173.67 2k6h s ILE 69 N -3.92 0.34 -0.43 -1.02 -4.36 -0.69 -4.30 121.20 106.82 2k6h s ILE 69 Ca 0.13 -0.09 -0.17 0.00 -0.26 0.00 0.00 60.65 60.27 2k6h s ILE 69 Cb 0.01 -0.35 0.03 0.00 1.25 0.00 0.00 42.46 43.39 2k6h s ILE 69 CO -0.01 0.14 0.42 -0.89 0.24 0.00 0.00 174.94 174.84 2k6h s THR 70 N 0.49 5.13 -0.18 8.37 2.01 -1.18 -2.25 115.64 128.04 2k6h s THR 70 Ca -0.05 -0.52 -0.05 0.00 0.31 0.00 0.00 61.69 61.38 2k6h s THR 70 Cb -0.09 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 2k6h s THR 70 CO -0.01 -0.45 -0.01 -1.48 -0.69 0.00 0.00 174.62 171.98 2k6h s LEU 71 N 2.01 3.28 -0.25 4.42 2.34 0.53 -0.20 118.68 130.82 2k6h s LEU 71 Ca 0.10 -0.16 -0.09 0.00 0.06 0.00 0.00 54.13 54.05 2k6h s LEU 71 Cb -0.19 -1.81 -0.04 0.00 -0.56 0.00 0.00 46.19 43.59 2k6h s LEU 71 CO 0.12 0.11 0.11 0.00 -1.06 0.00 0.00 176.35 175.63 2k6h s ALA 72 N 0.70 3.30 -0.38 1.48 0.00 -0.95 -1.58 121.76 124.32 2k6h s ALA 72 Ca -0.01 -1.08 -0.13 0.00 0.00 0.00 0.00 51.96 50.74 2k6h s ALA 72 Cb -0.14 -2.20 0.02 0.00 0.00 0.00 0.00 23.12 20.80 2k6h s ALA 72 CO 0.02 -0.45 0.25 0.42 0.00 0.00 0.00 175.76 176.00 2k6h s ILE 73 N 1.56 4.93 -0.52 0.00 -1.09 -0.22 -2.07 121.20 123.79 2k6h s ILE 73 Ca 0.06 -0.71 -0.27 0.00 -2.23 0.00 0.00 60.65 57.51 2k6h s ILE 73 Cb -0.15 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 2k6h s ILE 73 CO 0.06 -0.24 2.10 -0.60 -1.23 0.00 0.00 174.94 175.03 2k6h s ARG 74 N 1.62 2.49 0.42 2.79 3.52 0.26 -2.88 118.95 127.17 2k6h s ARG 74 Ca 0.04 1.09 0.18 0.00 -0.13 0.00 0.00 55.73 56.90 2k6h s ARG 74 Cb -0.19 -4.45 1.09 0.00 -1.56 0.00 0.00 34.95 29.84 2k6h s ARG 74 CO 0.08 -2.86 1.84 0.00 -0.81 0.00 0.00 175.30 173.56 2k6h h MET 75 N 16.73 0.39 -0.25 5.12 -0.00 -1.91 -1.28 114.93 133.73 2k6h h MET 75 Ca -0.27 -0.02 0.07 0.00 -0.00 0.00 0.00 59.70 59.48 2k6h h MET 75 Cb 1.21 -0.09 -0.01 0.00 -0.00 0.00 0.00 31.60 32.71 2k6h h MET 75 CO 1.16 0.26 0.30 -0.44 -0.00 0.00 0.00 176.91 178.19 2k6h h ASP 76 N 0.40 0.00 0.00 -0.10 5.19 -1.88 -2.31 116.42 117.73 2k6h h ASP 76 Ca 0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.90 2k6h h ASP 76 Cb 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 2k6h h ASP 76 CO -0.19 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.52 2k6h n ASN 77 N -3.69 0.33 -4.02 6.45 5.03 -0.89 -4.48 115.26 113.99 2k6h n ASN 77 Ca 0.03 -1.13 -0.41 0.00 0.87 0.00 0.00 54.58 53.95 2k6h n ASN 77 Cb 0.43 0.00 0.02 0.00 -1.02 0.00 0.00 39.78 39.21 2k6h n ASN 77 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2k6h n LEU 78 N -0.06 -0.26 -4.13 3.41 4.77 -0.53 -4.99 117.00 115.20 2k6h n LEU 78 Ca 0.00 -1.15 -0.24 0.00 -0.03 0.00 0.00 56.01 54.59 2k6h n LEU 78 Cb 0.35 -1.42 -0.16 0.00 -2.33 0.00 0.00 43.42 39.87 2k6h n LEU 78 CO 0.00 0.71 -0.49 -0.47 -1.33 0.00 0.00 177.39 175.81 2k6h s TYR 79 N -3.59 1.51 -0.71 -1.77 5.04 -1.05 -4.84 117.35 111.95 2k6h s TYR 79 Ca 0.40 -0.35 -0.26 0.00 -2.44 0.00 0.00 57.07 54.42 2k6h s TYR 79 Cb -0.22 -1.00 0.04 0.00 0.35 0.00 0.00 41.96 41.13 2k6h s TYR 79 CO 0.87 -0.08 1.20 -1.17 -1.34 0.00 0.00 175.55 175.03 2k6h s LEU 80 N -0.19 3.45 0.12 6.97 0.20 -1.26 -0.58 118.68 127.39 2k6h s LEU 80 Ca 0.02 -0.54 -0.13 0.00 0.69 0.00 0.00 54.13 54.17 2k6h s LEU 80 Cb -0.08 -2.56 -0.06 0.00 -0.43 0.00 0.00 46.19 43.06 2k6h s LEU 80 CO 0.00 -1.73 1.46 -0.37 -0.29 0.00 0.00 176.35 175.43 2k6h h VAL 81 N 6.02 1.29 -2.11 1.68 -1.51 -1.80 -3.43 116.25 116.38 2k6h h VAL 81 Ca -0.28 -1.43 0.23 0.00 -1.23 0.00 0.00 66.70 63.99 2k6h h VAL 81 Cb 1.05 1.43 -0.08 0.00 -2.13 0.00 0.00 31.29 31.56 2k6h h VAL 81 CO 1.25 0.47 0.63 -0.83 -1.23 0.00 0.00 177.57 177.86 2k6h s GLY 82 N -3.68 -0.20 0.03 5.19 0.00 -1.26 -0.96 107.32 106.43 2k6h s GLY 82 Ca -0.12 0.18 0.04 0.00 0.00 0.00 0.00 44.72 44.83 2k6h s GLY 82 CO 0.84 0.87 -0.13 -0.11 0.00 0.00 0.00 173.10 174.57 2k6h s PHE 83 N -2.73 1.16 0.32 1.90 -0.71 -1.11 -2.25 117.98 114.57 2k6h s PHE 83 Ca 0.16 -0.33 -0.27 0.00 -1.04 0.00 0.00 56.93 55.45 2k6h s PHE 83 Cb 0.00 -0.70 -0.10 0.00 -1.21 0.00 0.00 43.02 41.02 2k6h s PHE 83 CO 0.01 0.02 0.97 0.50 -1.34 0.00 0.00 175.22 175.38 2k6h s ARG 84 N -1.01 4.56 0.23 1.99 3.52 0.72 -0.98 118.95 127.98 2k6h s ARG 84 Ca 0.01 1.42 0.07 0.00 -0.13 0.00 0.00 55.73 57.11 2k6h s ARG 84 Cb -0.07 -2.86 -0.04 0.00 -1.56 0.00 0.00 34.95 30.42 2k6h s ARG 84 CO 0.01 0.25 0.10 0.95 -0.81 0.00 0.00 175.30 175.80 2k6h s THR 85 N -1.53 4.07 -0.39 4.11 -4.23 -1.07 -3.08 115.64 113.52 2k6h s THR 85 Ca 0.50 -1.49 -0.27 0.00 -1.18 0.00 0.00 61.69 59.24 2k6h s THR 85 Cb -0.21 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.44 2k6h s THR 85 CO 0.27 -0.28 2.04 -2.16 -0.54 0.00 0.00 174.62 173.95 2k6h s PRO 86 N -3.53 2.88 0.00 3.99 0.04 -1.26 -3.24 135.00 133.88 2k6h s PRO 86 Ca 0.31 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.76 2k6h s PRO 86 Cb -0.08 -4.36 0.00 0.00 0.04 0.00 0.00 34.50 30.10 2k6h s PRO 86 CO 0.22 -2.40 0.00 0.41 0.04 0.00 0.00 177.00 175.27 2k6h n GLY 87 N 5.69 0.06 0.00 0.56 0.00 -1.26 -5.00 105.19 105.23 2k6h n GLY 87 Ca 0.27 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.51 2k6h n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6h n GLY 88 N 0.00 -0.01 3.08 -0.02 0.00 -1.20 -5.17 105.19 101.87 2k6h n GLY 88 Ca 0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 2k6h n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k6h s VAL 89 N 0.00 0.12 -0.03 1.61 0.11 -1.26 -5.07 120.40 115.89 2k6h s VAL 89 Ca 0.00 -1.02 0.06 0.00 -2.93 0.00 0.00 61.98 58.09 2k6h s VAL 89 Cb 0.00 -0.69 -0.01 0.00 -1.53 0.00 0.00 36.38 34.15 2k6h s VAL 89 CO 0.00 -0.56 -0.20 0.26 -3.33 0.00 0.00 175.10 171.27 2k6h s TRP 90 N -2.17 1.87 -0.66 1.54 0.51 -1.26 -2.61 118.94 116.16 2k6h s TRP 90 Ca -0.09 -0.42 -0.14 0.00 -2.12 0.00 0.00 56.10 53.33 2k6h s TRP 90 Cb -0.04 -1.22 0.17 0.00 -0.81 0.00 0.00 33.47 31.57 2k6h s TRP 90 CO -0.03 -0.08 0.60 -1.58 -0.51 0.00 0.00 176.95 175.34 2k6h s TRP 91 N -0.32 3.50 0.34 -1.98 0.52 -0.15 -1.72 118.94 119.11 2k6h s TRP 91 Ca 0.04 -1.72 -0.27 0.00 0.02 0.00 0.00 56.10 54.17 2k6h s TRP 91 Cb -0.09 -3.75 -0.09 0.00 -1.15 0.00 0.00 33.47 28.39 2k6h s TRP 91 CO 0.00 -1.00 1.07 -2.00 0.02 0.00 0.00 176.95 175.04 2k6h s GLU 92 N 0.87 4.42 0.85 4.98 2.12 0.07 -2.74 118.70 129.27 2k6h s GLU 92 Ca 0.10 1.65 -0.12 0.00 0.36 0.00 0.00 54.97 56.96 2k6h s GLU 92 Cb -0.21 -2.88 0.13 0.00 0.26 0.00 0.00 34.13 31.43 2k6h s GLU 92 CO -0.03 0.06 1.21 -0.06 -0.54 0.00 0.00 175.26 175.90 2k6h s PHE 93 N -1.40 2.35 0.00 5.30 0.08 -0.14 -2.02 117.98 122.15 2k6h s PHE 93 Ca 0.51 0.49 0.00 0.00 0.12 0.00 0.00 56.93 58.05 2k6h s PHE 93 Cb -0.27 -3.69 0.00 0.00 -0.57 0.00 0.00 43.02 38.50 2k6h s PHE 93 CO 0.34 -2.08 0.00 0.41 -0.10 0.00 0.00 175.22 173.79 2k6h n GLY 94 N -3.43 -0.31 3.19 4.36 0.00 -0.83 -4.83 105.19 103.34 2k6h n GLY 94 Ca 0.11 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 2k6h n GLY 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k6h s LYS 95 N 0.00 0.63 0.31 1.61 2.20 -1.26 -3.19 119.74 120.04 2k6h s LYS 95 Ca 0.00 -0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 2k6h s LYS 95 Cb 0.00 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.59 2k6h s LYS 95 CO 0.00 -0.17 0.00 -3.47 -0.36 0.00 0.00 175.35 171.35 2k6h n ASP 96 N 1.16 -7.41 -1.31 1.43 2.03 -1.26 -5.00 116.55 106.19 2k6h n ASP 96 Ca -0.21 0.99 0.00 0.00 0.52 0.00 0.00 54.79 56.09 2k6h n ASP 96 Cb 0.57 -3.49 0.00 0.00 -0.72 0.00 0.00 41.12 37.48 2k6h n ASP 96 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k6h n GLY 97 N 0.02 0.51 3.69 0.27 0.00 -1.26 -5.02 105.19 103.40 2k6h n GLY 97 Ca 0.00 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 2k6h n GLY 97 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k6h s ASP 98 N -2.54 6.52 -0.06 1.61 -4.77 -1.26 -5.01 116.67 111.16 2k6h s ASP 98 Ca 0.00 2.63 -0.15 0.00 -3.30 0.00 0.00 52.55 51.72 2k6h s ASP 98 Cb 0.00 -2.57 -0.05 0.00 -1.09 0.00 0.00 42.92 39.21 2k6h s ASP 98 CO 0.00 -0.93 0.40 0.42 0.70 0.00 0.00 175.17 175.76 2k6h s THR 99 N 2.43 5.13 -2.00 2.11 -4.23 -1.26 -4.98 115.64 112.84 2k6h s THR 99 Ca 0.76 0.80 0.02 0.00 -1.18 0.00 0.00 61.69 62.09 2k6h s THR 99 Cb -0.43 -3.72 0.06 0.00 1.34 0.00 0.00 72.50 69.76 2k6h s THR 99 CO 0.34 0.48 0.97 1.41 -0.54 0.00 0.00 174.62 177.28 2k6h n HIS 100 N 2.62 0.00 -0.34 3.99 8.25 -1.26 -3.71 115.22 124.76 2k6h n HIS 100 Ca -0.12 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.43 2k6h n HIS 100 Cb 0.52 0.00 0.27 0.00 1.12 0.00 0.00 29.99 31.90 2k6h n HIS 100 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2k6h h LEU 101 N 0.00 0.79 0.00 2.41 -0.00 -1.91 -0.37 115.31 116.24 2k6h h LEU 101 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 2k6h h LEU 101 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.59 2k6h h LEU 101 CO 0.00 0.35 0.00 0.18 -0.00 0.00 0.00 178.44 178.97 2k6h n LEU 102 N -4.73 0.00 0.00 1.67 7.99 -1.24 -4.60 117.00 116.08 2k6h n LEU 102 Ca 0.20 0.13 0.00 0.00 -0.01 0.00 0.00 56.01 56.34 2k6h n LEU 102 Cb 0.46 -0.13 0.00 0.00 -0.11 0.00 0.00 43.42 43.64 2k6h n LEU 102 CO 0.24 -0.07 0.00 0.61 -1.51 0.00 0.00 177.39 176.65 2k6h n GLY 103 N -0.11 1.01 3.72 -0.72 0.00 -0.15 -4.92 105.19 104.03 2k6h n GLY 103 Ca 0.09 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 2k6h n GLY 103 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k6h s ASP 104 N -4.00 3.67 -0.10 1.61 1.01 -1.26 -4.77 116.67 112.84 2k6h s ASP 104 Ca 0.00 1.98 -0.31 0.00 0.71 0.00 0.00 52.55 54.93 2k6h s ASP 104 Cb 0.00 -2.53 -0.09 0.00 1.01 0.00 0.00 42.92 41.31 2k6h s ASP 104 CO 0.00 -2.59 2.03 -0.46 0.21 0.00 0.00 175.17 174.36 2k6h n ASN 105 N -3.89 3.58 -3.82 0.27 0.23 -1.26 -4.85 115.26 105.51 2k6h n ASN 105 Ca 0.10 0.70 -0.29 0.00 -0.53 0.00 0.00 54.58 54.56 2k6h n ASN 105 Cb 0.53 -1.47 0.21 0.00 -2.08 0.00 0.00 39.78 36.97 2k6h n ASN 105 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 2k6h n PRO 106 N 7.68 -1.60 -4.13 -0.53 -0.04 -1.26 -4.72 135.00 130.40 2k6h n PRO 106 Ca 0.25 -1.98 -0.12 0.00 -0.04 0.00 0.00 63.50 61.60 2k6h n PRO 106 Cb 0.37 -1.40 -0.11 0.00 -0.04 0.00 0.00 33.50 32.33 2k6h n PRO 106 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2k6h s ARG 107 N -5.81 0.73 0.73 0.54 1.70 -0.70 -4.98 118.95 111.16 2k6h s ARG 107 Ca 0.74 -1.10 -0.11 0.00 -0.47 0.00 0.00 55.73 54.79 2k6h s ARG 107 Cb -0.03 -0.30 0.04 0.00 -0.57 0.00 0.00 34.95 34.09 2k6h s ARG 107 CO 0.53 0.02 1.10 -1.58 -1.08 0.00 0.00 175.30 174.29 2k6h s TRP 108 N -2.62 3.18 -2.32 5.89 0.51 -1.26 -0.75 118.94 121.56 2k6h s TRP 108 Ca 0.03 0.89 0.22 0.00 -2.12 0.00 0.00 56.10 55.12 2k6h s TRP 108 Cb -0.02 -3.19 0.06 0.00 -0.81 0.00 0.00 33.47 29.52 2k6h s TRP 108 CO -0.02 -1.35 1.13 1.28 -0.51 0.00 0.00 176.95 177.47 2k6h n LEU 109 N -3.07 2.34 0.00 2.99 4.77 -0.86 -4.80 117.00 118.37 2k6h n LEU 109 Ca 0.07 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 2k6h n LEU 109 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2k6h n LEU 109 CO 0.57 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 2k6h n GLY 110 N 1.37 2.14 3.75 -0.72 0.00 -1.19 -4.81 105.19 105.73 2k6h n GLY 110 Ca 0.11 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 2k6h n GLY 110 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k6h s PHE 111 N 0.00 3.70 0.00 1.61 0.08 -1.26 -4.20 117.98 117.91 2k6h s PHE 111 Ca 0.00 1.31 0.00 0.00 0.12 0.00 0.00 56.93 58.36 2k6h s PHE 111 Cb 0.00 -2.70 0.00 0.00 -0.57 0.00 0.00 43.02 39.75 2k6h s PHE 111 CO 0.00 0.31 0.00 0.41 -0.10 0.00 0.00 175.22 175.84 2k6h n GLY 112 N 2.45 -1.68 1.09 4.36 0.00 -1.26 -4.70 105.19 105.46 2k6h n GLY 112 Ca -0.05 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.77 2k6h n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6h n GLY 113 N 0.00 -0.86 3.27 -0.02 0.00 -1.26 -1.96 105.19 104.36 2k6h n GLY 113 Ca 0.00 0.20 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 2k6h n GLY 113 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k6h s ARG 114 N -0.55 1.52 0.56 1.61 3.03 -1.26 -5.05 118.95 118.81 2k6h s ARG 114 Ca 0.00 -1.86 0.26 0.00 2.03 0.00 0.00 55.73 56.16 2k6h s ARG 114 Cb 0.00 0.19 1.49 0.00 -1.03 0.00 0.00 34.95 35.60 2k6h s ARG 114 CO 0.00 -0.51 2.05 0.10 -1.13 0.00 0.00 175.30 175.81 2k6h h TYR 115 N 2.32 0.00 0.00 5.89 -0.00 -1.92 0.02 116.97 123.29 2k6h h TYR 115 Ca -0.31 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.42 2k6h h TYR 115 Cb 1.24 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.97 2k6h h TYR 115 CO 1.06 0.00 -0.01 1.96 -0.00 0.00 0.00 178.16 181.17 2k6h h GLN 116 N 0.00 0.00 0.00 0.10 4.20 -1.83 -1.06 115.11 116.52 2k6h h GLN 116 Ca 0.15 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 2k6h h GLN 116 Cb 0.70 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 2k6h h GLN 116 CO -0.00 0.01 -0.27 -0.44 -0.67 0.00 0.00 178.83 177.46 2k6h h ASP 117 N 0.00 0.00 0.11 1.46 3.32 -1.31 -2.98 116.42 117.02 2k6h h ASP 117 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2k6h h ASP 117 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2k6h h ASP 117 CO 0.00 0.27 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.67 2k6h h LEU 118 N 0.00 -0.12 0.00 1.55 3.38 -1.31 -3.47 115.31 115.35 2k6h h LEU 118 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k6h h LEU 118 Cb 0.77 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2k6h h LEU 118 CO 0.03 0.04 -0.04 2.30 0.09 0.00 0.00 178.44 180.86 2k6h n ILE 119 N -3.09 0.00 0.00 1.22 -0.00 -1.11 -5.04 119.36 111.33 2k6h n ILE 119 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.73 2k6h n ILE 119 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.70 2k6h n ILE 119 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2k6h n GLY 120 N 0.24 1.49 0.17 3.28 0.00 -1.12 -4.82 105.19 104.43 2k6h n GLY 120 Ca 0.00 -0.88 0.05 0.00 0.00 0.00 0.00 46.02 45.19 2k6h n GLY 120 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2k6h h ASN 121 N 0.00 0.00 -4.06 1.61 2.35 -1.90 -3.32 115.58 110.26 2k6h h ASN 121 Ca 0.00 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.27 2k6h h ASN 121 Cb 0.00 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.38 2k6h h ASN 121 CO 0.00 0.38 0.31 -0.54 -1.65 0.00 0.00 177.43 175.93 2k6h s LYS 122 N -3.18 3.92 0.30 0.81 3.01 -1.26 -5.07 119.74 118.27 2k6h s LYS 122 Ca 0.03 0.84 0.01 0.00 -1.01 0.00 0.00 55.97 55.84 2k6h s LYS 122 Cb 0.08 -2.21 0.01 0.00 -1.01 0.00 0.00 37.83 34.70 2k6h s LYS 122 CO 0.71 -0.19 0.07 0.41 0.51 0.00 0.00 175.35 176.85 2k6h n GLY 123 N -1.44 3.56 0.00 -3.33 0.00 -1.26 -4.67 105.19 98.04 2k6h n GLY 123 Ca 0.05 -2.29 0.03 0.00 0.00 0.00 0.00 46.02 43.82 2k6h n GLY 123 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2k6h n LEU 124 N 0.00 0.00 0.30 0.99 -0.00 -1.26 -4.04 117.00 112.99 2k6h n LEU 124 Ca -0.09 0.37 0.18 0.00 -0.00 0.00 0.00 56.01 56.47 2k6h n LEU 124 Cb 0.37 -0.37 0.96 0.00 -0.00 0.00 0.00 43.42 44.38 2k6h n LEU 124 CO 0.20 -0.29 1.09 1.05 -0.00 0.00 0.00 177.39 179.44 2k6h h GLU 125 N 0.00 0.00 0.00 1.47 4.11 -1.92 -1.45 114.58 116.80 2k6h h GLU 125 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2k6h h GLU 125 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2k6h h GLU 125 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 179.01 180.87 2k6h h THR 126 N 0.00 0.00 -3.31 -1.06 1.35 -1.86 -3.39 112.91 104.64 2k6h h THR 126 Ca 0.00 -0.35 -0.56 0.00 -0.55 0.00 0.00 66.41 64.95 2k6h h THR 126 Cb 0.21 1.19 -0.04 0.00 -1.73 0.00 0.00 68.15 67.78 2k6h h THR 126 CO 0.00 0.00 -0.10 0.68 -0.25 0.00 0.00 175.52 175.85 2k6h s VAL 127 N -3.31 4.88 -0.33 6.82 -7.23 -0.55 -5.06 120.40 115.62 2k6h s VAL 127 Ca 0.05 0.79 -0.09 0.00 -1.81 0.00 0.00 61.98 60.92 2k6h s VAL 127 Cb 0.10 -3.73 0.01 0.00 0.56 0.00 0.00 36.38 33.32 2k6h s VAL 127 CO 0.47 0.24 0.15 -0.89 -0.31 0.00 0.00 175.10 174.76 2k6h s THR 128 N -1.46 4.36 -0.26 5.32 2.01 -1.26 -4.61 115.64 119.73 2k6h s THR 128 Ca 0.37 -0.70 -0.29 0.00 0.31 0.00 0.00 61.69 61.39 2k6h s THR 128 Cb -0.15 -3.32 -0.01 0.00 0.01 0.00 0.00 72.50 69.02 2k6h s THR 128 CO 0.19 -0.05 1.51 -0.04 -0.69 0.00 0.00 174.62 175.54 2k6h s MET 129 N 1.55 3.80 0.03 4.92 -1.94 -0.01 -4.70 119.30 122.95 2k6h s MET 129 Ca 0.03 1.47 -0.28 0.00 -1.71 0.00 0.00 55.69 55.19 2k6h s MET 129 Cb -0.18 -3.99 0.09 0.00 2.01 0.00 0.00 34.83 32.76 2k6h s MET 129 CO 0.05 -1.28 1.03 0.20 -0.01 0.00 0.00 175.02 175.01 2k6h s GLY 130 N 3.82 -0.34 0.43 -0.03 0.00 -1.26 -1.50 107.32 108.44 2k6h s GLY 130 Ca 0.66 0.67 0.09 0.00 0.00 0.00 0.00 44.72 46.15 2k6h s GLY 130 CO 0.28 0.19 2.05 0.07 0.00 0.00 0.00 173.10 175.69 2k6h h ARG 131 N 2.00 0.46 -0.32 2.90 -0.00 -1.71 -1.15 114.38 116.56 2k6h h ARG 131 Ca -0.23 -0.03 -0.08 0.00 -0.00 0.00 0.00 59.98 59.64 2k6h h ARG 131 Cb 1.22 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.97 31.07 2k6h h ARG 131 CO 0.27 0.30 -0.14 0.00 -0.00 0.00 0.00 179.97 180.40 2k6h h ALA 132 N 1.76 1.17 -0.07 0.08 0.00 -1.88 -2.07 119.26 118.24 2k6h h ALA 132 Ca 0.16 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k6h h ALA 132 Cb 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2k6h h ALA 132 CO -0.04 0.53 0.04 1.49 0.00 0.00 0.00 179.25 181.27 2k6h h GLU 133 N 0.51 0.11 -0.36 0.00 4.57 -1.49 0.01 114.58 117.92 2k6h h GLU 133 Ca 0.09 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.17 2k6h h GLU 133 Cb 0.54 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 2k6h h GLU 133 CO 0.03 0.19 -0.08 1.98 -1.18 0.00 0.00 179.01 179.95 2k6h h MET 134 N -0.01 0.69 0.17 1.92 4.05 -1.52 -1.78 114.93 118.47 2k6h h MET 134 Ca 0.03 -0.26 0.01 0.00 -0.28 0.00 0.00 59.70 59.19 2k6h h MET 134 Cb 0.12 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.85 2k6h h MET 134 CO -0.00 0.85 -0.26 1.15 0.23 0.00 0.00 176.91 178.87 2k6h h THR 135 N 0.49 0.43 -0.48 -0.77 2.02 -1.11 0.42 112.91 113.91 2k6h h THR 135 Ca 0.09 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 2k6h h THR 135 Cb 0.59 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 2k6h h THR 135 CO 0.03 0.00 0.26 0.08 0.37 0.00 0.00 175.52 176.27 2k6h h ARG 136 N -0.50 0.68 -0.19 6.66 0.11 -1.00 -1.28 114.38 118.86 2k6h h ARG 136 Ca 0.02 -0.08 -0.01 0.00 0.10 0.00 0.00 59.98 60.00 2k6h h ARG 136 Cb 0.50 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 31.44 2k6h h ARG 136 CO -0.11 0.54 0.08 0.00 0.10 0.00 0.00 179.97 180.57 2k6h h ALA 137 N 1.10 0.24 -0.12 0.08 0.00 -1.09 -0.27 119.26 119.20 2k6h h ALA 137 Ca 0.17 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2k6h h ALA 137 Cb 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2k6h h ALA 137 CO -0.03 -0.17 0.03 0.28 0.00 0.00 0.00 179.25 179.36 2k6h h VAL 138 N 0.15 0.96 -0.21 0.00 2.07 -0.77 -0.01 116.25 118.44 2k6h h VAL 138 Ca 0.06 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.56 2k6h h VAL 138 Cb 0.17 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2k6h h VAL 138 CO -0.01 0.02 0.12 0.78 0.02 0.00 0.00 177.57 178.50 2k6h h ASN 139 N 0.08 0.19 0.04 0.57 2.35 -1.05 0.38 115.58 118.15 2k6h h ASN 139 Ca 0.05 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.68 2k6h h ASN 139 Cb 0.04 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2k6h h ASN 139 CO -0.06 0.14 -0.42 -0.78 -1.65 0.00 0.00 177.43 174.66 2k6h h ASP 140 N 0.25 0.50 -0.06 5.81 3.58 -0.86 -2.21 116.42 123.42 2k6h h ASP 140 Ca 0.08 -0.23 -0.16 0.00 0.42 0.00 0.00 57.03 57.15 2k6h h ASP 140 Cb -0.00 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 2k6h h ASP 140 CO -0.04 0.86 -0.50 -0.07 -2.88 0.00 0.00 179.24 176.62 2k6h h LEU 141 N 0.39 0.69 -0.77 2.28 3.38 -0.82 -3.20 115.31 117.25 2k6h h LEU 141 Ca 0.03 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 2k6h h LEU 141 Cb 0.90 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2k6h h LEU 141 CO 0.08 1.07 0.17 0.00 0.09 0.00 0.00 178.44 179.85 2k6h h ALA 142 N 0.95 1.00 0.00 1.53 0.00 -0.52 -3.18 119.26 119.04 2k6h h ALA 142 Ca 0.02 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 2k6h h ALA 142 Cb 1.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2k6h h ALA 142 CO 0.10 0.65 -0.42 1.57 0.00 0.00 0.00 179.25 181.15 2k6h h LYS 143 N 1.04 0.00 -6.68 0.00 2.10 -1.43 -3.39 116.57 108.21 2k6h h LYS 143 Ca 0.22 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.35 2k6h h LYS 143 Cb 0.36 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.71 2k6h h LYS 143 CO 0.00 0.42 0.61 -1.59 -2.00 0.00 0.00 179.45 176.89 2k6h s LYS 144 N -3.24 4.44 -0.03 0.07 -2.85 -1.21 -4.91 119.74 112.00 2k6h s LYS 144 Ca 0.02 1.98 0.05 0.00 -1.00 0.00 0.00 55.97 57.02 2k6h s LYS 144 Cb 0.09 -3.21 0.08 0.00 -2.06 0.00 0.00 37.83 32.73 2k6h s LYS 144 CO 0.71 -0.17 0.94 1.63 0.10 0.00 0.00 175.35 178.56 2k6h n LYS 145 N 2.46 0.77 -4.48 1.78 5.02 -1.26 -4.98 118.16 117.45 2k6h n LYS 145 Ca 0.05 -1.39 -0.27 0.00 -2.02 0.00 0.00 58.31 54.68 2k6h n LYS 145 Cb 0.44 -0.84 -0.13 0.00 -0.02 0.00 0.00 35.03 34.47 2k6h n LYS 145 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2k6h s LYS 146 N -0.91 1.38 0.00 1.97 2.47 -1.26 -5.04 119.74 118.35 2k6h s LYS 146 Ca 0.09 -1.19 0.00 0.00 -1.56 0.00 0.00 55.97 53.30 2k6h s LYS 146 Cb 0.07 -1.70 0.00 0.00 -1.46 0.00 0.00 37.83 34.74 2k6h s LYS 146 CO 0.01 0.41 1.73 0.00 0.16 0.00 0.00 175.35 177.66 2k6h n MET 147 N 1.25 0.92 -3.92 4.03 0.00 -1.26 -4.81 117.12 113.33 2k6h n MET 147 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.43 2k6h n MET 147 Cb 0.53 -1.04 -0.09 0.00 0.00 0.00 0.00 33.22 32.62 2k6h n MET 147 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 2k6h s LEU 148 N 0.00 1.75 -0.38 3.17 2.96 -1.26 -5.07 118.68 119.85 2k6h s LEU 148 Ca 0.00 -0.62 0.07 0.00 -0.22 0.00 0.00 54.13 53.36 2k6h s LEU 148 Cb 0.00 0.70 0.18 0.00 0.50 0.00 0.00 46.19 47.57 2k6h s LEU 148 CO 0.00 -0.59 0.59 -1.83 -1.32 0.00 0.00 176.35 173.20 2k6h s GLU 149 N -3.16 0.75 0.00 1.98 -1.05 -1.26 -5.01 118.70 110.95 2k6h s GLU 149 Ca -0.00 -0.20 0.00 0.00 -0.15 0.00 0.00 54.97 54.62 2k6h s GLU 149 Cb 0.02 0.01 0.00 0.00 -0.44 0.00 0.00 34.13 33.72 2k6h s GLU 149 CO -0.07 -1.16 0.63 -2.30 0.95 0.00 0.00 175.26 173.31 2k6h n PRO 150 N 4.58 0.00 0.00 -4.83 -0.02 -1.26 -4.45 135.00 129.02 2k6h n PRO 150 Ca 0.10 0.45 0.08 0.00 -2.02 0.00 0.00 63.50 62.11 2k6h n PRO 150 Cb 0.55 -1.28 -0.03 0.00 -0.02 0.00 0.00 33.50 32.71 2k6h n PRO 150 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2k6h n GLN 151 N -1.84 1.55 0.22 -0.52 3.00 -1.26 -4.56 117.38 113.97 2k6h n GLN 151 Ca 0.00 -0.56 0.08 0.00 -0.01 0.00 0.00 57.00 56.51 2k6h n GLN 151 Cb 0.00 -1.31 0.51 0.00 0.00 0.00 0.00 30.24 29.44 2k6h n GLN 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2k6h h ALA 152 N 2.80 1.26 -4.95 -1.58 0.00 -1.96 -3.46 119.26 111.36 2k6h h ALA 152 Ca 0.00 -0.23 -0.31 0.00 0.00 0.00 0.00 54.91 54.37 2k6h h ALA 152 Cb 0.52 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 2k6h h ALA 152 CO 0.00 0.32 -0.44 -3.47 0.00 0.00 0.00 179.25 175.66 2k6h n ASP 153 N -3.77 -3.48 0.24 0.00 2.03 -1.26 -4.84 116.55 105.47 2k6h n ASP 153 Ca -0.01 -0.15 0.16 0.00 0.52 0.00 0.00 54.79 55.31 2k6h n ASP 153 Cb 0.35 -2.93 0.62 0.00 -0.72 0.00 0.00 41.12 38.45 2k6h n ASP 153 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2k6h h THR 154 N -0.59 0.00 -0.22 5.18 1.35 -1.90 -2.28 112.91 114.46 2k6h h THR 154 Ca -0.35 -0.47 0.06 0.00 -0.55 0.00 0.00 66.41 65.09 2k6h h THR 154 Cb 1.24 1.42 -0.07 0.00 -1.73 0.00 0.00 68.15 69.01 2k6h h THR 154 CO 0.43 0.00 -0.26 0.11 -0.25 0.00 0.00 175.52 175.55 2k6h h LYS 155 N 0.00 -0.27 -0.48 4.72 6.56 -1.97 0.37 116.57 125.49 2k6h h LYS 155 Ca 0.00 0.02 -0.06 0.00 -1.06 0.00 0.00 60.65 59.55 2k6h h LYS 155 Cb 0.51 0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.21 2k6h h LYS 155 CO 0.00 -0.18 0.07 0.77 -2.06 0.00 0.00 179.45 178.05 2k6h h SER 156 N -0.28 0.78 0.69 0.86 0.02 -1.80 -1.67 113.55 112.13 2k6h h SER 156 Ca 0.13 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 2k6h h SER 156 Cb 0.48 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 2k6h h SER 156 CO -0.38 0.84 -0.13 0.11 -1.14 0.00 0.00 176.83 176.13 2k6h h LYS 157 N 0.68 0.00 0.02 3.45 1.57 -1.38 -1.72 116.57 119.19 2k6h h LYS 157 Ca 0.15 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.67 2k6h h LYS 157 Cb 0.40 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 2k6h h LYS 157 CO 0.01 0.13 -1.36 1.37 -0.57 0.00 0.00 179.45 179.03 2k6h h LEU 158 N 0.00 0.05 -0.61 2.94 8.10 -0.79 -3.34 115.31 121.65 2k6h h LEU 158 Ca -0.00 -0.07 -0.04 0.00 0.11 0.00 0.00 57.88 57.88 2k6h h LEU 158 Cb 0.51 -0.02 -0.03 0.00 -0.44 0.00 0.00 40.66 40.69 2k6h h LEU 158 CO 0.02 1.06 0.23 0.58 -4.11 0.00 0.00 178.44 176.22 2k6h h VAL 159 N 0.01 1.23 -0.98 0.15 2.07 -0.42 -0.69 116.25 117.63 2k6h h VAL 159 Ca -0.15 -0.75 0.12 0.00 0.82 0.00 0.00 66.70 66.74 2k6h h VAL 159 Cb 1.90 0.57 -0.08 0.00 -1.52 0.00 0.00 31.29 32.16 2k6h h VAL 159 CO 0.11 0.29 0.62 0.07 0.02 0.00 0.00 177.57 178.68 2k6h h LYS 160 N 0.86 0.91 0.12 1.57 2.10 -1.58 -1.54 116.57 119.00 2k6h h LYS 160 Ca 0.20 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.79 2k6h h LYS 160 Cb 0.22 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 2k6h h LYS 160 CO -0.01 0.60 -0.06 -0.07 -2.00 0.00 0.00 179.45 177.91 2k6h h LEU 161 N 0.93 -0.13 -1.33 7.07 3.38 -1.42 -1.49 115.31 122.32 2k6h h LEU 161 Ca 0.48 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 2k6h h LEU 161 Cb 0.53 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2k6h h LEU 161 CO -0.25 0.23 0.16 1.62 0.09 0.00 0.00 178.44 180.29 2k6h h VAL 162 N -0.51 1.17 0.13 1.22 3.04 -0.71 0.38 116.25 120.98 2k6h h VAL 162 Ca -0.02 -0.54 -0.01 0.00 -1.01 0.00 0.00 66.70 65.13 2k6h h VAL 162 Cb 0.41 0.66 0.00 0.00 -2.01 0.00 0.00 31.29 30.35 2k6h h VAL 162 CO 0.03 0.21 -0.06 0.58 -1.01 0.00 0.00 177.57 177.31 2k6h h VAL 163 N 0.62 1.03 -0.69 1.51 2.07 -1.31 0.98 116.25 120.45 2k6h h VAL 163 Ca 0.15 -0.80 0.07 0.00 0.82 0.00 0.00 66.70 66.94 2k6h h VAL 163 Cb 0.14 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 2k6h h VAL 163 CO -0.01 0.19 0.37 -0.03 0.02 0.00 0.00 177.57 178.10 2k6h h MET 164 N -0.57 0.64 0.00 1.57 -1.53 -0.58 -0.04 114.93 114.42 2k6h h MET 164 Ca -0.02 -0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.20 2k6h h MET 164 Cb 0.44 -0.15 0.00 0.00 -0.55 0.00 0.00 31.60 31.35 2k6h h MET 164 CO 0.03 0.43 -0.05 0.28 0.14 0.00 0.00 176.91 177.73 2k6h n VAL 165 N -4.81 0.14 -0.03 -5.77 0.31 0.06 -3.97 118.33 104.26 2k6h n VAL 165 Ca 0.10 0.47 -0.14 0.00 -0.01 0.00 0.00 64.34 64.76 2k6h n VAL 165 Cb 0.22 -1.58 -0.10 0.00 -0.91 0.00 0.00 33.84 31.46 2k6h n VAL 165 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k6h h GLU 167 N -0.47 0.00 -0.83 0.00 5.08 -0.79 -1.44 114.58 116.13 2k6h h GLU 167 Ca -0.00 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2k6h h GLU 167 Cb 0.69 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 2k6h h GLU 167 CO 0.02 0.47 0.55 0.78 -1.00 0.00 0.00 179.01 179.83 2k6h h GLY 168 N 2.08 1.18 2.00 -3.84 0.00 -0.88 0.18 103.07 103.79 2k6h h GLY 168 Ca -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 2k6h h GLY 168 CO 0.06 0.31 -0.06 -2.00 0.00 0.00 0.00 176.54 174.85 2k6h h LEU 169 N 0.97 0.00 0.05 3.11 5.85 0.11 -2.34 115.31 123.06 2k6h h LEU 169 Ca 0.35 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.76 2k6h h LEU 169 Cb 0.13 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 2k6h h LEU 169 CO -0.11 0.06 -1.74 0.03 -0.34 0.00 0.00 178.44 176.33 2k6h h ARG 170 N 0.00 0.10 -4.77 1.25 3.08 -0.87 -3.43 114.38 109.75 2k6h h ARG 170 Ca -0.00 -0.17 -0.67 0.00 0.07 0.00 0.00 59.98 59.21 2k6h h ARG 170 Cb 0.28 0.06 -0.37 0.00 0.08 0.00 0.00 29.97 30.02 2k6h h ARG 170 CO 0.01 0.77 -0.74 -0.06 -1.07 0.00 0.00 179.97 178.88 2k6h s PHE 171 N -2.59 3.45 0.44 3.04 0.40 0.47 -0.33 117.98 122.85 2k6h s PHE 171 Ca -0.10 -2.47 0.18 0.00 -0.60 0.00 0.00 56.93 53.94 2k6h s PHE 171 Cb 0.08 -2.37 1.11 0.00 0.51 0.00 0.00 43.02 42.34 2k6h s PHE 171 CO 0.81 -0.90 1.91 -0.91 0.70 0.00 0.00 175.22 176.84 2k6h h ASN 172 N 7.78 0.34 0.49 1.36 4.21 -0.95 -0.84 115.58 127.97 2k6h h ASN 172 Ca -0.14 0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.37 2k6h h ASN 172 Cb 1.04 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 38.18 2k6h h ASN 172 CO 0.51 0.17 -0.42 0.74 -1.29 0.00 0.00 177.43 177.14 2k6h h THR 173 N 0.36 0.00 -0.92 2.81 2.02 -1.72 0.11 112.91 115.56 2k6h h THR 173 Ca 0.38 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.57 2k6h h THR 173 Cb 0.96 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.33 2k6h h THR 173 CO -0.11 0.00 0.60 0.58 0.37 0.00 0.00 175.52 176.96 2k6h h VAL 174 N -0.89 1.24 0.05 3.16 2.07 -1.75 -0.31 116.25 119.83 2k6h h VAL 174 Ca -0.06 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.03 2k6h h VAL 174 Cb 0.75 -0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 2k6h h VAL 174 CO -0.01 0.24 -0.41 -1.28 0.02 0.00 0.00 177.57 176.13 2k6h h SER 175 N 1.26 -1.22 0.33 0.57 0.87 -1.02 -0.70 113.55 113.64 2k6h h SER 175 Ca 0.34 0.14 -0.07 0.00 -1.23 0.00 0.00 61.79 60.97 2k6h h SER 175 Cb -0.13 0.47 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 2k6h h SER 175 CO -0.07 -0.46 -0.33 0.03 -0.53 0.00 0.00 176.83 175.47 2k6h h ARG 176 N -0.60 0.00 0.91 2.24 3.08 -0.12 0.18 114.38 120.07 2k6h h ARG 176 Ca 0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 2k6h h ARG 176 Cb 0.65 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.71 2k6h h ARG 176 CO -0.28 0.33 -0.44 1.15 -1.07 0.00 0.00 179.97 179.66 2k6h h THR 177 N 0.00 0.07 -0.06 2.04 2.02 -0.67 -2.80 112.91 113.51 2k6h h THR 177 Ca -0.00 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 2k6h h THR 177 Cb 0.58 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 2k6h h THR 177 CO 0.04 0.00 -0.12 1.62 0.37 0.00 0.00 175.52 177.43 2k6h h VAL 178 N -1.26 1.12 -0.21 3.16 3.04 -0.76 -2.12 116.25 119.22 2k6h h VAL 178 Ca -0.12 -0.55 0.05 0.00 -1.01 0.00 0.00 66.70 65.06 2k6h h VAL 178 Cb 0.94 1.22 -0.05 0.00 -2.01 0.00 0.00 31.29 31.39 2k6h h VAL 178 CO 0.20 0.17 -0.12 -0.78 -1.01 0.00 0.00 177.57 176.03 2k6h h ASP 179 N 0.08 -0.39 -0.37 3.17 3.58 -0.53 0.23 116.42 122.19 2k6h h ASP 179 Ca 0.02 0.09 -0.08 0.00 0.42 0.00 0.00 57.03 57.48 2k6h h ASP 179 Cb 0.27 0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 2k6h h ASP 179 CO 0.02 -0.15 -0.06 0.00 -2.88 0.00 0.00 179.24 176.16 2k6h h ALA 180 N 1.06 0.51 -0.35 -0.78 0.00 -1.33 -3.25 119.26 115.12 2k6h h ALA 180 Ca 0.12 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2k6h h ALA 180 Cb 0.28 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2k6h h ALA 180 CO -0.27 0.34 0.21 0.78 0.00 0.00 0.00 179.25 180.30 2k6h h GLY 181 N 0.50 0.49 0.64 0.00 0.00 -0.60 -3.04 103.07 101.06 2k6h h GLY 181 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2k6h h GLY 181 CO 0.03 0.19 -0.29 -2.75 0.00 0.00 0.00 176.54 173.72 2k6h h PHE 182 N 0.47 -0.79 0.00 5.60 3.57 -0.62 -2.78 116.94 122.39 2k6h h PHE 182 Ca 0.13 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.47 2k6h h PHE 182 Cb -0.01 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2k6h h PHE 182 CO 0.00 -0.42 -0.78 -0.97 -2.23 0.00 0.00 178.31 173.91 2k6h h ASN 183 N -0.60 0.00 -2.76 0.41 -0.73 -1.74 -2.82 115.58 107.34 2k6h h ASN 183 Ca -0.01 0.00 -0.54 0.00 1.87 0.00 0.00 56.30 57.62 2k6h h ASN 183 Cb 0.56 0.00 0.07 0.00 0.27 0.00 0.00 38.32 39.22 2k6h h ASN 183 CO -0.08 0.78 0.91 -0.24 -0.37 0.00 0.00 177.43 178.43 2k6h n SER 184 N -3.40 3.71 -0.01 1.15 2.88 -1.05 -4.91 113.62 111.99 2k6h n SER 184 Ca 0.00 1.09 -0.05 0.00 -1.33 0.00 0.00 58.87 58.59 2k6h n SER 184 Cb 0.81 -1.54 0.17 0.00 -0.75 0.00 0.00 64.21 62.90 2k6h n SER 184 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 2k6h h GLN 185 N 5.88 0.56 0.00 -1.46 -0.00 -1.88 -2.89 115.11 115.33 2k6h h GLN 185 Ca -0.45 -0.22 -0.13 0.00 -0.00 0.00 0.00 58.65 57.86 2k6h h GLN 185 Cb 1.22 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.48 28.65 2k6h h GLN 185 CO 0.88 0.76 -0.61 1.25 -0.00 0.00 0.00 178.83 181.11 2k6h h HIS 186 N 0.50 0.00 -0.69 0.06 2.76 -1.91 -3.50 115.15 112.37 2k6h h HIS 186 Ca 0.07 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2k6h h HIS 186 Cb 0.68 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.64 2k6h h HIS 186 CO 0.03 0.61 0.00 0.41 -1.30 0.00 0.00 177.93 177.68 2k6h n GLY 187 N 0.43 -1.43 3.32 5.26 0.00 -1.09 -4.93 105.19 106.74 2k6h n GLY 187 Ca -0.01 -1.23 -0.17 0.00 0.00 0.00 0.00 46.02 44.61 2k6h n GLY 187 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k6h s VAL 188 N 0.00 0.80 0.36 1.61 -7.23 -0.56 -4.85 120.40 110.53 2k6h s VAL 188 Ca 0.00 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 2k6h s VAL 188 Cb 0.00 -2.46 -0.05 0.00 0.56 0.00 0.00 36.38 34.44 2k6h s VAL 188 CO 0.00 -0.20 0.09 0.42 -0.31 0.00 0.00 175.10 175.10 2k6h s THR 189 N -3.58 0.93 0.25 5.32 -4.23 -1.26 -0.83 115.64 112.24 2k6h s THR 189 Ca 0.32 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.87 2k6h s THR 189 Cb 0.07 -2.58 -0.01 0.00 1.34 0.00 0.00 72.50 71.31 2k6h s THR 189 CO 0.10 0.00 0.13 0.00 -0.54 0.00 0.00 174.62 174.32 2k6h n LEU 190 N -0.79 0.00 -4.37 4.79 -0.00 -1.26 -5.03 117.00 110.34 2k6h n LEU 190 Ca -0.04 -2.07 -0.22 0.00 -0.00 0.00 0.00 56.01 53.68 2k6h n LEU 190 Cb 0.66 0.85 -0.11 0.00 -0.00 0.00 0.00 43.42 44.83 2k6h n LEU 190 CO 0.39 -0.33 -0.47 0.28 -0.00 0.00 0.00 177.39 177.26 2k6h s THR 191 N -2.69 1.96 0.45 1.47 -1.32 -1.26 -4.64 115.64 109.60 2k6h s THR 191 Ca 0.19 -2.11 0.28 0.00 -1.21 0.00 0.00 61.69 58.84 2k6h s THR 191 Cb 0.01 -2.01 0.48 0.00 -1.51 0.00 0.00 72.50 69.46 2k6h s THR 191 CO 0.13 -0.40 1.71 -0.37 -2.21 0.00 0.00 174.62 173.48 2k6h h VAL 192 N 2.85 0.31 -0.93 5.08 -1.51 -1.97 0.42 116.25 120.50 2k6h h VAL 192 Ca -0.41 -0.06 0.16 0.00 -1.23 0.00 0.00 66.70 65.16 2k6h h VAL 192 Cb 1.22 0.12 -0.10 0.00 -2.13 0.00 0.00 31.29 30.40 2k6h h VAL 192 CO 0.56 0.03 0.52 0.74 -1.23 0.00 0.00 177.57 178.20 2k6h h THR 193 N 0.18 0.73 -0.20 7.19 2.02 -1.97 0.14 112.91 121.01 2k6h h THR 193 Ca 0.70 -0.24 -0.17 0.00 0.77 0.00 0.00 66.41 67.47 2k6h h THR 193 Cb 2.19 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 68.55 2k6h h THR 193 CO -0.28 0.13 -0.56 1.56 0.37 0.00 0.00 175.52 176.74 2k6h h GLN 194 N 0.71 0.62 -0.27 6.66 1.08 -1.31 -2.49 115.11 120.11 2k6h h GLN 194 Ca 0.52 -0.40 0.05 0.00 -1.45 0.00 0.00 58.65 57.37 2k6h h GLN 194 Cb 0.75 0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 28.18 2k6h h GLN 194 CO -0.37 1.01 -0.04 0.78 -0.95 0.00 0.00 178.83 179.27 2k6h h GLY 195 N 0.99 0.22 1.55 3.46 0.00 -1.12 -2.79 103.07 105.38 2k6h h GLY 195 Ca 0.01 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.36 2k6h h GLY 195 CO 0.11 -0.08 0.09 0.50 0.00 0.00 0.00 176.54 177.16 2k6h h LYS 196 N 0.04 0.58 -0.16 4.80 1.57 -0.47 0.69 116.57 123.61 2k6h h LYS 196 Ca 0.13 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2k6h h LYS 196 Cb 0.18 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2k6h h LYS 196 CO -0.25 0.53 -0.02 -0.56 -0.57 0.00 0.00 179.45 178.59 2k6h h GLN 197 N 0.56 0.30 -0.05 3.15 3.07 -1.35 -3.19 115.11 117.60 2k6h h GLN 197 Ca 0.13 -0.11 -0.20 0.00 0.09 0.00 0.00 58.65 58.57 2k6h h GLN 197 Cb 0.22 -0.02 -0.00 0.00 0.08 0.00 0.00 27.48 27.76 2k6h h GLN 197 CO -0.00 0.55 -0.81 -0.39 0.09 0.00 0.00 178.83 178.27 2k6h h VAL 198 N 0.02 1.39 -0.26 1.86 -1.51 -1.09 -3.10 116.25 113.57 2k6h h VAL 198 Ca 0.04 -2.26 -0.02 0.00 -1.23 0.00 0.00 66.70 63.23 2k6h h VAL 198 Cb 0.43 2.23 -0.01 0.00 -2.13 0.00 0.00 31.29 31.80 2k6h h VAL 198 CO 0.01 0.68 0.08 -0.61 -1.23 0.00 0.00 177.57 176.50 2k6h h GLN 199 N 0.26 0.41 -2.17 5.19 5.75 -1.00 -3.17 115.11 120.38 2k6h h GLN 199 Ca -0.05 -0.09 -0.69 0.00 -0.15 0.00 0.00 58.65 57.67 2k6h h GLN 199 Cb 1.41 -0.06 -0.35 0.00 1.07 0.00 0.00 27.48 29.55 2k6h h GLN 199 CO 0.14 0.48 0.18 1.17 -2.65 0.00 0.00 178.83 178.15 2k6h n LYS 200 N -4.73 4.10 0.08 1.69 3.00 -1.21 -4.81 118.16 116.29 2k6h n LYS 200 Ca -0.03 -4.63 0.20 0.00 -0.00 0.00 0.00 58.31 53.85 2k6h n LYS 200 Cb 0.16 -2.34 0.74 0.00 0.00 0.00 0.00 35.03 33.60 2k6h n LYS 200 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.40 179.75 2k6h h TRP 201 N 3.44 0.00 -1.11 5.64 7.01 -1.51 -0.84 115.95 128.57 2k6h h TRP 201 Ca 0.35 0.00 0.31 0.00 2.11 0.00 0.00 58.89 61.66 2k6h h TRP 201 Cb 0.42 0.00 -0.10 0.00 -2.10 0.00 0.00 29.16 27.39 2k6h h TRP 201 CO 1.07 0.00 0.73 0.22 -2.79 0.00 0.00 178.44 177.67 2k6h h ASP 202 N 0.00 0.35 0.22 2.65 3.58 -1.89 0.25 116.42 121.58 2k6h h ASP 202 Ca 0.20 0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.75 2k6h h ASP 202 Cb 1.07 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 42.12 2k6h h ASP 202 CO -0.00 0.02 -0.33 0.03 -2.88 0.00 0.00 179.24 176.08 2k6h h ARG 203 N 0.28 -0.60 -0.36 0.28 3.08 -1.52 -0.60 114.38 114.96 2k6h h ARG 203 Ca 0.64 0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.66 2k6h h ARG 203 Cb 1.81 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.98 2k6h h ARG 203 CO -0.29 -0.40 -0.06 0.82 -1.07 0.00 0.00 179.97 178.97 2k6h h ILE 204 N -0.62 1.23 0.41 2.04 5.03 -1.19 -0.67 117.51 123.73 2k6h h ILE 204 Ca 0.01 -0.97 -0.01 0.00 -0.12 0.00 0.00 64.86 63.77 2k6h h ILE 204 Cb 0.60 1.03 -0.01 0.00 -3.03 0.00 0.00 36.82 35.41 2k6h h ILE 204 CO -0.13 0.33 -0.28 -1.28 -0.68 0.00 0.00 178.15 176.11 2k6h h SER 205 N 0.55 -0.72 -0.60 1.72 0.87 -0.74 0.11 113.55 114.75 2k6h h SER 205 Ca 0.11 0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.64 2k6h h SER 205 Cb 0.45 0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 2k6h h SER 205 CO 0.02 -0.43 0.09 0.07 -0.53 0.00 0.00 176.83 176.05 2k6h h LYS 206 N -0.67 1.02 -0.60 2.24 2.10 -0.98 -2.76 116.57 116.92 2k6h h LYS 206 Ca -0.04 -0.26 0.04 0.00 -2.00 0.00 0.00 60.65 58.39 2k6h h LYS 206 Cb 0.57 -0.12 -0.05 0.00 -0.90 0.00 0.00 32.23 31.73 2k6h h LYS 206 CO 0.02 0.94 0.34 0.00 -2.00 0.00 0.00 179.45 178.75 2k6h h ALA 207 N 1.14 0.78 -0.31 0.07 0.00 -0.89 -0.85 119.26 119.19 2k6h h ALA 207 Ca 0.19 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2k6h h ALA 207 Cb 0.43 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2k6h h ALA 207 CO 0.01 0.02 0.11 0.00 0.00 0.00 0.00 179.25 179.40 2k6h h ALA 208 N 1.30 0.36 -0.85 0.00 0.00 -0.58 0.14 119.26 119.63 2k6h h ALA 208 Ca 0.26 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2k6h h ALA 208 Cb 0.12 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2k6h h ALA 208 CO -0.15 -0.29 0.47 0.35 0.00 0.00 0.00 179.25 179.63 2k6h h PHE 209 N 0.25 1.16 -0.40 0.00 3.57 -1.13 -1.03 116.94 119.36 2k6h h PHE 209 Ca 0.14 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 2k6h h PHE 209 Cb 0.11 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.46 2k6h h PHE 209 CO -0.13 0.80 0.09 0.93 -2.23 0.00 0.00 178.31 177.77 2k6h h GLU 210 N 1.18 0.66 0.00 1.11 5.08 -0.68 -2.34 114.58 119.58 2k6h h GLU 210 Ca 0.30 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2k6h h GLU 210 Cb 0.03 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2k6h h GLU 210 CO -0.05 0.69 0.00 0.91 -1.00 0.00 0.00 179.01 179.56 2k6h n TRP 211 N -4.54 0.26 -0.03 4.33 8.01 0.46 -2.48 117.44 123.44 2k6h n TRP 211 Ca -0.00 0.12 -0.13 0.00 -1.31 0.00 0.00 57.50 56.17 2k6h n TRP 211 Cb 0.22 -0.69 -0.10 0.00 -2.01 0.00 0.00 31.31 28.73 2k6h n TRP 211 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2k6h h ALA 212 N 2.23 0.05 -0.13 6.99 0.00 -0.62 -3.34 119.26 124.43 2k6h h ALA 212 Ca 0.00 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 2k6h h ALA 212 Cb 0.15 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2k6h h ALA 212 CO 0.00 -0.10 -0.55 -0.44 0.00 0.00 0.00 179.25 178.16 2k6h h ASP 213 N -0.46 0.71 -3.72 0.00 3.32 -1.53 -3.42 116.42 111.33 2k6h h ASP 213 Ca -0.00 -0.62 -0.64 0.00 0.02 0.00 0.00 57.03 55.79 2k6h h ASP 213 Cb 0.67 -0.21 -0.38 0.00 0.22 0.00 0.00 39.33 39.63 2k6h h ASP 213 CO 0.02 1.22 -0.78 -2.28 -1.72 0.00 0.00 179.24 175.69 2k6h s HIS 214 N -3.77 2.91 0.57 4.55 2.46 -1.04 -5.04 115.29 115.93 2k6h s HIS 214 Ca -0.12 -2.16 0.26 0.00 0.47 0.00 0.00 55.06 53.51 2k6h s HIS 214 Cb 0.07 -1.91 1.66 0.00 -0.13 0.00 0.00 32.58 32.26 2k6h s HIS 214 CO 0.85 -0.85 2.19 -1.00 -2.47 0.00 0.00 174.74 173.47 2k6h h PRO 215 N 7.84 0.00 -1.21 2.88 0.13 -1.82 -2.93 132.00 136.89 2k6h h PRO 215 Ca -0.16 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.58 2k6h h PRO 215 Cb 1.05 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.79 2k6h h PRO 215 CO 0.45 0.00 -1.18 -2.37 -0.23 0.00 0.00 178.00 174.67 2k6h n THR 216 N -4.01 0.68 -1.68 1.56 5.66 -1.26 -4.35 114.28 110.88 2k6h n THR 216 Ca -0.02 -3.37 -0.48 0.00 -3.05 0.00 0.00 64.05 57.13 2k6h n THR 216 Cb 0.15 0.46 -0.05 0.00 -1.55 0.00 0.00 70.33 69.34 2k6h n THR 216 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k6h n ALA 217 N 0.01 0.94 -2.38 1.79 0.00 -1.11 -4.96 120.51 114.81 2k6h n ALA 217 Ca 0.13 0.33 -0.42 0.00 0.00 0.00 0.00 53.44 53.47 2k6h n ALA 217 Cb 0.78 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.75 2k6h n ALA 217 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k6h s VAL 218 N 3.28 4.02 -0.34 0.00 0.11 -1.26 -4.79 120.40 121.42 2k6h s VAL 218 Ca 0.90 1.40 0.02 0.00 -2.93 0.00 0.00 61.98 61.36 2k6h s VAL 218 Cb -0.70 -3.90 0.10 0.00 -1.53 0.00 0.00 36.38 30.35 2k6h s VAL 218 CO 0.49 0.03 0.08 -0.63 -3.33 0.00 0.00 175.10 171.74 2k6h s ILE 219 N 1.91 1.75 0.34 7.04 1.01 -1.26 -5.01 121.20 126.97 2k6h s ILE 219 Ca 0.59 -2.02 0.30 0.00 0.00 0.00 0.00 60.65 59.51 2k6h s ILE 219 Cb -0.28 -2.30 0.31 0.00 0.01 0.00 0.00 42.46 40.21 2k6h s ILE 219 CO 0.25 -0.64 2.04 1.55 0.00 0.00 0.00 174.94 178.15 2k6h h PRO 220 N 7.74 0.00 -0.26 2.79 0.13 -1.95 -2.10 132.00 138.36 2k6h h PRO 220 Ca -0.08 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.06 2k6h h PRO 220 Cb 1.01 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.13 2k6h h PRO 220 CO 0.51 0.11 0.16 -0.44 -0.23 0.00 0.00 178.00 178.10 2k6h h ASP 221 N 0.00 0.26 1.55 1.44 3.32 -1.95 -3.05 116.42 118.01 2k6h h ASP 221 Ca -0.00 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 2k6h h ASP 221 Cb 0.41 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2k6h h ASP 221 CO 0.01 0.19 -0.32 -0.03 -1.72 0.00 0.00 179.24 177.38 2k6h h MET 222 N 0.32 0.00 -0.79 3.56 4.05 -1.63 -3.13 114.93 117.31 2k6h h MET 222 Ca 0.10 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.60 2k6h h MET 222 Cb -0.02 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 30.73 2k6h h MET 222 CO -0.04 0.32 0.51 1.96 0.23 0.00 0.00 176.91 179.89 2k6h h GLN 223 N 0.00 0.77 0.00 0.39 1.08 -0.99 -0.19 115.11 116.16 2k6h h GLN 223 Ca -0.00 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.13 2k6h h GLN 223 Cb 1.18 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 28.43 2k6h h GLN 223 CO 0.04 0.51 -0.11 0.87 -0.95 0.00 0.00 178.83 179.19 2k6h h LYS 224 N 0.79 0.00 -0.15 1.46 1.57 -1.58 -0.92 116.57 117.74 2k6h h LYS 224 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 2k6h h LYS 224 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2k6h h LYS 224 CO -0.13 0.11 0.00 1.28 -0.57 0.00 0.00 179.45 180.14 2k6h n LEU 225 N -4.29 1.68 0.00 2.94 7.99 -0.20 -4.93 117.00 120.20 2k6h n LEU 225 Ca -0.03 -0.69 0.00 0.00 -0.01 0.00 0.00 56.01 55.29 2k6h n LEU 225 Cb 0.19 -0.09 0.00 0.00 -0.11 0.00 0.00 43.42 43.40 2k6h n LEU 225 CO 0.34 0.34 0.00 0.61 -1.51 0.00 0.00 177.39 177.18 2k6h n GLY 226 N 1.14 0.65 3.24 -0.72 0.00 -0.35 -5.03 105.19 104.13 2k6h n GLY 226 Ca 0.17 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 2k6h n GLY 226 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k6h s ILE 227 N -2.00 2.84 -0.01 -0.61 1.01 -0.53 -4.97 121.20 116.94 2k6h s ILE 227 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 59.97 2k6h s ILE 227 Cb 0.00 -2.26 -0.00 0.00 0.01 0.00 0.00 42.46 40.21 2k6h s ILE 227 CO 0.00 0.47 0.01 2.29 0.00 0.00 0.00 174.94 177.71 2k6h n LYS 228 N 4.64 5.09 -3.70 2.79 0.00 -1.26 -2.01 118.16 123.70 2k6h n LYS 228 Ca -0.19 -0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.00 2k6h n LYS 228 Cb 0.51 -0.64 -0.07 0.00 -0.00 0.00 0.00 35.03 34.83 2k6h n LYS 228 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2k6h s ASP 229 N -1.28 -0.21 0.33 -5.58 2.15 -1.26 -4.64 116.67 106.18 2k6h s ASP 229 Ca 0.00 -0.11 0.06 0.00 0.43 0.00 0.00 52.55 52.93 2k6h s ASP 229 Cb 0.00 0.40 0.74 0.00 -0.30 0.00 0.00 42.92 43.76 2k6h s ASP 229 CO 0.01 -0.66 1.87 0.50 -0.17 0.00 0.00 175.17 176.72 2k6h h LYS 230 N 3.05 0.76 -0.30 4.34 3.64 -1.91 -1.22 116.57 124.94 2k6h h LYS 230 Ca -0.32 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 58.91 2k6h h LYS 230 Cb 1.21 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 2k6h h LYS 230 CO 0.45 0.50 -0.27 -0.91 -2.27 0.00 0.00 179.45 176.96 2k6h h ASN 231 N 0.79 0.61 -0.11 4.20 2.35 -1.97 0.16 115.58 121.61 2k6h h ASN 231 Ca 0.45 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 2k6h h ASN 231 Cb 0.62 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 2k6h h ASN 231 CO -0.21 0.86 0.02 -0.08 -1.65 0.00 0.00 177.43 176.36 2k6h h GLU 232 N 0.52 0.17 -0.94 0.81 4.57 -1.68 -2.78 114.58 115.25 2k6h h GLU 232 Ca 0.07 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.25 2k6h h GLU 232 Cb 0.73 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.24 2k6h h GLU 232 CO 0.06 0.35 0.61 0.00 -1.18 0.00 0.00 179.01 178.85 2k6h h ALA 233 N 0.81 1.26 -0.26 2.92 0.00 -0.96 -2.57 119.26 120.45 2k6h h ALA 233 Ca 0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2k6h h ALA 233 Cb 0.26 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2k6h h ALA 233 CO 0.00 0.46 0.05 0.00 0.00 0.00 0.00 179.25 179.76 2k6h h ALA 234 N 1.40 1.60 0.00 0.00 0.00 -0.48 0.46 119.26 122.23 2k6h h ALA 234 Ca 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2k6h h ALA 234 Cb 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2k6h h ALA 234 CO -0.13 0.30 -0.44 2.89 0.00 0.00 0.00 179.25 181.87 2k6h n ARG 235 N -4.37 0.28 -0.09 0.00 1.85 -1.06 -4.31 116.66 108.95 2k6h n ARG 235 Ca 0.01 0.12 -0.22 0.00 -1.00 0.00 0.00 57.85 56.76 2k6h n ARG 235 Cb 0.17 -1.72 -0.12 0.00 -1.05 0.00 0.00 32.46 29.75 2k6h n ARG 235 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 2k6h h ILE 236 N 0.00 0.93 -3.10 8.89 2.04 -0.85 -3.40 117.51 122.02 2k6h h ILE 236 Ca 0.00 -2.20 -0.65 0.00 1.00 0.00 0.00 64.86 63.01 2k6h h ILE 236 Cb 0.74 2.29 -0.10 0.00 -0.74 0.00 0.00 36.82 39.01 2k6h h ILE 236 CO 0.00 0.36 -0.57 0.68 0.00 0.00 0.00 178.15 178.62 2k6h s VAL 237 N -2.37 4.74 0.04 1.67 -7.23 0.04 -0.55 120.40 116.74 2k6h s VAL 237 Ca -0.28 -0.42 0.01 0.00 -1.81 0.00 0.00 61.98 59.49 2k6h s VAL 237 Cb 0.06 -3.18 -0.26 0.00 0.56 0.00 0.00 36.38 33.56 2k6h s VAL 237 CO 0.61 0.34 0.99 0.00 -0.31 0.00 0.00 175.10 176.73 2k6h h ALA 238 N 4.05 0.32 -2.81 1.32 0.00 -0.94 -3.43 119.26 117.78 2k6h h ALA 238 Ca -0.49 -1.07 -0.12 0.00 0.00 0.00 0.00 54.91 53.23 2k6h h ALA 238 Cb 1.18 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 19.02 2k6h h ALA 238 CO 0.63 1.19 -0.21 -0.51 0.00 0.00 0.00 179.25 180.35 2k6h s LEU 239 N -6.83 0.57 0.20 0.00 1.02 -1.26 -4.32 118.68 108.06 2k6h s LEU 239 Ca -0.05 -1.11 0.06 0.00 0.02 0.00 0.00 54.13 53.05 2k6h s LEU 239 Cb 0.08 1.51 -0.05 0.00 0.02 0.00 0.00 46.19 47.75 2k6h s LEU 239 CO 0.85 -1.13 -0.09 0.68 0.02 0.00 0.00 176.35 176.67 2k6h s VAL 240 N -3.84 1.40 1.08 -1.59 -7.23 -0.29 -4.95 120.40 104.98 2k6h s VAL 240 Ca 0.26 -2.12 -0.14 0.00 -1.81 0.00 0.00 61.98 58.18 2k6h s VAL 240 Cb 0.01 -2.07 0.23 0.00 0.56 0.00 0.00 36.38 35.10 2k6h s VAL 240 CO 0.12 -0.57 1.09 -0.75 -0.31 0.00 0.00 175.10 174.67 2k6h s LYS 241 N -3.73 -0.22 -1.05 4.82 2.20 -1.26 -1.35 119.74 119.15 2k6h s LYS 241 Ca 0.22 0.37 -0.24 0.00 -0.36 0.00 0.00 55.97 55.97 2k6h s LYS 241 Cb 0.02 -1.67 -0.08 0.00 -1.51 0.00 0.00 37.83 34.59 2k6h s LYS 241 CO 0.05 -3.14 1.96 1.21 -0.36 0.00 0.00 175.35 175.07 2k6h s ASN 242 N -3.47 5.00 -0.07 1.43 3.84 -1.24 -3.99 114.94 116.43 2k6h s ASN 242 Ca 0.67 -1.17 -0.25 0.00 0.21 0.00 0.00 52.86 52.32 2k6h s ASN 242 Cb -0.17 -2.58 -0.28 0.00 -0.55 0.00 0.00 41.25 37.68 2k6h s ASN 242 CO 0.58 -3.01 0.89 -0.61 -2.79 0.00 0.00 177.10 172.16 2k6h h GLN 243 N 10.53 0.19 -5.58 0.43 5.75 -1.89 -3.41 115.11 121.12 2k6h h GLN 243 Ca 0.15 -0.28 -0.68 0.00 -0.15 0.00 0.00 58.65 57.69 2k6h h GLN 243 Cb 0.97 0.10 -0.05 0.00 1.07 0.00 0.00 27.48 29.57 2k6h h GLN 243 CO 1.21 1.10 1.42 2.41 -2.65 0.00 0.00 178.83 182.31 2k6h n THR 244 N -4.35 0.00 -0.32 2.39 -1.04 -1.26 -1.42 114.28 108.28 2k6h n THR 244 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 2k6h n THR 244 Cb 0.65 -0.49 0.00 0.00 -1.82 0.00 0.00 70.33 68.67 2k6h n THR 244 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2k6h n THR 245 N 6.64 0.00 0.05 12.58 -2.24 -1.26 -4.69 114.28 125.36 2k6h n THR 245 Ca 0.57 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 62.14 2k6h n THR 245 Cb -0.02 -0.32 -0.15 0.00 -2.10 0.00 0.00 70.33 67.75 2k6h n THR 245 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k6h h ALA 246 N 0.00 0.26 -2.64 6.98 0.00 -1.49 -3.48 119.26 118.89 2k6h h ALA 246 Ca 0.00 -1.21 -0.08 0.00 0.00 0.00 0.00 54.91 53.62 2k6h h ALA 246 Cb 0.00 0.49 -0.13 0.00 0.00 0.00 0.00 17.79 18.15 2k6h h ALA 246 CO 0.00 1.13 -0.26 0.00 0.00 0.00 0.00 179.25 180.13 2k6h s ALA 247 N -2.58 -0.35 0.00 0.00 0.00 -0.91 -5.09 121.76 112.84 2k6h s ALA 247 Ca -0.16 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.23 2k6h s ALA 247 Cb 0.06 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.87 2k6h s ALA 247 CO 0.83 -0.61 0.02 0.00 0.00 0.00 0.00 175.76 176.00