#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 0.63 -4.40 2.12 2.85 -1.26 -4.70 118.16 113.40 2k6h n LYS 2 Ca 0.00 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.01 2k6h n LYS 2 Cb 0.00 -1.24 -0.17 0.00 -0.65 0.00 0.00 35.03 32.97 2k6h n LYS 2 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2k6h s ARG 3 N -1.23 1.59 -0.17 -1.58 0.52 -1.26 -5.11 118.95 111.70 2k6h s ARG 3 Ca 0.00 -0.35 -0.29 0.00 -0.52 0.00 0.00 55.73 54.57 2k6h s ARG 3 Cb 0.00 -1.40 -0.01 0.00 0.52 0.00 0.00 34.95 34.06 2k6h s ARG 3 CO 0.00 -0.05 1.24 -1.50 0.02 0.00 0.00 175.30 175.01 2k6h s ILE 4 N 0.91 4.33 -0.10 1.52 -1.16 -1.26 -5.02 121.20 120.42 2k6h s ILE 4 Ca -0.10 1.61 -0.27 0.00 -0.51 0.00 0.00 60.65 61.38 2k6h s ILE 4 Cb -0.15 -4.04 -0.02 0.00 0.61 0.00 0.00 42.46 38.86 2k6h s ILE 4 CO 0.01 -0.14 0.89 0.54 -2.81 0.00 0.00 174.94 173.43 2k6h s VAL 5 N 3.45 4.88 0.15 4.00 0.11 -1.26 -4.89 120.40 126.84 2k6h s VAL 5 Ca 0.53 1.81 -0.34 0.00 -2.93 0.00 0.00 61.98 61.05 2k6h s VAL 5 Cb -0.21 -4.21 -0.15 0.00 -1.53 0.00 0.00 36.38 30.28 2k6h s VAL 5 CO 0.14 0.09 1.47 -2.65 -3.33 0.00 0.00 175.10 170.81 2k6h n PRO 6 N 4.64 1.81 0.20 1.54 -0.02 -1.26 -4.94 135.00 136.97 2k6h n PRO 6 Ca 0.05 0.65 -0.09 0.00 -2.02 0.00 0.00 63.50 62.09 2k6h n PRO 6 Cb 0.50 -2.36 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 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 5.20 -0.56 0.00 -0.52 6.56 -1.95 -3.49 116.57 121.81 2k6h h LYS 7 Ca -0.46 0.04 -0.09 0.00 -1.06 0.00 0.00 60.65 59.08 2k6h h LYS 7 Cb 1.28 0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 33.06 2k6h h LYS 7 CO 0.83 -0.36 0.08 0.34 -2.06 0.00 0.00 179.45 178.28 2k6h n PHE 8 N -5.16 -1.65 -4.08 -1.35 7.35 -1.26 -5.17 117.46 106.14 2k6h n PHE 8 Ca -0.07 -1.45 -0.23 0.00 -0.76 0.00 0.00 57.45 54.93 2k6h n PHE 8 Cb 0.24 0.55 -0.17 0.00 0.35 0.00 0.00 39.48 40.45 2k6h n PHE 8 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 2k6h s THR 9 N -2.50 0.73 -0.20 -2.13 -1.32 -1.26 -4.59 115.64 104.38 2k6h s THR 9 Ca 0.15 -0.17 -0.25 0.00 -1.21 0.00 0.00 61.69 60.20 2k6h s THR 9 Cb -0.02 -0.77 -0.01 0.00 -1.51 0.00 0.00 72.50 70.19 2k6h s THR 9 CO 0.11 0.29 0.84 -1.61 -2.21 0.00 0.00 174.62 172.04 2k6h s GLU 10 N 1.32 4.26 -0.12 7.08 0.41 -0.89 -4.92 118.70 125.83 2k6h s GLU 10 Ca -0.04 1.01 0.01 0.00 -0.41 0.00 0.00 54.97 55.54 2k6h s GLU 10 Cb -0.14 -3.60 -0.01 0.00 -1.78 0.00 0.00 34.13 28.60 2k6h s GLU 10 CO -0.03 -0.41 -0.14 0.42 -0.49 0.00 0.00 175.26 174.61 2k6h s ILE 11 N 2.43 2.93 0.05 -1.63 1.01 -1.26 -0.68 121.20 124.06 2k6h s ILE 11 Ca 0.37 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 60.33 2k6h s ILE 11 Cb -0.16 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 2k6h s ILE 11 CO 0.10 0.53 -0.07 -0.36 0.00 0.00 0.00 174.94 175.15 2k6h s PHE 12 N 0.28 0.67 1.10 3.97 0.08 -0.64 -4.99 117.98 118.45 2k6h s PHE 12 Ca -0.11 -0.62 -0.17 0.00 0.12 0.00 0.00 56.93 56.16 2k6h s PHE 12 Cb -0.16 -0.40 0.24 0.00 -0.57 0.00 0.00 43.02 42.13 2k6h s PHE 12 CO 0.06 -0.12 1.15 -1.25 -0.10 0.00 0.00 175.22 174.95 2k6h s PRO 13 N -2.16 -0.43 0.06 0.24 0.04 -1.26 -1.25 135.00 130.25 2k6h s PRO 13 Ca -0.05 -0.00 0.00 0.00 0.04 0.00 0.00 61.00 60.99 2k6h s PRO 13 Cb -0.06 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.80 2k6h s PRO 13 CO -0.01 -3.20 0.00 0.28 0.04 0.00 0.00 177.00 174.11 2k6h n VAL 14 N -4.41 0.30 0.26 -0.36 0.31 -1.17 -4.71 118.33 108.55 2k6h n VAL 14 Ca 0.12 0.10 0.14 0.00 -0.01 0.00 0.00 64.34 64.68 2k6h n VAL 14 Cb 0.59 -0.85 0.63 0.00 -0.91 0.00 0.00 33.84 33.31 2k6h n VAL 14 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2k6h h GLU 15 N 0.00 0.00 -0.97 5.55 9.09 -1.86 -2.96 114.58 123.43 2k6h h GLU 15 Ca 0.00 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 58.89 2k6h h GLU 15 Cb 0.00 0.00 -0.30 0.00 -1.65 0.00 0.00 28.75 26.80 2k6h h GLU 15 CO 0.00 0.11 0.64 -3.47 0.05 0.00 0.00 179.01 176.35 2k6h n ASP 16 N -3.31 4.02 -3.92 3.06 2.03 -1.26 -4.85 116.55 112.32 2k6h n ASP 16 Ca -0.00 -3.63 -0.39 0.00 0.52 0.00 0.00 54.79 51.29 2k6h n ASP 16 Cb 0.33 -0.84 -0.06 0.00 -0.72 0.00 0.00 41.12 39.83 2k6h n ASP 16 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k6h n ALA 17 N -1.13 2.86 -0.13 -1.67 0.00 -1.12 -4.62 120.51 114.70 2k6h n ALA 17 Ca 0.59 -3.23 -0.12 0.00 0.00 0.00 0.00 53.44 50.68 2k6h n ALA 17 Cb 1.57 -3.59 -0.00 0.00 0.00 0.00 0.00 19.45 17.42 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 8.43 1.00 -4.10 0.00 -0.73 -1.92 -3.45 115.58 114.81 2k6h h ASN 18 Ca 0.36 -0.42 -0.51 0.00 1.87 0.00 0.00 56.30 57.61 2k6h h ASN 18 Cb 0.75 -0.28 0.09 0.00 0.27 0.00 0.00 38.32 39.15 2k6h h ASN 18 CO 1.74 1.21 0.44 -0.72 -0.37 0.00 0.00 177.43 179.73 2k6h s TYR 19 N -4.52 2.59 0.58 0.67 1.13 -1.26 -5.01 117.35 111.52 2k6h s TYR 19 Ca -0.11 1.54 -0.20 0.00 -1.41 0.00 0.00 57.07 56.89 2k6h s TYR 19 Cb 0.12 -3.33 -0.03 0.00 -1.10 0.00 0.00 41.96 37.62 2k6h s TYR 19 CO 0.87 -1.75 1.33 -2.14 -2.51 0.00 0.00 175.55 171.36 2k6h s PRO 20 N -3.38 2.92 0.40 -3.49 0.02 -1.26 -4.93 135.00 125.27 2k6h s PRO 20 Ca 0.73 2.17 0.13 0.00 0.02 0.00 0.00 61.00 64.05 2k6h s PRO 20 Cb -0.25 -2.10 0.82 0.00 0.02 0.00 0.00 34.50 32.99 2k6h s PRO 20 CO 0.30 -1.34 1.89 -0.92 -0.33 0.00 0.00 177.00 176.60 2k6h h TYR 21 N 1.11 0.04 -0.75 6.54 3.20 -1.93 -2.31 116.97 122.88 2k6h h TYR 21 Ca -0.51 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.45 2k6h h TYR 21 Cb 1.31 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 39.50 2k6h h TYR 21 CO 0.44 0.31 0.38 1.03 -1.64 0.00 0.00 178.16 178.69 2k6h h SER 22 N 0.04 0.51 -0.54 -2.11 0.87 -1.92 -1.34 113.55 109.06 2k6h h SER 22 Ca 0.00 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 2k6h h SER 22 Cb 0.51 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 2k6h h SER 22 CO 0.04 0.28 0.21 0.00 -0.53 0.00 0.00 176.83 176.84 2k6h h ALA 23 N 1.45 0.70 0.43 6.23 0.00 -1.79 0.57 119.26 126.84 2k6h h ALA 23 Ca 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2k6h h ALA 23 Cb 0.39 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2k6h h ALA 23 CO -0.27 0.31 -0.37 0.35 0.00 0.00 0.00 179.25 179.26 2k6h h PHE 24 N 0.73 -1.01 -0.29 0.00 3.57 -1.34 -0.96 116.94 117.64 2k6h h PHE 24 Ca 0.18 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.71 2k6h h PHE 24 Cb 0.20 0.38 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 2k6h h PHE 24 CO 0.01 -0.53 0.11 0.82 -2.23 0.00 0.00 178.31 176.49 2k6h h ILE 25 N -0.81 0.94 -0.59 1.41 1.08 -1.10 -2.61 117.51 115.83 2k6h h ILE 25 Ca -0.04 -0.09 0.05 0.00 -0.39 0.00 0.00 64.86 64.40 2k6h h ILE 25 Cb 0.71 0.67 -0.05 0.00 -3.07 0.00 0.00 36.82 35.07 2k6h h ILE 25 CO -0.03 0.05 0.30 0.00 -0.69 0.00 0.00 178.15 177.78 2k6h h ALA 26 N 1.18 0.77 0.48 1.87 0.00 -0.76 -0.22 119.26 122.57 2k6h h ALA 26 Ca 0.13 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2k6h h ALA 26 Cb 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2k6h h ALA 26 CO -0.12 -0.04 -0.41 1.03 0.00 0.00 0.00 179.25 179.71 2k6h h SER 27 N 0.58 -1.10 -0.30 0.00 0.87 -0.79 0.70 113.55 113.51 2k6h h SER 27 Ca 0.26 0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 60.82 2k6h h SER 27 Cb 0.17 0.36 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 2k6h h SER 27 CO -0.18 -0.58 -0.11 1.62 -0.53 0.00 0.00 176.83 177.05 2k6h h VAL 28 N -0.89 1.25 -0.37 2.23 3.04 -1.40 -2.95 116.25 117.17 2k6h h VAL 28 Ca -0.05 -1.13 -0.02 0.00 -1.01 0.00 0.00 66.70 64.49 2k6h h VAL 28 Cb 0.77 1.06 -0.02 0.00 -2.01 0.00 0.00 31.29 31.09 2k6h h VAL 28 CO -0.03 0.38 0.14 -0.09 -1.01 0.00 0.00 177.57 176.97 2k6h h ARG 29 N 0.65 0.57 -0.53 4.17 2.43 -0.74 -1.76 114.38 119.17 2k6h h ARG 29 Ca 0.11 -0.11 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 2k6h h ARG 29 Cb 0.56 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 2k6h h ARG 29 CO 0.03 0.56 0.35 0.87 -1.51 0.00 0.00 179.97 180.27 2k6h h LYS 30 N 0.46 0.44 0.05 0.20 1.79 -0.75 -1.60 116.57 117.15 2k6h h LYS 30 Ca 0.12 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2k6h h LYS 30 Cb 0.21 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 2k6h h LYS 30 CO -0.01 0.29 -0.02 0.22 -1.08 0.00 0.00 179.45 178.85 2k6h h ASP 31 N 0.45 -0.05 0.54 0.86 1.82 -1.24 -3.24 116.42 115.56 2k6h h ASP 31 Ca 0.23 -0.44 -0.00 0.00 -0.39 0.00 0.00 57.03 56.43 2k6h h ASP 31 Cb 0.34 0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.36 2k6h h ASP 31 CO -0.06 0.43 -0.01 1.62 -1.61 0.00 0.00 179.24 179.61 2k6h h VAL 32 N -0.56 0.03 -0.01 2.25 3.04 -0.77 -0.51 116.25 119.74 2k6h h VAL 32 Ca -0.01 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 2k6h h VAL 32 Cb 0.50 1.28 -0.00 0.00 -2.01 0.00 0.00 31.29 31.05 2k6h h VAL 32 CO 0.01 0.01 0.02 0.40 -1.01 0.00 0.00 177.57 176.99 2k6h h ILE 33 N 0.00 0.25 0.00 3.17 2.04 -1.33 0.23 117.51 121.87 2k6h h ILE 33 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2k6h h ILE 33 Cb 0.28 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 2k6h h ILE 33 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 178.15 178.26 2k6h h LYS 34 N 0.00 0.00 0.00 2.37 1.57 -1.22 -3.31 116.57 115.98 2k6h h LYS 34 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 2k6h h LYS 34 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2k6h h LYS 34 CO -0.00 0.00 -1.25 0.72 -0.57 0.00 0.00 179.45 178.35 2k6h n HIS 35 N -3.08 0.00 -1.51 -1.35 8.25 -0.01 -5.03 115.22 112.48 2k6h n HIS 35 Ca -0.01 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.18 2k6h n HIS 35 Cb 0.20 -0.16 0.20 0.00 1.12 0.00 0.00 29.99 31.36 2k6h n HIS 35 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k6h n THR 37 N -4.07 0.00 -4.31 0.00 -1.04 -0.60 -4.97 114.28 99.29 2k6h n THR 37 Ca 0.15 -2.41 -0.18 0.00 -2.04 0.00 0.00 64.05 59.57 2k6h n THR 37 Cb 0.53 0.91 -0.14 0.00 -1.82 0.00 0.00 70.33 69.81 2k6h n THR 37 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 2k6h s ASP 38 N -3.51 1.06 -0.37 8.00 -4.77 -1.26 -0.54 116.67 115.28 2k6h s ASP 38 Ca 0.23 -0.23 -0.13 0.00 -3.30 0.00 0.00 52.55 49.12 2k6h s ASP 38 Cb 0.01 -0.09 0.00 0.00 -1.09 0.00 0.00 42.92 41.75 2k6h s ASP 38 CO 0.16 0.06 0.25 -2.28 0.70 0.00 0.00 175.17 174.07 2k6h s HIS 39 N -0.41 3.23 0.09 2.11 2.46 -1.26 -4.94 115.29 116.57 2k6h s HIS 39 Ca 0.02 -0.43 -0.32 0.00 0.47 0.00 0.00 55.06 54.80 2k6h s HIS 39 Cb -0.05 -2.51 -0.11 0.00 -0.13 0.00 0.00 32.58 29.79 2k6h s HIS 39 CO -0.00 -0.47 1.84 1.63 -2.47 0.00 0.00 174.74 175.27 2k6h n LYS 40 N 5.11 2.68 0.00 2.88 4.01 -1.26 -0.80 118.16 130.78 2k6h n LYS 40 Ca -0.12 0.98 0.00 0.00 -0.51 0.00 0.00 58.31 58.66 2k6h n LYS 40 Cb 0.48 -2.86 0.00 0.00 -0.51 0.00 0.00 35.03 32.14 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 4.24 1.88 3.26 0.72 0.00 -1.26 -5.04 105.19 108.98 2k6h n GLY 41 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.13 2.42 0.01 -0.61 1.01 0.02 -4.29 121.20 117.64 2k6h s ILE 42 Ca 0.00 -0.88 -0.25 0.00 0.00 0.00 0.00 60.65 59.52 2k6h s ILE 42 Cb 0.00 -1.97 -0.17 0.00 0.01 0.00 0.00 42.46 40.33 2k6h s ILE 42 CO 0.00 0.54 1.25 0.15 0.00 0.00 0.00 174.94 176.89 2k6h h PHE 43 N 6.90 -0.36 -4.11 3.97 3.57 -1.95 -3.42 116.94 121.55 2k6h h PHE 43 Ca -0.25 -0.01 -0.53 0.00 3.53 0.00 0.00 57.97 60.71 2k6h h PHE 43 Cb 1.22 0.12 0.11 0.00 2.79 0.00 0.00 35.95 40.19 2k6h h PHE 43 CO 0.48 -0.03 0.46 1.14 -2.23 0.00 0.00 178.31 178.14 2k6h s GLN 44 N -4.70 2.93 1.04 1.11 -2.07 -1.26 -5.03 119.66 111.69 2k6h s GLN 44 Ca -0.14 1.80 -0.12 0.00 -1.82 0.00 0.00 55.36 55.07 2k6h s GLN 44 Cb 0.02 -1.93 0.21 0.00 -1.09 0.00 0.00 33.01 30.23 2k6h s GLN 44 CO 0.55 -1.23 1.08 -1.25 -1.32 0.00 0.00 175.29 173.12 2k6h s PRO 45 N -3.39 0.08 0.03 9.60 0.04 -1.25 -4.67 135.00 135.43 2k6h s PRO 45 Ca 0.77 0.63 0.02 0.00 0.04 0.00 0.00 61.00 62.46 2k6h s PRO 45 Cb -0.30 -1.69 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 2k6h s PRO 45 CO 0.34 -2.99 -0.08 0.08 0.04 0.00 0.00 177.00 174.38 2k6h s VAL 46 N -2.82 0.59 0.55 -0.36 1.01 0.30 -3.20 120.40 116.47 2k6h s VAL 46 Ca 0.66 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 61.69 2k6h s VAL 46 Cb -0.20 -0.59 -0.06 0.00 0.00 0.00 0.00 36.38 35.53 2k6h s VAL 46 CO 0.59 -0.14 1.07 -0.76 0.00 0.00 0.00 175.10 175.86 2k6h s LEU 47 N -1.00 3.67 1.04 3.92 1.43 -0.46 -1.56 118.68 125.72 2k6h s LEU 47 Ca -0.04 1.94 -0.12 0.00 -1.03 0.00 0.00 54.13 54.89 2k6h s LEU 47 Cb -0.07 -4.55 0.21 0.00 0.03 0.00 0.00 46.19 41.80 2k6h s LEU 47 CO 0.00 -1.07 1.03 -2.65 0.23 0.00 0.00 176.35 173.90 2k6h n PRO 48 N -1.51 -1.38 -1.88 1.29 -0.02 -1.26 -3.40 135.00 126.84 2k6h n PRO 48 Ca 0.10 -0.35 -0.41 0.00 -2.02 0.00 0.00 63.50 60.81 2k6h n PRO 48 Cb 0.52 -2.25 -0.01 0.00 -0.02 0.00 0.00 33.50 31.75 2k6h n PRO 48 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2k6h s PRO 49 N -4.46 4.15 0.20 0.52 0.04 -1.26 -4.44 135.00 129.75 2k6h s PRO 49 Ca 0.67 2.48 -0.30 0.00 0.04 0.00 0.00 61.00 63.89 2k6h s PRO 49 Cb -0.24 -2.98 -0.08 0.00 0.04 0.00 0.00 34.50 31.24 2k6h s PRO 49 CO 0.62 -0.46 1.24 -2.00 0.04 0.00 0.00 177.00 176.44 2k6h s GLU 50 N -2.04 4.45 0.57 4.56 2.12 -1.26 -5.06 118.70 122.04 2k6h s GLU 50 Ca 0.52 1.95 0.07 0.00 0.36 0.00 0.00 54.97 57.87 2k6h s GLU 50 Cb -0.45 -3.22 0.07 0.00 0.26 0.00 0.00 34.13 30.79 2k6h s GLU 50 CO 0.60 -0.14 0.60 0.15 -0.54 0.00 0.00 175.26 175.93 2k6h s LYS 51 N -0.28 2.26 -0.15 4.30 3.01 -1.26 -5.07 119.74 122.54 2k6h s LYS 51 Ca 0.54 -1.87 0.14 0.00 -1.01 0.00 0.00 55.97 53.77 2k6h s LYS 51 Cb -0.34 -2.35 0.36 0.00 -1.01 0.00 0.00 37.83 34.48 2k6h s LYS 51 CO 0.38 -0.77 1.18 1.17 0.51 0.00 0.00 175.35 177.82 2k6h n LYS 52 N -2.02 1.21 -3.45 1.68 4.81 -1.26 -4.88 118.16 114.24 2k6h n LYS 52 Ca 0.07 -2.79 -0.27 0.00 -0.87 0.00 0.00 58.31 54.44 2k6h n LYS 52 Cb 0.63 -1.32 -0.10 0.00 0.02 0.00 0.00 35.03 34.26 2k6h n LYS 52 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2k6h s VAL 53 N -2.54 0.59 0.85 3.15 -7.23 -1.26 -5.14 120.40 108.82 2k6h s VAL 53 Ca 0.33 -2.71 -0.12 0.00 -1.81 0.00 0.00 61.98 57.67 2k6h s VAL 53 Cb 0.32 -1.42 0.10 0.00 0.56 0.00 0.00 36.38 35.95 2k6h s VAL 53 CO -0.05 -1.18 1.13 -2.65 -0.31 0.00 0.00 175.10 172.04 2k6h n PRO 54 N 2.89 -0.07 -0.11 4.82 -0.02 -1.26 -5.00 135.00 136.25 2k6h n PRO 54 Ca 0.27 0.05 -0.21 0.00 -2.02 0.00 0.00 63.50 61.59 2k6h n PRO 54 Cb 0.45 -2.38 -0.07 0.00 -0.02 0.00 0.00 33.50 31.49 2k6h n PRO 54 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2k6h n GLU 55 N -3.50 0.48 -4.17 -0.52 0.00 -1.26 -5.04 120.64 106.62 2k6h n GLU 55 Ca 0.13 0.21 -0.11 0.00 0.00 0.00 0.00 57.16 57.38 2k6h n GLU 55 Cb 0.51 -1.31 -0.10 0.00 0.00 0.00 0.00 31.44 30.55 2k6h n GLU 55 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.13 176.65 2k6h s LEU 56 N -7.36 1.27 0.28 4.31 0.05 -1.26 -4.97 118.68 111.00 2k6h s LEU 56 Ca -0.31 -1.30 -0.15 0.00 0.05 0.00 0.00 54.13 52.42 2k6h s LEU 56 Cb 0.10 0.46 0.01 0.00 -2.05 0.00 0.00 46.19 44.72 2k6h s LEU 56 CO 0.40 -0.83 0.60 -1.66 -0.55 0.00 0.00 176.35 174.31 2k6h s TRP 57 N -4.11 0.18 -0.70 3.48 1.48 -1.26 -4.67 118.94 113.33 2k6h s TRP 57 Ca 0.33 -0.60 -0.15 0.00 -1.06 0.00 0.00 56.10 54.62 2k6h s TRP 57 Cb 0.07 0.44 0.17 0.00 -1.16 0.00 0.00 33.47 32.99 2k6h s TRP 57 CO 0.09 -1.16 0.66 -0.51 -4.06 0.00 0.00 176.95 171.97 2k6h s LEU 58 N -3.00 6.41 -0.16 -4.66 1.43 -0.56 -4.93 118.68 113.21 2k6h s LEU 58 Ca 0.18 -2.24 -0.29 0.00 -1.03 0.00 0.00 54.13 50.75 2k6h s LEU 58 Cb -0.03 -2.22 -0.01 0.00 0.03 0.00 0.00 46.19 43.96 2k6h s LEU 58 CO 0.09 -0.73 1.19 -0.31 0.23 0.00 0.00 176.35 176.82 2k6h s TYR 59 N 0.95 3.04 -0.11 0.29 2.02 -1.26 -0.91 117.35 121.37 2k6h s TYR 59 Ca 0.12 1.17 -0.00 0.00 -0.37 0.00 0.00 57.07 57.99 2k6h s TYR 59 Cb -0.19 -3.42 0.02 0.00 -0.40 0.00 0.00 41.96 37.97 2k6h s TYR 59 CO -0.03 -1.29 -0.08 0.99 -1.57 0.00 0.00 175.55 173.57 2k6h s THR 60 N 3.16 1.03 -0.19 -0.71 2.01 -0.39 -2.10 115.64 118.45 2k6h s THR 60 Ca 0.52 -0.30 -0.03 0.00 0.31 0.00 0.00 61.69 62.19 2k6h s THR 60 Cb -0.20 -1.05 -0.01 0.00 0.01 0.00 0.00 72.50 71.25 2k6h s THR 60 CO 0.14 0.37 -0.05 -0.70 -0.69 0.00 0.00 174.62 173.69 2k6h s GLU 61 N 1.63 3.46 -0.28 4.92 2.12 0.14 -0.98 118.70 129.71 2k6h s GLU 61 Ca 0.04 -0.60 -0.11 0.00 0.36 0.00 0.00 54.97 54.66 2k6h s GLU 61 Cb -0.13 -2.95 -0.04 0.00 0.26 0.00 0.00 34.13 31.27 2k6h s GLU 61 CO -0.07 -0.04 0.18 -0.51 -0.54 0.00 0.00 175.26 174.28 2k6h s LEU 62 N 1.07 3.98 -0.34 2.70 2.01 -1.10 -1.63 118.68 125.38 2k6h s LEU 62 Ca 0.01 -0.08 -0.08 0.00 0.01 0.00 0.00 54.13 53.99 2k6h s LEU 62 Cb -0.15 -2.09 0.03 0.00 0.01 0.00 0.00 46.19 43.99 2k6h s LEU 62 CO -0.00 -0.06 0.13 -0.75 1.01 0.00 0.00 176.35 176.68 2k6h s LYS 63 N 1.74 2.82 0.93 1.70 2.20 -0.38 -2.98 119.74 125.77 2k6h s LYS 63 Ca 0.07 -1.05 -0.14 0.00 -0.36 0.00 0.00 55.97 54.48 2k6h s LYS 63 Cb -0.16 -3.53 0.16 0.00 -1.51 0.00 0.00 37.83 32.79 2k6h s LYS 63 CO 0.10 -0.61 1.20 0.95 -0.36 0.00 0.00 175.35 176.63 2k6h s THR 64 N 1.48 1.96 0.18 3.43 -4.23 0.45 -3.03 115.64 115.88 2k6h s THR 64 Ca 0.01 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.39 2k6h s THR 64 Cb -0.19 -2.87 0.10 0.00 1.34 0.00 0.00 72.50 70.89 2k6h s THR 64 CO 0.04 0.00 1.72 -0.09 -0.54 0.00 0.00 174.62 175.75 2k6h h ARG 65 N -1.54 0.24 -0.09 3.99 2.43 -1.99 -3.24 114.38 114.19 2k6h h ARG 65 Ca -0.47 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.63 2k6h h ARG 65 Cb 1.30 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2k6h h ARG 65 CO 0.53 0.16 -0.18 1.79 -1.51 0.00 0.00 179.97 180.76 2k6h h THR 66 N 0.25 1.40 -3.83 0.20 1.35 -1.99 -3.49 112.91 106.80 2k6h h THR 66 Ca 0.24 -1.47 -0.11 0.00 -0.55 0.00 0.00 66.41 64.53 2k6h h THR 66 Cb 0.31 2.14 -0.10 0.00 -1.73 0.00 0.00 68.15 68.78 2k6h h THR 66 CO -0.31 0.42 -0.19 -0.44 -0.25 0.00 0.00 175.52 174.75 2k6h s SER 67 N -6.15 0.06 0.01 5.36 0.01 -1.22 -5.11 113.70 106.65 2k6h s SER 67 Ca -0.15 -1.07 -0.05 0.00 1.31 0.00 0.00 55.95 56.00 2k6h s SER 67 Cb 0.04 0.57 -0.01 0.00 0.21 0.00 0.00 66.02 66.83 2k6h s SER 67 CO 0.75 -1.13 0.08 -0.44 0.41 0.00 0.00 173.24 172.91 2k6h s SER 68 N -3.07 0.09 -0.04 2.44 0.01 -1.26 -0.42 113.70 111.46 2k6h s SER 68 Ca 0.26 -0.29 -0.04 0.00 1.31 0.00 0.00 55.95 57.19 2k6h s SER 68 Cb 0.00 0.17 0.01 0.00 0.21 0.00 0.00 66.02 66.41 2k6h s SER 68 CO 0.11 -0.33 0.12 0.27 0.41 0.00 0.00 173.24 173.82 2k6h s ILE 69 N -1.33 0.00 -0.48 1.44 -4.36 -1.16 -4.48 121.20 110.82 2k6h s ILE 69 Ca -0.14 -0.02 -0.13 0.00 -0.26 0.00 0.00 60.65 60.10 2k6h s ILE 69 Cb -0.08 -0.18 0.10 0.00 1.25 0.00 0.00 42.46 43.56 2k6h s ILE 69 CO 0.01 -0.01 0.39 -0.89 0.24 0.00 0.00 174.94 174.68 2k6h s THR 70 N 0.03 4.79 0.45 8.37 2.01 -1.16 -2.70 115.64 127.43 2k6h s THR 70 Ca -0.00 -1.45 -0.20 0.00 0.31 0.00 0.00 61.69 60.35 2k6h s THR 70 Cb -0.01 -4.01 -0.10 0.00 0.01 0.00 0.00 72.50 68.38 2k6h s THR 70 CO 0.00 -0.71 0.95 -1.48 -0.69 0.00 0.00 174.62 172.69 2k6h s LEU 71 N 1.52 3.88 -0.28 4.42 2.34 -0.15 -0.39 118.68 130.02 2k6h s LEU 71 Ca 0.04 1.65 0.00 0.00 0.06 0.00 0.00 54.13 55.89 2k6h s LEU 71 Cb -0.26 -4.52 0.08 0.00 -0.56 0.00 0.00 46.19 40.93 2k6h s LEU 71 CO 0.03 -0.40 0.03 0.00 -1.06 0.00 0.00 176.35 174.94 2k6h s ALA 72 N -2.27 1.85 -0.33 1.48 0.00 -0.63 -1.26 121.76 120.60 2k6h s ALA 72 Ca 0.61 -1.59 -0.17 0.00 0.00 0.00 0.00 51.96 50.81 2k6h s ALA 72 Cb -0.09 -1.56 -0.01 0.00 0.00 0.00 0.00 23.12 21.45 2k6h s ALA 72 CO 0.17 -1.45 0.46 0.42 0.00 0.00 0.00 175.76 175.36 2k6h s ILE 73 N 1.45 5.08 -0.27 0.00 -1.09 -0.09 -2.91 121.20 123.37 2k6h s ILE 73 Ca 0.03 0.33 -0.29 0.00 -2.23 0.00 0.00 60.65 58.49 2k6h s ILE 73 Cb -0.18 -3.88 -0.02 0.00 -1.58 0.00 0.00 42.46 36.80 2k6h s ILE 73 CO -0.14 -0.12 1.60 -0.60 -1.23 0.00 0.00 174.94 174.46 2k6h s ARG 74 N 2.25 3.69 0.53 2.79 3.52 0.10 -1.50 118.95 130.34 2k6h s ARG 74 Ca 0.17 1.50 0.19 0.00 -0.13 0.00 0.00 55.73 57.46 2k6h s ARG 74 Cb -0.16 -4.05 1.36 0.00 -1.56 0.00 0.00 34.95 30.54 2k6h s ARG 74 CO 0.12 -1.42 2.14 0.00 -0.81 0.00 0.00 175.30 175.34 2k6h h MET 75 N 11.01 0.00 0.00 5.12 -0.00 -1.87 0.13 114.93 129.32 2k6h h MET 75 Ca -0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.37 2k6h h MET 75 Cb 1.15 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.74 2k6h h MET 75 CO 1.02 0.00 -0.05 -0.44 -0.00 0.00 0.00 176.91 177.44 2k6h h ASP 76 N 0.00 0.00 0.00 -0.10 5.19 -1.90 -2.82 116.42 116.78 2k6h h ASP 76 Ca 0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 2k6h h ASP 76 Cb 0.13 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.64 2k6h h ASP 76 CO -0.00 0.05 0.00 0.59 -3.12 0.00 0.00 179.24 176.75 2k6h n ASN 77 N -3.61 0.24 -4.28 6.45 5.03 -0.96 -4.85 115.26 113.28 2k6h n ASN 77 Ca -0.02 -0.58 -0.31 0.00 0.87 0.00 0.00 54.58 54.53 2k6h n ASN 77 Cb 0.15 0.33 -0.09 0.00 -1.02 0.00 0.00 39.78 39.15 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 -0.33 -1.15 -4.39 3.41 4.77 0.40 -4.98 117.00 114.74 2k6h n LEU 78 Ca 0.00 -1.24 -0.22 0.00 -0.03 0.00 0.00 56.01 54.53 2k6h n LEU 78 Cb 0.05 -1.69 -0.10 0.00 -2.33 0.00 0.00 43.42 39.34 2k6h n LEU 78 CO 0.00 0.45 -0.47 -0.47 -1.33 0.00 0.00 177.39 175.57 2k6h s TYR 79 N -4.27 1.96 -0.59 -1.77 5.04 -1.14 -4.83 117.35 111.75 2k6h s TYR 79 Ca 0.04 -0.46 -0.20 0.00 -2.44 0.00 0.00 57.07 54.02 2k6h s TYR 79 Cb -0.03 -0.91 0.08 0.00 0.35 0.00 0.00 41.96 41.46 2k6h s TYR 79 CO 0.98 0.48 0.77 -1.17 -1.34 0.00 0.00 175.55 175.27 2k6h s LEU 80 N -3.17 4.94 0.10 6.97 0.20 -1.26 -0.72 118.68 125.73 2k6h s LEU 80 Ca 0.23 -1.13 0.13 0.00 0.69 0.00 0.00 54.13 54.05 2k6h s LEU 80 Cb -0.04 -2.40 -0.14 0.00 -0.43 0.00 0.00 46.19 43.18 2k6h s LEU 80 CO 0.10 -1.16 1.03 -0.37 -0.29 0.00 0.00 176.35 175.65 2k6h h VAL 81 N 5.93 0.97 -1.82 1.68 -1.51 -1.92 -3.47 116.25 116.12 2k6h h VAL 81 Ca -0.29 -2.59 0.16 0.00 -1.23 0.00 0.00 66.70 62.75 2k6h h VAL 81 Cb 1.08 2.42 -0.03 0.00 -2.13 0.00 0.00 31.29 32.64 2k6h h VAL 81 CO 1.09 0.56 0.44 0.61 -1.23 0.00 0.00 177.57 179.03 2k6h n GLY 82 N 1.39 0.57 3.24 5.19 0.00 -1.25 -1.50 105.19 112.83 2k6h n GLY 82 Ca -0.06 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 2k6h n GLY 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2k6h s PHE 83 N -2.95 0.25 -0.20 1.61 -0.71 -0.62 -1.60 117.98 113.76 2k6h s PHE 83 Ca 0.15 -0.66 -0.17 0.00 -1.04 0.00 0.00 56.93 55.21 2k6h s PHE 83 Cb -0.01 -0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 2k6h s PHE 83 CO 0.01 -0.59 0.45 0.50 -1.34 0.00 0.00 175.22 174.25 2k6h s ARG 84 N -3.90 4.18 0.61 1.99 3.52 0.48 -1.20 118.95 124.62 2k6h s ARG 84 Ca 0.09 0.30 -0.13 0.00 -0.13 0.00 0.00 55.73 55.86 2k6h s ARG 84 Cb 0.05 -3.55 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 2k6h s ARG 84 CO -0.08 -0.09 1.03 0.95 -0.81 0.00 0.00 175.30 176.30 2k6h s THR 85 N 1.46 4.44 -1.16 4.11 -4.23 -0.45 -2.96 115.64 116.86 2k6h s THR 85 Ca 0.21 0.92 0.17 0.00 -1.18 0.00 0.00 61.69 61.81 2k6h s THR 85 Cb -0.15 -3.69 0.19 0.00 1.34 0.00 0.00 72.50 70.19 2k6h s THR 85 CO 0.09 -0.91 1.52 -0.81 -0.54 0.00 0.00 174.62 173.96 2k6h n PRO 86 N -2.46 0.09 0.00 3.99 -0.04 -1.26 -1.34 135.00 133.97 2k6h n PRO 86 Ca 0.07 0.18 0.04 0.00 -0.04 0.00 0.00 63.50 63.75 2k6h n PRO 86 Cb 0.54 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.69 2k6h n PRO 86 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k6h n GLY 87 N 0.18 -0.70 1.35 0.55 0.00 -1.26 -4.89 105.19 100.41 2k6h n GLY 87 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.61 0.51 3.21 -0.02 0.00 -0.45 -5.08 105.19 102.73 2k6h n GLY 88 Ca 0.03 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.03 0.13 -0.04 1.61 0.11 -1.24 -5.02 120.40 112.91 2k6h s VAL 89 Ca 0.02 -1.52 0.05 0.00 -2.93 0.00 0.00 61.98 57.59 2k6h s VAL 89 Cb -0.01 -1.67 -0.02 0.00 -1.53 0.00 0.00 36.38 33.15 2k6h s VAL 89 CO 0.06 -0.58 -0.17 0.26 -3.33 0.00 0.00 175.10 171.33 2k6h s TRP 90 N -3.94 2.60 0.01 1.54 0.51 -1.26 -1.34 118.94 117.06 2k6h s TRP 90 Ca 0.13 -0.25 0.07 0.00 -2.12 0.00 0.00 56.10 53.92 2k6h s TRP 90 Cb 0.06 -1.60 -0.02 0.00 -0.81 0.00 0.00 33.47 31.10 2k6h s TRP 90 CO -0.05 0.11 -0.21 -1.58 -0.51 0.00 0.00 176.95 174.72 2k6h s TRP 91 N -0.66 1.82 -0.00 -1.98 0.52 -0.35 -3.54 118.94 114.75 2k6h s TRP 91 Ca 0.10 -0.36 0.08 0.00 0.02 0.00 0.00 56.10 55.94 2k6h s TRP 91 Cb -0.11 -1.13 -0.02 0.00 -1.15 0.00 0.00 33.47 31.06 2k6h s TRP 91 CO 0.00 0.03 -0.25 -2.00 0.02 0.00 0.00 176.95 174.75 2k6h s GLU 92 N -0.81 1.91 0.73 4.98 2.12 -0.69 -1.59 118.70 125.36 2k6h s GLU 92 Ca 0.08 -0.93 -0.11 0.00 0.36 0.00 0.00 54.97 54.37 2k6h s GLU 92 Cb -0.08 -1.91 0.03 0.00 0.26 0.00 0.00 34.13 32.43 2k6h s GLU 92 CO 0.00 0.52 1.07 -0.06 -0.54 0.00 0.00 175.26 176.25 2k6h s PHE 93 N -0.64 2.94 0.00 5.30 0.08 -0.56 -1.06 117.98 124.05 2k6h s PHE 93 Ca 0.10 1.41 0.00 0.00 0.12 0.00 0.00 56.93 58.56 2k6h s PHE 93 Cb -0.10 -2.95 0.00 0.00 -0.57 0.00 0.00 43.02 39.40 2k6h s PHE 93 CO -0.00 -1.45 0.00 0.41 -0.10 0.00 0.00 175.22 174.08 2k6h n GLY 94 N -1.81 -1.71 3.37 4.36 0.00 -1.25 -4.78 105.19 103.35 2k6h n GLY 94 Ca 0.08 -1.29 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 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 1.11 -1.09 1.61 2.20 -1.26 -2.31 119.74 120.00 2k6h s LYS 95 Ca 0.00 -0.46 -0.23 0.00 -0.36 0.00 0.00 55.97 54.92 2k6h s LYS 95 Cb 0.00 0.50 0.03 0.00 -1.51 0.00 0.00 37.83 36.85 2k6h s LYS 95 CO 0.00 -0.44 0.68 -3.47 -0.36 0.00 0.00 175.35 171.76 2k6h n ASP 96 N -0.02 -4.55 0.00 1.43 2.03 -1.26 -4.80 116.55 109.38 2k6h n ASP 96 Ca -0.17 -1.16 0.00 0.00 0.52 0.00 0.00 54.79 53.98 2k6h n ASP 96 Cb 0.63 -1.93 0.00 0.00 -0.72 0.00 0.00 41.12 39.09 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 -1.92 -1.36 3.58 0.27 0.00 -1.26 -5.18 105.19 99.32 2k6h n GLY 97 Ca -0.16 0.45 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 -0.41 0.16 1.61 -4.77 -1.26 -4.99 116.67 107.01 2k6h s ASP 98 Ca 0.00 -0.20 -0.00 0.00 -3.30 0.00 0.00 52.55 49.05 2k6h s ASP 98 Cb 0.00 0.57 -0.04 0.00 -1.09 0.00 0.00 42.92 42.36 2k6h s ASP 98 CO 0.00 -0.98 0.05 -0.89 0.70 0.00 0.00 175.17 174.05 2k6h s THR 99 N -3.61 0.29 -0.52 2.11 2.01 -1.26 -5.06 115.64 109.60 2k6h s THR 99 Ca 0.06 -1.95 -0.07 0.00 0.31 0.00 0.00 61.69 60.04 2k6h s THR 99 Cb -0.02 -2.16 -0.20 0.00 0.01 0.00 0.00 72.50 70.13 2k6h s THR 99 CO -0.06 -0.38 3.39 0.00 -0.69 0.00 0.00 174.62 176.88 2k6h n HIS 100 N -0.18 0.82 -0.02 4.92 1.44 -1.26 -4.53 115.22 116.41 2k6h n HIS 100 Ca -0.05 -2.02 -0.16 0.00 -2.01 0.00 0.00 57.72 53.49 2k6h n HIS 100 Cb 0.64 -1.87 -0.12 0.00 0.12 0.00 0.00 29.99 28.76 2k6h n HIS 100 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2k6h h LEU 101 N 5.58 0.23 -7.54 2.39 7.12 -1.97 -3.42 115.31 117.71 2k6h h LEU 101 Ca 0.41 -0.84 -0.46 0.00 0.13 0.00 0.00 57.88 57.12 2k6h h LEU 101 Cb 1.10 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 41.14 2k6h h LEU 101 CO 0.74 1.04 1.56 0.18 -0.13 0.00 0.00 178.44 181.83 2k6h n LEU 102 N -4.46 3.63 0.00 2.25 7.99 -1.26 -4.83 117.00 120.33 2k6h n LEU 102 Ca -0.10 -3.22 0.00 0.00 -0.01 0.00 0.00 56.01 52.68 2k6h n LEU 102 Cb 0.55 -1.58 0.00 0.00 -0.11 0.00 0.00 43.42 42.28 2k6h n LEU 102 CO 0.40 -1.17 0.00 0.61 -1.51 0.00 0.00 177.39 175.72 2k6h n GLY 103 N 5.38 1.01 0.00 -0.72 0.00 -1.26 -4.28 105.19 105.32 2k6h n GLY 103 Ca 0.47 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.85 2k6h n GLY 103 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k6h n ASP 104 N 7.30 -0.25 -4.64 1.61 2.03 -1.26 -4.80 116.55 116.54 2k6h n ASP 104 Ca 0.00 -0.35 -0.42 0.00 0.52 0.00 0.00 54.79 54.53 2k6h n ASP 104 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 2k6h n ASP 104 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2k6h s ASN 105 N -1.26 6.22 1.22 1.67 2.20 -1.26 -4.66 114.94 119.06 2k6h s ASN 105 Ca 0.00 2.40 -0.17 0.00 -0.94 0.00 0.00 52.86 54.15 2k6h s ASN 105 Cb 0.00 -2.53 0.29 0.00 -2.00 0.00 0.00 41.25 37.02 2k6h s ASN 105 CO 0.00 -1.27 1.04 -2.84 -2.94 0.00 0.00 177.10 171.08 2k6h s PRO 106 N 4.90 -1.32 0.02 3.55 0.02 -1.26 -4.97 135.00 135.93 2k6h s PRO 106 Ca 0.89 0.32 0.05 0.00 0.02 0.00 0.00 61.00 62.28 2k6h s PRO 106 Cb -0.39 -1.55 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 2k6h s PRO 106 CO 0.39 -3.86 -0.15 -0.98 -0.33 0.00 0.00 177.00 172.06 2k6h s ARG 107 N -4.99 1.10 -0.00 5.54 1.70 -1.23 -5.01 118.95 116.07 2k6h s ARG 107 Ca 0.69 -0.70 -0.25 0.00 -0.47 0.00 0.00 55.73 54.99 2k6h s ARG 107 Cb -0.16 -1.11 -0.04 0.00 -0.57 0.00 0.00 34.95 33.06 2k6h s ARG 107 CO 0.59 0.29 0.79 -1.58 -1.08 0.00 0.00 175.30 174.31 2k6h s TRP 108 N -0.66 3.66 -0.75 5.89 0.51 -1.26 -1.70 118.94 124.63 2k6h s TRP 108 Ca 0.04 1.44 0.23 0.00 -2.12 0.00 0.00 56.10 55.69 2k6h s TRP 108 Cb -0.07 -2.88 0.90 0.00 -0.81 0.00 0.00 33.47 30.61 2k6h s TRP 108 CO 0.01 0.15 1.71 1.28 -0.51 0.00 0.00 176.95 179.59 2k6h n LEU 109 N 3.37 0.44 0.00 2.99 4.77 -0.22 -4.92 117.00 123.43 2k6h n LEU 109 Ca -0.00 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 2k6h n LEU 109 Cb 0.51 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2k6h n LEU 109 CO 0.48 -0.30 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 2k6h n GLY 110 N 0.58 1.85 0.21 -0.72 0.00 -0.98 -4.80 105.19 101.33 2k6h n GLY 110 Ca 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 2k6h n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2k6h n PHE 111 N 0.00 0.01 0.00 1.61 3.72 -1.26 -4.02 117.46 117.52 2k6h n PHE 111 Ca 0.00 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 2k6h n PHE 111 Cb 0.00 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 2k6h n PHE 111 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k6h n GLY 112 N 4.65 0.75 0.00 1.37 0.00 -1.26 -3.96 105.19 106.74 2k6h n GLY 112 Ca -0.01 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 1.70 1.36 -0.02 0.00 -1.26 -4.65 105.19 102.32 2k6h n GLY 113 Ca 0.00 -1.69 -0.07 0.00 0.00 0.00 0.00 46.02 44.26 2k6h n GLY 113 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2k6h n ARG 114 N 0.00 0.90 -0.16 1.61 0.00 -1.26 -4.84 116.66 112.91 2k6h n ARG 114 Ca 0.00 -1.10 0.24 0.00 -0.00 0.00 0.00 57.85 56.98 2k6h n ARG 114 Cb 0.00 -0.06 0.64 0.00 -0.00 0.00 0.00 32.46 33.04 2k6h n ARG 114 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 2k6h h TYR 115 N 0.09 0.19 -0.52 2.89 0.05 -1.91 0.22 116.97 117.99 2k6h h TYR 115 Ca -0.10 0.01 0.10 0.00 0.05 0.00 0.00 58.73 58.79 2k6h h TYR 115 Cb 0.44 -0.06 -0.08 0.00 1.01 0.00 0.00 36.73 38.04 2k6h h TYR 115 CO 0.00 0.05 0.03 0.37 -1.05 0.00 0.00 178.16 177.56 2k6h h GLN 116 N 0.14 0.14 -0.15 4.88 4.15 -1.86 -0.16 115.11 122.24 2k6h h GLN 116 Ca 0.40 -0.01 -0.21 0.00 0.77 0.00 0.00 58.65 59.61 2k6h h GLN 116 Cb 1.38 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 29.05 2k6h h GLN 116 CO -0.06 0.09 -0.74 0.22 -1.93 0.00 0.00 178.83 176.41 2k6h h ASP 117 N 0.14 0.82 0.51 -0.69 3.58 -0.90 -2.89 116.42 116.99 2k6h h ASP 117 Ca 0.27 -0.53 -0.02 0.00 0.42 0.00 0.00 57.03 57.16 2k6h h ASP 117 Cb 0.40 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2k6h h ASP 117 CO -0.42 1.31 -0.24 -0.07 -2.88 0.00 0.00 179.24 176.94 2k6h h LEU 118 N 0.49 -0.58 -0.23 2.28 3.38 -0.77 -3.42 115.31 116.45 2k6h h LEU 118 Ca -0.04 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2k6h h LEU 118 Cb 1.35 0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.25 2k6h h LEU 118 CO 0.15 -0.33 0.00 2.30 0.09 0.00 0.00 178.44 180.64 2k6h n ILE 119 N -4.25 0.01 0.00 1.22 -0.00 -0.47 -4.98 119.36 110.90 2k6h n ILE 119 Ca -0.08 -0.03 0.00 0.00 -0.00 0.00 0.00 62.75 62.63 2k6h n ILE 119 Cb 0.27 1.78 0.00 0.00 -0.00 0.00 0.00 39.64 41.69 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 -0.00 1.73 0.14 3.28 0.00 -0.20 -4.36 105.19 105.78 2k6h n GLY 120 Ca 0.00 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 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 0.74 -4.14 1.61 2.35 -1.88 -3.31 115.58 110.95 2k6h h ASN 121 Ca 0.00 -0.88 -0.48 0.00 -0.55 0.00 0.00 56.30 54.39 2k6h h ASN 121 Cb 0.00 -0.24 0.14 0.00 0.05 0.00 0.00 38.32 38.27 2k6h h ASN 121 CO 0.00 1.70 0.27 -0.54 -1.65 0.00 0.00 177.43 177.22 2k6h s LYS 122 N -2.60 1.47 0.01 0.81 3.01 -1.26 -5.05 119.74 116.12 2k6h s LYS 122 Ca -0.11 0.74 0.00 0.00 -1.01 0.00 0.00 55.97 55.59 2k6h s LYS 122 Cb 0.05 -1.84 -0.00 0.00 -1.01 0.00 0.00 37.83 35.03 2k6h s LYS 122 CO 0.91 -2.08 0.01 0.41 0.51 0.00 0.00 175.35 175.11 2k6h n GLY 123 N -1.45 3.82 0.00 -3.33 0.00 -1.26 -4.78 105.19 98.20 2k6h n GLY 123 Ca 0.07 -1.60 0.02 0.00 0.00 0.00 0.00 46.02 44.51 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 0.22 0.99 -0.00 -1.26 -3.27 117.00 113.67 2k6h n LEU 124 Ca 0.00 0.18 0.14 0.00 -0.00 0.00 0.00 56.01 56.33 2k6h n LEU 124 Cb 0.01 -0.18 0.77 0.00 -0.00 0.00 0.00 43.42 44.02 2k6h n LEU 124 CO 0.01 -0.15 0.94 1.05 -0.00 0.00 0.00 177.39 179.23 2k6h h GLU 125 N 0.00 0.00 0.00 1.47 9.09 -1.93 -2.20 114.58 121.01 2k6h h GLU 125 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2k6h h GLU 125 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.13 2k6h h GLU 125 CO 0.00 0.00 -0.29 0.25 0.05 0.00 0.00 179.01 179.02 2k6h n THR 126 N -2.50 0.22 -4.58 -1.06 -2.24 -1.20 -4.88 114.28 98.04 2k6h n THR 126 Ca -0.02 -0.13 -0.28 0.00 -2.27 0.00 0.00 64.05 61.35 2k6h n THR 126 Cb 0.07 -0.23 -0.17 0.00 -2.10 0.00 0.00 70.33 67.90 2k6h n THR 126 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2k6h s VAL 127 N -3.06 1.52 0.67 2.28 0.11 -0.83 -5.12 120.40 115.96 2k6h s VAL 127 Ca 0.11 -0.67 -0.16 0.00 -2.93 0.00 0.00 61.98 58.33 2k6h s VAL 127 Cb 0.16 -1.37 0.01 0.00 -1.53 0.00 0.00 36.38 33.64 2k6h s VAL 127 CO 0.64 0.44 1.16 -0.89 -3.33 0.00 0.00 175.10 173.12 2k6h s THR 128 N 0.85 2.80 -0.25 5.04 2.01 -1.26 -4.72 115.64 120.10 2k6h s THR 128 Ca -0.09 0.40 0.02 0.00 0.31 0.00 0.00 61.69 62.33 2k6h s THR 128 Cb -0.15 -2.98 0.06 0.00 0.01 0.00 0.00 72.50 69.44 2k6h s THR 128 CO 0.01 -0.20 -0.10 -0.04 -0.69 0.00 0.00 174.62 173.60 2k6h s MET 129 N -3.85 2.10 0.24 4.92 -1.94 0.42 -4.94 119.30 116.24 2k6h s MET 129 Ca 0.72 -1.21 -0.22 0.00 -1.71 0.00 0.00 55.69 53.27 2k6h s MET 129 Cb -0.25 -2.77 0.04 0.00 2.01 0.00 0.00 34.83 33.85 2k6h s MET 129 CO 0.41 -0.55 0.75 0.20 -0.01 0.00 0.00 175.02 175.81 2k6h s GLY 130 N 1.20 -0.19 0.36 -0.03 0.00 -1.26 -1.78 107.32 105.62 2k6h s GLY 130 Ca -0.07 -0.10 0.05 0.00 0.00 0.00 0.00 44.72 44.59 2k6h s GLY 130 CO -0.06 -0.03 1.95 0.07 0.00 0.00 0.00 173.10 175.03 2k6h h ARG 131 N 2.00 0.59 -0.19 2.90 0.11 -1.70 -0.85 114.38 117.24 2k6h h ARG 131 Ca -0.22 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 59.78 2k6h h ARG 131 Cb 1.25 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 32.21 2k6h h ARG 131 CO 0.25 0.50 0.12 0.00 0.10 0.00 0.00 179.97 180.95 2k6h h ALA 132 N 1.58 0.24 -0.32 0.08 0.00 -1.81 0.26 119.26 119.29 2k6h h ALA 132 Ca 0.14 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 2k6h h ALA 132 Cb 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2k6h h ALA 132 CO -0.01 -0.28 -0.37 0.93 0.00 0.00 0.00 179.25 179.51 2k6h h GLU 133 N 0.25 0.74 -0.28 0.00 4.39 -1.62 0.32 114.58 118.39 2k6h h GLU 133 Ca 0.07 -0.37 -0.02 0.00 0.34 0.00 0.00 59.36 59.37 2k6h h GLU 133 Cb -0.03 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2k6h h GLU 133 CO -0.02 0.99 0.08 1.98 -1.16 0.00 0.00 179.01 180.89 2k6h h MET 134 N 0.61 0.44 -0.29 2.33 4.05 -1.00 0.21 114.93 121.28 2k6h h MET 134 Ca 0.06 -0.10 0.03 0.00 -0.28 0.00 0.00 59.70 59.41 2k6h h MET 134 Cb 0.92 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.62 2k6h h MET 134 CO 0.08 0.50 0.11 1.15 0.23 0.00 0.00 176.91 178.99 2k6h h THR 135 N 0.29 0.94 -0.62 -0.77 2.02 -0.75 -0.16 112.91 113.85 2k6h h THR 135 Ca 0.09 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.21 2k6h h THR 135 Cb 0.25 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 2k6h h THR 135 CO -0.00 0.05 0.38 -0.09 0.37 0.00 0.00 175.52 176.22 2k6h h ARG 136 N 0.25 0.73 -0.07 6.66 2.43 -0.72 -0.67 114.38 122.98 2k6h h ARG 136 Ca 0.13 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2k6h h ARG 136 Cb 0.08 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 2k6h h ARG 136 CO -0.12 0.48 0.04 0.00 -1.51 0.00 0.00 179.97 178.87 2k6h h ALA 137 N 1.27 0.09 -0.22 2.80 0.00 -0.41 0.45 119.26 123.25 2k6h h ALA 137 Ca 0.25 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2k6h h ALA 137 Cb 0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2k6h h ALA 137 CO -0.10 -0.39 -0.01 0.28 0.00 0.00 0.00 179.25 179.03 2k6h h VAL 138 N 0.06 0.84 -0.22 0.00 2.07 -0.66 0.36 116.25 118.70 2k6h h VAL 138 Ca 0.03 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2k6h h VAL 138 Cb 0.03 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2k6h h VAL 138 CO -0.01 0.01 0.09 0.78 0.02 0.00 0.00 177.57 178.47 2k6h h ASN 139 N 0.06 0.13 0.26 0.57 2.35 -0.97 -0.69 115.58 117.28 2k6h h ASN 139 Ca 0.10 0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.74 2k6h h ASN 139 Cb 0.13 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 2k6h h ASN 139 CO -0.18 0.10 -0.49 -0.78 -1.65 0.00 0.00 177.43 174.43 2k6h h ASP 140 N 0.21 0.30 0.16 5.81 3.58 -0.60 -2.81 116.42 123.06 2k6h h ASP 140 Ca 0.09 -0.14 -0.21 0.00 0.42 0.00 0.00 57.03 57.19 2k6h h ASP 140 Cb 0.04 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.01 2k6h h ASP 140 CO -0.08 0.74 -0.82 -0.07 -2.88 0.00 0.00 179.24 176.13 2k6h h LEU 141 N 0.22 0.64 -0.59 2.28 3.38 -0.74 -3.33 115.31 117.17 2k6h h LEU 141 Ca 0.01 -0.45 0.07 0.00 0.09 0.00 0.00 57.88 57.60 2k6h h LEU 141 Cb 0.95 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 2k6h h LEU 141 CO 0.08 1.23 0.27 0.00 0.09 0.00 0.00 178.44 180.11 2k6h h ALA 142 N 0.75 0.77 0.00 1.53 0.00 -0.86 -1.20 119.26 120.25 2k6h h ALA 142 Ca -0.06 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k6h h ALA 142 Cb 1.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2k6h h ALA 142 CO 0.15 -0.10 0.00 0.36 0.00 0.00 0.00 179.25 179.65 2k6h n LYS 143 N -4.91 0.06 -2.89 0.00 2.85 -1.18 -4.25 118.16 107.84 2k6h n LYS 143 Ca 0.07 0.27 -0.44 0.00 -1.05 0.00 0.00 58.31 57.17 2k6h n LYS 143 Cb 0.21 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.07 2k6h n LYS 143 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2k6h s LYS 144 N -2.82 3.71 0.15 -1.58 1.02 -0.46 -4.77 119.74 114.99 2k6h s LYS 144 Ca 0.07 -1.88 0.27 0.00 0.02 0.00 0.00 55.97 54.45 2k6h s LYS 144 Cb 0.07 -5.00 0.93 0.00 -0.52 0.00 0.00 37.83 33.30 2k6h s LYS 144 CO 0.17 -1.82 1.81 0.36 -0.92 0.00 0.00 175.35 174.95 2k6h n LYS 145 N 6.62 0.19 -4.23 1.68 2.85 -1.26 -4.85 118.16 119.16 2k6h n LYS 145 Ca 0.28 0.17 -0.13 0.00 -1.05 0.00 0.00 58.31 57.58 2k6h n LYS 145 Cb 0.48 -1.72 -0.10 0.00 -0.65 0.00 0.00 35.03 33.03 2k6h n LYS 145 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2k6h s LYS 146 N -3.08 1.09 0.00 -1.58 2.20 -1.26 -4.98 119.74 112.12 2k6h s LYS 146 Ca 0.11 -1.52 0.08 0.00 -0.36 0.00 0.00 55.97 54.28 2k6h s LYS 146 Cb 0.14 -0.21 0.36 0.00 -1.51 0.00 0.00 37.83 36.61 2k6h s LYS 146 CO 0.57 -0.14 1.19 0.00 -0.36 0.00 0.00 175.35 176.61 2k6h n MET 147 N -0.22 0.05 -1.23 4.03 0.00 -1.26 -4.44 117.12 114.04 2k6h n MET 147 Ca -0.06 0.30 -0.36 0.00 0.00 0.00 0.00 57.70 57.57 2k6h n MET 147 Cb 0.63 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 32.33 2k6h n MET 147 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 2k6h n LEU 148 N -1.41 6.18 -3.08 3.17 7.94 -1.26 -4.45 117.00 124.10 2k6h n LEU 148 Ca 0.03 -3.58 -0.08 0.00 -1.11 0.00 0.00 56.01 51.27 2k6h n LEU 148 Cb 0.08 -1.36 -0.03 0.00 0.53 0.00 0.00 43.42 42.64 2k6h n LEU 148 CO 0.07 0.87 0.00 -0.70 -1.11 0.00 0.00 177.39 176.52 2k6h s GLU 149 N 3.43 0.90 0.11 1.96 2.12 -1.26 -5.01 118.70 120.96 2k6h s GLU 149 Ca 0.53 -0.96 0.27 0.00 0.36 0.00 0.00 54.97 55.17 2k6h s GLU 149 Cb 0.14 -0.32 0.91 0.00 0.26 0.00 0.00 34.13 35.12 2k6h s GLU 149 CO -0.02 -1.28 1.77 -0.35 -0.54 0.00 0.00 175.26 174.84 2k6h n PRO 150 N 3.57 0.15 0.25 4.30 -0.04 -1.26 -4.66 135.00 137.30 2k6h n PRO 150 Ca 0.16 0.11 0.09 0.00 -0.04 0.00 0.00 63.50 63.83 2k6h n PRO 150 Cb 0.53 -1.66 0.64 0.00 -0.04 0.00 0.00 33.50 32.97 2k6h n PRO 150 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2k6h h GLN 151 N 0.00 0.00 -2.38 0.54 3.07 -1.98 -3.37 115.11 111.00 2k6h h GLN 151 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 58.65 58.18 2k6h h GLN 151 Cb 0.64 0.00 -0.37 0.00 0.08 0.00 0.00 27.48 27.82 2k6h h GLN 151 CO 0.00 0.14 -0.89 0.00 0.09 0.00 0.00 178.83 178.16 2k6h s ALA 152 N -4.44 0.98 -1.62 0.06 0.00 -1.26 -4.98 121.76 110.50 2k6h s ALA 152 Ca -0.04 -2.06 0.00 0.00 0.00 0.00 0.00 51.96 49.87 2k6h s ALA 152 Cb 0.15 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.61 2k6h s ALA 152 CO 0.63 -2.05 0.00 -0.25 0.00 0.00 0.00 175.76 174.10 2k6h n ASP 153 N 3.41 -5.21 -0.30 0.00 8.00 -1.26 -4.85 116.55 116.35 2k6h n ASP 153 Ca 0.21 0.12 0.11 0.00 0.71 0.00 0.00 54.79 55.94 2k6h n ASP 153 Cb 0.44 -4.40 0.28 0.00 -0.02 0.00 0.00 41.12 37.41 2k6h n ASP 153 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k6h h THR 154 N 0.00 0.55 -0.34 -3.53 1.03 -1.84 0.42 112.91 109.20 2k6h h THR 154 Ca -0.42 -0.16 0.01 0.00 -0.01 0.00 0.00 66.41 65.83 2k6h h THR 154 Cb 1.30 0.05 -0.02 0.00 -1.07 0.00 0.00 68.15 68.41 2k6h h THR 154 CO 0.52 0.08 0.21 0.11 -0.01 0.00 0.00 175.52 176.43 2k6h h LYS 155 N 0.46 0.41 -0.03 0.00 1.79 -1.93 -2.49 116.57 114.78 2k6h h LYS 155 Ca 0.53 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.97 2k6h h LYS 155 Cb 0.93 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.48 2k6h h LYS 155 CO -0.48 0.27 0.01 1.03 -1.08 0.00 0.00 179.45 179.21 2k6h h SER 156 N 0.42 0.02 -0.07 0.86 0.87 -1.33 -2.23 113.55 112.10 2k6h h SER 156 Ca 0.13 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.72 2k6h h SER 156 Cb -0.02 -0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.89 2k6h h SER 156 CO -0.05 0.02 -0.17 0.11 -0.53 0.00 0.00 176.83 176.22 2k6h h LYS 157 N 0.03 -0.23 -0.57 2.24 6.56 -0.93 0.17 116.57 123.84 2k6h h LYS 157 Ca 0.01 0.02 -0.11 0.00 -1.06 0.00 0.00 60.65 59.51 2k6h h LYS 157 Cb -0.00 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 31.69 2k6h h LYS 157 CO -0.00 -0.15 -0.07 1.37 -2.06 0.00 0.00 179.45 178.53 2k6h h LEU 158 N -0.24 1.05 -0.74 2.94 8.10 -1.48 -2.98 115.31 121.96 2k6h h LEU 158 Ca 0.08 -0.34 -0.07 0.00 0.11 0.00 0.00 57.88 57.66 2k6h h LEU 158 Cb 0.34 -0.28 -0.01 0.00 -0.44 0.00 0.00 40.66 40.27 2k6h h LEU 158 CO -0.21 1.14 -0.35 0.58 -4.11 0.00 0.00 178.44 175.49 2k6h h VAL 159 N 0.94 0.74 -0.39 0.15 2.07 -0.94 -2.40 116.25 116.43 2k6h h VAL 159 Ca 0.15 -1.54 0.05 0.00 0.82 0.00 0.00 66.70 66.18 2k6h h VAL 159 Cb 0.64 2.00 -0.05 0.00 -1.52 0.00 0.00 31.29 32.36 2k6h h VAL 159 CO 0.04 0.34 0.12 0.50 0.02 0.00 0.00 177.57 178.59 2k6h h LYS 160 N 0.00 0.25 -0.30 1.57 3.64 -0.52 -0.32 116.57 120.89 2k6h h LYS 160 Ca -0.00 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 2k6h h LYS 160 Cb 0.97 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 2k6h h LYS 160 CO 0.04 0.17 0.05 -0.07 -2.27 0.00 0.00 179.45 177.37 2k6h h LEU 161 N 0.26 0.48 -0.31 5.20 4.07 -1.44 -1.59 115.31 121.99 2k6h h LEU 161 Ca 0.18 -0.26 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 2k6h h LEU 161 Cb 0.19 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 2k6h h LEU 161 CO -0.21 0.62 0.17 1.62 -1.08 0.00 0.00 178.44 179.56 2k6h h VAL 162 N 0.32 1.13 -0.24 1.22 3.04 -0.91 0.76 116.25 121.57 2k6h h VAL 162 Ca 0.09 -0.35 -0.02 0.00 -1.01 0.00 0.00 66.70 65.40 2k6h h VAL 162 Cb 0.35 0.80 -0.01 0.00 -2.01 0.00 0.00 31.29 30.42 2k6h h VAL 162 CO 0.01 0.14 0.05 0.58 -1.01 0.00 0.00 177.57 177.34 2k6h h VAL 163 N 0.38 1.21 0.63 1.51 2.07 -1.08 0.95 116.25 121.92 2k6h h VAL 163 Ca 0.11 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 2k6h h VAL 163 Cb 0.07 1.23 0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2k6h h VAL 163 CO -0.02 0.22 -0.30 -0.03 0.02 0.00 0.00 177.57 177.46 2k6h h MET 164 N 0.20 -0.81 0.00 1.57 -1.53 -1.08 -2.45 114.93 110.83 2k6h h MET 164 Ca 0.07 0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.39 2k6h h MET 164 Cb 0.29 0.18 0.00 0.00 -0.55 0.00 0.00 31.60 31.52 2k6h h MET 164 CO 0.00 -0.51 -0.19 0.28 0.14 0.00 0.00 176.91 176.63 2k6h h VAL 165 N -0.96 0.00 0.36 -5.77 2.07 -0.88 -3.16 116.25 107.91 2k6h h VAL 165 Ca -0.09 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 2k6h h VAL 165 Cb 0.68 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2k6h h VAL 165 CO 0.14 0.00 -0.17 0.00 0.02 0.00 0.00 177.57 177.56 2k6h h GLU 167 N -0.88 0.52 -0.97 0.00 3.07 -1.13 -3.01 114.58 112.19 2k6h h GLU 167 Ca -0.05 -0.13 0.24 0.00 -0.50 0.00 0.00 59.36 58.92 2k6h h GLU 167 Cb 0.53 -0.07 -0.07 0.00 -0.84 0.00 0.00 28.75 28.31 2k6h h GLU 167 CO 0.08 0.60 0.64 0.78 -1.40 0.00 0.00 179.01 179.71 2k6h h GLY 168 N 0.36 0.88 0.64 -3.84 0.00 -1.35 0.32 103.07 100.08 2k6h h GLY 168 Ca 0.10 -0.17 0.08 0.00 0.00 0.00 0.00 47.33 47.34 2k6h h GLY 168 CO 0.00 -0.05 0.61 -2.00 0.00 0.00 0.00 176.54 175.10 2k6h h LEU 169 N 0.35 0.94 0.00 3.11 5.85 -1.08 -3.20 115.31 121.29 2k6h h LEU 169 Ca 0.52 0.02 -0.16 0.00 0.84 0.00 0.00 57.88 59.10 2k6h h LEU 169 Cb 1.40 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 2k6h h LEU 169 CO -0.20 0.57 -0.99 0.03 -0.34 0.00 0.00 178.44 177.51 2k6h h ARG 170 N 1.06 0.00 -5.95 1.25 3.08 -1.11 -3.45 114.38 109.26 2k6h h ARG 170 Ca 0.44 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.87 2k6h h ARG 170 Cb 0.27 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.22 2k6h h ARG 170 CO -0.21 0.76 1.47 -0.06 -1.07 0.00 0.00 179.97 180.86 2k6h s PHE 171 N -2.31 2.63 0.31 3.04 0.08 0.94 -0.64 117.98 122.03 2k6h s PHE 171 Ca -0.24 -0.97 0.03 0.00 0.12 0.00 0.00 56.93 55.86 2k6h s PHE 171 Cb 0.04 -4.65 0.79 0.00 -0.57 0.00 0.00 43.02 38.63 2k6h s PHE 171 CO 0.50 -1.87 1.58 -0.91 -0.10 0.00 0.00 175.22 174.42 2k6h h ASN 172 N 9.51 -0.34 -0.05 1.36 2.35 -1.32 -1.53 115.58 125.56 2k6h h ASN 172 Ca 0.21 0.26 0.01 0.00 -0.55 0.00 0.00 56.30 56.24 2k6h h ASN 172 Cb 1.00 0.43 -0.02 0.00 0.05 0.00 0.00 38.32 39.78 2k6h h ASN 172 CO 1.39 -0.33 -0.21 0.00 -1.65 0.00 0.00 177.43 176.63 2k6h h THR 173 N 0.04 0.00 -0.09 2.81 1.03 -1.44 0.81 112.91 116.06 2k6h h THR 173 Ca 0.61 0.00 -0.09 0.00 -0.01 0.00 0.00 66.41 66.92 2k6h h THR 173 Cb 1.28 0.00 -0.01 0.00 -1.07 0.00 0.00 68.15 68.35 2k6h h THR 173 CO -0.86 0.00 -0.35 1.62 -0.01 0.00 0.00 175.52 175.92 2k6h h VAL 174 N -0.22 1.28 -0.45 0.00 3.04 -1.77 -1.93 116.25 116.19 2k6h h VAL 174 Ca 0.01 -1.33 0.08 0.00 -1.01 0.00 0.00 66.70 64.45 2k6h h VAL 174 Cb 0.26 1.59 -0.07 0.00 -2.01 0.00 0.00 31.29 31.06 2k6h h VAL 174 CO -0.17 0.39 0.06 -1.28 -1.01 0.00 0.00 177.57 175.57 2k6h h SER 175 N 0.16 -0.07 -0.42 3.17 0.87 -0.88 0.54 113.55 116.91 2k6h h SER 175 Ca 0.02 0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.57 2k6h h SER 175 Cb 0.69 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.78 2k6h h SER 175 CO 0.05 -0.00 -0.12 0.03 -0.53 0.00 0.00 176.83 176.26 2k6h h ARG 176 N 0.18 0.83 -0.55 2.24 -0.00 -0.11 0.15 114.38 117.12 2k6h h ARG 176 Ca 0.23 -0.32 0.03 0.00 -0.50 0.00 0.00 59.98 59.41 2k6h h ARG 176 Cb 0.31 -0.04 -0.04 0.00 0.00 0.00 0.00 29.97 30.20 2k6h h ARG 176 CO -0.32 0.95 0.33 1.15 0.00 0.00 0.00 179.97 182.08 2k6h h THR 177 N 0.65 1.06 0.22 2.04 2.02 -0.96 -0.96 112.91 116.97 2k6h h THR 177 Ca 0.11 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 2k6h h THR 177 Cb 0.65 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 2k6h h THR 177 CO 0.04 0.12 -0.11 0.58 0.37 0.00 0.00 175.52 176.53 2k6h h VAL 178 N 0.65 0.83 -0.86 3.16 2.07 -0.75 -1.99 116.25 119.36 2k6h h VAL 178 Ca 0.22 -0.22 0.14 0.00 0.82 0.00 0.00 66.70 67.65 2k6h h VAL 178 Cb 0.03 0.96 -0.09 0.00 -1.52 0.00 0.00 31.29 30.67 2k6h h VAL 178 CO -0.10 0.05 0.47 -0.78 0.02 0.00 0.00 177.57 177.23 2k6h h ASP 179 N -0.41 0.60 0.77 0.57 3.58 -0.16 0.25 116.42 121.63 2k6h h ASP 179 Ca -0.03 0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.46 2k6h h ASP 179 Cb 0.31 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.34 2k6h h ASP 179 CO 0.05 0.28 -0.37 0.00 -2.88 0.00 0.00 179.24 176.32 2k6h h ALA 180 N 1.54 -1.09 -0.10 -0.78 0.00 -1.19 -3.37 119.26 114.27 2k6h h ALA 180 Ca 0.46 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 2k6h h ALA 180 Cb 0.60 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2k6h h ALA 180 CO -0.33 -1.01 -0.63 0.78 0.00 0.00 0.00 179.25 178.05 2k6h h GLY 181 N -1.22 0.40 2.00 0.00 0.00 -0.53 -3.12 103.07 100.60 2k6h h GLY 181 Ca -0.11 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.72 2k6h h GLY 181 CO 0.17 0.45 0.00 0.33 0.00 0.00 0.00 176.54 177.50 2k6h n PHE 182 N -3.88 0.30 0.25 5.60 7.35 0.81 -1.75 117.46 126.13 2k6h n PHE 182 Ca -0.03 0.13 0.15 0.00 -0.76 0.00 0.00 57.45 56.94 2k6h n PHE 182 Cb 0.64 -0.71 0.49 0.00 0.35 0.00 0.00 39.48 40.26 2k6h n PHE 182 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 2k6h h ASN 183 N 0.00 0.00 -2.05 -2.13 -1.24 -1.70 -3.40 115.58 105.07 2k6h h ASN 183 Ca 0.00 0.00 -0.45 0.00 0.71 0.00 0.00 56.30 56.56 2k6h h ASN 183 Cb 0.18 0.00 0.05 0.00 0.73 0.00 0.00 38.32 39.28 2k6h h ASN 183 CO 0.00 0.02 -0.04 -0.94 -1.29 0.00 0.00 177.43 175.18 2k6h s SER 184 N -5.90 5.07 -0.04 1.15 1.04 -0.72 -5.06 113.70 109.23 2k6h s SER 184 Ca 0.03 -0.27 -0.14 0.00 0.48 0.00 0.00 55.95 56.06 2k6h s SER 184 Cb 0.08 -0.47 -0.08 0.00 0.10 0.00 0.00 66.02 65.65 2k6h s SER 184 CO 0.59 -1.30 0.56 1.56 0.98 0.00 0.00 173.24 175.63 2k6h h GLN 185 N 0.01 -0.46 0.00 4.02 1.08 -1.86 -3.36 115.11 114.53 2k6h h GLN 185 Ca -0.39 0.03 -0.13 0.00 -1.45 0.00 0.00 58.65 56.72 2k6h h GLN 185 Cb 1.29 0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.80 2k6h h GLN 185 CO 0.47 -0.30 -0.61 1.12 -0.95 0.00 0.00 178.83 178.55 2k6h h HIS 186 N -1.13 0.00 0.00 2.96 2.07 -1.94 -2.91 115.15 114.20 2k6h h HIS 186 Ca -0.05 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.47 2k6h h HIS 186 Cb 0.37 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.35 2k6h h HIS 186 CO 0.00 0.61 0.00 0.41 -3.07 0.00 0.00 177.93 175.89 2k6h n GLY 187 N 0.68 -1.81 3.46 6.13 0.00 -1.26 -4.16 105.19 108.23 2k6h n GLY 187 Ca -0.00 -1.60 -0.22 0.00 0.00 0.00 0.00 46.02 44.20 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 1.12 -0.00 1.61 -7.23 -0.73 -4.85 120.40 110.31 2k6h s VAL 188 Ca 0.00 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.24 2k6h s VAL 188 Cb 0.00 -2.74 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 2k6h s VAL 188 CO 0.00 0.00 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.69 2k6h s THR 189 N -3.30 1.70 0.33 5.32 2.01 -1.26 -0.44 115.64 120.01 2k6h s THR 189 Ca 0.35 -0.98 0.07 0.00 0.31 0.00 0.00 61.69 61.44 2k6h s THR 189 Cb 0.08 -1.43 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 2k6h s THR 189 CO 0.15 0.43 0.39 -1.48 -0.69 0.00 0.00 174.62 173.42 2k6h s LEU 190 N -0.65 3.82 0.50 4.42 2.34 -1.26 -5.06 118.68 122.79 2k6h s LEU 190 Ca 0.08 -0.31 -0.03 0.00 0.06 0.00 0.00 54.13 53.93 2k6h s LEU 190 Cb -0.08 -2.53 -0.01 0.00 -0.56 0.00 0.00 46.19 43.01 2k6h s LEU 190 CO -0.00 -0.39 0.77 0.28 -1.06 0.00 0.00 176.35 175.94 2k6h s THR 191 N -2.23 4.12 0.47 5.48 -1.32 -1.26 -4.70 115.64 116.21 2k6h s THR 191 Ca 0.43 -0.18 0.22 0.00 -1.21 0.00 0.00 61.69 60.94 2k6h s THR 191 Cb -0.08 -3.57 0.26 0.00 -1.51 0.00 0.00 72.50 67.60 2k6h s THR 191 CO 0.29 -0.50 2.08 -0.37 -2.21 0.00 0.00 174.62 173.92 2k6h h VAL 192 N 0.18 0.82 0.04 5.08 -1.51 -1.99 -2.96 116.25 115.92 2k6h h VAL 192 Ca -0.46 -0.41 0.01 0.00 -1.23 0.00 0.00 66.70 64.61 2k6h h VAL 192 Cb 1.24 1.24 -0.02 0.00 -2.13 0.00 0.00 31.29 31.62 2k6h h VAL 192 CO 0.60 0.11 -0.13 0.74 -1.23 0.00 0.00 177.57 177.66 2k6h h THR 193 N 0.00 0.70 -0.51 7.19 2.02 -1.99 0.30 112.91 120.62 2k6h h THR 193 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 2k6h h THR 193 Cb 0.23 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 2k6h h THR 193 CO 0.01 0.00 0.26 1.56 0.37 0.00 0.00 175.52 177.72 2k6h h GLN 194 N -0.24 0.72 -0.54 6.66 4.20 -1.92 -1.74 115.11 122.26 2k6h h GLN 194 Ca 0.03 -0.10 0.09 0.00 0.06 0.00 0.00 58.65 58.74 2k6h h GLN 194 Cb 0.27 -0.13 -0.07 0.00 0.30 0.00 0.00 27.48 27.84 2k6h h GLN 194 CO -0.09 0.58 0.13 0.78 -0.67 0.00 0.00 178.83 179.56 2k6h h GLY 195 N 0.67 0.68 0.72 3.46 0.00 -1.24 -0.17 103.07 107.20 2k6h h GLY 195 Ca 0.18 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 2k6h h GLY 195 CO -0.03 -0.07 -0.08 0.50 0.00 0.00 0.00 176.54 176.87 2k6h h LYS 196 N 0.27 0.28 -0.42 4.80 1.57 -0.87 -3.25 116.57 118.95 2k6h h LYS 196 Ca 0.27 -0.13 0.08 0.00 -1.87 0.00 0.00 60.65 59.00 2k6h h LYS 196 Cb 0.37 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.61 2k6h h LYS 196 CO -0.34 0.63 0.01 0.37 -0.57 0.00 0.00 179.45 179.56 2k6h h GLN 197 N -0.07 0.12 -0.05 3.15 4.15 -0.67 -2.38 115.11 119.36 2k6h h GLN 197 Ca 0.03 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.35 2k6h h GLN 197 Cb 0.56 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 2k6h h GLN 197 CO 0.02 0.08 -0.39 -0.39 -1.93 0.00 0.00 178.83 176.23 2k6h h VAL 198 N 0.12 1.29 -0.16 2.39 -1.51 -1.14 -3.09 116.25 114.15 2k6h h VAL 198 Ca 0.21 -1.39 -0.06 0.00 -1.23 0.00 0.00 66.70 64.23 2k6h h VAL 198 Cb 0.29 1.69 -0.00 0.00 -2.13 0.00 0.00 31.29 31.13 2k6h h VAL 198 CO -0.33 0.40 -0.13 1.56 -1.23 0.00 0.00 177.57 177.84 2k6h h GLN 199 N 0.08 0.38 -2.08 5.19 4.20 -1.47 -3.37 115.11 118.04 2k6h h GLN 199 Ca 0.01 -0.19 -0.78 0.00 0.06 0.00 0.00 58.65 57.75 2k6h h GLN 199 Cb 0.72 0.00 -0.27 0.00 0.30 0.00 0.00 27.48 28.23 2k6h h GLN 199 CO 0.05 0.73 1.06 1.17 -0.67 0.00 0.00 178.83 181.18 2k6h n LYS 200 N -4.55 3.61 0.11 1.46 3.00 -1.03 -4.76 118.16 116.00 2k6h n LYS 200 Ca -0.06 -3.88 0.16 0.00 -0.00 0.00 0.00 58.31 54.53 2k6h n LYS 200 Cb 0.35 -2.33 0.70 0.00 0.00 0.00 0.00 35.03 33.75 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 3.39 0.00 -0.40 5.64 7.01 -1.73 -0.47 115.95 129.39 2k6h h TRP 201 Ca 0.56 0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.62 2k6h h TRP 201 Cb 0.12 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.16 2k6h h TRP 201 CO 1.23 0.00 0.27 0.38 -2.79 0.00 0.00 178.44 177.54 2k6h h ASP 202 N 0.00 0.25 -0.15 2.65 2.03 -1.94 0.55 116.42 119.81 2k6h h ASP 202 Ca 0.15 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.42 2k6h h ASP 202 Cb 0.63 -0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 39.07 2k6h h ASP 202 CO -0.00 0.17 -0.00 0.03 -1.03 0.00 0.00 179.24 178.40 2k6h h ARG 203 N 0.29 0.27 -0.36 4.15 3.08 -1.48 -1.79 114.38 118.53 2k6h h ARG 203 Ca 0.18 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 2k6h h ARG 203 Cb 0.34 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2k6h h ARG 203 CO -0.04 0.50 0.10 0.82 -1.07 0.00 0.00 179.97 180.28 2k6h h ILE 204 N 0.01 1.22 -0.39 2.04 5.03 -1.26 -2.19 117.51 121.97 2k6h h ILE 204 Ca 0.04 -0.72 -0.09 0.00 -0.12 0.00 0.00 64.86 63.97 2k6h h ILE 204 Cb 0.38 1.00 -0.01 0.00 -3.03 0.00 0.00 36.82 35.16 2k6h h ILE 204 CO 0.01 0.25 -0.13 0.77 -0.68 0.00 0.00 178.15 178.37 2k6h h SER 205 N 0.43 0.79 -0.87 1.72 4.64 -0.98 -0.76 113.55 118.51 2k6h h SER 205 Ca 0.12 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2k6h h SER 205 Cb 0.27 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.11 2k6h h SER 205 CO -0.00 0.99 0.56 0.07 -0.87 0.00 0.00 176.83 177.58 2k6h h LYS 206 N 0.58 1.16 -0.40 4.77 5.09 -1.24 -0.86 116.57 125.67 2k6h h LYS 206 Ca 0.09 -0.08 -0.07 0.00 0.09 0.00 0.00 60.65 60.68 2k6h h LYS 206 Cb 0.66 -0.26 -0.01 0.00 0.10 0.00 0.00 32.23 32.72 2k6h h LYS 206 CO 0.04 0.78 -0.04 0.00 -2.09 0.00 0.00 179.45 178.15 2k6h h ALA 207 N 1.43 0.54 -0.55 0.07 0.00 -1.17 -0.87 119.26 118.71 2k6h h ALA 207 Ca 0.32 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 55.00 2k6h h ALA 207 Cb -0.11 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 2k6h h ALA 207 CO -0.07 0.36 0.29 0.00 0.00 0.00 0.00 179.25 179.83 2k6h h ALA 208 N 0.87 0.72 -0.46 0.00 0.00 -0.52 0.10 119.26 119.97 2k6h h ALA 208 Ca 0.11 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2k6h h ALA 208 Cb 0.53 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2k6h h ALA 208 CO 0.03 -0.06 0.02 0.35 0.00 0.00 0.00 179.25 179.59 2k6h h PHE 209 N 0.55 0.86 -0.38 0.00 3.57 -1.10 -2.67 116.94 117.76 2k6h h PHE 209 Ca 0.25 -0.14 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 2k6h h PHE 209 Cb 0.15 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 2k6h h PHE 209 CO -0.10 0.83 0.01 1.49 -2.23 0.00 0.00 178.31 178.31 2k6h h GLU 210 N 0.65 0.59 0.00 1.11 4.81 -0.64 -0.30 114.58 120.80 2k6h h GLU 210 Ca 0.13 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k6h h GLU 210 Cb 0.47 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2k6h h GLU 210 CO 0.02 0.61 0.00 0.91 -0.73 0.00 0.00 179.01 179.82 2k6h n TRP 211 N -4.27 0.00 -0.04 0.92 8.01 0.32 -0.84 117.44 121.54 2k6h n TRP 211 Ca 0.02 0.00 -0.17 0.00 -1.31 0.00 0.00 57.50 56.04 2k6h n TRP 211 Cb 0.25 -0.41 -0.13 0.00 -2.01 0.00 0.00 31.31 29.01 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 2.73 0.01 -0.82 6.99 0.00 -0.73 -3.27 119.26 124.17 2k6h h ALA 212 Ca 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 2k6h h ALA 212 Cb 0.25 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2k6h h ALA 212 CO 0.00 0.20 0.48 0.22 0.00 0.00 0.00 179.25 180.14 2k6h h ASP 213 N -0.80 0.99 -3.65 0.00 3.58 -0.90 -3.35 116.42 112.30 2k6h h ASP 213 Ca -0.08 -0.08 -0.62 0.00 0.42 0.00 0.00 57.03 56.67 2k6h h ASP 213 Cb 1.23 -0.25 -0.40 0.00 1.72 0.00 0.00 39.33 41.63 2k6h h ASP 213 CO 0.03 0.78 -0.71 -1.00 -2.88 0.00 0.00 179.24 175.45 2k6h s HIS 214 N -5.93 2.63 0.56 0.28 3.76 -0.02 -5.03 115.29 111.53 2k6h s HIS 214 Ca -0.13 -2.57 0.29 0.00 -0.15 0.00 0.00 55.06 52.50 2k6h s HIS 214 Cb 0.16 -2.31 1.47 0.00 1.11 0.00 0.00 32.58 33.00 2k6h s HIS 214 CO 0.81 -0.84 1.93 -1.35 -0.85 0.00 0.00 174.74 174.44 2k6h h PRO 215 N 7.23 0.00 0.00 8.40 0.11 -1.70 -3.11 132.00 142.93 2k6h h PRO 215 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2k6h h PRO 215 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2k6h h PRO 215 CO 0.53 0.00 -0.03 -2.37 -0.21 0.00 0.00 178.00 175.92 2k6h n THR 216 N -4.05 0.84 -1.05 -1.15 5.66 -1.26 -4.93 114.28 108.34 2k6h n THR 216 Ca 0.11 -0.90 -0.30 0.00 -3.05 0.00 0.00 64.05 59.91 2k6h n THR 216 Cb 0.71 0.50 0.16 0.00 -1.55 0.00 0.00 70.33 70.15 2k6h n THR 216 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k6h s ALA 217 N -0.99 1.25 -0.41 1.79 0.00 -1.18 -5.04 121.76 117.19 2k6h s ALA 217 Ca 0.05 -0.00 0.03 0.00 0.00 0.00 0.00 51.96 52.04 2k6h s ALA 217 Cb 0.04 -3.23 0.11 0.00 0.00 0.00 0.00 23.12 20.05 2k6h s ALA 217 CO 0.00 -2.61 0.15 0.08 0.00 0.00 0.00 175.76 173.38 2k6h s VAL 218 N -2.84 2.12 -0.21 0.00 1.01 -1.26 -4.93 120.40 114.29 2k6h s VAL 218 Ca 0.64 -2.59 -0.29 0.00 0.00 0.00 0.00 61.98 59.75 2k6h s VAL 218 Cb -0.19 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 2k6h s VAL 218 CO 0.58 -0.71 1.46 -0.63 0.00 0.00 0.00 175.10 175.80 2k6h s ILE 219 N 0.53 3.92 0.15 2.22 1.01 -1.26 -4.91 121.20 122.85 2k6h s ILE 219 Ca 0.14 1.07 0.30 0.00 0.00 0.00 0.00 60.65 62.16 2k6h s ILE 219 Cb -0.22 -3.86 0.34 0.00 0.01 0.00 0.00 42.46 38.73 2k6h s ILE 219 CO -0.06 -0.28 1.95 1.55 0.00 0.00 0.00 174.94 178.09 2k6h h PRO 220 N 9.68 0.00 0.00 2.79 0.13 -1.98 -2.97 132.00 139.65 2k6h h PRO 220 Ca -0.31 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2k6h h PRO 220 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 2k6h h PRO 220 CO 1.00 0.08 -0.01 -0.44 -0.23 0.00 0.00 178.00 178.40 2k6h h ASP 221 N 0.00 0.00 0.00 1.44 3.32 -1.95 -3.17 116.42 116.05 2k6h h ASP 221 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k6h h ASP 221 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 2k6h h ASP 221 CO 0.01 0.01 -0.19 0.80 -1.72 0.00 0.00 179.24 178.15 2k6h n MET 222 N -3.42 5.69 -0.07 3.56 1.56 -1.12 -4.63 117.12 118.69 2k6h n MET 222 Ca -0.03 -0.00 0.01 0.00 -0.27 0.00 0.00 57.70 57.41 2k6h n MET 222 Cb 0.10 -0.61 0.32 0.00 2.15 0.00 0.00 33.22 35.18 2k6h n MET 222 CO 0.00 0.00 0.00 1.96 -0.73 0.00 0.00 175.97 177.20 2k6h h GLN 223 N 0.00 0.68 0.00 2.12 4.20 -1.46 -0.67 115.11 119.98 2k6h h GLN 223 Ca 0.00 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 2k6h h GLN 223 Cb 0.02 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 2k6h h GLN 223 CO 0.00 0.53 -0.09 -0.22 -0.67 0.00 0.00 178.83 178.38 2k6h h LYS 224 N 0.69 0.00 -0.37 1.46 1.63 -1.82 -0.94 116.57 117.21 2k6h h LYS 224 Ca 0.17 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 2k6h h LYS 224 Cb 0.06 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 2k6h h LYS 224 CO -0.02 0.09 0.00 1.28 -3.45 0.00 0.00 179.45 177.34 2k6h n LEU 225 N -3.83 2.57 0.00 5.20 4.32 -0.39 -4.94 117.00 119.94 2k6h n LEU 225 Ca -0.02 -1.18 0.00 0.00 -0.02 0.00 0.00 56.01 54.78 2k6h n LEU 225 Cb 0.19 -0.24 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 2k6h n LEU 225 CO 0.30 0.59 0.00 0.61 -1.22 0.00 0.00 177.39 177.67 2k6h n GLY 226 N 1.30 0.75 3.44 -0.72 0.00 -0.36 -5.02 105.19 104.58 2k6h n GLY 226 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.71 5.08 -0.06 -0.61 1.01 -0.45 -4.91 121.20 118.55 2k6h s ILE 227 Ca 0.00 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 59.96 2k6h s ILE 227 Cb 0.00 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.66 2k6h s ILE 227 CO 0.00 -0.28 0.77 2.29 0.00 0.00 0.00 174.94 177.72 2k6h n LYS 228 N 5.12 1.04 -3.85 2.79 0.00 -1.26 -2.54 118.16 119.46 2k6h n LYS 228 Ca -0.11 -1.03 -0.11 0.00 -0.00 0.00 0.00 58.31 57.06 2k6h n LYS 228 Cb 0.47 -1.01 -0.09 0.00 -0.00 0.00 0.00 35.03 34.40 2k6h n LYS 228 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2k6h s ASP 229 N -0.53 0.03 0.30 -5.58 1.01 -1.26 -4.84 116.67 105.80 2k6h s ASP 229 Ca 0.01 -0.34 -0.02 0.00 0.71 0.00 0.00 52.55 52.91 2k6h s ASP 229 Cb 0.01 0.27 0.43 0.00 1.01 0.00 0.00 42.92 44.64 2k6h s ASP 229 CO 0.01 -0.52 1.94 0.50 0.21 0.00 0.00 175.17 177.31 2k6h h LYS 230 N 3.61 1.04 -0.46 8.23 3.64 -1.91 -1.49 116.57 129.22 2k6h h LYS 230 Ca -0.32 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 58.91 2k6h h LYS 230 Cb 1.19 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 2k6h h LYS 230 CO 0.47 0.73 0.04 -0.97 -2.27 0.00 0.00 179.45 177.44 2k6h h ASN 231 N 1.06 0.69 -0.27 4.20 -0.73 -1.97 -0.16 115.58 118.40 2k6h h ASN 231 Ca 0.28 -0.15 -0.01 0.00 1.87 0.00 0.00 56.30 58.30 2k6h h ASN 231 Cb -0.05 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.35 2k6h h ASN 231 CO -0.05 0.74 0.15 -0.08 -0.37 0.00 0.00 177.43 177.81 2k6h h GLU 232 N 0.70 0.38 -0.47 6.67 4.57 -1.77 -1.70 114.58 122.95 2k6h h GLU 232 Ca 0.15 -0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.34 2k6h h GLU 232 Cb 0.37 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.84 2k6h h GLU 232 CO 0.01 0.33 0.18 0.00 -1.18 0.00 0.00 179.01 178.35 2k6h h ALA 233 N 1.02 0.57 0.00 2.92 0.00 -0.81 -1.17 119.26 121.80 2k6h h ALA 233 Ca 0.09 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2k6h h ALA 233 Cb 0.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2k6h h ALA 233 CO -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.03 2k6h n ALA 234 N -2.38 1.61 0.30 0.00 0.00 -0.12 -0.72 120.51 119.20 2k6h n ALA 234 Ca 0.04 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.52 2k6h n ALA 234 Cb 0.17 -1.21 -0.13 0.00 0.00 0.00 0.00 19.45 18.29 2k6h n ALA 234 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2k6h n ARG 235 N -1.46 0.78 -0.03 0.00 1.85 -0.68 -4.41 116.66 112.70 2k6h n ARG 235 Ca 0.04 -0.11 -0.15 0.00 -1.00 0.00 0.00 57.85 56.63 2k6h n ARG 235 Cb 0.14 -1.40 -0.11 0.00 -1.05 0.00 0.00 32.46 30.05 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 1.50 -3.67 8.89 5.03 -0.23 -3.34 117.51 125.70 2k6h h ILE 236 Ca 0.00 -1.80 -0.52 0.00 -0.12 0.00 0.00 64.86 62.41 2k6h h ILE 236 Cb 0.68 2.59 -0.20 0.00 -3.03 0.00 0.00 36.82 36.86 2k6h h ILE 236 CO 0.00 0.50 -0.80 0.68 -0.68 0.00 0.00 178.15 177.85 2k6h s VAL 237 N -3.37 1.68 -0.78 1.67 -7.23 0.10 -1.23 120.40 111.23 2k6h s VAL 237 Ca -0.16 -1.68 0.20 0.00 -1.81 0.00 0.00 61.98 58.53 2k6h s VAL 237 Cb 0.02 -1.63 -0.23 0.00 0.56 0.00 0.00 36.38 35.10 2k6h s VAL 237 CO 0.74 -0.20 0.77 0.00 -0.31 0.00 0.00 175.10 176.11 2k6h n ALA 238 N 0.76 4.27 -3.17 1.32 0.00 0.19 -4.16 120.51 119.72 2k6h n ALA 238 Ca -0.17 -0.55 -0.13 0.00 0.00 0.00 0.00 53.44 52.60 2k6h n ALA 238 Cb 0.55 -0.72 -0.10 0.00 0.00 0.00 0.00 19.45 19.18 2k6h n ALA 238 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k6h s LEU 239 N -3.20 1.09 0.03 0.00 1.43 -1.26 -3.90 118.68 112.88 2k6h s LEU 239 Ca 0.05 0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 2k6h s LEU 239 Cb 0.15 0.98 -0.02 0.00 0.03 0.00 0.00 46.19 47.33 2k6h s LEU 239 CO 0.82 -0.30 -0.07 0.68 0.23 0.00 0.00 176.35 177.71 2k6h s VAL 240 N -0.82 0.47 0.76 -1.59 -7.23 -1.19 -4.89 120.40 105.91 2k6h s VAL 240 Ca -0.09 -0.93 -0.12 0.00 -1.81 0.00 0.00 61.98 59.03 2k6h s VAL 240 Cb -0.05 -0.53 0.05 0.00 0.56 0.00 0.00 36.38 36.42 2k6h s VAL 240 CO 0.02 -0.32 1.11 -0.75 -0.31 0.00 0.00 175.10 174.85 2k6h s LYS 241 N -1.35 2.22 0.17 4.82 2.20 -1.26 -1.35 119.74 125.19 2k6h s LYS 241 Ca -0.09 1.28 -0.32 0.00 -0.36 0.00 0.00 55.97 56.49 2k6h s LYS 241 Cb -0.09 -1.89 -0.11 0.00 -1.51 0.00 0.00 37.83 34.23 2k6h s LYS 241 CO 0.00 -1.69 1.78 1.21 -0.36 0.00 0.00 175.35 176.29 2k6h s ASN 242 N -3.08 6.39 -0.31 1.43 3.84 -1.22 -4.68 114.94 117.31 2k6h s ASN 242 Ca 0.64 2.83 -0.00 0.00 0.21 0.00 0.00 52.86 56.53 2k6h s ASN 242 Cb -0.19 -2.58 0.10 0.00 -0.55 0.00 0.00 41.25 38.02 2k6h s ASN 242 CO 0.53 -0.99 0.09 -1.10 -2.79 0.00 0.00 177.10 172.83 2k6h s GLN 243 N 1.90 0.81 0.46 0.43 -1.52 -1.26 -4.99 119.66 115.48 2k6h s GLN 243 Ca 0.78 -1.14 0.13 0.00 -1.95 0.00 0.00 55.36 53.18 2k6h s GLN 243 Cb -0.48 -2.13 1.06 0.00 -0.22 0.00 0.00 33.01 31.24 2k6h s GLN 243 CO 0.34 -0.96 2.07 1.15 -0.25 0.00 0.00 175.29 177.64 2k6h h THR 244 N 6.51 1.00 -3.68 -0.19 2.02 -2.00 -3.42 112.91 113.14 2k6h h THR 244 Ca -0.13 -0.11 -0.30 0.00 0.77 0.00 0.00 66.41 66.65 2k6h h THR 244 Cb 1.02 0.67 -0.31 0.00 -1.74 0.00 0.00 68.15 67.79 2k6h h THR 244 CO 0.47 0.06 -0.74 0.42 0.37 0.00 0.00 175.52 176.10 2k6h s THR 245 N -5.30 0.17 -0.44 3.16 -4.23 -1.26 -5.06 115.64 102.68 2k6h s THR 245 Ca -0.07 -0.02 0.23 0.00 -1.18 0.00 0.00 61.69 60.66 2k6h s THR 245 Cb 0.18 -0.20 0.32 0.00 1.34 0.00 0.00 72.50 74.14 2k6h s THR 245 CO 0.71 0.09 1.59 0.00 -0.54 0.00 0.00 174.62 176.47 2k6h h ALA 246 N 6.57 0.98 -1.67 3.99 0.00 -1.86 -3.42 119.26 123.84 2k6h h ALA 246 Ca -0.33 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.39 2k6h h ALA 246 Cb 1.17 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.68 2k6h h ALA 246 CO 0.50 0.00 -0.54 0.00 0.00 0.00 0.00 179.25 179.20 2k6h s ALA 247 N -3.21 -1.24 0.00 0.00 0.00 -1.26 -4.90 121.76 111.15 2k6h s ALA 247 Ca 0.07 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.17 2k6h s ALA 247 Cb 0.05 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 21.05 2k6h s ALA 247 CO 0.67 -1.82 0.00 0.00 0.00 0.00 0.00 175.76 174.62