#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 0.06 -4.15 2.12 2.85 -1.26 -4.78 118.16 113.00 2k6h n LYS 2 Ca 0.00 0.28 -0.27 0.00 -1.05 0.00 0.00 58.31 57.26 2k6h n LYS 2 Cb 0.00 -1.61 -0.07 0.00 -0.65 0.00 0.00 35.03 32.70 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 -3.08 2.60 0.18 -1.58 0.52 -1.26 -5.10 118.95 111.22 2k6h s ARG 3 Ca 0.07 -0.97 -0.30 0.00 -0.52 0.00 0.00 55.73 54.00 2k6h s ARG 3 Cb 0.10 -2.49 -0.08 0.00 0.52 0.00 0.00 34.95 33.00 2k6h s ARG 3 CO 0.33 0.48 1.31 -1.50 0.02 0.00 0.00 175.30 175.93 2k6h s ILE 4 N -1.65 3.29 -0.24 1.52 -1.16 -1.26 -5.02 121.20 116.68 2k6h s ILE 4 Ca 0.28 1.04 -0.20 0.00 -0.51 0.00 0.00 60.65 61.26 2k6h s ILE 4 Cb -0.10 -3.66 -0.02 0.00 0.61 0.00 0.00 42.46 39.29 2k6h s ILE 4 CO 0.20 0.14 0.63 0.54 -2.81 0.00 0.00 174.94 173.64 2k6h s VAL 5 N 0.28 5.00 0.98 4.00 0.11 -1.26 -4.79 120.40 124.72 2k6h s VAL 5 Ca 0.58 1.15 -0.12 0.00 -2.93 0.00 0.00 61.98 60.65 2k6h s VAL 5 Cb -0.36 -3.94 0.18 0.00 -1.53 0.00 0.00 36.38 30.74 2k6h s VAL 5 CO 0.37 0.06 1.08 -2.16 -3.33 0.00 0.00 175.10 171.12 2k6h s PRO 6 N 2.30 0.55 0.32 1.54 0.04 -1.26 -5.04 135.00 133.45 2k6h s PRO 6 Ca 0.27 0.76 0.01 0.00 0.04 0.00 0.00 61.00 62.07 2k6h s PRO 6 Cb -0.16 -1.73 -0.00 0.00 0.04 0.00 0.00 34.50 32.65 2k6h s PRO 6 CO 0.09 -2.71 0.02 1.63 0.04 0.00 0.00 177.00 176.07 2k6h n LYS 7 N -4.20 1.08 -1.55 4.56 4.01 -1.26 -5.06 118.16 115.74 2k6h n LYS 7 Ca 0.06 -2.41 -0.39 0.00 -0.51 0.00 0.00 58.31 55.07 2k6h n LYS 7 Cb 0.56 0.78 -0.04 0.00 -0.51 0.00 0.00 35.03 35.82 2k6h n LYS 7 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2k6h n PHE 8 N -0.78 1.51 -1.03 2.13 7.35 -1.26 -4.97 117.46 120.40 2k6h n PHE 8 Ca -0.12 0.09 -0.28 0.00 -0.76 0.00 0.00 57.45 56.37 2k6h n PHE 8 Cb 0.42 -2.64 0.20 0.00 0.35 0.00 0.00 39.48 37.81 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 10.95 2.03 -0.10 -2.13 -1.32 -1.26 -5.03 115.64 118.77 2k6h s THR 9 Ca 1.02 0.01 0.03 0.00 -1.21 0.00 0.00 61.69 61.53 2k6h s THR 9 Cb -0.31 -2.41 0.01 0.00 -1.51 0.00 0.00 72.50 68.28 2k6h s THR 9 CO 0.31 -0.01 -0.19 -0.70 -2.21 0.00 0.00 174.62 171.81 2k6h s GLU 10 N -4.86 2.58 -0.18 7.08 2.56 -1.26 -5.03 118.70 119.59 2k6h s GLU 10 Ca 0.66 -0.71 -0.06 0.00 0.00 0.00 0.00 54.97 54.87 2k6h s GLU 10 Cb -0.20 -2.05 -0.03 0.00 2.00 0.00 0.00 34.13 33.84 2k6h s GLU 10 CO 0.59 0.05 0.02 0.42 -0.56 0.00 0.00 175.26 175.79 2k6h s ILE 11 N 0.66 4.41 -0.24 -3.70 1.01 -1.26 -1.67 121.20 120.42 2k6h s ILE 11 Ca -0.13 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.37 2k6h s ILE 11 Cb -0.16 -2.98 0.06 0.00 0.01 0.00 0.00 42.46 39.39 2k6h s ILE 11 CO 0.03 0.47 -0.05 -0.36 0.00 0.00 0.00 174.94 175.02 2k6h s PHE 12 N 0.44 2.45 -0.58 3.97 0.08 0.10 -5.00 117.98 119.45 2k6h s PHE 12 Ca 0.00 -1.79 -0.26 0.00 0.12 0.00 0.00 56.93 55.00 2k6h s PHE 12 Cb -0.13 -1.60 -0.07 0.00 -0.57 0.00 0.00 43.02 40.65 2k6h s PHE 12 CO 0.01 -0.78 2.26 -2.14 -0.10 0.00 0.00 175.22 174.47 2k6h s PRO 13 N 1.38 2.17 0.38 0.24 0.02 -1.26 -1.27 135.00 136.67 2k6h s PRO 13 Ca -0.06 1.01 0.27 0.00 0.02 0.00 0.00 61.00 62.24 2k6h s PRO 13 Cb -0.19 -4.59 0.98 0.00 0.02 0.00 0.00 34.50 30.72 2k6h s PRO 13 CO -0.06 -3.32 1.80 -0.24 -0.33 0.00 0.00 177.00 174.85 2k6h h VAL 14 N 7.48 0.00 -0.30 3.83 3.04 -1.17 -3.19 116.25 125.94 2k6h h VAL 14 Ca -0.20 -0.50 -0.03 0.00 -1.01 0.00 0.00 66.70 64.97 2k6h h VAL 14 Cb 1.19 1.42 -0.01 0.00 -2.01 0.00 0.00 31.29 31.88 2k6h h VAL 14 CO 1.16 0.00 0.08 -0.08 -1.01 0.00 0.00 177.57 177.72 2k6h h GLU 15 N 0.00 0.47 -4.60 4.17 4.57 -1.86 -3.41 114.58 113.92 2k6h h GLU 15 Ca 0.00 -0.11 -0.72 0.00 -1.18 0.00 0.00 59.36 57.35 2k6h h GLU 15 Cb 0.59 -0.06 -0.21 0.00 -0.16 0.00 0.00 28.75 28.91 2k6h h GLU 15 CO 0.00 0.53 0.35 0.34 -1.18 0.00 0.00 179.01 179.06 2k6h s ASP 16 N -5.82 6.47 -0.43 1.04 2.15 -1.21 -4.99 116.67 113.88 2k6h s ASP 16 Ca -0.13 -1.94 -0.27 0.00 0.43 0.00 0.00 52.55 50.64 2k6h s ASP 16 Cb 0.08 -2.31 -0.05 0.00 -0.30 0.00 0.00 42.92 40.34 2k6h s ASP 16 CO 0.74 -0.97 2.22 0.00 -0.17 0.00 0.00 175.17 176.99 2k6h s ALA 17 N 2.08 2.08 0.08 3.66 0.00 -1.26 -4.59 121.76 123.81 2k6h s ALA 17 Ca 0.20 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2k6h s ALA 17 Cb -0.14 -4.25 0.00 0.00 0.00 0.00 0.00 23.12 18.73 2k6h s ALA 17 CO -0.03 -3.83 0.00 -1.71 0.00 0.00 0.00 175.76 170.20 2k6h n ASN 18 N 13.95 -0.09 -4.77 0.00 2.85 -1.26 -5.09 115.26 120.85 2k6h n ASN 18 Ca 0.31 0.13 -0.39 0.00 -0.11 0.00 0.00 54.58 54.53 2k6h n ASN 18 Cb 0.51 0.16 -0.03 0.00 1.24 0.00 0.00 39.78 41.66 2k6h n ASN 18 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 2k6h s TYR 19 N -1.25 3.26 0.34 1.20 -0.85 -1.26 -5.02 117.35 113.77 2k6h s TYR 19 Ca 0.00 1.61 -0.29 0.00 -0.52 0.00 0.00 57.07 57.87 2k6h s TYR 19 Cb 0.00 -3.33 -0.11 0.00 0.38 0.00 0.00 41.96 38.90 2k6h s TYR 19 CO 0.00 -0.99 1.52 -2.14 -1.52 0.00 0.00 175.55 172.42 2k6h s PRO 20 N -2.03 4.13 0.40 -3.49 0.02 -1.26 -4.93 135.00 127.84 2k6h s PRO 20 Ca 0.53 2.55 0.10 0.00 0.02 0.00 0.00 61.00 64.20 2k6h s PRO 20 Cb -0.30 -3.00 0.83 0.00 0.02 0.00 0.00 34.50 32.05 2k6h s PRO 20 CO 0.38 -0.55 1.95 -0.92 -0.33 0.00 0.00 177.00 177.53 2k6h h TYR 21 N 3.78 0.25 -0.65 6.54 3.20 -1.95 -1.35 116.97 126.79 2k6h h TYR 21 Ca -0.49 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.41 2k6h h TYR 21 Cb 1.23 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 39.37 2k6h h TYR 21 CO 0.56 0.33 0.36 1.03 -1.64 0.00 0.00 178.16 178.80 2k6h h SER 22 N 0.24 0.54 -0.60 -2.11 0.87 -1.91 -0.81 113.55 109.77 2k6h h SER 22 Ca 0.05 0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.54 2k6h h SER 22 Cb 0.30 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 2k6h h SER 22 CO 0.02 0.35 -0.01 0.00 -0.53 0.00 0.00 176.83 176.65 2k6h h ALA 23 N 1.34 0.80 -0.05 6.23 0.00 -1.66 -0.44 119.26 125.47 2k6h h ALA 23 Ca 0.29 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2k6h h ALA 23 Cb 0.17 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2k6h h ALA 23 CO -0.18 0.65 -0.22 0.35 0.00 0.00 0.00 179.25 179.86 2k6h h PHE 24 N 0.96 -0.58 -0.56 0.00 3.57 -0.84 -0.54 116.94 118.95 2k6h h PHE 24 Ca 0.17 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.73 2k6h h PHE 24 Cb 0.57 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.54 2k6h h PHE 24 CO 0.04 -0.30 0.32 0.82 -2.23 0.00 0.00 178.31 176.95 2k6h h ILE 25 N -0.32 1.00 0.07 1.41 1.08 -0.89 -1.14 117.51 118.72 2k6h h ILE 25 Ca 0.08 -0.21 0.02 0.00 -0.39 0.00 0.00 64.86 64.36 2k6h h ILE 25 Cb 0.42 0.34 -0.03 0.00 -3.07 0.00 0.00 36.82 34.48 2k6h h ILE 25 CO -0.24 0.11 -0.20 0.00 -0.69 0.00 0.00 178.15 177.14 2k6h h ALA 26 N 1.28 -0.30 0.03 1.87 0.00 -0.62 0.11 119.26 121.62 2k6h h ALA 26 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2k6h h ALA 26 Cb 0.10 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2k6h h ALA 26 CO -0.14 -0.72 -0.05 0.77 0.00 0.00 0.00 179.25 179.12 2k6h h SER 27 N -0.36 -0.13 -0.57 0.00 0.02 -0.80 0.57 113.55 112.28 2k6h h SER 27 Ca 0.04 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 2k6h h SER 27 Cb 0.40 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 2k6h h SER 27 CO -0.14 -0.08 0.17 0.58 -1.14 0.00 0.00 176.83 176.22 2k6h h VAL 28 N -0.10 1.24 -0.13 2.27 2.07 -1.10 -1.16 116.25 119.33 2k6h h VAL 28 Ca 0.01 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 2k6h h VAL 28 Cb 0.11 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2k6h h VAL 28 CO -0.03 0.32 0.07 -0.09 0.02 0.00 0.00 177.57 177.86 2k6h h ARG 29 N 0.90 0.18 -0.62 1.57 2.43 -0.48 -0.68 114.38 117.69 2k6h h ARG 29 Ca 0.20 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.44 2k6h h ARG 29 Cb 0.29 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.73 2k6h h ARG 29 CO -0.00 0.21 0.24 -0.22 -1.51 0.00 0.00 179.97 178.69 2k6h h LYS 30 N 0.10 0.42 0.52 0.20 3.11 -0.41 -2.01 116.57 118.50 2k6h h LYS 30 Ca 0.05 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.83 2k6h h LYS 30 Cb 0.08 -0.09 0.01 0.00 -1.00 0.00 0.00 32.23 31.23 2k6h h LYS 30 CO -0.01 0.28 -0.25 0.22 -2.81 0.00 0.00 179.45 176.88 2k6h h ASP 31 N 0.43 -0.59 0.21 4.20 3.58 -0.96 -3.25 116.42 120.04 2k6h h ASP 31 Ca 0.31 -0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.68 2k6h h ASP 31 Cb 0.37 0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.57 2k6h h ASP 31 CO -0.30 -0.29 -0.13 1.62 -2.88 0.00 0.00 179.24 177.26 2k6h h VAL 32 N -0.89 0.87 -0.27 2.25 3.04 -0.89 -1.80 116.25 118.56 2k6h h VAL 32 Ca -0.07 -0.50 0.06 0.00 -1.01 0.00 0.00 66.70 65.18 2k6h h VAL 32 Cb 0.61 1.29 -0.01 0.00 -2.01 0.00 0.00 31.29 31.16 2k6h h VAL 32 CO 0.12 0.13 0.19 0.40 -1.01 0.00 0.00 177.57 177.40 2k6h h ILE 33 N 0.00 0.92 0.00 3.17 2.04 -1.40 -0.58 117.51 121.67 2k6h h ILE 33 Ca -0.00 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2k6h h ILE 33 Cb 0.27 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2k6h h ILE 33 CO 0.02 0.02 0.00 0.11 0.00 0.00 0.00 178.15 178.30 2k6h h LYS 34 N 0.11 0.00 -0.16 2.37 1.57 -1.44 -2.44 116.57 116.58 2k6h h LYS 34 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2k6h h LYS 34 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2k6h h LYS 34 CO -0.01 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.59 2k6h n HIS 35 N -2.82 0.19 -1.33 -1.35 8.25 -0.23 -5.00 115.22 112.94 2k6h n HIS 35 Ca -0.01 -0.12 -0.30 0.00 -0.26 0.00 0.00 57.72 57.03 2k6h n HIS 35 Cb 0.15 -0.00 0.22 0.00 1.12 0.00 0.00 29.99 31.48 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 -3.26 2.01 -0.82 0.00 2.01 -0.21 -4.85 115.64 110.51 2k6h s THR 37 Ca 0.72 -1.08 -0.21 0.00 0.31 0.00 0.00 61.69 61.43 2k6h s THR 37 Cb -0.08 -1.67 0.09 0.00 0.01 0.00 0.00 72.50 70.85 2k6h s THR 37 CO 0.55 0.57 1.11 -0.62 -0.69 0.00 0.00 174.62 175.54 2k6h s ASP 38 N -0.50 6.39 0.44 3.53 2.15 -1.26 -3.27 116.67 124.16 2k6h s ASP 38 Ca 0.07 -1.44 -0.22 0.00 0.43 0.00 0.00 52.55 51.39 2k6h s ASP 38 Cb -0.11 -2.44 -0.08 0.00 -0.30 0.00 0.00 42.92 39.99 2k6h s ASP 38 CO 0.00 -1.32 1.07 -2.28 -0.17 0.00 0.00 175.17 172.46 2k6h s HIS 39 N 3.74 3.09 0.79 -5.34 5.65 -1.26 -5.05 115.29 116.90 2k6h s HIS 39 Ca 0.30 1.60 -0.13 0.00 0.25 0.00 0.00 55.06 57.08 2k6h s HIS 39 Cb -0.09 -3.15 0.07 0.00 -1.18 0.00 0.00 32.58 28.23 2k6h s HIS 39 CO 0.00 -0.87 1.16 -1.59 -0.65 0.00 0.00 174.74 172.80 2k6h s LYS 40 N -2.81 1.83 0.00 2.88 -2.85 -1.26 -4.14 119.74 113.38 2k6h s LYS 40 Ca 0.63 1.58 0.00 0.00 -1.00 0.00 0.00 55.97 57.18 2k6h s LYS 40 Cb -0.21 -1.82 0.00 0.00 -2.06 0.00 0.00 37.83 33.74 2k6h s LYS 40 CO 0.26 -2.03 0.00 0.41 0.10 0.00 0.00 175.35 174.09 2k6h n GLY 41 N 0.04 1.28 3.63 0.59 0.00 -1.26 -4.90 105.19 104.57 2k6h n GLY 41 Ca 0.12 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 3.22 0.02 -0.61 1.01 -1.26 -4.77 121.20 118.81 2k6h s ILE 42 Ca 0.00 0.25 -0.26 0.00 0.00 0.00 0.00 60.65 60.64 2k6h s ILE 42 Cb 0.00 -3.23 -0.16 0.00 0.01 0.00 0.00 42.46 39.08 2k6h s ILE 42 CO 0.00 -0.10 1.24 0.15 0.00 0.00 0.00 174.94 176.24 2k6h h PHE 43 N 12.31 -0.59 -4.14 3.97 3.57 -1.90 -3.45 116.94 126.71 2k6h h PHE 43 Ca -0.41 -0.01 -0.51 0.00 3.53 0.00 0.00 57.97 60.56 2k6h h PHE 43 Cb 1.21 0.20 0.09 0.00 2.79 0.00 0.00 35.95 40.24 2k6h h PHE 43 CO 0.94 -0.27 0.41 1.14 -2.23 0.00 0.00 178.31 178.30 2k6h s GLN 44 N -4.85 3.01 0.45 1.11 -2.07 -1.26 -4.97 119.66 111.07 2k6h s GLN 44 Ca -0.14 1.55 -0.22 0.00 -1.82 0.00 0.00 55.36 54.72 2k6h s GLN 44 Cb 0.02 -1.96 -0.11 0.00 -1.09 0.00 0.00 33.01 29.87 2k6h s GLN 44 CO 0.51 -1.11 0.71 -2.30 -1.32 0.00 0.00 175.29 171.78 2k6h n PRO 45 N -1.89 0.80 -4.51 9.60 -0.02 -1.25 -4.84 135.00 132.89 2k6h n PRO 45 Ca 0.11 0.29 -0.24 0.00 -2.02 0.00 0.00 63.50 61.65 2k6h n PRO 45 Cb 0.51 -1.73 -0.14 0.00 -0.02 0.00 0.00 33.50 32.13 2k6h n PRO 45 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2k6h s VAL 46 N -1.45 1.55 0.76 -1.45 1.01 -1.20 -2.15 120.40 117.46 2k6h s VAL 46 Ca 0.65 -1.22 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 2k6h s VAL 46 Cb -0.56 -1.37 0.05 0.00 0.00 0.00 0.00 36.38 34.50 2k6h s VAL 46 CO 0.56 0.11 1.16 -0.76 0.00 0.00 0.00 175.10 176.17 2k6h s LEU 47 N -1.31 3.20 1.00 3.92 1.43 -0.73 -1.04 118.68 125.15 2k6h s LEU 47 Ca 0.06 2.16 -0.12 0.00 -1.03 0.00 0.00 54.13 55.20 2k6h s LEU 47 Cb -0.09 -4.57 0.14 0.00 0.03 0.00 0.00 46.19 41.71 2k6h s LEU 47 CO 0.02 -2.25 0.80 -2.65 0.23 0.00 0.00 176.35 172.50 2k6h n PRO 48 N -3.07 -0.96 -1.50 1.29 -0.02 -1.26 -4.36 135.00 125.12 2k6h n PRO 48 Ca 0.12 -0.23 -0.38 0.00 -2.02 0.00 0.00 63.50 60.99 2k6h n PRO 48 Cb 0.51 -2.13 0.05 0.00 -0.02 0.00 0.00 33.50 31.92 2k6h n PRO 48 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2k6h n PRO 49 N -3.50 0.62 -2.05 0.52 -0.02 -1.26 -4.64 135.00 124.67 2k6h n PRO 49 Ca 0.08 0.25 -0.41 0.00 -2.02 0.00 0.00 63.50 61.39 2k6h n PRO 49 Cb 0.54 -1.93 -0.03 0.00 -0.02 0.00 0.00 33.50 32.07 2k6h n PRO 49 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2k6h s GLU 50 N -2.50 4.29 0.01 -0.52 2.12 -1.26 -5.03 118.70 115.80 2k6h s GLU 50 Ca 0.72 2.25 -0.08 0.00 0.36 0.00 0.00 54.97 58.22 2k6h s GLU 50 Cb -0.42 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 30.84 2k6h s GLU 50 CO 0.51 -0.40 0.15 0.21 -0.54 0.00 0.00 175.26 175.19 2k6h s LYS 51 N -0.15 0.52 0.00 4.30 2.47 -1.26 -5.06 119.74 120.56 2k6h s LYS 51 Ca 0.60 -0.42 0.22 0.00 -1.56 0.00 0.00 55.97 54.81 2k6h s LYS 51 Cb -0.41 0.22 1.17 0.00 -1.46 0.00 0.00 37.83 37.35 2k6h s LYS 51 CO 0.41 -0.13 1.72 0.36 0.16 0.00 0.00 175.35 177.87 2k6h n LYS 52 N 1.35 0.40 -3.80 4.03 2.85 -1.26 -4.32 118.16 117.41 2k6h n LYS 52 Ca -0.22 0.06 -0.28 0.00 -1.05 0.00 0.00 58.31 56.82 2k6h n LYS 52 Cb 0.56 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 33.32 2k6h n LYS 52 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2k6h s VAL 53 N -2.45 2.34 -0.61 0.58 -7.23 -1.26 -5.05 120.40 106.71 2k6h s VAL 53 Ca 0.24 -3.81 -0.27 0.00 -1.81 0.00 0.00 61.98 56.33 2k6h s VAL 53 Cb 0.15 -2.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.53 2k6h s VAL 53 CO 0.32 -1.02 1.75 -2.16 -0.31 0.00 0.00 175.10 173.68 2k6h s PRO 54 N -0.99 2.78 0.07 4.82 0.04 -1.26 -4.87 135.00 135.59 2k6h s PRO 54 Ca 0.25 0.53 -0.23 0.00 0.04 0.00 0.00 61.00 61.59 2k6h s PRO 54 Cb -0.06 -4.33 -0.14 0.00 0.04 0.00 0.00 34.50 30.00 2k6h s PRO 54 CO -0.15 -2.56 1.65 1.49 0.04 0.00 0.00 177.00 177.47 2k6h h GLU 55 N 13.97 0.07 -5.00 4.56 4.57 -1.97 -3.46 114.58 127.31 2k6h h GLU 55 Ca -0.27 -0.01 -0.31 0.00 -1.18 0.00 0.00 59.36 57.59 2k6h h GLU 55 Cb 1.14 -0.01 -0.15 0.00 -0.16 0.00 0.00 28.75 29.57 2k6h h GLU 55 CO 1.21 0.16 -0.72 -0.48 -1.18 0.00 0.00 179.01 178.00 2k6h s LEU 56 N -9.97 2.50 0.30 1.64 0.05 -1.26 -4.91 118.68 107.03 2k6h s LEU 56 Ca -0.14 -0.97 -0.20 0.00 0.05 0.00 0.00 54.13 52.88 2k6h s LEU 56 Cb 0.06 -0.31 0.03 0.00 -2.05 0.00 0.00 46.19 43.92 2k6h s LEU 56 CO 0.67 -0.33 0.73 -1.66 -0.55 0.00 0.00 176.35 175.21 2k6h s TRP 57 N -3.15 -0.11 -0.67 3.48 1.48 -1.26 -4.79 118.94 113.92 2k6h s TRP 57 Ca 0.14 -0.39 -0.24 0.00 -1.06 0.00 0.00 56.10 54.54 2k6h s TRP 57 Cb 0.02 0.73 0.06 0.00 -1.16 0.00 0.00 33.47 33.11 2k6h s TRP 57 CO -0.00 -1.31 1.05 -0.51 -4.06 0.00 0.00 176.95 172.12 2k6h s LEU 58 N -2.95 4.03 0.03 -4.66 2.01 -0.93 -4.97 118.68 111.23 2k6h s LEU 58 Ca 0.12 -0.79 -0.25 0.00 0.01 0.00 0.00 54.13 53.22 2k6h s LEU 58 Cb -0.06 -2.49 -0.05 0.00 0.01 0.00 0.00 46.19 43.60 2k6h s LEU 58 CO 0.08 -1.54 0.78 -0.31 1.01 0.00 0.00 176.35 176.37 2k6h s TYR 59 N 4.52 3.71 -0.24 0.29 2.02 -1.26 -1.07 117.35 125.31 2k6h s TYR 59 Ca 0.26 1.48 -0.03 0.00 -0.37 0.00 0.00 57.07 58.41 2k6h s TYR 59 Cb -0.14 -2.85 0.08 0.00 -0.40 0.00 0.00 41.96 38.65 2k6h s TYR 59 CO 0.12 0.23 0.09 0.99 -1.57 0.00 0.00 175.55 175.41 2k6h s THR 60 N 0.13 0.30 -0.30 -0.71 2.01 -0.28 -4.17 115.64 112.63 2k6h s THR 60 Ca 0.40 -0.72 -0.25 0.00 0.31 0.00 0.00 61.69 61.43 2k6h s THR 60 Cb -0.20 -1.06 0.00 0.00 0.01 0.00 0.00 72.50 71.25 2k6h s THR 60 CO 0.23 -0.48 0.86 -1.61 -0.69 0.00 0.00 174.62 172.93 2k6h s GLU 61 N 1.93 4.03 -0.34 4.92 0.41 -0.67 -1.17 118.70 127.81 2k6h s GLU 61 Ca 0.05 0.76 -0.11 0.00 -0.41 0.00 0.00 54.97 55.26 2k6h s GLU 61 Cb -0.17 -3.71 0.00 0.00 -1.78 0.00 0.00 34.13 28.47 2k6h s GLU 61 CO -0.21 -0.70 0.19 -0.51 -0.49 0.00 0.00 175.26 173.55 2k6h s LEU 62 N 3.09 4.42 -0.12 1.80 2.01 -0.33 -0.72 118.68 128.83 2k6h s LEU 62 Ca 0.36 -0.64 -0.05 0.00 0.01 0.00 0.00 54.13 53.80 2k6h s LEU 62 Cb -0.14 -2.05 -0.04 0.00 0.01 0.00 0.00 46.19 43.98 2k6h s LEU 62 CO 0.12 -0.27 0.09 -0.75 1.01 0.00 0.00 176.35 176.55 2k6h s LYS 63 N 1.63 3.36 0.41 1.70 2.20 -0.39 -1.62 119.74 127.03 2k6h s LYS 63 Ca 0.04 -0.24 0.04 0.00 -0.36 0.00 0.00 55.97 55.45 2k6h s LYS 63 Cb -0.18 -3.07 -0.03 0.00 -1.51 0.00 0.00 37.83 33.04 2k6h s LYS 63 CO 0.07 0.70 0.11 0.99 -0.36 0.00 0.00 175.35 176.86 2k6h s THR 64 N -0.82 0.71 0.35 3.43 2.01 -0.01 -0.55 115.64 120.75 2k6h s THR 64 Ca 0.13 -2.00 0.09 0.00 0.31 0.00 0.00 61.69 60.22 2k6h s THR 64 Cb -0.12 -2.38 0.32 0.00 0.01 0.00 0.00 72.50 70.34 2k6h s THR 64 CO 0.03 0.00 1.84 0.08 -0.69 0.00 0.00 174.62 175.88 2k6h h ARG 65 N 1.78 0.68 0.00 4.92 0.11 -1.98 -3.37 114.38 116.52 2k6h h ARG 65 Ca -0.37 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.67 2k6h h ARG 65 Cb 1.27 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 32.20 2k6h h ARG 65 CO 0.59 0.45 -0.09 0.25 0.10 0.00 0.00 179.97 181.27 2k6h n THR 66 N -4.61 0.62 -2.85 0.08 -2.24 -1.26 -5.10 114.28 98.93 2k6h n THR 66 Ca 0.19 0.22 -0.26 0.00 -2.27 0.00 0.00 64.05 61.94 2k6h n THR 66 Cb 0.52 -1.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.36 2k6h n THR 66 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2k6h s SER 67 N -5.38 6.17 -0.10 3.42 0.01 -1.26 -5.12 113.70 111.43 2k6h s SER 67 Ca -0.03 0.72 -0.11 0.00 1.31 0.00 0.00 55.95 57.84 2k6h s SER 67 Cb 0.00 -2.07 0.03 0.00 0.21 0.00 0.00 66.02 64.19 2k6h s SER 67 CO 0.04 -0.56 0.30 -0.94 0.41 0.00 0.00 173.24 172.49 2k6h s SER 68 N -4.12 -0.30 -0.06 2.44 1.04 -1.26 -0.83 113.70 110.61 2k6h s SER 68 Ca 0.46 0.56 0.01 0.00 0.48 0.00 0.00 55.95 57.46 2k6h s SER 68 Cb -0.10 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.63 2k6h s SER 68 CO 0.42 -0.13 -0.06 0.27 0.98 0.00 0.00 173.24 174.72 2k6h s ILE 69 N 0.04 0.74 -0.46 -1.02 -4.36 -0.64 -3.94 121.20 111.56 2k6h s ILE 69 Ca -0.01 -0.20 -0.28 0.00 -0.26 0.00 0.00 60.65 59.90 2k6h s ILE 69 Cb -0.02 -0.75 0.01 0.00 1.25 0.00 0.00 42.46 42.94 2k6h s ILE 69 CO 0.01 0.28 1.49 -0.89 0.24 0.00 0.00 174.94 176.07 2k6h s THR 70 N 1.12 3.78 0.21 8.37 2.01 -1.25 -1.19 115.64 128.70 2k6h s THR 70 Ca -0.07 0.74 -0.04 0.00 0.31 0.00 0.00 61.69 62.63 2k6h s THR 70 Cb -0.14 -4.18 -0.05 0.00 0.01 0.00 0.00 72.50 68.14 2k6h s THR 70 CO -0.01 -0.84 0.44 -1.48 -0.69 0.00 0.00 174.62 172.04 2k6h s LEU 71 N 6.04 4.19 -0.06 4.42 0.05 -0.32 -0.39 118.68 132.61 2k6h s LEU 71 Ca 0.62 0.58 -0.00 0.00 0.05 0.00 0.00 54.13 55.37 2k6h s LEU 71 Cb -0.14 -3.35 0.03 0.00 -2.05 0.00 0.00 46.19 40.68 2k6h s LEU 71 CO 0.30 -0.06 -0.02 0.00 -0.55 0.00 0.00 176.35 176.02 2k6h s ALA 72 N -1.87 0.68 -0.36 1.48 0.00 -0.61 -1.13 121.76 119.97 2k6h s ALA 72 Ca 0.41 -0.09 -0.12 0.00 0.00 0.00 0.00 51.96 52.17 2k6h s ALA 72 Cb -0.11 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.41 2k6h s ALA 72 CO 0.27 -0.27 0.22 0.42 0.00 0.00 0.00 175.76 176.40 2k6h s ILE 73 N 1.52 4.87 -0.41 0.00 -1.09 -0.24 -1.89 121.20 123.96 2k6h s ILE 73 Ca -0.02 -0.55 -0.29 0.00 -2.23 0.00 0.00 60.65 57.56 2k6h s ILE 73 Cb -0.13 -3.60 0.02 0.00 -1.58 0.00 0.00 42.46 37.16 2k6h s ILE 73 CO -0.03 -0.11 1.28 -0.60 -1.23 0.00 0.00 174.94 174.25 2k6h s ARG 74 N 1.63 3.71 0.48 2.79 3.52 -0.28 -2.19 118.95 128.61 2k6h s ARG 74 Ca 0.04 0.87 0.14 0.00 -0.13 0.00 0.00 55.73 56.66 2k6h s ARG 74 Cb -0.18 -3.95 1.14 0.00 -1.56 0.00 0.00 34.95 30.40 2k6h s ARG 74 CO 0.08 -1.39 2.09 0.00 -0.81 0.00 0.00 175.30 175.27 2k6h h MET 75 N 9.83 0.20 0.00 5.12 -0.00 -1.87 -0.87 114.93 127.35 2k6h h MET 75 Ca -0.25 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.43 2k6h h MET 75 Cb 1.09 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 32.64 2k6h h MET 75 CO 1.09 0.13 0.00 -0.40 -0.00 0.00 0.00 176.91 177.73 2k6h n ASP 76 N -4.50 0.61 0.00 -0.10 5.75 -1.26 -2.40 116.55 114.65 2k6h n ASP 76 Ca 0.01 0.70 0.00 0.00 -0.01 0.00 0.00 54.79 55.49 2k6h n ASP 76 Cb 0.16 -0.81 0.00 0.00 -1.03 0.00 0.00 41.12 39.44 2k6h n ASP 76 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2k6h n ASN 77 N -2.23 0.33 -3.84 -1.12 2.85 -1.09 -4.95 115.26 105.21 2k6h n ASN 77 Ca 0.01 -1.02 -0.28 0.00 -0.11 0.00 0.00 54.58 53.18 2k6h n ASN 77 Cb 0.15 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.18 2k6h n ASN 77 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2k6h n LEU 78 N -0.01 -1.63 -4.03 1.20 4.77 -0.35 -5.03 117.00 111.92 2k6h n LEU 78 Ca 0.00 -1.02 -0.09 0.00 -0.03 0.00 0.00 56.01 54.87 2k6h n LEU 78 Cb 0.18 -1.62 -0.11 0.00 -2.33 0.00 0.00 43.42 39.55 2k6h n LEU 78 CO 0.00 0.46 -0.36 -0.47 -1.33 0.00 0.00 177.39 175.68 2k6h s TYR 79 N -3.06 0.40 -0.78 -1.77 5.04 -1.20 -4.97 117.35 111.01 2k6h s TYR 79 Ca 0.07 -0.73 -0.26 0.00 -2.44 0.00 0.00 57.07 53.71 2k6h s TYR 79 Cb -0.04 -0.29 0.02 0.00 0.35 0.00 0.00 41.96 42.01 2k6h s TYR 79 CO 0.91 -0.25 1.47 -1.17 -1.34 0.00 0.00 175.55 175.17 2k6h s LEU 80 N -2.04 3.25 0.23 6.97 0.20 -1.26 -1.13 118.68 124.90 2k6h s LEU 80 Ca -0.07 -0.51 0.12 0.00 0.69 0.00 0.00 54.13 54.36 2k6h s LEU 80 Cb -0.03 -2.56 0.07 0.00 -0.43 0.00 0.00 46.19 43.24 2k6h s LEU 80 CO -0.04 -1.94 1.44 0.58 -0.29 0.00 0.00 176.35 176.10 2k6h h VAL 81 N 6.42 1.28 -1.98 1.68 2.07 -1.75 -3.45 116.25 120.52 2k6h h VAL 81 Ca -0.16 -2.61 0.34 0.00 0.82 0.00 0.00 66.70 65.10 2k6h h VAL 81 Cb 1.06 2.50 -0.06 0.00 -1.52 0.00 0.00 31.29 33.26 2k6h h VAL 81 CO 1.29 0.69 0.86 0.61 0.02 0.00 0.00 177.57 181.04 2k6h n GLY 82 N 1.03 0.19 3.13 2.17 0.00 -1.25 -1.27 105.19 109.18 2k6h n GLY 82 Ca 0.01 -1.01 -0.08 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.07 0.38 -0.44 1.61 -0.12 -0.59 -1.57 117.98 115.17 2k6h s PHE 83 Ca 0.28 -0.88 -0.20 0.00 -0.05 0.00 0.00 56.93 56.09 2k6h s PHE 83 Cb -0.00 -0.26 0.03 0.00 -0.63 0.00 0.00 43.02 42.15 2k6h s PHE 83 CO -0.02 -0.44 0.59 0.50 -0.05 0.00 0.00 175.22 175.81 2k6h s ARG 84 N -3.85 3.21 0.24 1.99 3.52 0.48 -1.23 118.95 123.31 2k6h s ARG 84 Ca 0.06 -0.52 -0.30 0.00 -0.13 0.00 0.00 55.73 54.83 2k6h s ARG 84 Cb 0.07 -3.97 -0.10 0.00 -1.56 0.00 0.00 34.95 29.39 2k6h s ARG 84 CO -0.10 -0.99 1.40 0.99 -0.81 0.00 0.00 175.30 175.78 2k6h s THR 85 N 2.63 2.81 0.20 4.11 2.01 -0.08 -3.81 115.64 123.52 2k6h s THR 85 Ca 0.19 0.68 -0.31 0.00 0.31 0.00 0.00 61.69 62.57 2k6h s THR 85 Cb -0.15 -3.44 -0.10 0.00 0.01 0.00 0.00 72.50 68.82 2k6h s THR 85 CO 0.17 0.11 1.53 -2.16 -0.69 0.00 0.00 174.62 173.58 2k6h s PRO 86 N -0.35 4.22 0.00 4.92 0.04 -1.25 -2.83 135.00 139.74 2k6h s PRO 86 Ca 0.58 2.36 0.00 0.00 0.04 0.00 0.00 61.00 63.98 2k6h s PRO 86 Cb -0.40 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.01 2k6h s PRO 86 CO 0.42 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.32 2k6h n GLY 87 N 3.12 0.98 0.70 0.56 0.00 -1.26 -4.83 105.19 104.46 2k6h n GLY 87 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.59 0.67 3.05 -0.02 0.00 -1.13 -5.12 105.19 102.05 2k6h n GLY 88 Ca 0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.33 0.29 0.10 1.61 0.11 -1.23 -5.06 120.40 113.88 2k6h s VAL 89 Ca 0.00 -1.29 0.09 0.00 -2.93 0.00 0.00 61.98 57.84 2k6h s VAL 89 Cb 0.00 -0.82 -0.03 0.00 -1.53 0.00 0.00 36.38 34.00 2k6h s VAL 89 CO 0.00 -0.65 -0.22 0.26 -3.33 0.00 0.00 175.10 171.16 2k6h s TRP 90 N -2.33 1.89 -0.09 1.54 0.51 -1.26 -0.90 118.94 118.30 2k6h s TRP 90 Ca -0.06 -0.41 0.02 0.00 -2.12 0.00 0.00 56.10 53.53 2k6h s TRP 90 Cb -0.04 -1.05 -0.02 0.00 -0.81 0.00 0.00 33.47 31.56 2k6h s TRP 90 CO -0.03 0.21 -0.13 -1.58 -0.51 0.00 0.00 176.95 174.90 2k6h s TRP 91 N -1.09 2.76 0.02 -1.98 0.52 -0.37 -0.70 118.94 118.10 2k6h s TRP 91 Ca 0.08 -0.39 0.08 0.00 0.02 0.00 0.00 56.10 55.89 2k6h s TRP 91 Cb -0.10 -1.74 -0.02 0.00 -1.15 0.00 0.00 33.47 30.46 2k6h s TRP 91 CO 0.04 -0.00 -0.25 -2.00 0.02 0.00 0.00 176.95 174.76 2k6h s GLU 92 N -0.20 1.83 0.80 4.98 2.12 -0.06 -1.55 118.70 126.63 2k6h s GLU 92 Ca 0.00 -1.00 -0.10 0.00 0.36 0.00 0.00 54.97 54.23 2k6h s GLU 92 Cb -0.13 -1.90 0.07 0.00 0.26 0.00 0.00 34.13 32.43 2k6h s GLU 92 CO 0.03 0.50 1.10 -0.06 -0.54 0.00 0.00 175.26 176.29 2k6h s PHE 93 N -0.71 2.44 0.00 5.30 0.40 -0.40 -1.31 117.98 123.70 2k6h s PHE 93 Ca 0.10 1.58 0.00 0.00 -0.60 0.00 0.00 56.93 58.01 2k6h s PHE 93 Cb -0.10 -3.09 0.00 0.00 0.51 0.00 0.00 43.02 40.35 2k6h s PHE 93 CO 0.01 -1.95 0.00 0.41 0.70 0.00 0.00 175.22 174.39 2k6h n GLY 94 N -1.02 -2.06 3.47 4.36 0.00 -1.00 -4.79 105.19 104.15 2k6h n GLY 94 Ca 0.09 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.60 2k6h n GLY 94 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k6h s LYS 95 N 0.00 1.34 0.00 1.61 -2.85 -1.26 -1.96 119.74 116.62 2k6h s LYS 95 Ca 0.00 -1.10 0.00 0.00 -1.00 0.00 0.00 55.97 53.87 2k6h s LYS 95 Cb 0.00 0.45 0.00 0.00 -2.06 0.00 0.00 37.83 36.22 2k6h s LYS 95 CO 0.00 -0.54 0.00 -3.47 0.10 0.00 0.00 175.35 171.44 2k6h n ASP 96 N -0.30 0.00 -4.57 0.03 2.03 -1.26 -4.52 116.55 107.95 2k6h n ASP 96 Ca -0.06 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.83 2k6h n ASP 96 Cb 0.62 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 41.01 2k6h n ASP 96 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2k6h s GLY 97 N 0.00 1.42 0.94 0.27 0.00 -1.26 -5.00 107.32 103.69 2k6h s GLY 97 Ca 0.00 -2.62 -0.10 0.00 0.00 0.00 0.00 44.72 42.00 2k6h s GLY 97 CO 0.00 2.76 1.11 2.09 0.00 0.00 0.00 173.10 179.06 2k6h n ASP 98 N 8.89 0.09 -1.05 1.64 5.68 -1.26 -4.99 116.55 125.54 2k6h n ASP 98 Ca 0.43 0.37 0.04 0.00 -0.50 0.00 0.00 54.79 55.13 2k6h n ASP 98 Cb 0.48 -1.45 0.07 0.00 -1.14 0.00 0.00 41.12 39.08 2k6h n ASP 98 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2k6h n THR 99 N -4.31 0.68 -0.47 2.12 -2.24 -1.26 -5.09 114.28 103.72 2k6h n THR 99 Ca 0.11 -1.52 -0.08 0.00 -2.27 0.00 0.00 64.05 60.29 2k6h n THR 99 Cb 0.52 0.54 -0.07 0.00 -2.10 0.00 0.00 70.33 69.23 2k6h n THR 99 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k6h n HIS 100 N -0.09 0.04 0.14 4.78 1.44 -1.26 -4.83 115.22 115.44 2k6h n HIS 100 Ca 0.09 0.03 0.05 0.00 -2.01 0.00 0.00 57.72 55.88 2k6h n HIS 100 Cb 0.94 -0.31 -0.07 0.00 0.12 0.00 0.00 29.99 30.68 2k6h n HIS 100 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 2k6h n LEU 101 N 2.11 0.14 -1.21 2.39 -0.00 -1.26 -4.64 117.00 114.53 2k6h n LEU 101 Ca 0.21 -0.15 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 2k6h n LEU 101 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.45 2k6h n LEU 101 CO 0.33 0.03 0.59 0.18 -0.00 0.00 0.00 177.39 178.52 2k6h n LEU 102 N -1.67 3.31 0.00 -1.96 7.99 -1.26 -4.89 117.00 118.53 2k6h n LEU 102 Ca -0.01 -1.57 0.00 0.00 -0.01 0.00 0.00 56.01 54.42 2k6h n LEU 102 Cb 0.23 -0.63 0.00 0.00 -0.11 0.00 0.00 43.42 42.92 2k6h n LEU 102 CO 0.21 0.59 0.00 0.61 -1.51 0.00 0.00 177.39 177.29 2k6h n GLY 103 N 0.93 1.74 3.78 -0.72 0.00 -1.26 -4.83 105.19 104.84 2k6h n GLY 103 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2k6h n GLY 103 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k6h s ASP 104 N -4.00 2.60 -0.31 1.61 -1.08 -1.26 -4.89 116.67 109.34 2k6h s ASP 104 Ca 0.00 0.61 -0.28 0.00 -0.52 0.00 0.00 52.55 52.36 2k6h s ASP 104 Cb 0.00 -0.89 -0.03 0.00 -1.46 0.00 0.00 42.92 40.54 2k6h s ASP 104 CO 0.00 -3.08 1.94 0.21 0.52 0.00 0.00 175.17 174.76 2k6h s ASN 105 N -4.31 5.70 0.92 -0.34 2.47 -1.26 -4.79 114.94 113.33 2k6h s ASN 105 Ca 0.70 1.44 -0.13 0.00 0.42 0.00 0.00 52.86 55.28 2k6h s ASN 105 Cb -0.09 -2.52 0.14 0.00 -1.45 0.00 0.00 41.25 37.33 2k6h s ASN 105 CO 0.54 -1.84 1.16 -2.16 -3.72 0.00 0.00 177.10 171.08 2k6h s PRO 106 N 5.98 1.07 0.28 0.43 0.05 -1.26 -4.67 135.00 136.89 2k6h s PRO 106 Ca 0.86 0.18 0.07 0.00 0.05 0.00 0.00 61.00 62.16 2k6h s PRO 106 Cb -0.25 -1.84 -0.03 0.00 0.05 0.00 0.00 34.50 32.43 2k6h s PRO 106 CO 0.33 -2.22 0.26 1.03 0.05 0.00 0.00 177.00 176.46 2k6h s ARG 107 N -5.38 2.94 -0.15 4.56 0.52 0.12 -4.92 118.95 116.62 2k6h s ARG 107 Ca 0.65 -1.09 -0.15 0.00 -0.52 0.00 0.00 55.73 54.62 2k6h s ARG 107 Cb -0.13 -2.59 -0.05 0.00 0.52 0.00 0.00 34.95 32.70 2k6h s ARG 107 CO 0.53 0.28 0.32 -1.58 0.02 0.00 0.00 175.30 174.88 2k6h s TRP 108 N -2.17 3.47 0.09 -0.53 0.51 -1.26 -0.88 118.94 118.16 2k6h s TRP 108 Ca 0.36 0.64 0.33 0.00 -2.12 0.00 0.00 56.10 55.32 2k6h s TRP 108 Cb -0.07 -2.38 1.46 0.00 -0.81 0.00 0.00 33.47 31.67 2k6h s TRP 108 CO 0.26 0.22 1.99 -0.07 -0.51 0.00 0.00 176.95 178.85 2k6h h LEU 109 N 6.70 0.00 0.00 2.99 3.38 -1.21 -3.47 115.31 123.70 2k6h h LEU 109 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2k6h h LEU 109 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2k6h h LEU 109 CO 0.76 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.90 2k6h n GLY 110 N -0.16 2.97 1.54 0.83 0.00 -0.83 -4.97 105.19 104.57 2k6h n GLY 110 Ca 0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.49 -4.37 1.61 3.72 -1.26 -4.47 117.46 112.19 2k6h n PHE 111 Ca 0.00 -1.28 -0.19 0.00 -0.05 0.00 0.00 57.45 55.93 2k6h n PHE 111 Cb 0.00 0.17 -0.10 0.00 -0.94 0.00 0.00 39.48 38.60 2k6h n PHE 111 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2k6h s GLY 112 N -2.09 1.66 -1.23 1.37 0.00 -1.26 -2.39 107.32 103.39 2k6h s GLY 112 Ca 0.18 -1.81 -0.13 0.00 0.00 0.00 0.00 44.72 42.96 2k6h s GLY 112 CO 0.13 -1.75 1.52 0.61 0.00 0.00 0.00 173.10 173.61 2k6h n GLY 113 N -0.49 3.64 2.84 0.20 0.00 -1.26 -4.76 105.19 105.36 2k6h n GLY 113 Ca -0.06 -2.03 -0.15 0.00 0.00 0.00 0.00 46.02 43.79 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 1.34 0.16 0.48 1.61 3.03 -1.26 -5.06 118.95 119.26 2k6h s ARG 114 Ca 0.42 0.04 0.16 0.00 2.03 0.00 0.00 55.73 58.38 2k6h s ARG 114 Cb -0.00 -0.29 1.15 0.00 -1.03 0.00 0.00 34.95 34.78 2k6h s ARG 114 CO 0.00 -0.07 2.05 0.10 -1.13 0.00 0.00 175.30 176.26 2k6h h TYR 115 N 6.78 0.22 -0.82 5.89 -0.00 -1.92 -0.60 116.97 126.51 2k6h h TYR 115 Ca -0.36 0.01 0.19 0.00 0.00 0.00 0.00 58.73 58.56 2k6h h TYR 115 Cb 1.16 -0.07 -0.12 0.00 0.00 0.00 0.00 36.73 37.70 2k6h h TYR 115 CO 0.47 0.12 0.27 0.37 -0.00 0.00 0.00 178.16 179.38 2k6h h GLN 116 N 0.22 0.31 0.07 0.10 4.15 -1.87 -2.13 115.11 115.96 2k6h h GLN 116 Ca 0.16 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 2k6h h GLN 116 Cb 0.36 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.98 2k6h h GLN 116 CO -0.03 0.20 -0.03 0.22 -1.93 0.00 0.00 178.83 177.26 2k6h h ASP 117 N 0.32 -0.08 -0.33 -0.69 3.58 -1.36 -3.24 116.42 114.62 2k6h h ASP 117 Ca 0.49 -0.54 0.05 0.00 0.42 0.00 0.00 57.03 57.45 2k6h h ASP 117 Cb 0.89 0.02 -0.08 0.00 1.72 0.00 0.00 39.33 41.88 2k6h h ASP 117 CO -0.54 0.60 -0.53 -0.07 -2.88 0.00 0.00 179.24 175.82 2k6h h LEU 118 N -0.86 -1.76 -3.86 2.28 3.38 -1.17 -3.25 115.31 110.08 2k6h h LEU 118 Ca -0.01 0.23 -0.20 0.00 0.09 0.00 0.00 57.88 57.99 2k6h h LEU 118 Cb 0.61 0.72 -0.38 0.00 0.09 0.00 0.00 40.66 41.70 2k6h h LEU 118 CO 0.02 -0.42 -1.02 2.30 0.09 0.00 0.00 178.44 179.40 2k6h n ILE 119 N -5.40 0.44 0.00 1.22 -5.35 -1.17 -4.93 119.36 104.17 2k6h n ILE 119 Ca -0.04 -1.63 0.00 0.00 -0.27 0.00 0.00 62.75 60.81 2k6h n ILE 119 Cb 0.35 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 39.34 2k6h n ILE 119 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k6h n GLY 120 N 0.05 3.39 0.01 3.28 0.00 -1.22 -2.27 105.19 108.42 2k6h n GLY 120 Ca 0.04 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.09 2k6h n GLY 120 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k6h n ASN 121 N 6.53 0.05 -4.77 1.61 3.02 -1.26 -3.97 115.26 116.46 2k6h n ASN 121 Ca 0.00 0.50 -0.40 0.00 -0.03 0.00 0.00 54.58 54.65 2k6h n ASN 121 Cb 0.00 -0.52 -0.02 0.00 -0.61 0.00 0.00 39.78 38.63 2k6h n ASN 121 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2k6h s LYS 122 N -3.01 4.32 0.61 3.52 1.02 -0.96 -5.04 119.74 120.20 2k6h s LYS 122 Ca 0.14 2.17 -0.04 0.00 0.02 0.00 0.00 55.97 58.25 2k6h s LYS 122 Cb 0.18 -3.02 0.03 0.00 -0.52 0.00 0.00 37.83 34.50 2k6h s LYS 122 CO 0.53 -0.20 0.89 0.20 -0.92 0.00 0.00 175.35 175.85 2k6h s GLY 123 N -0.57 1.66 0.01 -3.33 0.00 -1.26 -4.70 107.32 99.13 2k6h s GLY 123 Ca 0.50 -0.90 0.23 0.00 0.00 0.00 0.00 44.72 44.55 2k6h s GLY 123 CO 0.51 -0.59 1.74 1.47 0.00 0.00 0.00 173.10 176.23 2k6h n LEU 124 N -2.60 0.04 -0.06 0.66 -0.00 -1.26 -3.45 117.00 110.32 2k6h n LEU 124 Ca 0.06 0.51 0.07 0.00 -0.00 0.00 0.00 56.01 56.64 2k6h n LEU 124 Cb 0.59 -0.50 0.40 0.00 -0.00 0.00 0.00 43.42 43.91 2k6h n LEU 124 CO 0.51 -0.11 0.76 -1.84 -0.00 0.00 0.00 177.39 176.70 2k6h n GLU 125 N -1.54 1.08 0.31 1.47 -0.00 -1.26 -3.62 120.64 117.08 2k6h n GLU 125 Ca 0.06 -0.12 0.21 0.00 -0.00 0.00 0.00 57.16 57.30 2k6h n GLU 125 Cb 0.28 -1.23 1.07 0.00 -0.00 0.00 0.00 31.44 31.55 2k6h n GLU 125 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 2k6h h THR 126 N 0.23 0.00 -4.04 3.84 1.35 -1.94 -3.44 112.91 108.91 2k6h h THR 126 Ca 0.00 -0.09 -0.57 0.00 -0.55 0.00 0.00 66.41 65.19 2k6h h THR 126 Cb 0.05 1.04 -0.24 0.00 -1.73 0.00 0.00 68.15 67.28 2k6h h THR 126 CO 0.00 0.00 -0.83 0.68 -0.25 0.00 0.00 175.52 175.12 2k6h s VAL 127 N -4.00 1.71 0.81 6.82 -7.23 -1.24 -5.14 120.40 112.12 2k6h s VAL 127 Ca -0.04 -1.39 -0.11 0.00 -1.81 0.00 0.00 61.98 58.64 2k6h s VAL 127 Cb 0.12 -1.52 0.08 0.00 0.56 0.00 0.00 36.38 35.61 2k6h s VAL 127 CO 0.41 0.07 1.10 -0.89 -0.31 0.00 0.00 175.10 175.48 2k6h s THR 128 N -0.99 3.10 -0.10 5.32 2.01 -1.26 -4.77 115.64 118.95 2k6h s THR 128 Ca 0.07 0.36 0.04 0.00 0.31 0.00 0.00 61.69 62.46 2k6h s THR 128 Cb -0.09 -2.79 -0.00 0.00 0.01 0.00 0.00 72.50 69.62 2k6h s THR 128 CO 0.03 -0.46 -0.23 -0.04 -0.69 0.00 0.00 174.62 173.23 2k6h s MET 129 N -4.88 3.06 0.08 4.92 -1.94 0.87 -4.96 119.30 116.44 2k6h s MET 129 Ca 0.62 -0.86 -0.27 0.00 -1.71 0.00 0.00 55.69 53.47 2k6h s MET 129 Cb -0.18 -2.33 0.09 0.00 2.01 0.00 0.00 34.83 34.42 2k6h s MET 129 CO 0.56 0.20 1.13 0.20 -0.01 0.00 0.00 175.02 177.10 2k6h s GLY 130 N 0.31 -0.25 0.40 -0.03 0.00 -1.26 -1.18 107.32 105.30 2k6h s GLY 130 Ca -0.17 0.29 0.20 0.00 0.00 0.00 0.00 44.72 45.04 2k6h s GLY 130 CO 0.08 0.74 1.79 0.07 0.00 0.00 0.00 173.10 175.78 2k6h h ARG 131 N 2.00 0.00 -0.76 2.90 -0.00 -1.71 -2.92 114.38 113.89 2k6h h ARG 131 Ca -0.27 0.00 0.02 0.00 -0.00 0.00 0.00 59.98 59.73 2k6h h ARG 131 Cb 1.21 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 31.14 2k6h h ARG 131 CO 0.28 0.32 0.49 0.00 -0.00 0.00 0.00 179.97 181.07 2k6h h ALA 132 N 1.68 0.98 -0.95 0.08 0.00 -1.90 0.51 119.26 119.65 2k6h h ALA 132 Ca -0.00 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2k6h h ALA 132 Cb 0.80 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 2k6h h ALA 132 CO 0.04 0.34 0.63 0.93 0.00 0.00 0.00 179.25 181.19 2k6h h GLU 133 N 0.99 1.25 -0.20 0.00 3.07 -1.90 -1.09 114.58 116.70 2k6h h GLU 133 Ca 0.29 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.36 59.05 2k6h h GLU 133 Cb -0.06 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 27.56 2k6h h GLU 133 CO -0.08 0.83 0.05 1.98 -1.40 0.00 0.00 179.01 180.38 2k6h h MET 134 N 1.29 0.32 -0.31 2.33 4.05 -1.08 0.10 114.93 121.63 2k6h h MET 134 Ca 0.35 -0.08 0.07 0.00 -0.28 0.00 0.00 59.70 59.76 2k6h h MET 134 Cb -0.14 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 30.55 2k6h h MET 134 CO -0.08 0.45 -0.10 1.15 0.23 0.00 0.00 176.91 178.56 2k6h h THR 135 N 0.14 0.63 -0.25 -0.77 2.02 -0.58 -0.26 112.91 113.84 2k6h h THR 135 Ca 0.06 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.26 2k6h h THR 135 Cb 0.28 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 2k6h h THR 135 CO 0.00 0.00 0.12 0.03 0.37 0.00 0.00 175.52 176.04 2k6h h ARG 136 N -0.04 0.25 -0.29 6.66 3.08 -1.11 -2.50 114.38 120.44 2k6h h ARG 136 Ca 0.16 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 2k6h h ARG 136 Cb 0.28 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2k6h h ARG 136 CO -0.35 0.17 0.17 0.00 -1.07 0.00 0.00 179.97 178.89 2k6h h ALA 137 N 1.13 0.37 -0.56 0.04 0.00 -0.16 0.90 119.26 120.99 2k6h h ALA 137 Ca 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2k6h h ALA 137 Cb 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2k6h h ALA 137 CO -0.08 -0.12 0.17 -0.24 0.00 0.00 0.00 179.25 178.99 2k6h h VAL 138 N 0.36 1.24 -0.65 0.00 3.04 -1.03 -0.49 116.25 118.71 2k6h h VAL 138 Ca 0.10 -0.80 -0.03 0.00 -1.01 0.00 0.00 66.70 64.96 2k6h h VAL 138 Cb 0.03 0.70 -0.03 0.00 -2.01 0.00 0.00 31.29 29.99 2k6h h VAL 138 CO -0.02 0.30 0.30 0.78 -1.01 0.00 0.00 177.57 177.92 2k6h h ASN 139 N 0.78 0.87 -0.08 3.17 4.21 -1.26 -1.64 115.58 121.63 2k6h h ASN 139 Ca 0.18 -0.14 -0.00 0.00 1.21 0.00 0.00 56.30 57.55 2k6h h ASN 139 Cb 0.28 -0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 37.25 2k6h h ASN 139 CO -0.01 0.77 0.05 -0.78 -1.29 0.00 0.00 177.43 176.18 2k6h h ASP 140 N 0.91 0.10 -0.59 5.81 1.82 -0.54 -2.03 116.42 121.90 2k6h h ASP 140 Ca 0.22 -0.04 -0.03 0.00 -0.39 0.00 0.00 57.03 56.79 2k6h h ASP 140 Cb 0.14 -0.02 -0.03 0.00 0.68 0.00 0.00 39.33 40.10 2k6h h ASP 140 CO -0.03 0.11 0.25 -0.07 -1.61 0.00 0.00 179.24 177.89 2k6h h LEU 141 N 0.08 0.84 -1.15 2.28 3.38 -0.93 -2.50 115.31 117.30 2k6h h LEU 141 Ca 0.03 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 2k6h h LEU 141 Cb 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2k6h h LEU 141 CO -0.01 0.75 0.17 0.00 0.09 0.00 0.00 178.44 179.45 2k6h h ALA 142 N 1.37 1.33 0.00 1.53 0.00 -0.94 -1.93 119.26 120.63 2k6h h ALA 142 Ca 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2k6h h ALA 142 Cb 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2k6h h ALA 142 CO -0.02 0.49 0.00 0.36 0.00 0.00 0.00 179.25 180.08 2k6h n LYS 143 N -4.32 0.08 -2.31 0.00 2.85 -0.80 -4.34 118.16 109.33 2k6h n LYS 143 Ca 0.04 0.14 -0.35 0.00 -1.05 0.00 0.00 58.31 57.09 2k6h n LYS 143 Cb 0.18 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.03 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 -2.89 3.21 0.30 -1.58 1.02 -0.73 -4.57 119.74 114.50 2k6h s LYS 144 Ca 0.12 -1.56 0.16 0.00 0.02 0.00 0.00 55.97 54.71 2k6h s LYS 144 Cb 0.13 -5.39 0.15 0.00 -0.52 0.00 0.00 37.83 32.21 2k6h s LYS 144 CO 0.35 -3.16 1.49 -0.22 -0.92 0.00 0.00 175.35 172.88 2k6h h LYS 145 N 8.70 0.00 0.00 1.68 3.64 -1.85 -3.48 116.57 125.26 2k6h h LYS 145 Ca 0.33 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.48 2k6h h LYS 145 Cb 0.91 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.67 2k6h h LYS 145 CO 1.34 0.46 -0.21 0.36 -2.27 0.00 0.00 179.45 179.13 2k6h n LYS 146 N -3.25 0.42 -0.14 1.90 2.85 -1.26 -5.04 118.16 113.65 2k6h n LYS 146 Ca 0.02 -1.51 0.26 0.00 -1.05 0.00 0.00 58.31 56.02 2k6h n LYS 146 Cb 0.70 1.07 0.70 0.00 -0.65 0.00 0.00 35.03 36.85 2k6h n LYS 146 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k6h h MET 147 N 0.00 0.03 0.00 -1.58 -0.00 -1.94 -3.46 114.93 107.97 2k6h h MET 147 Ca -0.12 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.58 2k6h h MET 147 Cb 0.54 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.13 2k6h h MET 147 CO 0.18 0.02 0.00 -0.11 -0.00 0.00 0.00 176.91 177.00 2k6h n LEU 148 N -4.31 0.00 -3.11 -0.10 0.00 -1.26 -3.83 117.00 104.38 2k6h n LEU 148 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 56.01 56.13 2k6h n LEU 148 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.27 2k6h n LEU 148 CO 0.38 0.00 0.23 -0.62 0.00 0.00 0.00 177.39 177.38 2k6h n GLU 149 N 0.97 -1.51 -0.08 1.96 1.02 -1.26 -4.91 120.64 116.82 2k6h n GLU 149 Ca 0.00 1.52 -0.09 0.00 -0.02 0.00 0.00 57.16 58.57 2k6h n GLU 149 Cb 0.00 -5.33 0.06 0.00 -0.02 0.00 0.00 31.44 26.15 2k6h n GLU 149 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2k6h h PRO 150 N 0.65 0.78 0.00 3.49 0.11 -1.99 -3.35 132.00 131.68 2k6h h PRO 150 Ca -0.08 -0.35 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2k6h h PRO 150 Cb 1.05 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2k6h h PRO 150 CO 0.29 0.97 -0.89 0.94 -0.21 0.00 0.00 178.00 179.11 2k6h n GLN 151 N -4.08 0.27 0.00 1.05 7.27 -1.26 -4.66 117.38 115.97 2k6h n GLN 151 Ca -0.01 0.02 0.00 0.00 0.07 0.00 0.00 57.00 57.08 2k6h n GLN 151 Cb 0.48 -1.61 0.00 0.00 2.41 0.00 0.00 30.24 31.52 2k6h n GLN 151 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2k6h n ALA 152 N -1.80 0.00 0.15 1.69 0.00 -1.26 -4.88 120.51 114.41 2k6h n ALA 152 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.48 2k6h n ALA 152 Cb 0.43 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.96 2k6h n ALA 152 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k6h n ASP 153 N -2.34 0.00 -0.32 0.00 8.00 -1.26 -3.27 116.55 117.36 2k6h n ASP 153 Ca 0.00 0.27 0.17 0.00 0.71 0.00 0.00 54.79 55.94 2k6h n ASP 153 Cb 0.00 -0.31 0.36 0.00 -0.02 0.00 0.00 41.12 41.15 2k6h n ASP 153 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2k6h h THR 154 N 0.00 0.41 -0.33 -3.53 1.35 -1.89 0.26 112.91 109.17 2k6h h THR 154 Ca 0.00 -0.13 0.06 0.00 -0.55 0.00 0.00 66.41 65.79 2k6h h THR 154 Cb 0.03 -0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 66.39 2k6h h THR 154 CO 0.00 0.07 -0.04 0.11 -0.25 0.00 0.00 175.52 175.41 2k6h h LYS 155 N 0.38 0.05 -0.64 4.72 1.79 -1.82 -0.54 116.57 120.51 2k6h h LYS 155 Ca 0.62 -0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 59.02 2k6h h LYS 155 Cb 1.25 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.87 2k6h h LYS 155 CO -0.56 0.03 0.15 1.03 -1.08 0.00 0.00 179.45 179.02 2k6h h SER 156 N 0.05 0.97 -0.20 0.86 0.87 -0.90 -2.87 113.55 112.33 2k6h h SER 156 Ca 0.16 -0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.47 2k6h h SER 156 Cb 0.24 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2k6h h SER 156 CO -0.31 0.95 0.05 0.11 -0.53 0.00 0.00 176.83 177.11 2k6h h LYS 157 N 0.94 0.32 -0.62 2.24 1.57 0.01 -1.56 116.57 119.48 2k6h h LYS 157 Ca 0.20 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 2k6h h LYS 157 Cb 0.36 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2k6h h LYS 157 CO 0.00 0.45 0.06 1.37 -0.57 0.00 0.00 179.45 180.76 2k6h h LEU 158 N 0.14 1.01 -0.38 2.94 8.10 -1.18 -2.97 115.31 122.97 2k6h h LEU 158 Ca 0.06 -0.28 -0.13 0.00 0.11 0.00 0.00 57.88 57.64 2k6h h LEU 158 Cb 0.27 -0.27 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 2k6h h LEU 158 CO 0.00 1.04 -0.29 -0.37 -4.11 0.00 0.00 178.44 174.71 2k6h h VAL 159 N 0.95 1.28 -0.19 0.15 -1.51 -1.35 -2.57 116.25 113.01 2k6h h VAL 159 Ca 0.18 -1.45 -0.01 0.00 -1.23 0.00 0.00 66.70 64.19 2k6h h VAL 159 Cb 0.48 1.36 -0.01 0.00 -2.13 0.00 0.00 31.29 30.99 2k6h h VAL 159 CO 0.02 0.48 0.07 0.07 -1.23 0.00 0.00 177.57 176.98 2k6h h LYS 160 N 0.68 0.27 0.34 5.19 2.10 -1.25 0.30 116.57 124.20 2k6h h LYS 160 Ca 0.07 -0.03 -0.02 0.00 -2.00 0.00 0.00 60.65 58.68 2k6h h LYS 160 Cb 0.86 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 2k6h h LYS 160 CO 0.08 0.23 -0.17 -0.07 -2.00 0.00 0.00 179.45 177.52 2k6h h LEU 161 N 0.27 -0.39 -1.28 7.07 4.07 -1.34 0.38 115.31 124.08 2k6h h LEU 161 Ca 0.07 -0.12 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 2k6h h LEU 161 Cb 0.07 0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.89 2k6h h LEU 161 CO -0.01 -0.10 0.25 1.62 -1.08 0.00 0.00 178.44 179.13 2k6h h VAL 162 N -0.69 1.18 -0.17 1.22 3.04 -1.03 -1.84 116.25 117.96 2k6h h VAL 162 Ca -0.05 -0.51 -0.00 0.00 -1.01 0.00 0.00 66.70 65.13 2k6h h VAL 162 Cb 0.48 0.50 -0.01 0.00 -2.01 0.00 0.00 31.29 30.26 2k6h h VAL 162 CO 0.08 0.21 0.09 0.58 -1.01 0.00 0.00 177.57 177.52 2k6h h VAL 163 N 0.75 1.11 0.00 1.51 2.07 -0.88 0.22 116.25 121.02 2k6h h VAL 163 Ca 0.19 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2k6h h VAL 163 Cb 0.08 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2k6h h VAL 163 CO -0.02 0.10 0.00 0.23 0.02 0.00 0.00 177.57 177.90 2k6h n MET 164 N -4.91 0.74 0.00 1.57 2.00 0.12 -0.45 117.12 116.19 2k6h n MET 164 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.66 2k6h n MET 164 Cb 0.08 -1.04 0.00 0.00 0.00 0.00 0.00 33.22 32.26 2k6h n MET 164 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2k6h n VAL 165 N -0.43 0.00 0.22 2.03 0.31 -0.76 -4.80 118.33 114.91 2k6h n VAL 165 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 2k6h n VAL 165 Cb 0.02 -0.21 -0.08 0.00 -0.91 0.00 0.00 33.84 32.66 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 -0.66 0.95 -0.94 0.00 3.07 -1.45 -0.34 114.58 115.22 2k6h h GLU 167 Ca -0.05 -0.35 0.05 0.00 -0.50 0.00 0.00 59.36 58.51 2k6h h GLU 167 Cb 0.48 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.27 2k6h h GLU 167 CO 0.09 1.02 0.60 0.78 -1.40 0.00 0.00 179.01 180.09 2k6h h GLY 168 N 0.95 1.40 1.08 -3.84 0.00 -0.62 0.42 103.07 102.46 2k6h h GLY 168 Ca 0.13 -0.44 -0.14 0.00 0.00 0.00 0.00 47.33 46.87 2k6h h GLY 168 CO 0.05 0.34 -0.30 -2.00 0.00 0.00 0.00 176.54 174.62 2k6h h LEU 169 N 1.12 0.95 -0.08 3.11 5.85 -0.42 -3.28 115.31 122.55 2k6h h LEU 169 Ca 0.39 -0.44 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 2k6h h LEU 169 Cb 0.11 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.88 2k6h h LEU 169 CO -0.16 1.19 -0.26 0.03 -0.34 0.00 0.00 178.44 178.91 2k6h h ARG 170 N 0.72 0.32 -4.62 1.25 3.08 -0.53 -3.44 114.38 111.16 2k6h h ARG 170 Ca 0.07 -0.24 -0.68 0.00 0.07 0.00 0.00 59.98 59.21 2k6h h ARG 170 Cb 0.89 0.04 -0.36 0.00 0.08 0.00 0.00 29.97 30.61 2k6h h ARG 170 CO 0.08 0.86 -0.65 -0.06 -1.07 0.00 0.00 179.97 179.13 2k6h s PHE 171 N -3.80 3.58 0.54 3.04 0.40 0.14 -1.07 117.98 120.81 2k6h s PHE 171 Ca -0.14 -2.54 0.22 0.00 -0.60 0.00 0.00 56.93 53.87 2k6h s PHE 171 Cb 0.04 -2.87 1.42 0.00 0.51 0.00 0.00 43.02 42.11 2k6h s PHE 171 CO 0.76 -0.93 2.10 -0.91 0.70 0.00 0.00 175.22 176.94 2k6h h ASN 172 N 7.87 0.00 0.84 1.36 2.35 -0.87 -2.79 115.58 124.34 2k6h h ASN 172 Ca -0.11 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.60 2k6h h ASN 172 Cb 1.04 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.41 2k6h h ASN 172 CO 0.60 0.00 -0.49 0.00 -1.65 0.00 0.00 177.43 175.88 2k6h h THR 173 N 0.00 0.00 -0.23 2.81 1.03 -1.87 -1.74 112.91 112.92 2k6h h THR 173 Ca 0.10 0.00 -0.11 0.00 -0.01 0.00 0.00 66.41 66.39 2k6h h THR 173 Cb 0.41 0.00 -0.01 0.00 -1.07 0.00 0.00 68.15 67.48 2k6h h THR 173 CO -0.00 0.00 -0.32 1.62 -0.01 0.00 0.00 175.52 176.81 2k6h h VAL 174 N -1.24 1.28 0.21 0.00 3.04 -1.83 -1.19 116.25 116.52 2k6h h VAL 174 Ca -0.11 -1.41 -0.01 0.00 -1.01 0.00 0.00 66.70 64.16 2k6h h VAL 174 Cb 0.98 1.46 0.00 0.00 -2.01 0.00 0.00 31.29 31.73 2k6h h VAL 174 CO 0.13 0.44 -0.10 0.77 -1.01 0.00 0.00 177.57 177.80 2k6h h SER 175 N 0.41 -0.24 0.00 3.17 4.64 -1.56 -0.47 113.55 119.50 2k6h h SER 175 Ca 0.05 -0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.22 2k6h h SER 175 Cb 0.77 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.91 2k6h h SER 175 CO 0.06 -0.05 -0.13 0.03 -0.87 0.00 0.00 176.83 175.88 2k6h h ARG 176 N -0.42 0.27 0.97 4.77 3.08 -1.00 0.52 114.38 122.56 2k6h h ARG 176 Ca -0.03 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 2k6h h ARG 176 Cb 0.32 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.35 2k6h h ARG 176 CO 0.05 0.41 -0.47 1.15 -1.07 0.00 0.00 179.97 180.04 2k6h h THR 177 N 0.25 0.02 0.00 2.04 2.02 -1.10 -3.24 112.91 112.90 2k6h h THR 177 Ca 0.05 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 2k6h h THR 177 Cb 0.39 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.82 2k6h h THR 177 CO 0.02 0.00 -0.01 1.62 0.37 0.00 0.00 175.52 177.52 2k6h h VAL 178 N -1.34 0.02 -0.81 3.16 3.04 -0.61 -2.01 116.25 117.71 2k6h h VAL 178 Ca -0.13 -0.51 0.07 0.00 -1.01 0.00 0.00 66.70 65.11 2k6h h VAL 178 Cb 1.00 1.50 -0.06 0.00 -2.01 0.00 0.00 31.29 31.72 2k6h h VAL 178 CO 0.22 0.01 0.48 -0.78 -1.01 0.00 0.00 177.57 176.49 2k6h h ASP 179 N 0.00 0.73 -0.38 3.17 3.58 -0.94 0.31 116.42 122.89 2k6h h ASP 179 Ca -0.00 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 2k6h h ASP 179 Cb 0.50 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.41 2k6h h ASP 179 CO 0.00 0.45 0.14 0.00 -2.88 0.00 0.00 179.24 176.95 2k6h h ALA 180 N 1.41 1.42 -0.06 -0.78 0.00 -1.39 -2.63 119.26 117.23 2k6h h ALA 180 Ca 0.37 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 2k6h h ALA 180 Cb 0.24 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2k6h h ALA 180 CO -0.20 0.43 -0.50 0.78 0.00 0.00 0.00 179.25 179.76 2k6h h GLY 181 N 0.83 0.50 0.64 0.00 0.00 -1.25 -3.23 103.07 100.55 2k6h h GLY 181 Ca 0.15 -0.75 0.04 0.00 0.00 0.00 0.00 47.33 46.77 2k6h h GLY 181 CO -0.01 0.67 0.01 -2.75 0.00 0.00 0.00 176.54 174.46 2k6h h PHE 182 N -0.01 0.00 0.00 5.60 3.57 -0.16 -1.60 116.94 124.34 2k6h h PHE 182 Ca -0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2k6h h PHE 182 Cb 1.18 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.95 2k6h h PHE 182 CO 0.13 -0.03 0.00 0.27 -2.23 0.00 0.00 178.31 176.45 2k6h n ASN 183 N -5.14 0.00 -4.90 0.41 0.23 -1.02 -3.84 115.26 101.00 2k6h n ASN 183 Ca -0.01 0.43 -0.28 0.00 -0.53 0.00 0.00 54.58 54.19 2k6h n ASN 183 Cb 0.12 -0.48 -0.02 0.00 -2.08 0.00 0.00 39.78 37.33 2k6h n ASN 183 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2k6h s SER 184 N -2.95 6.39 0.22 0.53 0.15 -0.60 -5.01 113.70 112.42 2k6h s SER 184 Ca 0.15 0.83 0.18 0.00 0.70 0.00 0.00 55.95 57.81 2k6h s SER 184 Cb 0.18 -2.20 0.03 0.00 -1.71 0.00 0.00 66.02 62.32 2k6h s SER 184 CO 0.50 -0.37 1.20 0.06 1.20 0.00 0.00 173.24 175.84 2k6h h GLN 185 N 1.03 0.00 0.02 5.44 3.07 -1.89 -3.38 115.11 119.40 2k6h h GLN 185 Ca -0.48 0.00 -0.31 0.00 0.09 0.00 0.00 58.65 57.95 2k6h h GLN 185 Cb 1.20 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.71 2k6h h GLN 185 CO 0.64 0.28 -1.84 0.72 0.09 0.00 0.00 178.83 178.72 2k6h n HIS 186 N -3.01 0.91 -0.66 0.06 8.25 -1.26 -5.04 115.22 114.48 2k6h n HIS 186 Ca -0.02 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.75 2k6h n HIS 186 Cb 0.71 -1.16 0.00 0.00 1.12 0.00 0.00 29.99 30.66 2k6h n HIS 186 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k6h n GLY 187 N 1.65 -2.42 3.35 -1.41 0.00 -1.26 -4.90 105.19 100.21 2k6h n GLY 187 Ca -0.21 -1.58 -0.18 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.82 0.61 -0.18 1.61 -7.23 -0.33 -4.80 120.40 109.27 2k6h s VAL 188 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2k6h s VAL 188 Cb 0.00 -2.62 0.04 0.00 0.56 0.00 0.00 36.38 34.36 2k6h s VAL 188 CO 0.00 0.00 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.81 2k6h s THR 189 N -3.63 1.47 0.90 5.32 2.01 -1.26 -0.09 115.64 120.37 2k6h s THR 189 Ca 0.36 -0.86 -0.10 0.00 0.31 0.00 0.00 61.69 61.40 2k6h s THR 189 Cb 0.07 -1.56 0.14 0.00 0.01 0.00 0.00 72.50 71.16 2k6h s THR 189 CO 0.15 0.18 1.14 -1.48 -0.69 0.00 0.00 174.62 173.92 2k6h s LEU 190 N 1.48 2.85 0.28 4.42 -0.00 -1.26 -5.05 118.68 121.40 2k6h s LEU 190 Ca -0.00 2.16 0.08 0.00 -0.00 0.00 0.00 54.13 56.37 2k6h s LEU 190 Cb -0.16 -4.56 -0.04 0.00 -0.00 0.00 0.00 46.19 41.44 2k6h s LEU 190 CO -0.08 -3.04 0.18 0.28 -0.00 0.00 0.00 176.35 173.69 2k6h s THR 191 N -2.67 4.00 0.30 5.48 -1.32 -1.26 -4.80 115.64 115.37 2k6h s THR 191 Ca 0.66 -1.50 0.03 0.00 -1.21 0.00 0.00 61.69 59.67 2k6h s THR 191 Cb -0.22 -3.24 0.29 0.00 -1.51 0.00 0.00 72.50 67.82 2k6h s THR 191 CO 0.58 -0.30 1.85 -0.37 -2.21 0.00 0.00 174.62 174.17 2k6h h VAL 192 N 1.50 0.93 -0.14 5.08 -1.51 -1.98 -1.52 116.25 118.60 2k6h h VAL 192 Ca -0.47 -0.32 0.03 0.00 -1.23 0.00 0.00 66.70 64.71 2k6h h VAL 192 Cb 1.24 -0.10 -0.03 0.00 -2.13 0.00 0.00 31.29 30.28 2k6h h VAL 192 CO 0.60 0.17 -0.03 0.74 -1.23 0.00 0.00 177.57 177.83 2k6h h THR 193 N 0.94 0.87 0.08 7.19 2.02 -1.96 -0.50 112.91 121.55 2k6h h THR 193 Ca 0.47 -0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.65 2k6h h THR 193 Cb 0.49 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2k6h h THR 193 CO -0.24 0.00 -0.04 1.56 0.37 0.00 0.00 175.52 177.18 2k6h h GLN 194 N 0.01 -0.10 -0.25 6.66 4.20 -1.69 -0.95 115.11 122.98 2k6h h GLN 194 Ca 0.07 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.85 2k6h h GLN 194 Cb 0.10 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.83 2k6h h GLN 194 CO -0.14 0.07 -0.20 0.78 -0.67 0.00 0.00 178.83 178.67 2k6h h GLY 195 N -0.25 -0.06 0.80 3.46 0.00 -0.91 0.08 103.07 106.19 2k6h h GLY 195 Ca -0.01 0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 2k6h h GLY 195 CO 0.02 -0.18 0.02 0.50 0.00 0.00 0.00 176.54 176.89 2k6h h LYS 196 N -0.19 0.17 -0.19 4.80 1.57 -1.11 -2.95 116.57 118.66 2k6h h LYS 196 Ca 0.14 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.93 2k6h h LYS 196 Cb 0.41 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.64 2k6h h LYS 196 CO -0.37 0.37 -0.19 0.37 -0.57 0.00 0.00 179.45 179.06 2k6h h GLN 197 N -0.05 -0.20 -0.29 3.15 4.15 -0.58 -1.33 115.11 119.96 2k6h h GLN 197 Ca 0.03 0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.34 2k6h h GLN 197 Cb 0.27 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 2k6h h GLN 197 CO 0.00 -0.14 -0.35 -0.39 -1.93 0.00 0.00 178.83 176.03 2k6h h VAL 198 N -0.21 1.29 0.00 2.39 -1.51 -1.01 -2.73 116.25 114.47 2k6h h VAL 198 Ca 0.12 -1.49 -0.11 0.00 -1.23 0.00 0.00 66.70 63.99 2k6h h VAL 198 Cb 0.39 1.45 -0.02 0.00 -2.13 0.00 0.00 31.29 30.98 2k6h h VAL 198 CO -0.32 0.48 -0.51 1.56 -1.23 0.00 0.00 177.57 177.55 2k6h h GLN 199 N 0.53 0.00 -1.14 5.19 4.20 -1.33 -3.20 115.11 119.36 2k6h h GLN 199 Ca 0.06 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 58.14 2k6h h GLN 199 Cb 0.85 0.00 -0.26 0.00 0.30 0.00 0.00 27.48 28.37 2k6h h GLN 199 CO 0.07 0.51 0.81 1.17 -0.67 0.00 0.00 178.83 180.73 2k6h n LYS 200 N -3.60 2.55 0.06 1.46 3.00 -0.52 -4.70 118.16 116.42 2k6h n LYS 200 Ca -0.00 -3.03 0.20 0.00 -0.00 0.00 0.00 58.31 55.48 2k6h n LYS 200 Cb 0.59 -2.18 0.74 0.00 0.00 0.00 0.00 35.03 34.18 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 1.98 0.00 -1.02 5.64 7.01 -1.55 -0.45 115.95 127.57 2k6h h TRP 201 Ca 0.56 0.00 0.25 0.00 2.11 0.00 0.00 58.89 61.81 2k6h h TRP 201 Cb 0.79 0.00 -0.11 0.00 -2.10 0.00 0.00 29.16 27.73 2k6h h TRP 201 CO 1.33 0.00 0.62 0.22 -2.79 0.00 0.00 178.44 177.82 2k6h h ASP 202 N 0.00 0.60 -0.60 2.65 3.58 -1.91 0.14 116.42 120.88 2k6h h ASP 202 Ca 0.21 0.12 -0.07 0.00 0.42 0.00 0.00 57.03 57.71 2k6h h ASP 202 Cb 0.99 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 42.03 2k6h h ASP 202 CO -0.00 0.10 0.11 -0.09 -2.88 0.00 0.00 179.24 176.49 2k6h h ARG 203 N 0.52 1.01 -0.14 0.28 9.65 -1.45 -1.49 114.38 122.77 2k6h h ARG 203 Ca 0.63 -0.25 -0.03 0.00 -1.10 0.00 0.00 59.98 59.23 2k6h h ARG 203 Cb 1.31 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 29.76 2k6h h ARG 203 CO -0.41 0.92 -0.04 0.82 2.80 0.00 0.00 179.97 184.06 2k6h h ILE 204 N 0.95 1.30 -0.39 1.20 5.03 -0.95 -1.84 117.51 122.81 2k6h h ILE 204 Ca 0.19 -1.01 0.07 0.00 -0.12 0.00 0.00 64.86 63.99 2k6h h ILE 204 Cb 0.40 1.69 -0.07 0.00 -3.03 0.00 0.00 36.82 35.81 2k6h h ILE 204 CO 0.01 0.29 -0.03 0.28 -0.68 0.00 0.00 178.15 178.02 2k6h h SER 205 N -0.05 -0.22 -0.11 1.72 0.02 -0.67 0.10 113.55 114.34 2k6h h SER 205 Ca 0.03 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2k6h h SER 205 Cb 0.48 0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.20 2k6h h SER 205 CO 0.02 -0.07 0.03 0.07 -1.14 0.00 0.00 176.83 175.74 2k6h h LYS 206 N 0.07 0.18 -0.30 3.45 2.10 -1.31 -3.18 116.57 117.57 2k6h h LYS 206 Ca 0.19 -0.04 -0.00 0.00 -2.00 0.00 0.00 60.65 58.80 2k6h h LYS 206 Cb 0.28 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.57 2k6h h LYS 206 CO -0.34 0.32 0.18 0.00 -2.00 0.00 0.00 179.45 177.60 2k6h h ALA 207 N 0.85 1.75 -0.40 0.07 0.00 -0.58 -0.20 119.26 120.74 2k6h h ALA 207 Ca 0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k6h h ALA 207 Cb 0.22 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2k6h h ALA 207 CO -0.00 0.22 0.24 0.00 0.00 0.00 0.00 179.25 179.71 2k6h h ALA 208 N 1.79 0.52 -0.27 0.00 0.00 -0.80 0.82 119.26 121.31 2k6h h ALA 208 Ca 0.11 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2k6h h ALA 208 Cb -0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2k6h h ALA 208 CO -0.02 0.02 -0.26 0.35 0.00 0.00 0.00 179.25 179.33 2k6h h PHE 209 N 0.53 0.78 -0.59 0.00 3.04 -1.40 -1.95 116.94 117.35 2k6h h PHE 209 Ca 0.14 -0.23 0.05 0.00 3.98 0.00 0.00 57.97 61.91 2k6h h PHE 209 Cb 0.02 -0.16 -0.05 0.00 2.56 0.00 0.00 35.95 38.31 2k6h h PHE 209 CO -0.03 0.96 0.32 1.49 -2.02 0.00 0.00 178.31 179.02 2k6h h GLU 210 N 0.38 0.58 0.00 1.11 4.81 -0.74 -0.31 114.58 120.41 2k6h h GLU 210 Ca 0.04 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2k6h h GLU 210 Cb 0.83 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.08 2k6h h GLU 210 CO 0.07 0.38 0.00 0.91 -0.73 0.00 0.00 179.01 179.64 2k6h n TRP 211 N -4.83 0.86 -0.11 0.92 8.01 0.25 -1.10 117.44 121.44 2k6h n TRP 211 Ca 0.06 0.26 -0.13 0.00 -1.31 0.00 0.00 57.50 56.38 2k6h n TRP 211 Cb 0.15 -0.92 -0.03 0.00 -2.01 0.00 0.00 31.31 28.50 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 2.54 0.50 0.10 6.99 0.00 -0.28 -3.36 119.26 125.75 2k6h h ALA 212 Ca 0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 2k6h h ALA 212 Cb 0.70 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2k6h h ALA 212 CO 0.00 0.57 -0.05 0.22 0.00 0.00 0.00 179.25 179.99 2k6h h ASP 213 N 0.62 -0.11 -3.59 0.00 3.58 -1.13 -3.43 116.42 112.36 2k6h h ASP 213 Ca 0.05 -0.45 -0.70 0.00 0.42 0.00 0.00 57.03 56.35 2k6h h ASP 213 Cb 0.93 0.03 -0.20 0.00 1.72 0.00 0.00 39.33 41.81 2k6h h ASP 213 CO 0.09 0.53 -0.44 -1.00 -2.88 0.00 0.00 179.24 175.54 2k6h s HIS 214 N -2.93 3.23 0.23 0.28 3.76 -0.26 -5.01 115.29 114.60 2k6h s HIS 214 Ca -0.12 -0.42 -0.06 0.00 -0.15 0.00 0.00 55.06 54.30 2k6h s HIS 214 Cb -0.00 -2.56 0.39 0.00 1.11 0.00 0.00 32.58 31.52 2k6h s HIS 214 CO 0.46 -0.50 1.73 -1.00 -0.85 0.00 0.00 174.74 174.58 2k6h h PRO 215 N 8.57 0.38 -1.56 8.40 0.13 -1.84 -3.25 132.00 142.84 2k6h h PRO 215 Ca -0.29 -0.02 -0.33 0.00 -0.87 0.00 0.00 66.00 64.49 2k6h h PRO 215 Cb 1.13 -0.09 -0.25 0.00 0.13 0.00 0.00 31.00 31.93 2k6h h PRO 215 CO 0.69 0.25 -0.69 -2.37 -0.23 0.00 0.00 178.00 175.65 2k6h n THR 216 N -5.03 -0.50 -1.83 1.56 5.66 -1.26 -4.76 114.28 108.11 2k6h n THR 216 Ca 0.12 -2.00 -0.35 0.00 -3.05 0.00 0.00 64.05 58.77 2k6h n THR 216 Cb 0.37 -0.09 0.05 0.00 -1.55 0.00 0.00 70.33 69.11 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 0.53 2.43 0.02 1.79 0.00 -1.22 -5.02 121.76 120.29 2k6h s ALA 217 Ca 0.31 0.92 -0.30 0.00 0.00 0.00 0.00 51.96 52.89 2k6h s ALA 217 Cb 0.02 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 2k6h s ALA 217 CO -0.11 -1.36 1.28 0.54 0.00 0.00 0.00 175.76 176.11 2k6h s VAL 218 N -1.79 3.90 -0.45 0.00 0.11 -1.26 -4.98 120.40 115.94 2k6h s VAL 218 Ca 0.75 1.32 0.03 0.00 -2.93 0.00 0.00 61.98 61.15 2k6h s VAL 218 Cb -0.29 -3.85 0.13 0.00 -1.53 0.00 0.00 36.38 30.85 2k6h s VAL 218 CO 0.37 0.05 0.23 -0.63 -3.33 0.00 0.00 175.10 171.78 2k6h s ILE 219 N 1.74 1.76 0.41 7.04 1.01 -1.26 -4.99 121.20 126.90 2k6h s ILE 219 Ca 0.60 -2.69 0.10 0.00 0.00 0.00 0.00 60.65 58.66 2k6h s ILE 219 Cb -0.30 -2.23 0.19 0.00 0.01 0.00 0.00 42.46 40.13 2k6h s ILE 219 CO 0.27 -0.84 1.97 1.55 0.00 0.00 0.00 174.94 177.89 2k6h h PRO 220 N 6.79 0.25 0.00 2.79 0.13 -1.97 -0.31 132.00 139.69 2k6h h PRO 220 Ca -0.04 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2k6h h PRO 220 Cb 0.93 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2k6h h PRO 220 CO 0.54 0.32 0.00 -0.25 -0.23 0.00 0.00 178.00 178.38 2k6h n ASP 221 N -4.34 0.00 -0.02 1.44 8.00 -1.26 -1.84 116.55 118.53 2k6h n ASP 221 Ca -0.00 0.41 -0.02 0.00 0.71 0.00 0.00 54.79 55.89 2k6h n ASP 221 Cb 0.21 -0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 40.86 2k6h n ASP 221 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 2k6h n MET 222 N -1.43 0.89 0.01 -1.24 1.56 -0.38 -4.63 117.12 111.90 2k6h n MET 222 Ca 0.01 0.01 0.15 0.00 -0.27 0.00 0.00 57.70 57.61 2k6h n MET 222 Cb 0.05 -1.07 0.61 0.00 2.15 0.00 0.00 33.22 34.96 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 0.15 -0.06 2.12 4.20 -0.87 -0.65 115.11 120.00 2k6h h GLN 223 Ca -0.07 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.65 2k6h h GLN 223 Cb 1.12 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.87 2k6h h GLN 223 CO -0.01 0.10 0.05 -0.22 -0.67 0.00 0.00 178.83 178.08 2k6h h LYS 224 N 0.16 0.00 -0.46 1.46 1.63 -1.62 -0.43 116.57 117.30 2k6h h LYS 224 Ca 0.22 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 2k6h h LYS 224 Cb 0.66 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 2k6h h LYS 224 CO -0.03 0.00 0.00 1.28 -3.45 0.00 0.00 179.45 177.25 2k6h n LEU 225 N -4.39 2.44 0.00 5.20 7.99 -0.26 -4.93 117.00 123.06 2k6h n LEU 225 Ca -0.02 -1.22 0.00 0.00 -0.01 0.00 0.00 56.01 54.77 2k6h n LEU 225 Cb 0.15 -0.31 0.00 0.00 -0.11 0.00 0.00 43.42 43.16 2k6h n LEU 225 CO 0.33 0.61 0.00 0.61 -1.51 0.00 0.00 177.39 177.43 2k6h n GLY 226 N 1.22 1.60 3.44 -0.72 0.00 -0.17 -4.91 105.19 105.65 2k6h n GLY 226 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.86 4.42 -1.21 -0.61 1.01 -1.18 -4.89 121.20 115.88 2k6h s ILE 227 Ca 0.00 -0.43 0.23 0.00 0.00 0.00 0.00 60.65 60.45 2k6h s ILE 227 Cb 0.00 -4.64 -0.09 0.00 0.01 0.00 0.00 42.46 37.74 2k6h s ILE 227 CO 0.00 -1.37 1.13 2.29 0.00 0.00 0.00 174.94 176.99 2k6h n LYS 228 N 7.44 0.24 -3.67 2.79 0.00 -1.26 -2.97 118.16 120.72 2k6h n LYS 228 Ca -0.05 -0.18 -0.10 0.00 -0.00 0.00 0.00 58.31 57.98 2k6h n LYS 228 Cb 0.45 -1.50 -0.05 0.00 -0.00 0.00 0.00 35.03 33.94 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 -2.89 -0.19 0.26 -5.58 -1.08 -1.26 -4.92 116.67 101.01 2k6h s ASP 229 Ca 0.12 -0.38 -0.03 0.00 -0.52 0.00 0.00 52.55 51.74 2k6h s ASP 229 Cb 0.17 0.47 0.38 0.00 -1.46 0.00 0.00 42.92 42.48 2k6h s ASP 229 CO 0.75 -0.86 1.89 0.50 0.52 0.00 0.00 175.17 177.97 2k6h h LYS 230 N 2.40 1.18 -0.69 4.34 3.64 -1.94 -1.32 116.57 124.18 2k6h h LYS 230 Ca -0.34 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 58.96 2k6h h LYS 230 Cb 1.25 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 2k6h h LYS 230 CO 0.47 0.78 0.36 -0.91 -2.27 0.00 0.00 179.45 177.88 2k6h h ASN 231 N 1.22 0.86 -0.13 4.20 2.35 -1.96 0.12 115.58 122.23 2k6h h ASN 231 Ca 0.42 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 56.08 2k6h h ASN 231 Cb 0.11 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 2k6h h ASN 231 CO -0.16 0.71 -0.00 -0.08 -1.65 0.00 0.00 177.43 176.25 2k6h h GLU 232 N 0.96 0.22 -0.67 0.81 4.57 -1.74 -2.41 114.58 116.32 2k6h h GLU 232 Ca 0.24 -0.07 0.05 0.00 -1.18 0.00 0.00 59.36 58.40 2k6h h GLU 232 Cb 0.05 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.57 2k6h h GLU 232 CO -0.04 0.46 0.38 0.00 -1.18 0.00 0.00 179.01 178.64 2k6h h ALA 233 N 0.75 0.90 0.00 2.92 0.00 -0.69 -0.76 119.26 122.37 2k6h h ALA 233 Ca 0.04 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2k6h h ALA 233 Cb 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2k6h h ALA 233 CO 0.01 0.08 -0.30 0.00 0.00 0.00 0.00 179.25 179.03 2k6h h ALA 234 N 1.34 1.45 0.19 0.00 0.00 -0.67 0.76 119.26 122.32 2k6h h ALA 234 Ca 0.30 -0.27 -0.34 0.00 0.00 0.00 0.00 54.91 54.59 2k6h h ALA 234 Cb 0.16 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2k6h h ALA 234 CO -0.17 0.38 -1.68 0.07 0.00 0.00 0.00 179.25 177.85 2k6h h ARG 235 N 0.00 0.40 -0.30 0.00 0.11 -1.08 -3.39 114.38 110.12 2k6h h ARG 235 Ca -0.00 -0.68 -0.15 0.00 0.10 0.00 0.00 59.98 59.25 2k6h h ARG 235 Cb 0.55 0.25 -0.01 0.00 1.11 0.00 0.00 29.97 31.88 2k6h h ARG 235 CO 0.04 1.31 -0.42 0.82 0.10 0.00 0.00 179.97 181.81 2k6h h ILE 236 N 0.11 1.29 -4.02 0.08 2.04 -0.88 -3.42 117.51 112.72 2k6h h ILE 236 Ca -0.32 -1.61 -0.50 0.00 1.00 0.00 0.00 64.86 63.44 2k6h h ILE 236 Cb 2.10 1.51 -0.23 0.00 -0.74 0.00 0.00 36.82 39.46 2k6h h ILE 236 CO 0.19 0.52 -0.81 -0.69 0.00 0.00 0.00 178.15 177.36 2k6h s VAL 237 N -4.27 1.41 0.00 1.67 1.01 0.24 -0.36 120.40 120.10 2k6h s VAL 237 Ca -0.09 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 60.62 2k6h s VAL 237 Cb 0.12 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.21 2k6h s VAL 237 CO 0.85 -0.02 0.64 0.00 0.00 0.00 0.00 175.10 176.58 2k6h n ALA 238 N 1.52 1.36 -3.72 5.51 0.00 -0.24 -4.40 120.51 120.54 2k6h n ALA 238 Ca -0.19 -0.64 -0.12 0.00 0.00 0.00 0.00 53.44 52.49 2k6h n ALA 238 Cb 0.54 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.36 0.22 0.12 0.00 1.43 -1.26 -3.81 118.68 115.03 2k6h s LEU 239 Ca 0.00 0.65 0.03 0.00 -1.03 0.00 0.00 54.13 53.78 2k6h s LEU 239 Cb 0.00 0.93 -0.04 0.00 0.03 0.00 0.00 46.19 47.11 2k6h s LEU 239 CO 0.00 -0.18 -0.09 0.68 0.23 0.00 0.00 176.35 176.99 2k6h s VAL 240 N 1.35 0.95 0.90 -1.59 -7.23 -0.92 -4.98 120.40 108.89 2k6h s VAL 240 Ca -0.09 -1.88 -0.11 0.00 -1.81 0.00 0.00 61.98 58.09 2k6h s VAL 240 Cb -0.10 -1.63 0.14 0.00 0.56 0.00 0.00 36.38 35.35 2k6h s VAL 240 CO -0.10 -0.72 1.11 -0.75 -0.31 0.00 0.00 175.10 174.33 2k6h s LYS 241 N -3.45 1.14 -0.88 4.82 2.20 -1.26 -1.77 119.74 120.54 2k6h s LYS 241 Ca 0.11 1.29 -0.25 0.00 -0.36 0.00 0.00 55.97 56.76 2k6h s LYS 241 Cb 0.02 -1.76 -0.05 0.00 -1.51 0.00 0.00 37.83 34.52 2k6h s LYS 241 CO -0.01 -2.46 1.98 1.21 -0.36 0.00 0.00 175.35 175.71 2k6h s ASN 242 N -2.93 5.05 -1.38 1.43 2.47 -1.26 -4.46 114.94 113.86 2k6h s ASN 242 Ca 0.65 -0.57 -0.14 0.00 0.42 0.00 0.00 52.86 53.22 2k6h s ASN 242 Cb -0.21 -2.56 -0.01 0.00 -1.45 0.00 0.00 41.25 37.03 2k6h s ASN 242 CO 0.58 -2.82 2.29 0.00 -3.72 0.00 0.00 177.10 173.43 2k6h n GLN 243 N 8.87 2.76 -0.06 0.43 1.13 -1.26 -4.59 117.38 124.66 2k6h n GLN 243 Ca 0.40 -2.41 -0.14 0.00 -1.94 0.00 0.00 57.00 52.91 2k6h n GLN 243 Cb 0.47 -3.15 -0.02 0.00 0.11 0.00 0.00 30.24 27.65 2k6h n GLN 243 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2k6h h THR 244 N 3.91 1.28 -3.49 5.09 1.03 -2.00 -3.45 112.91 115.29 2k6h h THR 244 Ca 0.59 -1.74 -0.53 0.00 -0.01 0.00 0.00 66.41 64.73 2k6h h THR 244 Cb 0.58 1.64 0.06 0.00 -1.07 0.00 0.00 68.15 69.36 2k6h h THR 244 CO 1.87 0.56 0.73 -0.89 -0.01 0.00 0.00 175.52 177.78 2k6h s THR 245 N -4.11 2.70 0.98 0.00 2.01 -1.26 -5.02 115.64 110.93 2k6h s THR 245 Ca -0.10 0.61 -0.12 0.00 0.31 0.00 0.00 61.69 62.39 2k6h s THR 245 Cb 0.10 -3.39 0.18 0.00 0.01 0.00 0.00 72.50 69.40 2k6h s THR 245 CO 0.88 0.11 1.08 0.00 -0.69 0.00 0.00 174.62 176.00 2k6h s ALA 246 N -0.25 0.99 -1.12 7.40 0.00 -1.26 -4.94 121.76 122.58 2k6h s ALA 246 Ca 0.57 -0.14 -0.21 0.00 0.00 0.00 0.00 51.96 52.18 2k6h s ALA 246 Cb -0.41 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 19.55 2k6h s ALA 246 CO 0.45 -2.80 1.67 0.00 0.00 0.00 0.00 175.76 175.08 2k6h s ALA 247 N -2.85 2.68 -2.00 0.00 0.00 -1.26 -5.13 121.76 113.21 2k6h s ALA 247 Ca 0.65 -2.39 0.13 0.00 0.00 0.00 0.00 51.96 50.36 2k6h s ALA 247 Cb -0.20 -4.59 0.78 0.00 0.00 0.00 0.00 23.12 19.11 2k6h s ALA 247 CO 0.59 -3.85 1.20 0.00 0.00 0.00 0.00 175.76 173.70