#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0k s ARG 2 N 0.00 2.51 0.35 2.12 0.52 -1.26 -4.97 118.95 118.22 1j0k s ARG 2 Ca 0.00 -1.23 0.03 0.00 -0.52 0.00 0.00 55.73 54.01 1j0k s ARG 2 Cb 0.00 -3.28 0.65 0.00 0.52 0.00 0.00 34.95 32.84 1j0k s ARG 2 CO 0.00 -0.63 1.99 0.87 0.02 0.00 0.00 175.30 177.55 1j0k h LYS 3 N 8.08 0.76 -1.10 3.54 1.57 -2.03 -2.52 116.57 124.87 1j0k h LYS 3 Ca -0.22 -0.06 0.30 0.00 -1.87 0.00 0.00 60.65 58.80 1j0k h LYS 3 Cb 1.07 -0.16 -0.10 0.00 0.08 0.00 0.00 32.23 33.12 1j0k h LYS 3 CO 0.56 0.54 0.71 0.93 -0.57 0.00 0.00 179.45 181.61 1j0k h GLU 4 N 0.78 0.30 -0.01 3.15 4.39 -2.03 -0.67 114.58 120.49 1j0k h GLU 4 Ca 0.20 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1j0k h GLU 4 Cb -0.03 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1j0k h GLU 4 CO -0.04 0.20 -0.61 0.00 -1.16 0.00 0.00 179.01 177.41 1j0k n ALA 5 N -2.49 3.85 -1.77 3.43 0.00 -0.95 -4.94 120.51 117.65 1j0k n ALA 5 Ca 0.28 -0.51 -0.39 0.00 0.00 0.00 0.00 53.44 52.82 1j0k n ALA 5 Cb 1.00 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 1j0k n ALA 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1j0k s ILE 6 N -2.78 3.35 -0.22 0.00 1.01 -0.26 -4.40 121.20 117.89 1j0k s ILE 6 Ca 0.14 1.21 -0.27 0.00 0.00 0.00 0.00 60.65 61.73 1j0k s ILE 6 Cb 0.17 -3.71 0.11 0.00 0.01 0.00 0.00 42.46 39.05 1j0k s ILE 6 CO 0.69 0.18 0.95 -0.47 0.00 0.00 0.00 174.94 176.29 1j0k s TYR 7 N -1.35 -0.49 -0.25 3.97 5.04 -0.73 -5.01 117.35 118.54 1j0k s TYR 7 Ca 0.52 1.07 -0.26 0.00 -2.44 0.00 0.00 57.07 55.96 1j0k s TYR 7 Cb -0.30 0.38 0.11 0.00 0.35 0.00 0.00 41.96 42.50 1j0k s TYR 7 CO 0.39 -0.32 0.94 -1.58 -1.34 0.00 0.00 175.55 173.64 1j0k s HIS 8 N -0.31 -0.54 -0.11 4.97 5.65 -1.26 -1.81 115.29 121.89 1j0k s HIS 8 Ca -0.00 1.24 -0.06 0.00 0.25 0.00 0.00 55.06 56.49 1j0k s HIS 8 Cb -0.03 0.36 0.04 0.00 -1.18 0.00 0.00 32.58 31.77 1j0k s HIS 8 CO -0.01 -0.30 0.25 0.50 -0.65 0.00 0.00 174.74 174.53 1j0k s ARG 9 N -0.03 0.22 -0.82 2.88 3.52 -1.26 -5.07 118.95 118.39 1j0k s ARG 9 Ca 0.01 0.52 -0.26 0.00 -0.13 0.00 0.00 55.73 55.87 1j0k s ARG 9 Cb -0.04 -0.09 -0.21 0.00 -1.56 0.00 0.00 34.95 33.04 1j0k s ARG 9 CO -0.03 -0.15 1.92 -2.30 -0.81 0.00 0.00 175.30 173.93 1j0k n PRO 10 N 4.10 0.74 0.00 5.12 -0.02 -1.26 -3.96 135.00 139.72 1j0k n PRO 10 Ca -0.24 -1.79 0.00 0.00 -2.02 0.00 0.00 63.50 59.45 1j0k n PRO 10 Cb 0.54 -3.40 0.00 0.00 -0.02 0.00 0.00 33.50 30.62 1j0k n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j0k n ALA 11 N 13.94 0.00 -0.24 3.55 0.00 -1.20 -4.89 120.51 131.67 1j0k n ALA 11 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1j0k n ALA 11 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1j0k n ALA 11 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1j0k n ASP 12 N 0.00 0.00 -0.11 0.00 8.00 -1.22 -2.10 116.55 121.13 1j0k n ASP 12 Ca 0.00 0.00 0.26 0.00 0.71 0.00 0.00 54.79 55.76 1j0k n ASP 12 Cb 0.00 0.00 0.72 0.00 -0.02 0.00 0.00 41.12 41.82 1j0k n ASP 12 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1j0k h ASN 13 N 2.09 0.00 0.74 -2.24 -1.07 -1.85 -2.69 115.58 110.57 1j0k h ASN 13 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 56.30 56.12 1j0k h ASN 13 Cb 0.00 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.21 1j0k h ASN 13 CO 0.00 0.00 -1.33 -0.26 0.07 0.00 0.00 177.43 175.91 1j0k h PHE 14 N 0.00 0.04 -2.82 4.14 -1.00 -1.62 -3.43 116.94 112.26 1j0k h PHE 14 Ca 0.36 -0.03 -0.20 0.00 2.81 0.00 0.00 57.97 60.91 1j0k h PHE 14 Cb 1.55 -0.00 -0.32 0.00 3.61 0.00 0.00 35.95 40.79 1j0k h PHE 14 CO 0.00 1.03 -0.51 0.00 -1.61 0.00 0.00 178.31 177.23 1j0k s ALA 15 N -2.66 -0.64 0.17 2.45 0.00 -1.01 -0.48 121.76 119.59 1j0k s ALA 15 Ca -0.02 1.01 -0.23 0.00 0.00 0.00 0.00 51.96 52.72 1j0k s ALA 15 Cb 0.09 -1.05 0.06 0.00 0.00 0.00 0.00 23.12 22.22 1j0k s ALA 15 CO 0.82 -0.65 0.65 1.52 0.00 0.00 0.00 175.76 178.11 1j0k s TYR 16 N 2.42 -0.46 -0.30 0.00 -0.85 -0.91 -3.21 117.35 114.04 1j0k s TYR 16 Ca 0.01 0.22 -0.20 0.00 -0.52 0.00 0.00 57.07 56.57 1j0k s TYR 16 Cb -0.12 0.58 -0.01 0.00 0.38 0.00 0.00 41.96 42.79 1j0k s TYR 16 CO -0.09 -0.89 0.63 0.00 -1.52 0.00 0.00 175.55 173.68 1j0k s ALA 17 N -3.72 3.54 -0.08 9.51 0.00 -1.26 -0.18 121.76 129.57 1j0k s ALA 17 Ca 0.03 -0.62 -0.08 0.00 0.00 0.00 0.00 51.96 51.29 1j0k s ALA 17 Cb -0.02 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 1j0k s ALA 17 CO -0.09 -1.05 0.29 -0.92 0.00 0.00 0.00 175.76 173.99 1j0k h TYR 18 N 8.16 -0.18 -2.58 0.00 3.20 -1.06 -3.40 116.97 121.11 1j0k h TYR 18 Ca -0.27 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.60 1j0k h TYR 18 Cb 1.12 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.45 1j0k h TYR 18 CO 0.76 -0.04 0.00 -0.40 -1.64 0.00 0.00 178.16 176.84 1j0k n ASP 19 N -4.90 1.30 0.19 -2.11 3.85 -0.88 -4.85 116.55 109.14 1j0k n ASP 19 Ca -0.03 -0.29 0.03 0.00 -0.71 0.00 0.00 54.79 53.79 1j0k n ASP 19 Cb 0.11 0.00 0.37 0.00 -1.35 0.00 0.00 41.12 40.25 1j0k n ASP 19 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1j0k h SER 20 N 0.00 0.00 0.00 -1.12 0.02 -1.96 -3.33 113.55 107.16 1j0k h SER 20 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1j0k h SER 20 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1j0k h SER 20 CO 0.00 0.37 -1.38 -1.84 -1.14 0.00 0.00 176.83 172.84 1j0k n GLU 21 N -4.01 0.42 -4.11 3.45 0.28 -1.26 -4.88 120.64 110.52 1j0k n GLU 21 Ca -0.02 -0.07 -0.34 0.00 -0.16 0.00 0.00 57.16 56.57 1j0k n GLU 21 Cb 0.41 -1.19 -0.10 0.00 1.43 0.00 0.00 31.44 31.99 1j0k n GLU 21 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1j0k s THR 22 N -2.54 4.60 -0.03 3.84 2.01 -1.25 -3.93 115.64 118.35 1j0k s THR 22 Ca -0.03 -0.11 0.05 0.00 0.31 0.00 0.00 61.69 61.91 1j0k s THR 22 Cb 0.05 -3.05 -0.01 0.00 0.01 0.00 0.00 72.50 69.50 1j0k s THR 22 CO 0.33 0.49 -0.17 -1.48 -0.69 0.00 0.00 174.62 173.10 1j0k s LEU 23 N 0.20 1.98 -0.01 4.42 0.05 -0.90 -0.40 118.68 124.02 1j0k s LEU 23 Ca 0.03 -0.32 -0.03 0.00 0.05 0.00 0.00 54.13 53.86 1j0k s LEU 23 Cb -0.13 -0.91 -0.04 0.00 -2.05 0.00 0.00 46.19 43.07 1j0k s LEU 23 CO 0.01 0.18 0.19 -1.00 -0.55 0.00 0.00 176.35 175.18 1j0k s HIS 24 N -0.21 3.55 -0.02 3.48 3.76 0.74 -2.21 115.29 124.38 1j0k s HIS 24 Ca 0.02 0.36 0.03 0.00 -0.15 0.00 0.00 55.06 55.32 1j0k s HIS 24 Cb -0.09 -1.83 -0.00 0.00 1.11 0.00 0.00 32.58 31.77 1j0k s HIS 24 CO 0.00 0.64 -0.11 -0.51 -0.85 0.00 0.00 174.74 173.92 1j0k s LEU 25 N -1.97 1.86 0.19 0.89 1.43 0.59 -2.14 118.68 119.54 1j0k s LEU 25 Ca 0.28 -0.22 0.11 0.00 -1.03 0.00 0.00 54.13 53.27 1j0k s LEU 25 Cb -0.13 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.41 1j0k s LEU 25 CO 0.19 0.10 -0.24 -0.13 0.23 0.00 0.00 176.35 176.50 1j0k s ARG 26 N 0.06 1.50 0.02 1.70 0.52 0.37 -0.84 118.95 122.29 1j0k s ARG 26 Ca -0.01 -1.52 -0.00 0.00 -0.52 0.00 0.00 55.73 53.68 1j0k s ARG 26 Cb -0.08 -1.81 -0.02 0.00 0.52 0.00 0.00 34.95 33.55 1j0k s ARG 26 CO 0.01 0.39 -0.03 -1.17 0.02 0.00 0.00 175.30 174.51 1j0k s LEU 27 N -2.67 2.27 -0.08 2.53 2.96 -0.82 -4.82 118.68 118.05 1j0k s LEU 27 Ca 0.20 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 1j0k s LEU 27 Cb -0.08 0.10 0.01 0.00 0.50 0.00 0.00 46.19 46.72 1j0k s LEU 27 CO 0.10 -0.33 -0.13 -0.60 -1.32 0.00 0.00 176.35 174.07 1j0k s ARG 28 N -1.73 1.81 0.38 1.98 3.52 -0.75 0.01 118.95 124.17 1j0k s ARG 28 Ca -0.13 -0.44 0.04 0.00 -0.13 0.00 0.00 55.73 55.07 1j0k s ARG 28 Cb -0.08 -1.52 -0.03 0.00 -1.56 0.00 0.00 34.95 31.75 1j0k s ARG 28 CO -0.02 -0.00 0.11 0.95 -0.81 0.00 0.00 175.30 175.53 1j0k s THR 29 N 0.78 0.71 0.38 4.11 -4.23 0.23 -1.77 115.64 115.85 1j0k s THR 29 Ca -0.12 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.13 1j0k s THR 29 Cb -0.16 -2.46 -0.09 0.00 1.34 0.00 0.00 72.50 71.14 1j0k s THR 29 CO 0.02 0.00 1.23 -0.75 -0.54 0.00 0.00 174.62 174.59 1j0k s LYS 30 N -3.77 4.11 0.05 3.99 2.20 -1.26 0.20 119.74 125.26 1j0k s LYS 30 Ca 0.27 2.01 -0.30 0.00 -0.36 0.00 0.00 55.97 57.59 1j0k s LYS 30 Cb 0.04 -2.80 -0.09 0.00 -1.51 0.00 0.00 37.83 33.47 1j0k s LYS 30 CO 0.15 -0.33 1.87 0.21 -0.36 0.00 0.00 175.35 176.89 1j0k s LYS 31 N -2.14 4.15 0.00 4.03 2.20 -1.22 -1.74 119.74 125.02 1j0k s LYS 31 Ca 0.55 2.54 0.00 0.00 -0.36 0.00 0.00 55.97 58.70 1j0k s LYS 31 Cb -0.35 -3.93 0.00 0.00 -1.51 0.00 0.00 37.83 32.04 1j0k s LYS 31 CO 0.45 -0.89 0.00 -0.25 -0.36 0.00 0.00 175.35 174.29 1j0k n ASP 32 N 6.80 0.00 0.20 1.43 8.00 -1.26 -4.87 116.55 126.85 1j0k n ASP 32 Ca 0.19 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.74 1j0k n ASP 32 Cb 0.40 -0.66 0.41 0.00 -0.02 0.00 0.00 41.12 41.26 1j0k n ASP 32 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1j0k h ASP 33 N 0.00 0.00 -3.99 -2.24 3.58 -1.72 -3.44 116.42 108.62 1j0k h ASP 33 Ca 0.00 0.00 -0.69 0.00 0.42 0.00 0.00 57.03 56.76 1j0k h ASP 33 Cb 0.00 0.00 -0.22 0.00 1.72 0.00 0.00 39.33 40.83 1j0k h ASP 33 CO 0.00 0.34 -0.81 -0.63 -2.88 0.00 0.00 179.24 175.26 1j0k s ILE 34 N -3.94 2.75 -0.16 2.25 -1.09 -1.26 -3.94 121.20 115.81 1j0k s ILE 34 Ca -0.02 -1.20 -0.13 0.00 -2.23 0.00 0.00 60.65 57.07 1j0k s ILE 34 Cb 0.13 -2.15 -0.09 0.00 -1.58 0.00 0.00 42.46 38.76 1j0k s ILE 34 CO 0.68 0.34 0.01 0.44 -1.23 0.00 0.00 174.94 175.18 1j0k h ASP 35 N 4.55 0.00 -5.12 3.58 3.45 -1.52 -3.49 116.42 117.86 1j0k h ASP 35 Ca -0.48 -0.21 -0.13 0.00 0.43 0.00 0.00 57.03 56.64 1j0k h ASP 35 Cb 1.15 0.00 -0.17 0.00 -0.56 0.00 0.00 39.33 39.75 1j0k h ASP 35 CO 0.47 0.99 -0.63 0.00 -1.57 0.00 0.00 179.24 178.51 1j0k s ARG 36 N -2.22 0.53 0.01 3.56 1.70 -1.22 -5.04 118.95 116.27 1j0k s ARG 36 Ca -0.18 -0.91 0.02 0.00 -0.47 0.00 0.00 55.73 54.19 1j0k s ARG 36 Cb 0.03 0.19 -0.01 0.00 -0.57 0.00 0.00 34.95 34.59 1j0k s ARG 36 CO 0.35 -0.11 -0.07 0.08 -1.08 0.00 0.00 175.30 174.46 1j0k s VAL 37 N -2.87 0.53 -0.07 4.99 1.01 -1.26 -1.80 120.40 120.94 1j0k s VAL 37 Ca -0.03 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1j0k s VAL 37 Cb 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 36.38 35.91 1j0k s VAL 37 CO -0.06 0.03 -0.10 -1.61 0.00 0.00 0.00 175.10 173.35 1j0k s GLU 38 N -0.49 1.55 -0.00 2.72 2.02 -0.52 0.43 118.70 124.40 1j0k s GLU 38 Ca -0.00 -0.34 -0.30 0.00 0.02 0.00 0.00 54.97 54.34 1j0k s GLU 38 Cb -0.04 -1.35 -0.03 0.00 0.10 0.00 0.00 34.13 32.80 1j0k s GLU 38 CO -0.00 -0.03 1.04 -1.17 0.02 0.00 0.00 175.26 175.11 1j0k s LEU 39 N 0.86 4.35 -0.21 1.80 2.96 0.36 -0.58 118.68 128.23 1j0k s LEU 39 Ca -0.11 1.72 -0.13 0.00 -0.22 0.00 0.00 54.13 55.40 1j0k s LEU 39 Cb -0.15 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 1j0k s LEU 39 CO 0.01 -0.34 0.25 -0.22 -1.32 0.00 0.00 176.35 174.74 1j0k s LEU 40 N 1.18 4.16 -0.11 -0.68 2.96 0.17 -1.58 118.68 124.79 1j0k s LEU 40 Ca 0.53 0.32 -0.22 0.00 -0.22 0.00 0.00 54.13 54.54 1j0k s LEU 40 Cb -0.23 -2.27 0.05 0.00 0.50 0.00 0.00 46.19 44.24 1j0k s LEU 40 CO 0.27 0.04 0.53 -1.38 -1.32 0.00 0.00 176.35 174.49 1j0k s HIS 41 N 0.94 -0.51 -0.19 5.38 -3.43 -0.76 -0.84 115.29 115.88 1j0k s HIS 41 Ca 0.13 1.04 -0.34 0.00 -0.80 0.00 0.00 55.06 55.09 1j0k s HIS 41 Cb -0.13 0.24 0.14 0.00 -1.43 0.00 0.00 32.58 31.40 1j0k s HIS 41 CO 0.05 -0.42 1.20 0.20 -2.00 0.00 0.00 174.74 173.77 1j0k s GLY 42 N -0.60 -0.27 0.17 -1.38 0.00 -0.75 -0.97 107.32 103.52 1j0k s GLY 42 Ca -0.07 1.71 -0.33 0.00 0.00 0.00 0.00 44.72 46.03 1j0k s GLY 42 CO 0.05 0.60 1.70 1.34 0.00 0.00 0.00 173.10 176.79 1j0k n ASP 43 N -0.00 3.69 -0.47 1.64 2.03 -1.26 -2.12 116.55 120.06 1j0k n ASP 43 Ca -0.00 1.05 0.40 0.00 0.52 0.00 0.00 54.79 56.76 1j0k n ASP 43 Cb 0.58 -1.51 0.73 0.00 -0.72 0.00 0.00 41.12 40.20 1j0k n ASP 43 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1j0k h PRO 44 N 6.85 0.05 -0.29 -0.67 0.11 -1.87 -1.63 132.00 134.56 1j0k h PRO 44 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1j0k h PRO 44 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1j0k h PRO 44 CO 0.93 0.03 0.00 0.66 -0.21 0.00 0.00 178.00 179.42 1j0k n TYR 45 N -4.24 1.04 -2.82 0.65 4.02 -1.26 -4.92 117.16 109.63 1j0k n TYR 45 Ca 0.34 -0.86 -0.43 0.00 -0.01 0.00 0.00 57.90 56.94 1j0k n TYR 45 Cb 1.49 -0.33 -0.04 0.00 -0.02 0.00 0.00 39.34 40.44 1j0k n TYR 45 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1j0k s ASP 46 N -1.84 6.25 0.02 7.72 3.68 -0.62 -5.00 116.67 126.89 1j0k s ASP 46 Ca 0.43 -0.63 0.02 0.00 2.13 0.00 0.00 52.55 54.51 1j0k s ASP 46 Cb 0.35 -2.44 -0.01 0.00 -1.45 0.00 0.00 42.92 39.36 1j0k s ASP 46 CO 0.09 -1.37 -0.08 0.26 0.13 0.00 0.00 175.17 174.21 1j0k s TRP 47 N 4.15 0.68 0.00 -5.34 0.52 -1.26 -0.81 118.94 116.88 1j0k s TRP 47 Ca 0.27 -0.30 0.00 0.00 0.02 0.00 0.00 56.10 56.09 1j0k s TRP 47 Cb -0.14 -0.42 0.00 0.00 -1.15 0.00 0.00 33.47 31.76 1j0k s TRP 47 CO 0.15 -0.03 0.00 1.04 0.02 0.00 0.00 176.95 178.13 1j0k n GLN 48 N 2.18 0.00 -3.58 4.98 1.13 -0.99 -4.96 117.38 116.14 1j0k n GLN 48 Ca -0.18 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.61 1j0k n GLN 48 Cb 0.56 -0.07 -0.10 0.00 0.11 0.00 0.00 30.24 30.74 1j0k n GLN 48 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1j0k n ASN 49 N -1.96 2.98 -1.63 1.08 3.02 -1.26 -4.78 115.26 112.72 1j0k n ASN 49 Ca 0.00 -3.24 -0.15 0.00 -0.03 0.00 0.00 54.58 51.16 1j0k n ASN 49 Cb 0.00 -0.69 -0.05 0.00 -0.61 0.00 0.00 39.78 38.42 1j0k n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j0k n GLY 50 N 1.41 1.01 3.14 7.41 0.00 -1.26 -4.90 105.19 112.00 1j0k n GLY 50 Ca 0.26 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 1j0k n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0k s ALA 51 N -2.35 1.48 0.08 4.61 0.00 -1.25 -4.22 121.76 120.11 1j0k s ALA 51 Ca 0.00 -0.71 -0.24 0.00 0.00 0.00 0.00 51.96 51.02 1j0k s ALA 51 Cb 0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 23.12 22.61 1j0k s ALA 51 CO 0.00 0.30 0.71 -0.46 0.00 0.00 0.00 175.76 176.32 1j0k s TRP 52 N -0.14 3.79 -0.26 0.00 -0.00 -0.80 -2.34 118.94 119.20 1j0k s TRP 52 Ca 0.00 1.45 -0.17 0.00 -0.00 0.00 0.00 56.10 57.38 1j0k s TRP 52 Cb -0.10 -2.72 -0.03 0.00 -0.00 0.00 0.00 33.47 30.62 1j0k s TRP 52 CO 0.01 0.41 0.48 -0.65 -0.00 0.00 0.00 176.95 177.20 1j0k s GLN 53 N -0.56 4.06 0.23 5.86 -1.52 0.01 -4.97 119.66 122.77 1j0k s GLN 53 Ca 0.35 0.26 0.01 0.00 -1.95 0.00 0.00 55.36 54.04 1j0k s GLN 53 Cb -0.21 -3.65 -0.05 0.00 -0.22 0.00 0.00 33.01 28.88 1j0k s GLN 53 CO 0.23 -0.34 0.07 -0.59 -0.25 0.00 0.00 175.29 174.41 1j0k s PHE 54 N 2.26 1.44 0.23 0.91 -0.71 -1.26 -4.38 117.98 116.46 1j0k s PHE 54 Ca 0.20 -1.14 0.08 0.00 -1.04 0.00 0.00 56.93 55.03 1j0k s PHE 54 Cb -0.16 -0.83 -0.05 0.00 -1.21 0.00 0.00 43.02 40.77 1j0k s PHE 54 CO 0.09 -0.31 -0.13 -0.65 -1.34 0.00 0.00 175.22 172.89 1j0k s GLN 55 N -4.00 1.42 -0.11 1.99 -0.21 -0.14 -4.94 119.66 113.67 1j0k s GLN 55 Ca 0.34 -1.65 0.04 0.00 0.02 0.00 0.00 55.36 54.10 1j0k s GLN 55 Cb 0.07 -1.19 0.00 0.00 1.00 0.00 0.00 33.01 32.89 1j0k s GLN 55 CO 0.11 0.17 -0.23 -1.64 -2.12 0.00 0.00 175.29 171.57 1j0k s MET 56 N -3.65 3.05 -0.06 2.91 -1.94 -1.26 -1.82 119.30 116.53 1j0k s MET 56 Ca 0.25 -0.87 0.03 0.00 -1.71 0.00 0.00 55.69 53.39 1j0k s MET 56 Cb -0.00 -2.33 0.01 0.00 2.01 0.00 0.00 34.83 34.51 1j0k s MET 56 CO 0.09 0.14 -0.15 1.41 -0.01 0.00 0.00 175.02 176.50 1j0k s MET 57 N 0.43 1.83 0.33 2.03 0.00 -0.61 -4.96 119.30 118.36 1j0k s MET 57 Ca -0.16 -0.52 -0.27 0.00 0.00 0.00 0.00 55.69 54.73 1j0k s MET 57 Cb -0.17 -1.52 -0.09 0.00 0.00 0.00 0.00 34.83 33.04 1j0k s MET 57 CO 0.07 0.12 1.11 -1.25 0.00 0.00 0.00 175.02 175.06 1j0k s PRO 58 N 0.41 4.43 0.03 4.11 0.04 -1.26 0.14 135.00 142.89 1j0k s PRO 58 Ca -0.11 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 62.67 1j0k s PRO 58 Cb -0.14 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 1j0k s PRO 58 CO 0.04 0.03 0.20 -1.64 0.04 0.00 0.00 177.00 175.67 1j0k s MET 59 N -1.84 3.45 -0.12 4.56 -1.94 0.17 -4.81 119.30 118.76 1j0k s MET 59 Ca 0.50 -0.38 -0.02 0.00 -1.71 0.00 0.00 55.69 54.08 1j0k s MET 59 Cb -0.30 -3.06 -0.03 0.00 2.01 0.00 0.00 34.83 33.46 1j0k s MET 59 CO 0.38 0.63 -0.05 -0.98 -0.01 0.00 0.00 175.02 174.99 1j0k s ARG 60 N -2.27 3.34 -0.37 2.03 1.70 -0.17 -4.43 118.95 118.78 1j0k s ARG 60 Ca 0.32 -0.53 -0.28 0.00 -0.47 0.00 0.00 55.73 54.77 1j0k s ARG 60 Cb -0.13 -2.79 -0.02 0.00 -0.57 0.00 0.00 34.95 31.44 1j0k s ARG 60 CO 0.24 0.39 1.81 0.21 -1.08 0.00 0.00 175.30 176.88 1j0k s LYS 61 N -0.07 3.23 0.00 3.89 2.20 -1.26 -0.45 119.74 127.28 1j0k s LYS 61 Ca 0.01 1.32 0.26 0.00 -0.36 0.00 0.00 55.97 57.21 1j0k s LYS 61 Cb -0.13 -4.22 0.77 0.00 -1.51 0.00 0.00 37.83 32.74 1j0k s LYS 61 CO 0.03 -1.99 1.60 0.25 -0.36 0.00 0.00 175.35 174.88 1j0k n THR 62 N 7.39 0.00 0.00 3.43 -2.24 -0.57 -4.96 114.28 117.34 1j0k n THR 62 Ca 0.23 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1j0k n THR 62 Cb 0.48 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1j0k n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j0k n GLY 63 N 1.47 1.25 2.89 3.38 0.00 -1.23 -4.88 105.19 108.06 1j0k n GLY 63 Ca 0.07 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 1j0k n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j0k s SER 64 N 0.00 -0.01 0.00 1.61 0.01 -1.26 -0.20 113.70 113.85 1j0k s SER 64 Ca 0.00 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.27 1j0k s SER 64 Cb 0.00 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.26 1j0k s SER 64 CO 0.00 -0.01 0.00 -0.90 0.41 0.00 0.00 173.24 172.74 1j0k n ASP 65 N 3.04 1.28 -0.31 2.44 5.68 -0.52 -4.42 116.55 123.74 1j0k n ASP 65 Ca -0.12 -0.15 -0.00 0.00 -0.50 0.00 0.00 54.79 54.01 1j0k n ASP 65 Cb 0.60 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.64 1j0k n ASP 65 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1j0k h GLU 66 N 0.00 -0.04 -0.15 0.11 4.57 -1.92 -3.28 114.58 113.88 1j0k h GLU 66 Ca 0.00 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.99 1j0k h GLU 66 Cb 0.00 0.01 -0.37 0.00 -0.16 0.00 0.00 28.75 28.23 1j0k h GLU 66 CO 0.00 -0.03 -1.02 1.47 -1.18 0.00 0.00 179.01 178.25 1j0k n LEU 67 N -5.50 1.40 -3.80 1.64 -0.00 -1.26 -4.97 117.00 104.52 1j0k n LEU 67 Ca 0.10 -2.51 -0.13 0.00 -0.00 0.00 0.00 56.01 53.47 1j0k n LEU 67 Cb 0.41 0.10 -0.09 0.00 -0.00 0.00 0.00 43.42 43.83 1j0k n LEU 67 CO -0.07 0.77 -0.04 -0.36 -0.00 0.00 0.00 177.39 177.68 1j0k s PHE 68 N -1.44 -0.12 -0.10 1.47 0.08 -1.24 -3.41 117.98 113.21 1j0k s PHE 68 Ca 0.33 0.17 -0.03 0.00 0.12 0.00 0.00 56.93 57.52 1j0k s PHE 68 Cb 0.37 0.05 -0.03 0.00 -0.57 0.00 0.00 43.02 42.84 1j0k s PHE 68 CO -0.12 -0.34 0.02 -0.51 -0.10 0.00 0.00 175.22 174.16 1j0k s ASP 69 N -1.26 5.34 -0.12 1.36 1.01 0.13 -1.44 116.67 121.69 1j0k s ASP 69 Ca -0.13 0.14 -0.00 0.00 0.71 0.00 0.00 52.55 53.27 1j0k s ASP 69 Cb -0.06 -1.60 -0.02 0.00 1.01 0.00 0.00 42.92 42.26 1j0k s ASP 69 CO 0.03 0.34 -0.11 -0.31 0.21 0.00 0.00 175.17 175.34 1j0k s TYR 70 N -0.67 2.85 0.07 4.23 2.02 0.72 -0.61 117.35 125.96 1j0k s TYR 70 Ca 0.11 -0.46 0.05 0.00 -0.37 0.00 0.00 57.07 56.39 1j0k s TYR 70 Cb -0.12 -1.83 -0.04 0.00 -0.40 0.00 0.00 41.96 39.57 1j0k s TYR 70 CO 0.02 -0.09 -0.04 -1.58 -1.57 0.00 0.00 175.55 172.30 1j0k s TRP 71 N 0.13 2.92 -0.01 2.71 0.52 0.10 -1.52 118.94 123.80 1j0k s TRP 71 Ca -0.05 -0.05 0.03 0.00 0.02 0.00 0.00 56.10 56.05 1j0k s TRP 71 Cb -0.15 -1.54 -0.01 0.00 -1.15 0.00 0.00 33.47 30.63 1j0k s TRP 71 CO 0.04 0.44 -0.10 0.12 0.02 0.00 0.00 176.95 177.47 1j0k s PHE 72 N -1.20 0.91 -0.09 -1.98 5.36 0.40 -1.94 117.98 119.44 1j0k s PHE 72 Ca 0.22 -0.18 -0.06 0.00 -0.96 0.00 0.00 56.93 55.95 1j0k s PHE 72 Cb -0.11 -0.59 0.03 0.00 -0.34 0.00 0.00 43.02 42.01 1j0k s PHE 72 CO 0.14 -0.02 0.23 0.00 -1.46 0.00 0.00 175.22 174.11 1j0k s ALA 73 N -0.21 -0.54 -0.20 11.12 0.00 -0.02 -1.00 121.76 130.92 1j0k s ALA 73 Ca 0.03 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.80 1j0k s ALA 73 Cb -0.04 -0.49 0.04 0.00 0.00 0.00 0.00 23.12 22.63 1j0k s ALA 73 CO -0.00 -0.15 -0.13 -1.83 0.00 0.00 0.00 175.76 173.65 1j0k s GLU 74 N 0.67 2.32 -0.02 0.00 -1.05 -1.26 -0.30 118.70 119.06 1j0k s GLU 74 Ca -0.05 -0.87 0.08 0.00 -0.15 0.00 0.00 54.97 53.98 1j0k s GLU 74 Cb -0.06 -2.48 -0.02 0.00 -0.44 0.00 0.00 34.13 31.13 1j0k s GLU 74 CO -0.04 -0.37 -0.25 0.54 0.95 0.00 0.00 175.26 176.08 1j0k s VAL 75 N 1.34 2.01 -0.92 1.83 0.11 -0.94 -4.97 120.40 118.86 1j0k s VAL 75 Ca -0.00 -1.09 -0.08 0.00 -2.93 0.00 0.00 61.98 57.88 1j0k s VAL 75 Cb -0.16 -1.67 0.23 0.00 -1.53 0.00 0.00 36.38 33.26 1j0k s VAL 75 CO -0.09 0.57 0.85 -0.54 -3.33 0.00 0.00 175.10 172.56 1j0k s LYS 76 N -0.60 3.61 0.10 1.54 1.02 -1.26 -2.13 119.74 122.02 1j0k s LYS 76 Ca 0.10 -2.96 -0.36 0.00 0.02 0.00 0.00 55.97 52.77 1j0k s LYS 76 Cb -0.10 -4.27 -0.16 0.00 -0.52 0.00 0.00 37.83 32.78 1j0k s LYS 76 CO -0.01 -1.25 1.33 -0.35 -0.92 0.00 0.00 175.35 174.15 1j0k n PRO 77 N 3.03 1.19 -0.22 -1.68 -0.04 -1.25 -4.87 135.00 131.16 1j0k n PRO 77 Ca 0.19 0.43 -0.00 0.00 -0.04 0.00 0.00 63.50 64.07 1j0k n PRO 77 Cb 0.40 -2.06 0.06 0.00 -0.04 0.00 0.00 33.50 31.87 1j0k n PRO 77 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1j0k h PRO 78 N 4.49 -0.01 -0.22 0.54 0.13 -1.94 -2.65 132.00 132.33 1j0k h PRO 78 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 1j0k h PRO 78 Cb 1.33 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.43 1j0k h PRO 78 CO 0.77 -0.01 -0.06 0.66 -0.23 0.00 0.00 178.00 179.14 1j0k n TYR 79 N -5.45 0.74 -0.93 1.56 4.02 -1.26 -4.96 117.16 110.88 1j0k n TYR 79 Ca 0.08 -1.17 0.00 0.00 -0.01 0.00 0.00 57.90 56.80 1j0k n TYR 79 Cb 0.34 -0.33 0.00 0.00 -0.02 0.00 0.00 39.34 39.33 1j0k n TYR 79 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1j0k n ARG 80 N -0.94 -0.83 -5.22 -0.72 1.74 -1.00 -4.94 116.66 104.75 1j0k n ARG 80 Ca 0.24 0.21 -0.31 0.00 -0.77 0.00 0.00 57.85 57.21 1j0k n ARG 80 Cb 0.87 -3.98 -0.16 0.00 -1.02 0.00 0.00 32.46 28.18 1j0k n ARG 80 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1j0k s ARG 81 N -0.97 2.30 -0.03 5.56 0.52 -1.26 -1.55 118.95 123.51 1j0k s ARG 81 Ca 0.00 -0.88 -0.17 0.00 -0.52 0.00 0.00 55.73 54.16 1j0k s ARG 81 Cb 0.00 -2.13 0.03 0.00 0.52 0.00 0.00 34.95 33.37 1j0k s ARG 81 CO 0.00 0.52 0.37 -1.17 0.02 0.00 0.00 175.30 175.04 1j0k s LEU 82 N -0.51 0.60 -0.03 2.53 2.96 -0.29 -4.25 118.68 119.70 1j0k s LEU 82 Ca 0.07 0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.24 1j0k s LEU 82 Cb -0.11 1.46 0.01 0.00 0.50 0.00 0.00 46.19 48.04 1j0k s LEU 82 CO 0.00 -0.44 -0.07 -0.13 -1.32 0.00 0.00 176.35 174.39 1j0k s ARG 83 N -1.16 0.85 0.23 1.98 1.81 -0.90 -0.95 118.95 120.80 1j0k s ARG 83 Ca -0.12 -0.23 -0.06 0.00 -1.72 0.00 0.00 55.73 53.60 1j0k s ARG 83 Cb -0.04 -0.81 -0.02 0.00 -0.45 0.00 0.00 34.95 33.63 1j0k s ARG 83 CO 0.05 0.05 0.30 1.52 -0.68 0.00 0.00 175.30 176.54 1j0k s TYR 84 N 0.37 0.80 0.34 -0.53 1.13 -0.28 -1.81 117.35 117.37 1j0k s TYR 84 Ca -0.05 -1.08 -0.12 0.00 -1.41 0.00 0.00 57.07 54.41 1j0k s TYR 84 Cb -0.10 -0.20 0.03 0.00 -1.10 0.00 0.00 41.96 40.59 1j0k s TYR 84 CO 0.00 -0.82 0.65 0.20 -2.51 0.00 0.00 175.55 173.07 1j0k s GLY 85 N -3.10 0.69 -0.02 5.49 0.00 -0.02 -0.96 107.32 109.40 1j0k s GLY 85 Ca 0.31 -0.96 0.04 0.00 0.00 0.00 0.00 44.72 44.11 1j0k s GLY 85 CO 0.11 -0.54 -0.14 -1.36 0.00 0.00 0.00 173.10 171.17 1j0k s PHE 86 N -2.92 1.34 -0.29 1.90 0.08 -0.45 0.43 117.98 118.07 1j0k s PHE 86 Ca 0.21 -0.30 -0.06 0.00 0.12 0.00 0.00 56.93 56.89 1j0k s PHE 86 Cb -0.03 -0.89 0.02 0.00 -0.57 0.00 0.00 43.02 41.55 1j0k s PHE 86 CO 0.13 -0.07 0.06 0.08 -0.10 0.00 0.00 175.22 175.32 1j0k s VAL 87 N -0.15 3.77 -0.20 -0.44 1.01 0.25 -0.92 120.40 123.72 1j0k s VAL 87 Ca 0.02 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 1j0k s VAL 87 Cb -0.08 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 1j0k s VAL 87 CO 0.00 0.07 0.12 -0.76 0.00 0.00 0.00 175.10 174.53 1j0k s LEU 88 N 1.46 4.11 -0.07 3.92 1.02 0.79 -1.44 118.68 128.47 1j0k s LEU 88 Ca 0.02 0.19 0.03 0.00 0.02 0.00 0.00 54.13 54.38 1j0k s LEU 88 Cb -0.17 -2.06 -0.02 0.00 0.02 0.00 0.00 46.19 43.95 1j0k s LEU 88 CO 0.01 0.17 -0.15 -0.31 0.02 0.00 0.00 176.35 176.10 1j0k s TYR 89 N 0.40 2.71 -0.52 0.29 1.51 -0.74 0.03 117.35 121.03 1j0k s TYR 89 Ca 0.07 -0.30 0.05 0.00 -1.01 0.00 0.00 57.07 55.88 1j0k s TYR 89 Cb -0.11 -1.68 0.20 0.00 -0.11 0.00 0.00 41.96 40.26 1j0k s TYR 89 CO -0.01 0.07 0.49 0.45 -1.11 0.00 0.00 175.55 175.43 1j0k n SER 90 N 2.63 1.29 -1.44 2.29 2.88 0.80 -1.39 113.62 120.68 1j0k n SER 90 Ca -0.17 -2.84 -0.04 0.00 -1.33 0.00 0.00 58.87 54.49 1j0k n SER 90 Cb 0.52 -0.65 0.02 0.00 -0.75 0.00 0.00 64.21 63.36 1j0k n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1j0k n GLY 91 N 1.99 0.34 3.45 0.46 0.00 -1.26 -3.47 105.19 106.70 1j0k n GLY 91 Ca 0.25 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1j0k n GLY 91 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1j0k n GLU 92 N -1.61 0.00 -2.61 1.61 0.00 -1.26 -4.99 120.64 111.79 1j0k n GLU 92 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.69 1j0k n GLU 92 Cb 0.53 -1.27 -0.02 0.00 0.00 0.00 0.00 31.44 30.67 1j0k n GLU 92 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1j0k s GLU 93 N -0.00 4.37 0.30 5.31 2.56 -1.23 -5.02 118.70 124.99 1j0k s GLU 93 Ca 0.00 1.48 0.08 0.00 0.00 0.00 0.00 54.97 56.53 1j0k s GLU 93 Cb 0.00 -3.58 -0.04 0.00 2.00 0.00 0.00 34.13 32.52 1j0k s GLU 93 CO 0.00 -0.42 0.19 -1.59 -0.56 0.00 0.00 175.26 172.87 1j0k s LYS 94 N 2.34 2.65 -0.02 4.30 -2.85 -1.26 -0.14 119.74 124.76 1j0k s LYS 94 Ca 0.50 -1.29 -0.18 0.00 -1.00 0.00 0.00 55.97 54.00 1j0k s LYS 94 Cb -0.20 -2.39 0.03 0.00 -2.06 0.00 0.00 37.83 33.21 1j0k s LYS 94 CO 0.17 0.23 0.38 -1.17 0.10 0.00 0.00 175.35 175.06 1j0k s LEU 95 N -3.87 0.57 -0.22 2.77 0.20 0.11 -4.91 118.68 113.32 1j0k s LEU 95 Ca 0.36 0.19 0.02 0.00 0.69 0.00 0.00 54.13 55.39 1j0k s LEU 95 Cb -0.06 1.51 0.04 0.00 -0.43 0.00 0.00 46.19 47.26 1j0k s LEU 95 CO 0.24 -0.49 -0.14 -0.69 -0.29 0.00 0.00 176.35 174.99 1j0k s VAL 96 N -1.37 2.01 -0.23 1.68 1.01 0.11 -0.15 120.40 123.46 1j0k s VAL 96 Ca -0.13 -1.28 -0.10 0.00 0.00 0.00 0.00 61.98 60.47 1j0k s VAL 96 Cb -0.04 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 1j0k s VAL 96 CO 0.05 0.19 0.15 -0.47 0.00 0.00 0.00 175.10 175.02 1j0k s TYR 97 N 1.23 3.33 0.18 5.22 5.04 -0.10 -0.74 117.35 131.51 1j0k s TYR 97 Ca -0.03 0.24 0.03 0.00 -2.44 0.00 0.00 57.07 54.87 1j0k s TYR 97 Cb -0.17 -2.25 -0.01 0.00 0.35 0.00 0.00 41.96 39.88 1j0k s TYR 97 CO -0.08 0.10 0.19 0.25 -1.34 0.00 0.00 175.55 174.67 1j0k n THR 98 N 4.15 0.00 0.21 4.34 -2.24 -0.50 -1.34 114.28 118.90 1j0k n THR 98 Ca -0.15 -1.21 0.08 0.00 -2.27 0.00 0.00 64.05 60.50 1j0k n THR 98 Cb 0.52 0.64 0.43 0.00 -2.10 0.00 0.00 70.33 69.82 1j0k n THR 98 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1j0k h GLU 99 N 0.00 0.00 -0.53 -0.78 4.81 -0.94 -2.45 114.58 114.69 1j0k h GLU 99 Ca -0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1j0k h GLU 99 Cb 0.65 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1j0k h GLU 99 CO 0.19 0.29 0.00 1.63 -0.73 0.00 0.00 179.01 180.38 1j0k n LYS 100 N -3.53 2.31 0.00 1.92 5.02 -0.82 -5.03 118.16 118.04 1j0k n LYS 100 Ca -0.00 -1.88 0.00 0.00 -2.02 0.00 0.00 58.31 54.40 1j0k n LYS 100 Cb 0.44 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1j0k n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j0k n GLY 101 N 1.25 -1.03 3.96 0.72 0.00 -0.92 -5.05 105.19 104.12 1j0k n GLY 101 Ca 0.17 -2.13 -0.22 0.00 0.00 0.00 0.00 46.02 43.85 1j0k n GLY 101 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j0k s PHE 102 N 0.00 3.24 0.04 1.61 0.40 -1.25 -1.40 117.98 120.63 1j0k s PHE 102 Ca 0.00 0.15 -0.27 0.00 -0.60 0.00 0.00 56.93 56.20 1j0k s PHE 102 Cb 0.00 -2.17 0.07 0.00 0.51 0.00 0.00 43.02 41.43 1j0k s PHE 102 CO 0.00 -0.20 0.65 0.71 0.70 0.00 0.00 175.22 177.08 1j0k s TYR 103 N -2.43 -0.60 0.11 0.36 1.51 0.08 -4.95 117.35 111.44 1j0k s TYR 103 Ca 0.46 0.77 0.07 0.00 -1.01 0.00 0.00 57.07 57.36 1j0k s TYR 103 Cb -0.10 0.48 -0.21 0.00 -0.11 0.00 0.00 41.96 42.02 1j0k s TYR 103 CO 0.36 -0.72 1.26 0.74 -1.11 0.00 0.00 175.55 176.08 1j0k h PHE 104 N 2.55 0.00 -2.53 2.71 -1.00 -1.91 0.31 116.94 117.08 1j0k h PHE 104 Ca -0.30 0.00 -0.55 0.00 2.81 0.00 0.00 57.97 59.93 1j0k h PHE 104 Cb 1.22 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 40.63 1j0k h PHE 104 CO 0.31 1.00 -0.75 -1.21 -1.61 0.00 0.00 178.31 176.05 1j0k s GLU 105 N -2.71 1.53 -0.50 1.51 0.41 -1.26 -4.76 118.70 112.92 1j0k s GLU 105 Ca 0.01 -1.68 -0.28 0.00 -0.41 0.00 0.00 54.97 52.60 1j0k s GLU 105 Cb 0.10 -1.52 0.03 0.00 -1.78 0.00 0.00 34.13 30.96 1j0k s GLU 105 CO 0.82 0.28 1.12 0.08 -0.49 0.00 0.00 175.26 177.06 1j0k s VAL 106 N -2.62 4.21 0.52 2.63 1.01 -1.26 -4.88 120.40 120.00 1j0k s VAL 106 Ca 0.26 1.07 -0.23 0.00 0.00 0.00 0.00 61.98 63.08 1j0k s VAL 106 Cb -0.04 -4.61 -0.06 0.00 0.00 0.00 0.00 36.38 31.68 1j0k s VAL 106 CO 0.12 -1.06 1.35 -2.65 0.00 0.00 0.00 175.10 172.86 1j0k n PRO 107 N 7.87 1.80 0.00 2.72 -0.02 -1.26 -4.91 135.00 141.20 1j0k n PRO 107 Ca 0.10 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1j0k n PRO 107 Cb 0.49 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1j0k n PRO 107 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1j0k n THR 108 N -0.83 0.00 0.68 3.45 -2.24 -1.26 -4.88 114.28 109.20 1j0k n THR 108 Ca 0.09 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.99 1j0k n THR 108 Cb 0.44 0.76 0.24 0.00 -2.10 0.00 0.00 70.33 69.66 1j0k n THR 108 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1j0k n ASP 109 N 0.00 2.94 -3.60 3.42 5.75 -1.26 -1.91 116.55 121.89 1j0k n ASP 109 Ca 0.00 -1.92 -0.05 0.00 -0.01 0.00 0.00 54.79 52.81 1j0k n ASP 109 Cb 0.45 -0.16 -0.03 0.00 -1.03 0.00 0.00 41.12 40.35 1j0k n ASP 109 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1j0k s ASP 110 N -1.63 -0.15 0.00 -1.12 -1.08 -1.26 -4.95 116.67 106.48 1j0k s ASP 110 Ca 0.35 0.07 0.19 0.00 -0.52 0.00 0.00 52.55 52.64 1j0k s ASP 110 Cb 0.21 0.14 0.21 0.00 -1.46 0.00 0.00 42.92 42.03 1j0k s ASP 110 CO 0.30 -0.21 1.17 0.35 0.52 0.00 0.00 175.17 177.31 1j0k n THR 111 N 0.16 0.15 0.33 1.71 -2.24 -1.26 -4.32 114.28 108.81 1j0k n THR 111 Ca -0.01 -0.58 0.14 0.00 -2.27 0.00 0.00 64.05 61.33 1j0k n THR 111 Cb 0.58 1.27 0.60 0.00 -2.10 0.00 0.00 70.33 70.68 1j0k n THR 111 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j0k h ALA 112 N 3.79 1.00 -0.47 6.98 0.00 -2.00 -2.18 119.26 126.39 1j0k h ALA 112 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1j0k h ALA 112 Cb 0.83 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1j0k h ALA 112 CO 0.00 0.00 -0.05 1.88 0.00 0.00 0.00 179.25 181.08 1j0k h TYR 113 N 0.00 0.87 -3.91 0.00 -1.99 -1.99 -3.42 116.97 106.53 1j0k h TYR 113 Ca 0.00 -0.14 -0.49 0.00 2.00 0.00 0.00 58.73 60.10 1j0k h TYR 113 Cb 0.31 -0.23 0.02 0.00 2.00 0.00 0.00 36.73 38.82 1j0k h TYR 113 CO 0.00 0.83 0.23 0.71 -0.00 0.00 0.00 178.16 179.93 1j0k s TYR 114 N -4.90 3.49 0.61 4.88 1.51 -0.82 -0.33 117.35 121.78 1j0k s TYR 114 Ca -0.10 1.19 -0.16 0.00 -1.01 0.00 0.00 57.07 56.99 1j0k s TYR 114 Cb 0.14 -2.57 -0.02 0.00 -0.11 0.00 0.00 41.96 39.40 1j0k s TYR 114 CO 0.82 -0.26 1.10 -0.06 -1.11 0.00 0.00 175.55 176.04 1j0k s PHE 115 N -2.56 2.71 -0.01 2.71 0.08 -0.13 -4.62 117.98 116.16 1j0k s PHE 115 Ca 0.54 1.54 0.02 0.00 0.12 0.00 0.00 56.93 59.15 1j0k s PHE 115 Cb -0.10 -3.17 -0.00 0.00 -0.57 0.00 0.00 43.02 39.17 1j0k s PHE 115 CO 0.34 -1.54 -0.06 0.00 -0.10 0.00 0.00 175.22 173.87 1j0k s PHE 117 N -0.11 3.44 0.19 0.00 5.36 -0.13 -4.92 117.98 121.81 1j0k s PHE 117 Ca 0.02 -2.99 -0.13 0.00 -0.96 0.00 0.00 56.93 52.87 1j0k s PHE 117 Cb -0.03 -2.81 0.21 0.00 -0.34 0.00 0.00 43.02 40.05 1j0k s PHE 117 CO -0.00 -0.87 1.70 -1.00 -1.46 0.00 0.00 175.22 173.59 1j0k h PRO 118 N 7.24 0.19 -1.65 10.12 0.13 -1.90 -0.74 132.00 145.39 1j0k h PRO 118 Ca -0.06 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.13 1j0k h PRO 118 Cb 0.98 -0.04 -0.26 0.00 0.13 0.00 0.00 31.00 31.81 1j0k h PRO 118 CO 0.57 0.13 0.37 0.12 -0.23 0.00 0.00 178.00 178.96 1j0k s PHE 119 N -6.14 -0.58 -0.63 1.56 5.36 -1.25 -4.27 117.98 112.02 1j0k s PHE 119 Ca -0.13 1.31 -0.28 0.00 -0.96 0.00 0.00 56.93 56.87 1j0k s PHE 119 Cb 0.16 0.38 0.03 0.00 -0.34 0.00 0.00 43.02 43.25 1j0k s PHE 119 CO 0.73 -0.29 1.22 -0.51 -1.46 0.00 0.00 175.22 174.91 1j0k s LEU 120 N 0.71 3.37 -0.26 6.12 1.43 -0.60 -5.00 118.68 124.45 1j0k s LEU 120 Ca -0.02 -0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 52.88 1j0k s LEU 120 Cb -0.05 -2.95 -0.05 0.00 0.03 0.00 0.00 46.19 43.18 1j0k s LEU 120 CO -0.10 -1.60 0.15 -1.00 0.23 0.00 0.00 176.35 174.04 1j0k s HIS 121 N 5.19 3.23 0.25 0.29 3.76 -1.26 -4.97 115.29 121.78 1j0k s HIS 121 Ca 0.40 0.07 -0.04 0.00 -0.15 0.00 0.00 55.06 55.34 1j0k s HIS 121 Cb -0.08 -2.31 0.37 0.00 1.11 0.00 0.00 32.58 31.68 1j0k s HIS 121 CO 0.22 -0.10 1.86 -0.09 -0.85 0.00 0.00 174.74 175.77 1j0k h ARG 122 N 7.99 1.02 0.00 1.40 2.43 -1.95 -1.54 114.38 123.73 1j0k h ARG 122 Ca -0.36 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1j0k h ARG 122 Cb 1.18 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1j0k h ARG 122 CO 0.59 0.67 0.00 -0.39 -1.51 0.00 0.00 179.97 179.34 1j0k h VAL 123 N 1.05 0.00 0.00 0.20 -1.51 -2.02 -2.55 116.25 111.42 1j0k h VAL 123 Ca 0.40 -0.23 -0.10 0.00 -1.23 0.00 0.00 66.70 65.55 1j0k h VAL 123 Cb 0.19 0.96 -0.02 0.00 -2.13 0.00 0.00 31.29 30.29 1j0k h VAL 123 CO -0.18 0.00 -1.61 0.47 -1.23 0.00 0.00 177.57 175.02 1j0k n ASP 124 N -2.37 0.49 -4.57 4.19 8.00 -0.62 -4.95 116.55 116.73 1j0k n ASP 124 Ca 0.01 0.20 -0.58 0.00 0.71 0.00 0.00 54.79 55.13 1j0k n ASP 124 Cb 0.21 0.89 -0.08 0.00 -0.02 0.00 0.00 41.12 42.12 1j0k n ASP 124 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1j0k n LEU 125 N -2.63 0.73 -4.77 0.64 7.94 -0.96 -4.79 117.00 113.16 1j0k n LEU 125 Ca -0.09 1.15 -0.38 0.00 -1.11 0.00 0.00 56.01 55.58 1j0k n LEU 125 Cb 0.73 -1.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.66 1j0k n LEU 125 CO 0.43 -1.45 0.85 0.12 -1.11 0.00 0.00 177.39 176.23 1j0k s PHE 126 N 0.76 2.99 -0.30 1.96 2.19 -1.26 -4.93 117.98 119.38 1j0k s PHE 126 Ca 0.92 1.54 -0.09 0.00 0.33 0.00 0.00 56.93 59.63 1j0k s PHE 126 Cb -1.21 -3.41 0.14 0.00 -1.31 0.00 0.00 43.02 37.23 1j0k s PHE 126 CO 0.58 -1.44 0.67 -2.00 1.83 0.00 0.00 175.22 174.87 1j0k s GLU 127 N -2.42 0.55 -0.06 10.12 2.12 -1.26 -5.01 118.70 122.75 1j0k s GLU 127 Ca 0.59 1.32 0.02 0.00 0.36 0.00 0.00 54.97 57.26 1j0k s GLU 127 Cb -0.31 0.79 -0.03 0.00 0.26 0.00 0.00 34.13 34.84 1j0k s GLU 127 CO 0.38 -0.26 -0.11 0.00 -0.54 0.00 0.00 175.26 174.73 1j0k s ALA 128 N 2.86 2.81 -0.47 6.30 0.00 -1.26 -4.98 121.76 127.02 1j0k s ALA 128 Ca -0.01 -0.93 -0.44 0.00 0.00 0.00 0.00 51.96 50.58 1j0k s ALA 128 Cb -0.12 -1.10 -0.19 0.00 0.00 0.00 0.00 23.12 21.71 1j0k s ALA 128 CO -0.19 0.55 1.61 -0.35 0.00 0.00 0.00 175.76 177.38 1j0k n PRO 129 N 2.33 0.00 -0.18 0.00 -0.04 -1.26 -4.76 135.00 131.09 1j0k n PRO 129 Ca -0.18 0.00 0.20 0.00 -0.04 0.00 0.00 63.50 63.48 1j0k n PRO 129 Cb 0.53 -1.42 0.57 0.00 -0.04 0.00 0.00 33.50 33.13 1j0k n PRO 129 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1j0k h ASP 130 N 5.44 0.29 -0.83 3.54 1.82 -1.96 -2.87 116.42 121.86 1j0k h ASP 130 Ca -0.36 0.02 0.06 0.00 -0.39 0.00 0.00 57.03 56.37 1j0k h ASP 130 Cb 1.30 -0.03 -0.06 0.00 0.68 0.00 0.00 39.33 41.23 1j0k h ASP 130 CO 0.95 0.13 0.51 4.11 -1.61 0.00 0.00 179.24 183.32 1j0k h TRP 131 N 0.29 0.94 -0.53 0.28 5.08 -1.96 -2.37 115.95 117.68 1j0k h TRP 131 Ca 0.41 0.03 0.15 0.00 1.08 0.00 0.00 58.89 60.56 1j0k h TRP 131 Cb 1.15 -0.30 -0.02 0.00 -3.00 0.00 0.00 29.16 26.99 1j0k h TRP 131 CO -0.00 0.49 0.50 -0.39 -1.28 0.00 0.00 178.44 177.75 1j0k h VAL 132 N 0.94 0.42 -0.06 0.12 -1.51 -1.87 0.30 116.25 114.59 1j0k h VAL 132 Ca 0.36 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 65.75 1j0k h VAL 132 Cb 0.15 0.62 -0.01 0.00 -2.13 0.00 0.00 31.29 29.92 1j0k h VAL 132 CO -0.17 0.00 -0.32 0.11 -1.23 0.00 0.00 177.57 175.97 1j0k h LYS 133 N 0.00 0.12 0.00 5.19 1.57 -1.61 -2.96 116.57 118.88 1j0k h LYS 133 Ca 0.25 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1j0k h LYS 133 Cb 1.25 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1j0k h LYS 133 CO -0.00 0.43 -1.06 -0.25 -0.57 0.00 0.00 179.45 178.00 1j0k n ASP 134 N -4.13 0.91 -4.78 0.86 8.00 0.95 -4.64 116.55 113.72 1j0k n ASP 134 Ca -0.02 -0.90 -0.31 0.00 0.71 0.00 0.00 54.79 54.28 1j0k n ASP 134 Cb 0.39 1.05 0.09 0.00 -0.02 0.00 0.00 41.12 42.62 1j0k n ASP 134 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1j0k s THR 135 N -3.04 3.35 -0.15 -3.53 2.01 -0.51 -4.95 115.64 108.83 1j0k s THR 135 Ca 0.07 0.44 -0.04 0.00 0.31 0.00 0.00 61.69 62.47 1j0k s THR 135 Cb 0.16 -3.07 0.06 0.00 0.01 0.00 0.00 72.50 69.67 1j0k s THR 135 CO 0.87 -0.57 0.14 -0.69 -0.69 0.00 0.00 174.62 173.67 1j0k s VAL 136 N -3.01 -0.19 0.61 3.82 1.01 -1.26 -4.33 120.40 117.04 1j0k s VAL 136 Ca 0.61 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.54 1j0k s VAL 136 Cb -0.16 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.74 1j0k s VAL 136 CO 0.55 -0.13 0.91 0.26 0.00 0.00 0.00 175.10 176.69 1j0k s TRP 137 N 2.23 3.15 -0.27 5.22 0.52 0.15 -2.12 118.94 127.81 1j0k s TRP 137 Ca 0.04 0.54 -0.01 0.00 0.02 0.00 0.00 56.10 56.68 1j0k s TRP 137 Cb -0.15 -2.82 0.13 0.00 -1.15 0.00 0.00 33.47 29.48 1j0k s TRP 137 CO -0.09 -0.94 0.30 -0.47 0.02 0.00 0.00 176.95 175.77 1j0k s TYR 138 N -3.01 -0.50 0.06 -1.98 6.14 -0.79 0.03 117.35 117.31 1j0k s TYR 138 Ca 0.55 0.05 -0.30 0.00 0.64 0.00 0.00 57.07 58.01 1j0k s TYR 138 Cb -0.11 -0.37 -0.05 0.00 0.42 0.00 0.00 41.96 41.86 1j0k s TYR 138 CO 0.44 -0.84 1.09 -1.14 0.64 0.00 0.00 175.55 175.74 1j0k s GLN 139 N 2.39 4.52 -0.03 4.97 0.74 -0.29 -2.34 119.66 129.62 1j0k s GLN 139 Ca 0.09 1.61 0.07 0.00 0.05 0.00 0.00 55.36 57.18 1j0k s GLN 139 Cb -0.14 -3.38 -0.02 0.00 1.10 0.00 0.00 33.01 30.57 1j0k s GLN 139 CO -0.27 -0.09 -0.24 0.42 -0.55 0.00 0.00 175.29 174.56 1j0k s ILE 140 N 0.74 2.22 -0.76 -2.34 1.01 0.24 -2.57 121.20 119.75 1j0k s ILE 140 Ca 0.54 -1.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.09 1j0k s ILE 140 Cb -0.26 -1.79 0.20 0.00 0.01 0.00 0.00 42.46 40.61 1j0k s ILE 140 CO 0.30 0.58 0.63 0.12 0.00 0.00 0.00 174.94 176.57 1j0k s PHE 141 N -0.52 3.63 0.18 3.97 5.36 -1.26 -1.73 117.98 127.60 1j0k s PHE 141 Ca 0.07 -2.51 -0.07 0.00 -0.96 0.00 0.00 56.93 53.46 1j0k s PHE 141 Cb -0.11 -3.45 0.28 0.00 -0.34 0.00 0.00 43.02 39.40 1j0k s PHE 141 CO 0.00 -0.88 1.05 -2.30 -1.46 0.00 0.00 175.22 171.63 1j0k n PRO 142 N 3.45 -0.08 0.04 10.12 -0.02 -1.26 -0.23 135.00 147.02 1j0k n PRO 142 Ca 0.13 1.05 0.21 0.00 -2.02 0.00 0.00 63.50 62.86 1j0k n PRO 142 Cb 0.41 -1.56 0.73 0.00 -0.02 0.00 0.00 33.50 33.06 1j0k n PRO 142 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1j0k h GLU 143 N 0.00 0.00 -0.09 -0.52 4.22 -1.83 -2.73 114.58 113.63 1j0k h GLU 143 Ca 0.30 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.74 1j0k h GLU 143 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1j0k h GLU 143 CO -0.69 0.00 0.00 0.54 -2.18 0.00 0.00 179.01 176.68 1j0k n ARG 144 N -3.90 2.62 0.02 1.92 5.12 0.68 -1.80 116.66 121.31 1j0k n ARG 144 Ca 0.09 -1.56 -0.02 0.00 -1.93 0.00 0.00 57.85 54.43 1j0k n ARG 144 Cb 0.66 -1.07 -0.01 0.00 -1.16 0.00 0.00 32.46 30.87 1j0k n ARG 144 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1j0k h PHE 145 N 0.56 -0.13 -1.47 -1.55 3.57 -1.34 0.15 116.94 116.73 1j0k h PHE 145 Ca 0.00 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.61 1j0k h PHE 145 Cb 0.52 0.04 -0.25 0.00 2.79 0.00 0.00 35.95 39.06 1j0k h PHE 145 CO 0.06 -0.08 0.25 0.00 -2.23 0.00 0.00 178.31 176.30 1j0k s ALA 146 N -2.98 -2.34 -1.17 2.41 0.00 -1.26 -4.07 121.76 112.36 1j0k s ALA 146 Ca -0.02 2.20 -0.19 0.00 0.00 0.00 0.00 51.96 53.94 1j0k s ALA 146 Cb 0.00 -1.79 0.08 0.00 0.00 0.00 0.00 23.12 21.41 1j0k s ALA 146 CO 0.06 -0.59 1.56 1.21 0.00 0.00 0.00 175.76 178.01 1j0k s ASN 147 N 1.85 6.73 0.00 0.00 2.47 -1.26 -2.06 114.94 122.67 1j0k s ASN 147 Ca -0.07 -2.13 0.10 0.00 0.42 0.00 0.00 52.86 51.18 1j0k s ASN 147 Cb -0.05 -2.54 0.42 0.00 -1.45 0.00 0.00 41.25 37.62 1j0k s ASN 147 CO -0.17 -1.24 1.29 0.61 -3.72 0.00 0.00 177.10 173.88 1j0k n GLY 148 N 5.79 -0.37 3.12 1.21 0.00 -1.26 -4.58 105.19 109.11 1j0k n GLY 148 Ca 0.40 -0.19 0.03 0.00 0.00 0.00 0.00 46.02 46.26 1j0k n GLY 148 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j0k s ASN 149 N -1.20 -1.26 0.37 1.61 3.84 -1.26 -4.68 114.94 112.36 1j0k s ASN 149 Ca 0.17 -0.27 0.10 0.00 0.21 0.00 0.00 52.86 53.07 1j0k s ASN 149 Cb 0.08 1.68 0.73 0.00 -0.55 0.00 0.00 41.25 43.19 1j0k s ASN 149 CO 0.12 -0.18 1.86 -0.65 -2.79 0.00 0.00 177.10 175.46 1j0k h PRO 150 N 7.14 0.15 -0.48 0.43 0.11 -1.89 -3.22 132.00 134.24 1j0k h PRO 150 Ca -0.00 -0.05 0.14 0.00 0.11 0.00 0.00 66.00 66.20 1j0k h PRO 150 Cb 1.19 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1j0k h PRO 150 CO 0.07 0.40 0.60 0.66 -0.21 0.00 0.00 178.00 179.52 1j0k h SER 151 N 0.14 0.00 -0.23 -2.05 4.64 -1.99 -0.46 113.55 113.60 1j0k h SER 151 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1j0k h SER 151 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1j0k h SER 151 CO 0.04 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.30 1j0k n ILE 152 N -3.50 0.72 -2.29 0.95 -5.35 -1.21 -4.98 119.36 103.70 1j0k n ILE 152 Ca 0.09 -0.86 -0.42 0.00 -0.27 0.00 0.00 62.75 61.29 1j0k n ILE 152 Cb 0.79 0.70 -0.03 0.00 -1.74 0.00 0.00 39.64 39.36 1j0k n ILE 152 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1j0k s SER 153 N -0.96 6.88 0.53 7.28 0.01 -0.18 -4.39 113.70 122.87 1j0k s SER 153 Ca 0.18 1.96 -0.19 0.00 1.31 0.00 0.00 55.95 59.22 1j0k s SER 153 Cb 0.10 -2.55 -0.11 0.00 0.21 0.00 0.00 66.02 63.68 1j0k s SER 153 CO 0.14 -0.74 0.37 -0.81 0.41 0.00 0.00 173.24 172.61 1j0k n PRO 154 N 6.01 0.40 -1.92 12.44 -0.04 -1.26 -4.84 135.00 145.78 1j0k n PRO 154 Ca 0.14 0.15 -0.42 0.00 -0.04 0.00 0.00 63.50 63.33 1j0k n PRO 154 Cb 0.44 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 1j0k n PRO 154 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1j0k s GLU 155 N -1.75 4.20 0.00 0.54 0.41 -1.26 -2.21 118.70 118.64 1j0k s GLU 155 Ca 0.65 2.35 0.00 0.00 -0.41 0.00 0.00 54.97 57.56 1j0k s GLU 155 Cb -0.48 -3.42 0.00 0.00 -1.78 0.00 0.00 34.13 28.45 1j0k s GLU 155 CO 0.58 -0.68 0.00 0.41 -0.49 0.00 0.00 175.26 175.07 1j0k n GLY 156 N 3.90 2.38 3.58 -1.39 0.00 -1.26 -5.06 105.19 107.35 1j0k n GLY 156 Ca 0.15 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.58 1j0k n GLY 156 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j0k n SER 157 N 0.00 0.74 -4.86 1.61 7.64 -0.94 -4.79 113.62 113.02 1j0k n SER 157 Ca 0.00 1.15 -0.31 0.00 1.01 0.00 0.00 58.87 60.72 1j0k n SER 157 Cb 0.00 -0.99 -0.01 0.00 -1.01 0.00 0.00 64.21 62.20 1j0k n SER 157 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1j0k s ARG 158 N 0.93 3.74 0.26 1.43 1.81 -0.37 -4.94 118.95 121.81 1j0k s ARG 158 Ca 0.93 0.74 -0.31 0.00 -1.72 0.00 0.00 55.73 55.37 1j0k s ARG 158 Cb -1.23 -2.16 -0.12 0.00 -0.45 0.00 0.00 34.95 30.98 1j0k s ARG 158 CO 0.60 -0.37 1.54 -2.30 -0.68 0.00 0.00 175.30 174.09 1j0k n PRO 159 N -2.12 2.44 -1.61 3.54 -0.02 -1.26 -4.63 135.00 131.34 1j0k n PRO 159 Ca 0.05 0.87 -0.57 0.00 -2.02 0.00 0.00 63.50 61.83 1j0k n PRO 159 Cb 0.54 -2.61 -0.07 0.00 -0.02 0.00 0.00 33.50 31.34 1j0k n PRO 159 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1j0k n TRP 160 N 2.30 1.42 0.00 6.00 -0.00 -1.26 -0.89 117.44 125.01 1j0k n TRP 160 Ca 0.11 0.79 0.00 0.00 -0.00 0.00 0.00 57.50 58.40 1j0k n TRP 160 Cb 0.34 -2.28 0.00 0.00 -0.00 0.00 0.00 31.31 29.37 1j0k n TRP 160 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1j0k n GLY 161 N 2.77 1.33 0.00 5.87 0.00 -1.26 -4.87 105.19 109.02 1j0k n GLY 161 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1j0k n GLY 161 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j0k n SER 162 N 0.00 0.00 -4.90 1.61 2.88 -0.07 -4.81 113.62 108.32 1j0k n SER 162 Ca 0.00 0.87 -0.26 0.00 -1.33 0.00 0.00 58.87 58.15 1j0k n SER 162 Cb 0.00 -0.37 -0.01 0.00 -0.75 0.00 0.00 64.21 63.08 1j0k n SER 162 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1j0k s GLU 163 N -2.49 2.25 0.21 -1.46 -1.05 -1.26 -5.10 118.70 109.81 1j0k s GLU 163 Ca 0.00 -2.03 -0.30 0.00 -0.15 0.00 0.00 54.97 52.49 1j0k s GLU 163 Cb 0.00 -2.09 -0.08 0.00 -0.44 0.00 0.00 34.13 31.51 1j0k s GLU 163 CO 0.00 -0.63 1.12 -0.51 0.95 0.00 0.00 175.26 176.19 1j0k s ASP 164 N -4.28 7.23 0.21 0.83 1.11 -1.26 -4.92 116.67 115.58 1j0k s ASP 164 Ca 0.34 2.18 -0.32 0.00 0.18 0.00 0.00 52.55 54.92 1j0k s ASP 164 Cb -0.02 -2.61 -0.13 0.00 1.07 0.00 0.00 42.92 41.23 1j0k s ASP 164 CO 0.21 -0.23 1.63 -2.65 1.18 0.00 0.00 175.17 175.31 1j0k n PRO 165 N 2.02 2.49 -4.48 8.23 -0.02 -1.26 -5.01 135.00 136.97 1j0k n PRO 165 Ca 0.02 0.90 -0.26 0.00 -2.02 0.00 0.00 63.50 62.13 1j0k n PRO 165 Cb 0.45 -2.69 -0.10 0.00 -0.02 0.00 0.00 33.50 31.15 1j0k n PRO 165 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1j0k s THR 166 N 0.77 2.30 0.57 3.45 -4.23 -1.26 -4.48 115.64 112.76 1j0k s THR 166 Ca 0.74 -2.07 0.37 0.00 -1.18 0.00 0.00 61.69 59.55 1j0k s THR 166 Cb -0.57 -2.78 0.39 0.00 1.34 0.00 0.00 72.50 70.88 1j0k s THR 166 CO 0.38 -0.15 2.27 -0.65 -0.54 0.00 0.00 174.62 175.94 1j0k h PRO 167 N 1.87 0.00 -0.08 3.99 0.11 -1.96 -3.07 132.00 132.86 1j0k h PRO 167 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1j0k h PRO 167 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1j0k h PRO 167 CO 0.72 0.02 0.00 0.25 -0.21 0.00 0.00 178.00 178.77 1j0k n THR 168 N -3.41 0.69 -2.60 -1.15 -2.24 -1.26 -4.76 114.28 99.55 1j0k n THR 168 Ca -0.03 -0.84 -0.29 0.00 -2.27 0.00 0.00 64.05 60.62 1j0k n THR 168 Cb 0.11 0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 69.01 1j0k n THR 168 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1j0k s SER 169 N -0.78 6.38 0.06 3.42 1.04 -1.16 -4.98 113.70 117.68 1j0k s SER 169 Ca 0.06 1.11 0.03 0.00 0.48 0.00 0.00 55.95 57.63 1j0k s SER 169 Cb 0.04 -2.32 -0.03 0.00 0.10 0.00 0.00 66.02 63.81 1j0k s SER 169 CO 0.05 -0.55 -0.09 -0.36 0.98 0.00 0.00 173.24 173.26 1j0k s PHE 170 N -2.65 0.84 0.00 5.02 0.08 -1.26 -4.81 117.98 115.20 1j0k s PHE 170 Ca 0.51 -0.52 0.00 0.00 0.12 0.00 0.00 56.93 57.03 1j0k s PHE 170 Cb -0.10 -0.49 0.00 0.00 -0.57 0.00 0.00 43.02 41.86 1j0k s PHE 170 CO 0.40 -0.05 0.18 1.19 -0.10 0.00 0.00 175.22 176.84 1j0k n PHE 171 N 1.28 0.00 -0.73 0.36 3.01 -1.26 -1.24 117.46 118.88 1j0k n PHE 171 Ca -0.21 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.25 1j0k n PHE 171 Cb 0.55 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.02 1j0k n PHE 171 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j0k n GLY 172 N 0.18 0.58 3.77 1.37 0.00 -1.26 -4.64 105.19 105.18 1j0k n GLY 172 Ca 0.00 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 1j0k n GLY 172 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j0k s GLY 173 N -2.50 2.84 0.10 -0.02 0.00 -0.75 -4.16 107.32 102.83 1j0k s GLY 173 Ca 0.00 1.08 -0.12 0.00 0.00 0.00 0.00 44.72 45.68 1j0k s GLY 173 CO 0.00 1.58 0.28 0.51 0.00 0.00 0.00 173.10 175.48 1j0k s ASP 174 N -1.13 -0.04 0.49 1.64 1.47 -0.88 -4.35 116.67 113.87 1j0k s ASP 174 Ca 0.63 -0.49 0.31 0.00 1.18 0.00 0.00 52.55 54.18 1j0k s ASP 174 Cb -0.33 0.40 1.41 0.00 -0.34 0.00 0.00 42.92 44.05 1j0k s ASP 174 CO 0.41 -0.78 1.76 -0.07 0.68 0.00 0.00 175.17 177.17 1j0k h LEU 175 N 2.59 0.17 -1.47 2.11 3.38 -1.68 1.09 115.31 121.50 1j0k h LEU 175 Ca -0.34 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1j0k h LEU 175 Cb 1.22 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 1j0k h LEU 175 CO 0.52 0.01 0.24 -0.61 0.09 0.00 0.00 178.44 178.68 1j0k h GLN 176 N 0.14 0.59 -0.66 1.13 5.75 -1.88 -1.35 115.11 118.83 1j0k h GLN 176 Ca 0.62 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 59.04 1j0k h GLN 176 Cb 2.14 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 30.54 1j0k h GLN 176 CO -0.15 0.44 0.28 0.78 -2.65 0.00 0.00 178.83 177.54 1j0k h GLY 177 N 0.67 1.04 0.94 2.39 0.00 0.12 0.84 103.07 109.08 1j0k h GLY 177 Ca 0.16 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1j0k h GLY 177 CO -0.03 0.52 0.15 -2.22 0.00 0.00 0.00 176.54 174.97 1j0k h ILE 178 N 0.92 1.17 -0.06 2.60 2.04 -1.16 -0.42 117.51 122.61 1j0k h ILE 178 Ca 0.22 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1j0k h ILE 178 Cb 0.17 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1j0k h ILE 178 CO -0.02 0.19 -0.00 0.40 0.00 0.00 0.00 178.15 178.71 1j0k h ILE 179 N 0.42 1.04 0.00 -0.67 2.04 -0.98 -1.42 117.51 117.94 1j0k h ILE 179 Ca 0.12 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1j0k h ILE 179 Cb 0.15 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1j0k h ILE 179 CO -0.01 0.05 0.00 0.47 0.00 0.00 0.00 178.15 178.66 1j0k n ASP 180 N -4.48 0.63 -0.09 1.72 8.00 0.26 -3.75 116.55 118.84 1j0k n ASP 180 Ca -0.02 0.58 0.05 0.00 0.71 0.00 0.00 54.79 56.11 1j0k n ASP 180 Cb 0.12 -0.74 0.07 0.00 -0.02 0.00 0.00 41.12 40.54 1j0k n ASP 180 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1j0k n HIS 181 N -2.11 0.00 -0.31 1.24 8.25 -0.59 -4.83 115.22 116.87 1j0k n HIS 181 Ca 0.05 -0.63 0.02 0.00 -0.26 0.00 0.00 57.72 56.90 1j0k n HIS 181 Cb 0.36 -0.09 0.16 0.00 1.12 0.00 0.00 29.99 31.54 1j0k n HIS 181 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1j0k h LEU 182 N 0.00 0.78 -0.09 2.41 3.38 -1.47 -2.18 115.31 118.14 1j0k h LEU 182 Ca 0.00 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1j0k h LEU 182 Cb 0.88 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1j0k h LEU 182 CO 0.00 0.46 -0.11 0.44 0.09 0.00 0.00 178.44 179.32 1j0k h ASP 183 N 0.89 -0.34 -0.82 -0.43 3.32 -1.88 0.22 116.42 117.38 1j0k h ASP 183 Ca 0.40 0.06 0.12 0.00 0.02 0.00 0.00 57.03 57.63 1j0k h ASP 183 Cb 0.29 0.16 -0.13 0.00 0.22 0.00 0.00 39.33 39.87 1j0k h ASP 183 CO -0.22 -0.15 -0.42 0.22 -1.72 0.00 0.00 179.24 176.95 1j0k h TYR 184 N -0.15 -1.22 -0.31 4.55 3.20 -1.77 0.63 116.97 121.90 1j0k h TYR 184 Ca 0.07 0.10 0.02 0.00 3.14 0.00 0.00 58.73 62.06 1j0k h TYR 184 Cb 0.25 0.65 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 1j0k h TYR 184 CO -0.21 -0.40 0.16 -0.07 -1.64 0.00 0.00 178.16 175.99 1j0k h LEU 185 N -0.09 0.24 -2.19 2.82 3.38 -1.19 -0.88 115.31 117.41 1j0k h LEU 185 Ca 0.26 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.26 1j0k h LEU 185 Cb 0.56 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1j0k h LEU 185 CO -0.85 0.18 0.04 0.58 0.09 0.00 0.00 178.44 178.48 1j0k h VAL 186 N 0.33 0.77 0.01 1.22 2.07 0.27 -1.52 116.25 119.39 1j0k h VAL 186 Ca 0.13 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.42 1j0k h VAL 186 Cb 0.04 0.97 0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1j0k h VAL 186 CO -0.08 0.00 -0.88 -0.78 0.02 0.00 0.00 177.57 175.84 1j0k h ASP 187 N 0.00 0.76 -0.96 0.57 3.58 0.11 -3.25 116.42 117.24 1j0k h ASP 187 Ca 0.02 -0.75 0.07 0.00 0.42 0.00 0.00 57.03 56.79 1j0k h ASP 187 Cb 0.11 -0.23 -0.07 0.00 1.72 0.00 0.00 39.33 40.86 1j0k h ASP 187 CO -0.00 1.42 0.61 0.25 -2.88 0.00 0.00 179.24 178.64 1j0k h LEU 188 N 0.19 0.98 0.00 2.28 5.85 -0.20 -3.46 115.31 120.94 1j0k h LEU 188 Ca -0.11 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1j0k h LEU 188 Cb 1.56 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.40 1j0k h LEU 188 CO 0.17 0.62 0.00 0.61 -0.34 0.00 0.00 178.44 179.50 1j0k n GLY 189 N -1.35 0.65 3.61 3.75 0.00 -0.88 -4.30 105.19 106.68 1j0k n GLY 189 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1j0k n GLY 189 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1j0k n ILE 190 N 0.00 2.40 -1.62 -0.61 2.08 -0.99 -4.89 119.36 115.74 1j0k n ILE 190 Ca 0.00 -0.50 0.01 0.00 0.56 0.00 0.00 62.75 62.82 1j0k n ILE 190 Cb 0.00 -1.16 0.01 0.00 -0.75 0.00 0.00 39.64 37.74 1j0k n ILE 190 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1j0k n THR 191 N -0.42 0.21 -3.64 1.39 -2.24 -0.90 -4.62 114.28 104.05 1j0k n THR 191 Ca 0.09 -0.25 -0.03 0.00 -2.27 0.00 0.00 64.05 61.59 1j0k n THR 191 Cb 0.39 0.54 -0.07 0.00 -2.10 0.00 0.00 70.33 69.09 1j0k n THR 191 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1j0k s GLY 192 N -0.96 -0.01 -0.19 3.38 0.00 -1.20 -1.97 107.32 106.37 1j0k s GLY 192 Ca 0.03 3.09 -0.03 0.00 0.00 0.00 0.00 44.72 47.81 1j0k s GLY 192 CO 0.00 2.48 -0.08 -0.42 0.00 0.00 0.00 173.10 175.08 1j0k s ILE 193 N 1.16 3.23 -0.22 0.90 1.01 0.30 -1.88 121.20 125.69 1j0k s ILE 193 Ca -0.07 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 59.95 1j0k s ILE 193 Cb -0.04 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 1j0k s ILE 193 CO -0.14 0.46 0.08 -0.47 0.00 0.00 0.00 174.94 174.87 1j0k s TYR 194 N 1.10 3.15 0.10 3.97 5.04 -0.99 0.45 117.35 130.18 1j0k s TYR 194 Ca 0.01 -0.19 0.06 0.00 -2.44 0.00 0.00 57.07 54.51 1j0k s TYR 194 Cb -0.15 -2.19 -0.04 0.00 0.35 0.00 0.00 41.96 39.94 1j0k s TYR 194 CO -0.01 -0.15 -0.02 -0.51 -1.34 0.00 0.00 175.55 173.52 1j0k s LEU 195 N 1.15 3.35 0.74 6.97 1.43 0.40 0.82 118.68 133.54 1j0k s LEU 195 Ca 0.05 -0.25 -0.08 0.00 -1.03 0.00 0.00 54.13 52.81 1j0k s LEU 195 Cb -0.14 -2.09 0.07 0.00 0.03 0.00 0.00 46.19 44.06 1j0k s LEU 195 CO 0.03 0.17 1.07 0.42 0.23 0.00 0.00 176.35 178.27 1j0k s THR 196 N -1.33 2.19 0.06 5.49 -4.23 -0.71 -2.78 115.64 114.32 1j0k s THR 196 Ca 0.25 -0.20 -0.30 0.00 -1.18 0.00 0.00 61.69 60.26 1j0k s THR 196 Cb -0.11 -2.99 -0.16 0.00 1.34 0.00 0.00 72.50 70.58 1j0k s THR 196 CO 0.17 0.00 0.74 -2.65 -0.54 0.00 0.00 174.62 172.34 1j0k n PRO 197 N -3.05 0.00 0.00 3.99 -0.02 -1.26 -4.59 135.00 130.07 1j0k n PRO 197 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1j0k n PRO 197 Cb 0.61 -1.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.97 1j0k n PRO 197 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1j0k n ILE 198 N 0.83 0.00 -2.22 4.25 -5.35 -1.26 -4.72 119.36 110.88 1j0k n ILE 198 Ca 0.16 -0.21 -0.40 0.00 -0.27 0.00 0.00 62.75 62.03 1j0k n ILE 198 Cb 0.11 0.85 -0.02 0.00 -1.74 0.00 0.00 39.64 38.85 1j0k n ILE 198 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1j0k s PHE 199 N -0.64 3.10 -0.18 4.28 0.08 -1.26 0.04 117.98 123.41 1j0k s PHE 199 Ca 0.00 1.51 -0.32 0.00 0.12 0.00 0.00 56.93 58.23 1j0k s PHE 199 Cb 0.00 -3.52 -0.15 0.00 -0.57 0.00 0.00 43.02 38.78 1j0k s PHE 199 CO 0.00 -1.50 0.99 -2.13 -0.10 0.00 0.00 175.22 172.49 1j0k n ARG 200 N 0.50 0.00 -3.59 0.44 0.63 0.10 -4.46 116.66 110.29 1j0k n ARG 200 Ca 0.02 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.78 1j0k n ARG 200 Cb 0.44 -1.12 -0.07 0.00 0.45 0.00 0.00 32.46 32.16 1j0k n ARG 200 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1j0k s SER 201 N 1.10 -0.55 0.08 6.15 0.15 -1.26 0.25 113.70 119.62 1j0k s SER 201 Ca 0.73 0.62 -0.30 0.00 0.70 0.00 0.00 55.95 57.70 1j0k s SER 201 Cb -1.03 0.55 -0.16 0.00 -1.71 0.00 0.00 66.02 63.67 1j0k s SER 201 CO 0.52 -0.54 1.64 -0.65 1.20 0.00 0.00 173.24 175.41 1j0k h PRO 202 N 3.39 -0.65 -6.77 5.44 0.11 -1.94 -3.46 132.00 128.12 1j0k h PRO 202 Ca -0.28 0.04 -0.34 0.00 0.11 0.00 0.00 66.00 65.54 1j0k h PRO 202 Cb 1.15 0.15 0.20 0.00 0.11 0.00 0.00 31.00 32.61 1j0k h PRO 202 CO 0.37 -0.44 -0.17 -1.13 -0.21 0.00 0.00 178.00 176.42 1j0k n SER 203 N -5.41 -3.86 0.05 -2.05 3.41 -1.26 -4.97 113.62 99.53 1j0k n SER 203 Ca -0.11 -0.75 0.11 0.00 -0.26 0.00 0.00 58.87 57.86 1j0k n SER 203 Cb 0.31 -0.97 -0.02 0.00 -0.26 0.00 0.00 64.21 63.26 1j0k n SER 203 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1j0k n ASN 204 N -4.92 0.57 -0.04 4.04 0.23 -1.26 -4.16 115.26 109.73 1j0k n ASN 204 Ca 0.12 0.02 -0.05 0.00 -0.53 0.00 0.00 54.58 54.14 1j0k n ASN 204 Cb 0.55 0.90 -0.14 0.00 -2.08 0.00 0.00 39.78 39.01 1j0k n ASN 204 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1j0k n HIS 205 N -2.27 0.51 -1.69 -2.53 1.44 -1.26 -4.67 115.22 104.76 1j0k n HIS 205 Ca 0.00 0.18 -0.08 0.00 -2.01 0.00 0.00 57.72 55.81 1j0k n HIS 205 Cb 0.50 -1.02 -0.02 0.00 0.12 0.00 0.00 29.99 29.57 1j0k n HIS 205 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1j0k n LYS 206 N -2.81 -0.60 -0.03 -1.40 4.76 -1.26 -4.41 118.16 112.41 1j0k n LYS 206 Ca -0.20 0.59 0.12 0.00 -2.87 0.00 0.00 58.31 55.95 1j0k n LYS 206 Cb 0.99 -4.48 0.52 0.00 -1.84 0.00 0.00 35.03 30.22 1j0k n LYS 206 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1j0k n TYR 207 N -3.38 0.09 -3.40 2.13 4.01 -1.26 -4.07 117.16 111.28 1j0k n TYR 207 Ca -0.09 -0.04 -0.27 0.00 -0.16 0.00 0.00 57.90 57.34 1j0k n TYR 207 Cb 0.42 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.37 1j0k n TYR 207 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1j0k n ASP 208 N -0.14 3.57 -4.48 7.72 5.75 -1.26 -4.85 116.55 122.85 1j0k n ASP 208 Ca 0.17 -3.41 -0.52 0.00 -0.01 0.00 0.00 54.79 51.02 1j0k n ASP 208 Cb 0.24 -0.67 -0.05 0.00 -1.03 0.00 0.00 41.12 39.62 1j0k n ASP 208 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1j0k n THR 209 N 0.85 1.01 -0.10 2.12 -1.04 -1.26 -3.93 114.28 111.93 1j0k n THR 209 Ca 0.29 -0.25 -0.15 0.00 -2.04 0.00 0.00 64.05 61.90 1j0k n THR 209 Cb 0.42 -0.20 -0.09 0.00 -1.82 0.00 0.00 70.33 68.64 1j0k n THR 209 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j0k n ALA 210 N 0.89 1.59 -3.45 2.41 0.00 0.14 -0.04 120.51 122.04 1j0k n ALA 210 Ca 0.18 -0.83 -0.07 0.00 0.00 0.00 0.00 53.44 52.71 1j0k n ALA 210 Cb 0.19 0.08 -0.08 0.00 0.00 0.00 0.00 19.45 19.64 1j0k n ALA 210 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1j0k s ASP 211 N -6.04 -0.17 0.00 0.00 3.68 -1.06 -4.15 116.67 108.92 1j0k s ASP 211 Ca -0.27 0.62 0.16 0.00 2.13 0.00 0.00 52.55 55.20 1j0k s ASP 211 Cb 0.07 1.36 0.93 0.00 -1.45 0.00 0.00 42.92 43.83 1j0k s ASP 211 CO 0.44 -0.27 1.38 -1.22 0.13 0.00 0.00 175.17 175.63 1j0k n TYR 212 N 5.38 0.00 -0.04 -5.34 4.02 -1.26 -2.54 117.16 117.38 1j0k n TYR 212 Ca -0.05 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.87 1j0k n TYR 212 Cb 0.50 -0.04 0.07 0.00 -0.02 0.00 0.00 39.34 39.85 1j0k n TYR 212 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1j0k n PHE 213 N -1.04 0.21 -4.92 -0.72 3.01 -1.26 -4.95 117.46 107.79 1j0k n PHE 213 Ca 0.11 -0.42 -0.27 0.00 1.01 0.00 0.00 57.45 57.88 1j0k n PHE 213 Cb 0.07 -0.03 -0.16 0.00 -0.01 0.00 0.00 39.48 39.34 1j0k n PHE 213 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1j0k s GLU 214 N -0.92 1.99 -0.09 -1.08 2.02 -1.05 -5.07 118.70 114.49 1j0k s GLU 214 Ca 0.12 -0.66 -0.30 0.00 0.02 0.00 0.00 54.97 54.15 1j0k s GLU 214 Cb 0.06 -1.69 -0.02 0.00 0.10 0.00 0.00 34.13 32.58 1j0k s GLU 214 CO 0.08 0.25 1.15 0.08 0.02 0.00 0.00 175.26 176.84 1j0k s VAL 215 N 0.06 4.41 -0.34 2.63 1.01 -1.26 0.03 120.40 126.95 1j0k s VAL 215 Ca -0.05 1.72 -0.43 0.00 0.00 0.00 0.00 61.98 63.21 1j0k s VAL 215 Cb -0.13 -4.10 -0.18 0.00 0.00 0.00 0.00 36.38 31.97 1j0k s VAL 215 CO 0.03 -0.02 1.58 -0.67 0.00 0.00 0.00 175.10 176.02 1j0k n ASP 216 N 5.34 1.51 -0.38 3.32 2.03 0.11 -4.48 116.55 124.00 1j0k n ASP 216 Ca 0.11 1.14 0.32 0.00 0.52 0.00 0.00 54.79 56.88 1j0k n ASP 216 Cb 0.47 -0.99 0.64 0.00 -0.72 0.00 0.00 41.12 40.51 1j0k n ASP 216 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1j0k h PRO 217 N 5.52 0.17 0.00 -0.67 0.13 -1.90 0.34 132.00 135.60 1j0k h PRO 217 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1j0k h PRO 217 Cb 1.36 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1j0k h PRO 217 CO 0.93 0.11 0.00 0.72 -0.23 0.00 0.00 178.00 179.53 1j0k n HIS 218 N -4.47 0.17 -0.05 1.56 8.25 -1.26 -3.35 115.22 116.06 1j0k n HIS 218 Ca 0.30 0.05 -0.03 0.00 -0.26 0.00 0.00 57.72 57.78 1j0k n HIS 218 Cb 1.21 -0.58 -0.14 0.00 1.12 0.00 0.00 29.99 31.60 1j0k n HIS 218 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1j0k n PHE 219 N -1.64 0.29 -0.14 4.41 3.72 0.12 -4.63 117.46 119.59 1j0k n PHE 219 Ca 0.06 0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 1j0k n PHE 219 Cb 0.34 -0.93 0.00 0.00 -0.94 0.00 0.00 39.48 37.96 1j0k n PHE 219 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1j0k n GLY 220 N 1.55 0.67 3.22 1.37 0.00 -1.04 -1.93 105.19 109.03 1j0k n GLY 220 Ca -0.21 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 1j0k n GLY 220 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1j0k s ASP 221 N -4.00 0.23 0.23 1.61 1.47 -1.26 -4.36 116.67 110.58 1j0k s ASP 221 Ca 0.00 -1.40 -0.14 0.00 1.18 0.00 0.00 52.55 52.19 1j0k s ASP 221 Cb 0.00 0.40 0.27 0.00 -0.34 0.00 0.00 42.92 43.25 1j0k s ASP 221 CO 0.00 -0.86 1.59 0.11 0.68 0.00 0.00 175.17 176.69 1j0k h LYS 222 N 2.58 -0.03 -0.73 2.11 6.56 -1.99 1.25 116.57 126.32 1j0k h LYS 222 Ca -0.35 0.00 0.15 0.00 -1.06 0.00 0.00 60.65 59.39 1j0k h LYS 222 Cb 1.25 0.01 -0.10 0.00 -0.57 0.00 0.00 32.23 32.81 1j0k h LYS 222 CO 0.52 -0.02 0.21 1.49 -2.06 0.00 0.00 179.45 179.58 1j0k h GLU 223 N -0.04 0.31 -0.04 3.15 4.81 -2.00 -0.51 114.58 120.26 1j0k h GLU 223 Ca 0.34 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.42 1j0k h GLU 223 Cb 0.57 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1j0k h GLU 223 CO -0.79 0.20 -0.58 1.15 -0.73 0.00 0.00 179.01 178.27 1j0k h THR 224 N 0.31 1.39 0.57 0.32 2.02 0.91 -2.80 112.91 115.64 1j0k h THR 224 Ca 0.41 -1.94 -0.03 0.00 0.77 0.00 0.00 66.41 65.61 1j0k h THR 224 Cb 0.67 2.00 0.01 0.00 -1.74 0.00 0.00 68.15 69.09 1j0k h THR 224 CO -0.47 0.57 -0.27 0.25 0.37 0.00 0.00 175.52 175.96 1j0k h LEU 225 N 0.10 -0.65 -0.68 2.58 5.85 0.13 -2.61 115.31 120.03 1j0k h LEU 225 Ca -0.00 -0.03 0.13 0.00 0.84 0.00 0.00 57.88 58.82 1j0k h LEU 225 Cb 1.05 0.17 -0.13 0.00 0.37 0.00 0.00 40.66 42.12 1j0k h LEU 225 CO 0.08 -0.26 -0.26 0.50 -0.34 0.00 0.00 178.44 178.16 1j0k h LYS 226 N -1.12 -0.07 -0.55 1.25 3.64 -1.23 0.51 116.57 119.01 1j0k h LYS 226 Ca -0.08 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1j0k h LYS 226 Cb 0.63 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 1j0k h LYS 226 CO 0.13 -0.05 0.36 0.00 -2.27 0.00 0.00 179.45 177.62 1j0k h THR 227 N -0.07 1.08 0.72 1.00 1.03 -1.54 0.26 112.91 115.39 1j0k h THR 227 Ca 0.30 -0.23 -0.04 0.00 -0.01 0.00 0.00 66.41 66.44 1j0k h THR 227 Cb 0.55 0.37 0.01 0.00 -1.07 0.00 0.00 68.15 68.00 1j0k h THR 227 CO -0.73 0.12 -0.35 0.25 -0.01 0.00 0.00 175.52 174.80 1j0k h LEU 228 N 0.66 -0.82 -0.08 0.00 5.85 0.36 0.25 115.31 121.52 1j0k h LEU 228 Ca 0.22 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.97 1j0k h LEU 228 Cb 0.05 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1j0k h LEU 228 CO -0.05 -0.54 -0.08 0.40 -0.34 0.00 0.00 178.44 177.82 1j0k h ILE 229 N -1.04 0.76 -0.72 4.05 2.04 -0.67 0.29 117.51 122.22 1j0k h ILE 229 Ca -0.10 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1j0k h ILE 229 Cb 0.76 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1j0k h ILE 229 CO 0.16 0.00 0.38 0.44 0.00 0.00 0.00 178.15 179.13 1j0k h ASP 230 N -0.11 0.91 -0.68 1.72 3.32 -0.51 0.28 116.42 121.35 1j0k h ASP 230 Ca 0.06 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 1j0k h ASP 230 Cb 0.20 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1j0k h ASP 230 CO -0.15 0.76 0.32 -0.09 -1.72 0.00 0.00 179.24 178.36 1j0k h ARG 231 N 0.99 1.01 -0.34 3.56 9.65 -0.68 -1.68 114.38 126.88 1j0k h ARG 231 Ca 0.25 -0.15 -0.07 0.00 -1.10 0.00 0.00 59.98 58.91 1j0k h ARG 231 Cb 0.07 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.45 1j0k h ARG 231 CO -0.04 0.79 -0.06 0.00 2.80 0.00 0.00 179.97 183.46 1j0k h HIS 233 N 0.44 1.13 0.00 0.00 3.86 -0.10 0.30 115.15 120.78 1j0k h HIS 233 Ca 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1j0k h HIS 233 Cb 0.55 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1j0k h HIS 233 CO 0.05 0.74 0.00 1.05 0.86 0.00 0.00 177.93 180.63 1j0k h GLU 234 N 1.19 0.00 -0.12 2.45 4.11 -1.27 -2.54 114.58 118.40 1j0k h GLU 234 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.74 1j0k h GLU 234 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1j0k h GLU 234 CO -0.06 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.65 1j0k n LYS 235 N -2.72 2.05 -1.61 1.06 5.02 -0.67 -4.94 118.16 116.35 1j0k n LYS 235 Ca 0.03 -1.55 0.00 0.00 -2.02 0.00 0.00 58.31 54.77 1j0k n LYS 235 Cb 0.36 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1j0k n LYS 235 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j0k n GLY 236 N 1.29 0.49 3.39 0.72 0.00 -0.75 -5.02 105.19 105.31 1j0k n GLY 236 Ca 0.17 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 1j0k n GLY 236 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j0k s ILE 237 N -2.00 2.74 0.21 -0.61 1.01 0.98 -4.71 121.20 118.82 1j0k s ILE 237 Ca 0.00 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 59.81 1j0k s ILE 237 Cb 0.00 -2.07 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 1j0k s ILE 237 CO 0.00 0.57 0.41 -0.13 0.00 0.00 0.00 174.94 175.79 1j0k s ARG 238 N -0.34 3.55 -0.14 2.79 1.81 -0.83 -3.32 118.95 122.46 1j0k s ARG 238 Ca 0.03 -0.26 0.02 0.00 -1.72 0.00 0.00 55.73 53.80 1j0k s ARG 238 Cb -0.13 -2.81 0.01 0.00 -0.45 0.00 0.00 34.95 31.57 1j0k s ARG 238 CO 0.02 0.38 -0.22 0.08 -0.68 0.00 0.00 175.30 174.89 1j0k s VAL 239 N -1.87 2.05 -0.10 3.52 1.01 -1.26 0.11 120.40 123.84 1j0k s VAL 239 Ca 0.39 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1j0k s VAL 239 Cb -0.11 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1j0k s VAL 239 CO 0.29 0.55 -0.10 -0.32 0.00 0.00 0.00 175.10 175.52 1j0k s MET 240 N 0.83 3.12 0.12 2.72 1.75 0.17 -0.56 119.30 127.45 1j0k s MET 240 Ca -0.07 -0.61 0.06 0.00 -1.25 0.00 0.00 55.69 53.82 1j0k s MET 240 Cb -0.15 -2.64 -0.04 0.00 2.84 0.00 0.00 34.83 34.84 1j0k s MET 240 CO -0.02 0.41 -0.02 -0.51 -0.65 0.00 0.00 175.02 174.23 1j0k s LEU 241 N -0.15 3.34 -0.12 4.11 1.43 -0.92 -0.45 118.68 125.91 1j0k s LEU 241 Ca 0.01 -0.29 -0.17 0.00 -1.03 0.00 0.00 54.13 52.65 1j0k s LEU 241 Cb -0.13 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 1j0k s LEU 241 CO 0.03 0.14 0.42 -0.62 0.23 0.00 0.00 176.35 176.55 1j0k s ASP 242 N -2.52 6.62 -0.29 2.29 3.68 -1.12 -1.44 116.67 123.89 1j0k s ASP 242 Ca 0.26 0.74 0.02 0.00 2.13 0.00 0.00 52.55 55.69 1j0k s ASP 242 Cb -0.11 -2.25 0.07 0.00 -1.45 0.00 0.00 42.92 39.17 1j0k s ASP 242 CO 0.18 0.05 -0.04 0.00 0.13 0.00 0.00 175.17 175.49 1j0k s ALA 243 N 0.46 2.72 -1.12 3.66 0.00 0.12 -4.51 121.76 123.09 1j0k s ALA 243 Ca 0.23 -1.94 -0.15 0.00 0.00 0.00 0.00 51.96 50.10 1j0k s ALA 243 Cb -0.15 -1.79 0.16 0.00 0.00 0.00 0.00 23.12 21.34 1j0k s ALA 243 CO 0.09 -1.33 1.33 0.08 0.00 0.00 0.00 175.76 175.92 1j0k s VAL 244 N 1.11 4.95 -0.17 0.00 1.01 -1.26 -3.33 120.40 122.71 1j0k s VAL 244 Ca -0.04 -2.32 0.20 0.00 0.00 0.00 0.00 61.98 59.83 1j0k s VAL 244 Cb -0.20 -4.86 -0.09 0.00 0.00 0.00 0.00 36.38 31.23 1j0k s VAL 244 CO -0.04 -1.58 0.88 0.49 0.00 0.00 0.00 175.10 174.85 1j0k n PHE 245 N 5.88 0.86 -0.29 5.22 3.72 -1.26 -4.21 117.46 127.39 1j0k n PHE 245 Ca 0.32 0.27 0.08 0.00 -0.05 0.00 0.00 57.45 58.08 1j0k n PHE 245 Cb 0.45 -0.97 0.31 0.00 -0.94 0.00 0.00 39.48 38.33 1j0k n PHE 245 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1j0k h ASN 246 N 0.00 0.78 -5.22 4.37 -1.24 -1.86 -3.43 115.58 108.98 1j0k h ASN 246 Ca -0.07 0.03 -0.06 0.00 0.71 0.00 0.00 56.30 56.90 1j0k h ASN 246 Cb 1.25 -0.13 -0.10 0.00 0.73 0.00 0.00 38.32 40.06 1j0k h ASN 246 CO 0.02 0.44 -0.15 -1.38 -1.29 0.00 0.00 177.43 175.06 1j0k s HIS 247 N -5.79 0.27 0.37 0.67 -3.43 -1.26 -1.42 115.29 104.70 1j0k s HIS 247 Ca -0.11 -0.62 0.00 0.00 -0.80 0.00 0.00 55.06 53.53 1j0k s HIS 247 Cb 0.21 0.15 0.00 0.00 -1.43 0.00 0.00 32.58 31.52 1j0k s HIS 247 CO 0.79 -0.89 0.04 0.00 -2.00 0.00 0.00 174.74 172.69 1j0k s GLY 249 N -3.07 1.59 0.50 0.00 0.00 0.94 -3.20 107.32 104.08 1j0k s GLY 249 Ca 0.03 -0.77 0.30 0.00 0.00 0.00 0.00 44.72 44.28 1j0k s GLY 249 CO 0.02 -0.69 1.82 -1.82 0.00 0.00 0.00 173.10 172.43 1j0k h TYR 250 N 1.27 0.19 -0.23 1.90 3.20 -0.45 0.25 116.97 123.10 1j0k h TYR 250 Ca -0.49 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.39 1j0k h TYR 250 Cb 1.20 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.42 1j0k h TYR 250 CO 0.54 0.02 0.00 0.39 -1.64 0.00 0.00 178.16 177.47 1j0k n GLU 251 N -4.33 1.83 -2.16 1.82 1.02 -1.26 -4.25 120.64 113.30 1j0k n GLU 251 Ca 0.23 -0.94 -0.42 0.00 -0.02 0.00 0.00 57.16 56.01 1j0k n GLU 251 Cb 1.05 -1.39 -0.03 0.00 -0.02 0.00 0.00 31.44 31.05 1j0k n GLU 251 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1j0k s PHE 252 N -1.64 3.19 0.16 -0.32 5.36 0.88 -4.83 117.98 120.77 1j0k s PHE 252 Ca 0.17 0.91 -0.30 0.00 -0.96 0.00 0.00 56.93 56.75 1j0k s PHE 252 Cb 0.10 -3.70 -0.07 0.00 -0.34 0.00 0.00 43.02 39.02 1j0k s PHE 252 CO 0.09 -2.47 1.52 0.00 -1.46 0.00 0.00 175.22 172.90 1j0k n ALA 253 N 4.10 -0.63 -0.35 11.12 0.00 -1.26 -1.00 120.51 132.49 1j0k n ALA 253 Ca 0.12 0.83 0.03 0.00 0.00 0.00 0.00 53.44 54.42 1j0k n ALA 253 Cb 0.42 -0.13 0.19 0.00 0.00 0.00 0.00 19.45 19.93 1j0k n ALA 253 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1j0k h PRO 254 N 0.00 1.10 -0.48 0.00 0.11 -1.95 -2.65 132.00 128.14 1j0k h PRO 254 Ca 0.16 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 66.12 1j0k h PRO 254 Cb 0.40 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 1j0k h PRO 254 CO -0.92 0.73 -0.02 0.35 -0.21 0.00 0.00 178.00 177.93 1j0k h PHE 255 N 1.14 0.94 -0.24 0.65 3.57 -1.40 -2.46 116.94 119.14 1j0k h PHE 255 Ca 0.42 -0.17 0.06 0.00 3.53 0.00 0.00 57.97 61.81 1j0k h PHE 255 Cb 0.18 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 38.62 1j0k h PHE 255 CO -0.00 0.90 -0.16 1.96 -2.23 0.00 0.00 178.31 178.77 1j0k h GLN 256 N 0.72 -0.15 -0.98 1.11 1.08 -0.83 -0.73 115.11 115.33 1j0k h GLN 256 Ca 0.13 0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.45 1j0k h GLN 256 Cb 0.53 0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 27.92 1j0k h GLN 256 CO 0.03 -0.10 0.63 0.22 -0.95 0.00 0.00 178.83 178.66 1j0k h ASP 257 N -0.15 0.92 -0.01 1.46 3.58 -1.33 0.10 116.42 121.00 1j0k h ASP 257 Ca 0.13 0.03 -0.13 0.00 0.42 0.00 0.00 57.03 57.49 1j0k h ASP 257 Cb 0.36 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1j0k h ASP 257 CO -0.33 0.52 -0.42 0.58 -2.88 0.00 0.00 179.24 176.72 1j0k h VAL 258 N 1.01 1.30 -0.21 2.25 2.07 -0.91 -1.87 116.25 119.89 1j0k h VAL 258 Ca 0.47 -1.59 -0.17 0.00 0.82 0.00 0.00 66.70 66.23 1j0k h VAL 258 Cb 0.41 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1j0k h VAL 258 CO -0.22 0.50 -0.57 -0.25 0.02 0.00 0.00 177.57 177.04 1j0k h TRP 259 N 0.43 0.84 -0.28 1.57 2.91 0.38 1.41 115.95 123.22 1j0k h TRP 259 Ca 0.04 -0.31 0.00 0.00 1.13 0.00 0.00 58.89 59.75 1j0k h TRP 259 Cb 0.91 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 29.40 1j0k h TRP 259 CO 0.03 1.08 0.00 1.63 -1.03 0.00 0.00 178.44 180.15 1j0k n LYS 260 N -3.97 1.92 0.00 2.65 4.01 0.19 -4.23 118.16 118.73 1j0k n LYS 260 Ca -0.04 -1.39 0.00 0.00 -0.51 0.00 0.00 58.31 56.37 1j0k n LYS 260 Cb 0.62 -1.39 0.00 0.00 -0.51 0.00 0.00 35.03 33.76 1j0k n LYS 260 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1j0k n ASN 261 N 0.62 0.77 0.00 4.39 3.02 -0.71 -5.05 115.26 118.30 1j0k n ASN 261 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 1j0k n ASN 261 Cb 0.38 0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1j0k n ASN 261 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j0k n GLY 262 N 0.77 2.91 0.39 7.41 0.00 0.48 -3.00 105.19 114.15 1j0k n GLY 262 Ca 0.00 -0.33 0.32 0.00 0.00 0.00 0.00 46.02 46.01 1j0k n GLY 262 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1j0k n GLU 263 N 14.00 -0.02 -0.00 1.61 4.07 -1.26 0.17 120.64 139.20 1j0k n GLU 263 Ca 0.00 0.94 0.14 0.00 -0.06 0.00 0.00 57.16 58.18 1j0k n GLU 263 Cb 0.00 -1.89 0.49 0.00 -0.06 0.00 0.00 31.44 29.99 1j0k n GLU 263 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1j0k n SER 264 N -4.11 1.60 -4.73 4.31 3.41 -1.16 -4.91 113.62 108.03 1j0k n SER 264 Ca 0.31 -1.54 -0.42 0.00 -0.26 0.00 0.00 58.87 56.97 1j0k n SER 264 Cb 1.24 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 65.17 1j0k n SER 264 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1j0k s SER 265 N -1.99 6.40 0.00 4.04 0.15 0.44 -4.83 113.70 117.91 1j0k s SER 265 Ca 0.37 2.86 0.00 0.00 0.70 0.00 0.00 55.95 59.89 1j0k s SER 265 Cb 0.21 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1j0k s SER 265 CO 0.33 -0.94 0.87 1.17 1.20 0.00 0.00 173.24 175.87 1j0k n LYS 266 N 3.45 0.00 -1.34 5.44 4.81 -1.26 -1.65 118.16 127.60 1j0k n LYS 266 Ca 0.13 0.38 -0.01 0.00 -0.87 0.00 0.00 58.31 57.94 1j0k n LYS 266 Cb 0.36 -1.56 0.11 0.00 0.02 0.00 0.00 35.03 33.96 1j0k n LYS 266 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1j0k n TYR 267 N -1.37 0.69 0.21 5.64 4.01 -1.26 -4.82 117.16 120.25 1j0k n TYR 267 Ca 0.00 -1.47 0.06 0.00 -0.16 0.00 0.00 57.90 56.33 1j0k n TYR 267 Cb 0.06 -0.24 0.44 0.00 -0.31 0.00 0.00 39.34 39.28 1j0k n TYR 267 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1j0k h LYS 268 N 1.41 0.00 -0.14 -0.72 5.09 -1.62 -2.72 116.57 117.87 1j0k h LYS 268 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1j0k h LYS 268 Cb 1.35 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.68 1j0k h LYS 268 CO 0.20 0.31 0.00 -3.47 -2.09 0.00 0.00 179.45 174.40 1j0k n ASP 269 N -3.78 2.02 0.08 7.07 2.03 -1.26 -3.80 116.55 118.92 1j0k n ASP 269 Ca -0.01 -1.72 0.13 0.00 0.52 0.00 0.00 54.79 53.71 1j0k n ASP 269 Cb 0.40 -0.08 0.42 0.00 -0.72 0.00 0.00 41.12 41.14 1j0k n ASP 269 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1j0k n TRP 270 N 0.56 0.70 -4.51 -0.67 7.02 -1.02 -4.75 117.44 114.77 1j0k n TRP 270 Ca 0.17 0.20 -0.24 0.00 -1.02 0.00 0.00 57.50 56.61 1j0k n TRP 270 Cb 0.41 -0.82 -0.09 0.00 -2.42 0.00 0.00 31.31 28.38 1j0k n TRP 270 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1j0k s PHE 271 N -3.08 1.89 -1.11 -5.99 0.08 -1.25 -1.63 117.98 106.89 1j0k s PHE 271 Ca 0.11 -1.09 -0.07 0.00 0.12 0.00 0.00 56.93 56.01 1j0k s PHE 271 Cb 0.14 -1.27 0.29 0.00 -0.57 0.00 0.00 43.02 41.61 1j0k s PHE 271 CO 0.60 -0.09 1.32 0.72 -0.10 0.00 0.00 175.22 177.67 1j0k n HIS 272 N -0.83 3.79 -3.84 0.36 8.25 -1.25 -4.80 115.22 116.90 1j0k n HIS 272 Ca -0.05 -3.24 -0.35 0.00 -0.26 0.00 0.00 57.72 53.81 1j0k n HIS 272 Cb 0.66 -1.52 -0.10 0.00 1.12 0.00 0.00 29.99 30.15 1j0k n HIS 272 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1j0k s ILE 273 N -1.87 4.94 -0.20 1.59 1.01 -1.26 -0.72 121.20 124.68 1j0k s ILE 273 Ca 0.32 0.03 -0.15 0.00 0.00 0.00 0.00 60.65 60.84 1j0k s ILE 273 Cb -0.02 -3.27 -0.19 0.00 0.01 0.00 0.00 42.46 38.99 1j0k s ILE 273 CO 0.01 0.40 0.12 1.41 0.00 0.00 0.00 174.94 176.88 1j0k n HIS 274 N 4.00 0.83 -4.32 3.97 8.25 -0.80 -4.98 115.22 122.17 1j0k n HIS 274 Ca -0.16 0.30 -0.25 0.00 -0.26 0.00 0.00 57.72 57.35 1j0k n HIS 274 Cb 0.52 -1.09 -0.12 0.00 1.12 0.00 0.00 29.99 30.41 1j0k n HIS 274 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1j0k s GLU 275 N -2.44 1.22 -0.00 -0.41 2.02 -1.23 -5.11 118.70 112.73 1j0k s GLU 275 Ca -0.30 -1.24 0.08 0.00 0.02 0.00 0.00 54.97 53.53 1j0k s GLU 275 Cb 0.08 -1.53 -0.02 0.00 0.10 0.00 0.00 34.13 32.76 1j0k s GLU 275 CO 0.61 0.35 -0.24 -0.06 0.02 0.00 0.00 175.26 175.95 1j0k s PHE 276 N -1.22 2.40 0.74 1.61 0.08 -1.26 -4.02 117.98 116.31 1j0k s PHE 276 Ca 0.09 -0.38 -0.07 0.00 0.12 0.00 0.00 56.93 56.70 1j0k s PHE 276 Cb -0.10 -1.49 0.08 0.00 -0.57 0.00 0.00 43.02 40.95 1j0k s PHE 276 CO 0.05 0.06 1.05 -2.14 -0.10 0.00 0.00 175.22 174.14 1j0k s PRO 277 N -0.88 1.98 0.65 0.24 0.02 -1.26 -5.00 135.00 130.75 1j0k s PRO 277 Ca 0.11 -0.34 -0.17 0.00 0.02 0.00 0.00 61.00 60.62 1j0k s PRO 277 Cb -0.10 -2.14 -0.04 0.00 0.02 0.00 0.00 34.50 32.23 1j0k s PRO 277 CO 0.01 -1.39 0.75 1.28 -0.33 0.00 0.00 177.00 177.32 1j0k n LEU 278 N -3.01 2.29 0.00 -5.54 4.32 -1.26 -5.03 117.00 108.77 1j0k n LEU 278 Ca 0.09 0.71 -0.14 0.00 -0.02 0.00 0.00 56.01 56.65 1j0k n LEU 278 Cb 0.60 -1.30 -0.06 0.00 -1.62 0.00 0.00 43.42 41.05 1j0k n LEU 278 CO 0.51 -2.49 -0.06 0.00 -1.22 0.00 0.00 177.39 174.12 1j0k n GLN 279 N -0.90 0.31 0.00 3.23 1.13 -1.26 -5.04 117.38 114.86 1j0k n GLN 279 Ca 0.12 -2.42 0.00 0.00 -1.94 0.00 0.00 57.00 52.76 1j0k n GLN 279 Cb 0.49 2.00 0.00 0.00 0.11 0.00 0.00 30.24 32.84 1j0k n GLN 279 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1j0k n THR 280 N -0.46 0.00 -4.68 5.09 -2.24 -1.26 -3.81 114.28 106.92 1j0k n THR 280 Ca 0.05 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.50 1j0k n THR 280 Cb 0.44 0.25 -0.14 0.00 -2.10 0.00 0.00 70.33 68.78 1j0k n THR 280 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1j0k s GLU 281 N 0.00 3.38 0.02 -0.78 0.41 -1.26 -2.99 118.70 117.48 1j0k s GLU 281 Ca 0.00 -0.68 -0.29 0.00 -0.41 0.00 0.00 54.97 53.59 1j0k s GLU 281 Cb 0.00 -2.67 -0.16 0.00 -1.78 0.00 0.00 34.13 29.52 1j0k s GLU 281 CO 0.00 0.17 1.22 -1.00 -0.49 0.00 0.00 175.26 175.16 1j0k h PRO 282 N 6.85 -0.99 -6.32 0.39 0.13 -2.07 -3.48 132.00 126.51 1j0k h PRO 282 Ca -0.27 0.07 -0.49 0.00 -0.87 0.00 0.00 66.00 64.43 1j0k h PRO 282 Cb 1.21 0.22 -0.01 0.00 0.13 0.00 0.00 31.00 32.56 1j0k h PRO 282 CO 0.56 -0.65 -0.26 1.03 -0.23 0.00 0.00 178.00 178.45 1j0k s ARG 283 N -4.98 2.50 0.63 0.86 0.52 -1.16 -5.10 118.95 112.22 1j0k s ARG 283 Ca -0.15 -1.57 -0.16 0.00 -0.52 0.00 0.00 55.73 53.33 1j0k s ARG 283 Cb 0.02 -2.49 -0.02 0.00 0.52 0.00 0.00 34.95 32.98 1j0k s ARG 283 CO 0.47 -0.46 1.10 -2.14 0.02 0.00 0.00 175.30 174.29 1j0k s PRO 284 N -4.35 2.99 -0.31 3.54 0.02 -1.24 -4.01 135.00 131.64 1j0k s PRO 284 Ca 0.51 1.36 0.10 0.00 0.02 0.00 0.00 61.00 62.99 1j0k s PRO 284 Cb -0.05 -1.98 0.62 0.00 0.02 0.00 0.00 34.50 33.11 1j0k s PRO 284 CO 0.31 -1.09 1.66 0.27 -0.33 0.00 0.00 177.00 177.81 1j0k n ASN 285 N -2.21 3.76 -3.71 2.53 6.94 -1.25 -4.86 115.26 116.46 1j0k n ASN 285 Ca 0.10 -3.43 -0.12 0.00 -0.02 0.00 0.00 54.58 51.11 1j0k n ASN 285 Cb 0.52 -0.70 -0.10 0.00 -2.36 0.00 0.00 39.78 37.14 1j0k n ASN 285 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1j0k s TYR 286 N -3.10 -0.53 0.26 -2.53 1.13 -1.26 -1.91 117.35 109.41 1j0k s TYR 286 Ca 0.50 1.22 -0.30 0.00 -1.41 0.00 0.00 57.07 57.08 1j0k s TYR 286 Cb 0.42 0.21 -0.14 0.00 -1.10 0.00 0.00 41.96 41.35 1j0k s TYR 286 CO 0.08 -0.27 1.19 -0.25 -2.51 0.00 0.00 175.55 173.79 1j0k n ASP 287 N 3.37 1.94 -4.10 -0.18 8.00 0.10 -4.86 116.55 120.82 1j0k n ASP 287 Ca -0.17 1.17 -0.15 0.00 0.71 0.00 0.00 54.79 56.35 1j0k n ASP 287 Cb 0.56 -1.34 -0.10 0.00 -0.02 0.00 0.00 41.12 40.22 1j0k n ASP 287 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1j0k s THR 288 N -0.62 0.20 -0.01 -3.53 -4.23 -1.26 -0.76 115.64 105.43 1j0k s THR 288 Ca 0.64 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.85 1j0k s THR 288 Cb -0.70 -2.53 -0.07 0.00 1.34 0.00 0.00 72.50 70.54 1j0k s THR 288 CO 0.56 0.00 1.75 0.12 -0.54 0.00 0.00 174.62 176.51 1j0k s PHE 289 N -3.88 1.80 0.00 3.99 5.36 0.17 -4.54 117.98 120.88 1j0k s PHE 289 Ca 0.38 -0.00 0.00 0.00 -0.96 0.00 0.00 56.93 56.35 1j0k s PHE 289 Cb 0.06 -4.03 0.00 0.00 -0.34 0.00 0.00 43.02 38.72 1j0k s PHE 289 CO 0.15 -4.40 0.00 0.00 -1.46 0.00 0.00 175.22 169.51 1j0k n ALA 290 N 7.10 0.00 -2.48 11.12 0.00 -1.26 -1.39 120.51 133.59 1j0k n ALA 290 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.46 1j0k n ALA 290 Cb 0.42 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.89 1j0k n ALA 290 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1j0k n PHE 291 N 14.00 2.21 -3.53 0.00 0.99 -1.26 -5.03 117.46 124.84 1j0k n PHE 291 Ca 0.00 -2.58 -0.41 0.00 -0.00 0.00 0.00 57.45 54.46 1j0k n PHE 291 Cb 0.00 -0.25 -0.11 0.00 -1.00 0.00 0.00 39.48 38.12 1j0k n PHE 291 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1j0k s VAL 292 N -4.32 5.10 0.34 -4.37 1.01 -0.49 -4.93 120.40 112.73 1j0k s VAL 292 Ca 0.39 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1j0k s VAL 292 Cb 0.40 -3.71 0.28 0.00 0.00 0.00 0.00 36.38 33.35 1j0k s VAL 292 CO -0.04 -0.12 1.95 -0.65 0.00 0.00 0.00 175.10 176.25 1j0k h PRO 293 N 8.51 0.85 0.00 2.72 0.11 -1.96 -2.14 132.00 140.09 1j0k h PRO 293 Ca -0.29 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1j0k h PRO 293 Cb 1.14 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1j0k h PRO 293 CO 0.66 0.56 0.00 1.04 -0.21 0.00 0.00 178.00 180.06 1j0k n GLN 294 N -4.47 0.39 -3.55 1.05 3.00 -1.26 -4.16 117.38 108.38 1j0k n GLN 294 Ca 0.11 0.06 -0.27 0.00 -0.01 0.00 0.00 57.00 56.88 1j0k n GLN 294 Cb 0.17 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 28.82 1j0k n GLN 294 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1j0k n MET 295 N -1.24 2.05 -2.38 -1.09 2.81 -0.80 0.28 117.12 116.74 1j0k n MET 295 Ca 0.12 -4.43 -0.42 0.00 -1.81 0.00 0.00 57.70 51.16 1j0k n MET 295 Cb 0.17 -2.15 -0.03 0.00 -0.71 0.00 0.00 33.22 30.50 1j0k n MET 295 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1j0k s PRO 296 N -1.93 4.33 0.27 0.03 0.04 -1.20 -0.66 135.00 135.88 1j0k s PRO 296 Ca 0.34 1.77 -0.30 0.00 0.04 0.00 0.00 61.00 62.85 1j0k s PRO 296 Cb 0.09 -3.56 -0.13 0.00 0.04 0.00 0.00 34.50 30.94 1j0k s PRO 296 CO -0.08 -0.49 1.45 1.17 0.04 0.00 0.00 177.00 179.10 1j0k n LYS 297 N 5.23 2.27 -3.27 4.56 4.81 0.06 -2.73 118.16 129.09 1j0k n LYS 297 Ca 0.12 0.80 -0.34 0.00 -0.87 0.00 0.00 58.31 58.02 1j0k n LYS 297 Cb 0.45 -2.49 -0.06 0.00 0.02 0.00 0.00 35.03 32.95 1j0k n LYS 297 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1j0k s LEU 298 N -0.25 4.26 -0.93 3.14 1.43 -0.50 -3.79 118.68 122.03 1j0k s LEU 298 Ca 0.65 1.17 -0.13 0.00 -1.03 0.00 0.00 54.13 54.79 1j0k s LEU 298 Cb -0.59 -3.57 0.22 0.00 0.03 0.00 0.00 46.19 42.28 1j0k s LEU 298 CO 0.51 -0.00 0.93 0.21 0.23 0.00 0.00 176.35 178.23 1j0k s ASN 299 N -1.92 6.92 0.00 2.29 2.47 -0.64 -4.84 114.94 119.21 1j0k s ASN 299 Ca 0.44 -2.89 0.02 0.00 0.42 0.00 0.00 52.86 50.85 1j0k s ASN 299 Cb -0.14 -2.24 0.14 0.00 -1.45 0.00 0.00 41.25 37.57 1j0k s ASN 299 CO 0.20 -0.55 0.53 0.35 -3.72 0.00 0.00 177.10 173.90 1j0k n THR 300 N 3.81 0.00 0.07 -5.21 -2.24 -1.26 -1.17 114.28 108.27 1j0k n THR 300 Ca 0.19 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.01 1j0k n THR 300 Cb 0.45 -0.82 -0.04 0.00 -2.10 0.00 0.00 70.33 67.81 1j0k n THR 300 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j0k h ALA 301 N 1.95 0.60 -2.59 6.98 0.00 -1.96 -3.42 119.26 120.82 1j0k h ALA 301 Ca 0.00 -0.50 -0.53 0.00 0.00 0.00 0.00 54.91 53.88 1j0k h ALA 301 Cb 0.00 0.16 0.02 0.00 0.00 0.00 0.00 17.79 17.97 1j0k h ALA 301 CO 0.00 0.55 0.64 1.21 0.00 0.00 0.00 179.25 181.64 1j0k s ASN 302 N -5.65 6.95 0.56 0.00 3.84 -0.32 -4.89 114.94 115.43 1j0k s ASN 302 Ca -0.02 2.27 0.23 0.00 0.21 0.00 0.00 52.86 55.55 1j0k s ASN 302 Cb 0.09 -2.60 1.54 0.00 -0.55 0.00 0.00 41.25 39.73 1j0k s ASN 302 CO 0.80 -0.53 2.17 1.55 -2.79 0.00 0.00 177.10 178.31 1j0k h PRO 303 N 6.09 0.00 0.14 0.43 0.13 -1.89 -1.92 132.00 134.99 1j0k h PRO 303 Ca -0.43 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1j0k h PRO 303 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1j0k h PRO 303 CO 0.80 0.00 -0.07 0.93 -0.23 0.00 0.00 178.00 179.44 1j0k h GLU 304 N 0.00 -0.18 -1.19 0.86 5.08 -1.94 -1.01 114.58 116.21 1j0k h GLU 304 Ca 0.03 0.01 0.41 0.00 -1.00 0.00 0.00 59.36 58.81 1j0k h GLU 304 Cb 0.14 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 29.28 1j0k h GLU 304 CO -0.00 -0.12 0.72 0.28 -1.00 0.00 0.00 179.01 178.89 1j0k h VAL 305 N -0.55 0.12 -0.09 3.13 2.07 -1.83 0.82 116.25 119.91 1j0k h VAL 305 Ca -0.02 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 1j0k h VAL 305 Cb 0.14 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1j0k h VAL 305 CO 0.03 0.02 -0.05 0.50 0.02 0.00 0.00 177.57 178.09 1j0k h LYS 306 N 0.10 0.20 0.06 1.57 3.64 -1.38 -1.11 116.57 119.65 1j0k h LYS 306 Ca 0.82 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 60.12 1j0k h LYS 306 Cb 2.34 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 34.14 1j0k h LYS 306 CO -0.54 0.57 -0.14 -0.09 -2.27 0.00 0.00 179.45 176.98 1j0k h ARG 307 N -0.18 -0.25 -0.14 1.90 9.65 0.20 -0.86 114.38 124.70 1j0k h ARG 307 Ca 0.02 0.02 0.05 0.00 -1.10 0.00 0.00 59.98 58.96 1j0k h ARG 307 Cb 0.52 0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 29.09 1j0k h ARG 307 CO 0.02 -0.17 -0.37 -0.92 2.80 0.00 0.00 179.97 181.33 1j0k h TYR 308 N -0.26 -1.05 -0.97 2.20 5.03 -0.85 0.13 116.97 121.20 1j0k h TYR 308 Ca 0.03 0.04 0.04 0.00 2.58 0.00 0.00 58.73 61.42 1j0k h TYR 308 Cb 0.29 0.48 -0.06 0.00 1.55 0.00 0.00 36.73 38.99 1j0k h TYR 308 CO -0.17 -0.44 0.64 -0.07 -1.32 0.00 0.00 178.16 176.80 1j0k h LEU 309 N -0.44 1.06 -1.33 2.82 3.38 -1.03 0.46 115.31 120.23 1j0k h LEU 309 Ca 0.09 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1j0k h LEU 309 Cb 0.59 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1j0k h LEU 309 CO -0.38 0.73 -0.29 -0.07 0.09 0.00 0.00 178.44 178.52 1j0k h LEU 310 N 1.23 0.08 0.17 1.67 3.38 -0.48 -0.71 115.31 120.65 1j0k h LEU 310 Ca 0.39 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 1j0k h LEU 310 Cb 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1j0k h LEU 310 CO -0.12 0.37 -0.08 0.44 0.09 0.00 0.00 178.44 179.14 1j0k h ASP 311 N 0.07 -0.20 -0.66 -0.43 3.32 0.13 -2.13 116.42 116.52 1j0k h ASP 311 Ca 0.01 -0.26 0.13 0.00 0.02 0.00 0.00 57.03 56.93 1j0k h ASP 311 Cb 0.55 0.05 -0.10 0.00 0.22 0.00 0.00 39.33 40.05 1j0k h ASP 311 CO 0.04 0.17 0.13 0.58 -1.72 0.00 0.00 179.24 178.44 1j0k h VAL 312 N -0.60 0.57 0.30 -1.35 2.07 -0.76 0.67 116.25 117.15 1j0k h VAL 312 Ca -0.02 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1j0k h VAL 312 Cb 0.45 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1j0k h VAL 312 CO 0.04 0.04 -0.24 0.00 0.02 0.00 0.00 177.57 177.43 1j0k h ALA 313 N 1.54 -0.54 -0.06 1.67 0.00 -1.03 -2.83 119.26 118.02 1j0k h ALA 313 Ca 0.35 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1j0k h ALA 313 Cb 0.57 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1j0k h ALA 313 CO -0.46 -0.83 -0.58 1.79 0.00 0.00 0.00 179.25 179.17 1j0k h THR 314 N -0.55 1.39 0.00 0.00 1.35 -0.89 -3.29 112.91 110.92 1j0k h THR 314 Ca -0.02 -1.94 0.00 0.00 -0.55 0.00 0.00 66.41 63.90 1j0k h THR 314 Cb 0.49 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1j0k h THR 314 CO -0.02 0.57 0.00 0.00 -0.25 0.00 0.00 175.52 175.82 1j0k n TYR 315 N -3.88 0.00 -0.32 4.73 9.36 0.23 -0.14 117.16 127.13 1j0k n TYR 315 Ca -0.02 0.00 0.19 0.00 3.32 0.00 0.00 57.90 61.39 1j0k n TYR 315 Cb 0.60 -0.48 0.44 0.00 -0.63 0.00 0.00 39.34 39.27 1j0k n TYR 315 CO 0.00 0.00 0.00 -1.49 0.22 0.00 0.00 176.86 175.59 1j0k h TRP 316 N 0.00 0.81 0.04 2.98 4.06 -1.63 1.04 115.95 123.25 1j0k h TRP 316 Ca 0.00 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.98 1j0k h TRP 316 Cb 0.00 -0.24 0.00 0.00 -1.00 0.00 0.00 29.16 27.92 1j0k h TRP 316 CO -0.38 0.11 -0.02 0.82 -3.56 0.00 0.00 178.44 175.41 1j0k h ILE 317 N 0.52 1.23 -0.27 1.49 2.04 -1.55 0.19 117.51 121.16 1j0k h ILE 317 Ca 0.59 -0.90 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 1j0k h ILE 317 Cb 1.27 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 39.16 1j0k h ILE 317 CO -0.34 0.23 -0.10 -0.09 0.00 0.00 0.00 178.15 177.85 1j0k h ARG 318 N -0.45 0.45 0.00 2.37 2.43 0.15 -0.19 114.38 119.14 1j0k h ARG 318 Ca -0.01 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1j0k h ARG 318 Cb 0.41 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1j0k h ARG 318 CO 0.01 0.56 -1.37 0.39 -1.51 0.00 0.00 179.97 178.04 1j0k n GLU 319 N -4.23 0.26 0.00 0.20 -0.58 0.34 -4.65 120.64 111.98 1j0k n GLU 319 Ca 0.01 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1j0k n GLU 319 Cb 0.30 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 1j0k n GLU 319 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1j0k n PHE 320 N -1.80 0.00 -2.27 -0.32 3.72 0.62 -5.02 117.46 112.39 1j0k n PHE 320 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1j0k n PHE 320 Cb 0.42 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 1j0k n PHE 320 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1j0k n ASP 321 N -1.08 -1.87 -4.78 4.37 4.64 -0.09 -4.89 116.55 112.85 1j0k n ASP 321 Ca 0.00 0.00 -0.34 0.00 -1.38 0.00 0.00 54.79 53.07 1j0k n ASP 321 Cb 0.14 -0.47 0.01 0.00 -1.04 0.00 0.00 41.12 39.77 1j0k n ASP 321 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 1j0k s ILE 322 N -2.93 3.40 -2.56 5.18 -4.36 -1.26 -4.91 121.20 113.76 1j0k s ILE 322 Ca 0.00 0.78 0.24 0.00 -0.26 0.00 0.00 60.65 61.41 1j0k s ILE 322 Cb 0.00 -3.28 0.40 0.00 1.25 0.00 0.00 42.46 40.83 1j0k s ILE 322 CO 0.00 -0.28 1.48 0.47 0.24 0.00 0.00 174.94 176.85 1j0k n ASP 323 N -1.64 2.43 -3.61 4.36 9.92 0.27 -4.84 116.55 123.44 1j0k n ASP 323 Ca 0.10 -1.81 -0.02 0.00 -0.53 0.00 0.00 54.79 52.53 1j0k n ASP 323 Cb 0.52 -0.09 -0.02 0.00 -0.64 0.00 0.00 41.12 40.89 1j0k n ASP 323 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1j0k s GLY 324 N -1.75 -0.30 -0.06 0.44 0.00 -1.18 -0.90 107.32 103.57 1j0k s GLY 324 Ca 0.34 1.51 0.05 0.00 0.00 0.00 0.00 44.72 46.62 1j0k s GLY 324 CO 0.30 0.48 -0.20 -0.98 0.00 0.00 0.00 173.10 172.70 1j0k s TRP 325 N -2.30 2.07 -0.23 1.90 0.52 0.36 -2.16 118.94 119.11 1j0k s TRP 325 Ca 0.11 -0.68 -0.04 0.00 0.02 0.00 0.00 56.10 55.51 1j0k s TRP 325 Cb 0.00 -1.39 -0.01 0.00 -1.15 0.00 0.00 33.47 30.93 1j0k s TRP 325 CO -0.04 -0.24 -0.02 0.50 0.02 0.00 0.00 176.95 177.16 1j0k s ARG 326 N 0.11 3.37 -0.35 4.98 3.00 -0.52 -0.44 118.95 129.11 1j0k s ARG 326 Ca -0.08 -0.63 -0.00 0.00 -1.00 0.00 0.00 55.73 54.02 1j0k s ARG 326 Cb -0.14 -3.07 0.09 0.00 0.00 0.00 0.00 34.95 31.83 1j0k s ARG 326 CO 0.04 -0.22 0.07 -0.51 0.00 0.00 0.00 175.30 174.69 1j0k s LEU 327 N 1.49 4.58 0.75 -0.88 1.02 -0.09 0.11 118.68 125.66 1j0k s LEU 327 Ca 0.05 -1.81 -0.11 0.00 0.02 0.00 0.00 54.13 52.29 1j0k s LEU 327 Cb -0.15 -1.71 0.04 0.00 0.02 0.00 0.00 46.19 44.39 1j0k s LEU 327 CO -0.02 -0.39 1.09 1.51 0.02 0.00 0.00 176.35 178.56 1j0k s ASP 328 N 1.34 4.68 -1.01 2.29 1.47 -1.21 -0.77 116.67 123.45 1j0k s ASP 328 Ca 0.04 1.84 0.00 0.00 1.18 0.00 0.00 52.55 55.60 1j0k s ASP 328 Cb -0.21 -2.52 0.00 0.00 -0.34 0.00 0.00 42.92 39.85 1j0k s ASP 328 CO -0.05 -1.92 0.00 0.52 0.68 0.00 0.00 175.17 174.40 1j0k n VAL 329 N -3.30 -0.10 -0.20 2.11 0.31 -1.25 -4.42 118.33 111.48 1j0k n VAL 329 Ca 0.09 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.54 1j0k n VAL 329 Cb 0.53 -1.04 0.42 0.00 -0.91 0.00 0.00 33.84 32.84 1j0k n VAL 329 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1j0k h ALA 330 N 1.04 1.91 0.00 3.52 0.00 -1.47 -0.34 119.26 123.92 1j0k h ALA 330 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1j0k h ALA 330 Cb 0.76 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1j0k h ALA 330 CO 0.29 -0.10 0.00 0.27 0.00 0.00 0.00 179.25 179.72 1j0k n ASN 331 N -4.51 0.17 -0.96 0.00 2.04 -1.24 -0.82 115.26 109.95 1j0k n ASN 331 Ca 0.14 0.58 0.12 0.00 -0.44 0.00 0.00 54.58 54.98 1j0k n ASN 331 Cb 0.43 -0.60 0.19 0.00 -2.53 0.00 0.00 39.78 37.27 1j0k n ASN 331 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1j0k n GLU 332 N -1.73 2.29 -3.79 -3.83 1.02 -0.14 -4.89 120.64 109.58 1j0k n GLU 332 Ca -0.00 -1.91 -0.34 0.00 -0.02 0.00 0.00 57.16 54.89 1j0k n GLU 332 Cb 0.01 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 29.91 1j0k n GLU 332 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1j0k s ILE 333 N -1.83 5.32 0.47 -3.67 1.01 0.00 -5.06 121.20 117.44 1j0k s ILE 333 Ca 0.33 0.03 -0.23 0.00 0.00 0.00 0.00 60.65 60.77 1j0k s ILE 333 Cb 0.21 -3.58 -0.07 0.00 0.01 0.00 0.00 42.46 39.03 1j0k s ILE 333 CO 0.31 0.29 1.24 1.51 0.00 0.00 0.00 174.94 178.29 1j0k s ASP 334 N -1.93 5.97 0.29 3.58 -4.77 -1.26 -4.92 116.67 113.63 1j0k s ASP 334 Ca 0.30 2.50 0.02 0.00 -3.30 0.00 0.00 52.55 52.07 1j0k s ASP 334 Cb -0.13 -2.62 0.59 0.00 -1.09 0.00 0.00 42.92 39.67 1j0k s ASP 334 CO 0.19 -1.07 1.83 0.45 0.70 0.00 0.00 175.17 177.28 1j0k h HIS 335 N 2.04 1.12 -0.99 2.11 3.86 -1.96 -1.90 115.15 119.43 1j0k h HIS 335 Ca -0.50 0.03 0.14 0.00 -1.16 0.00 0.00 60.37 58.88 1j0k h HIS 335 Cb 1.26 -0.35 -0.09 0.00 1.06 0.00 0.00 27.41 29.29 1j0k h HIS 335 CO 0.51 0.42 0.61 1.49 0.86 0.00 0.00 177.93 181.83 1j0k h GLU 336 N 0.96 0.88 -0.06 2.45 4.81 -2.00 0.56 114.58 122.18 1j0k h GLU 336 Ca 0.50 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.66 1j0k h GLU 336 Cb 0.54 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1j0k h GLU 336 CO -0.27 0.58 -0.06 0.35 -0.73 0.00 0.00 179.01 178.89 1j0k h PHE 337 N 0.91 0.17 -0.04 0.92 3.04 -1.68 -3.08 116.94 117.18 1j0k h PHE 337 Ca 0.51 -0.05 0.01 0.00 3.98 0.00 0.00 57.97 62.42 1j0k h PHE 337 Cb 0.59 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 39.06 1j0k h PHE 337 CO -0.01 0.59 0.03 -1.49 -2.02 0.00 0.00 178.31 175.41 1j0k h TRP 338 N -0.29 0.00 -0.34 0.41 -0.00 -1.13 0.15 115.95 114.75 1j0k h TRP 338 Ca 0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 58.86 1j0k h TRP 338 Cb 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.70 1j0k h TRP 338 CO 0.09 0.00 0.06 0.00 -0.00 0.00 0.00 178.44 178.58 1j0k h ARG 339 N 0.00 0.57 0.37 0.49 3.08 -0.86 -2.39 114.38 115.64 1j0k h ARG 339 Ca 0.02 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 1j0k h ARG 339 Cb 0.09 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1j0k h ARG 339 CO -0.00 0.64 -0.18 0.93 -1.07 0.00 0.00 179.97 180.30 1j0k h GLU 340 N 0.40 -0.48 -0.63 0.04 5.08 -1.14 -2.82 114.58 115.04 1j0k h GLU 340 Ca 0.10 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.62 1j0k h GLU 340 Cb 0.35 0.11 -0.12 0.00 0.50 0.00 0.00 28.75 29.59 1j0k h GLU 340 CO 0.01 -0.16 -0.17 0.34 -1.00 0.00 0.00 179.01 178.02 1j0k n PHE 341 N -5.14 0.19 0.39 4.33 7.35 0.41 0.12 117.46 125.10 1j0k n PHE 341 Ca -0.09 0.77 -0.15 0.00 -0.76 0.00 0.00 57.45 57.21 1j0k n PHE 341 Cb 0.28 -0.84 -0.07 0.00 0.35 0.00 0.00 39.48 39.19 1j0k n PHE 341 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1j0k h ARG 342 N 0.00 -0.97 -0.95 -4.13 2.43 -1.45 -1.12 114.38 108.21 1j0k h ARG 342 Ca 0.29 0.07 0.12 0.00 -0.81 0.00 0.00 59.98 59.64 1j0k h ARG 342 Cb 0.44 0.22 -0.13 0.00 -0.42 0.00 0.00 29.97 30.08 1j0k h ARG 342 CO -0.64 -0.64 -0.45 1.04 -1.51 0.00 0.00 179.97 177.76 1j0k n GLN 343 N -5.06 -0.31 0.41 0.20 6.02 0.32 0.52 117.38 119.48 1j0k n GLN 343 Ca -0.12 1.44 -0.18 0.00 -0.01 0.00 0.00 57.00 58.13 1j0k n GLN 343 Cb 0.40 -2.13 -0.09 0.00 1.02 0.00 0.00 30.24 29.43 1j0k n GLN 343 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1j0k h GLU 344 N 0.00 -0.99 -0.17 -1.09 5.08 -0.98 -0.87 114.58 115.56 1j0k h GLU 344 Ca 0.25 0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.73 1j0k h GLU 344 Cb 0.49 0.23 -0.07 0.00 0.50 0.00 0.00 28.75 29.89 1j0k h GLU 344 CO -0.92 -0.65 -0.32 0.28 -1.00 0.00 0.00 179.01 176.40 1j0k h VAL 345 N -1.13 0.27 0.00 3.13 2.07 -0.05 -0.81 116.25 119.74 1j0k h VAL 345 Ca -0.11 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1j0k h VAL 345 Cb 0.81 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1j0k h VAL 345 CO 0.17 0.00 -0.06 0.11 0.02 0.00 0.00 177.57 177.82 1j0k h LYS 346 N -0.38 0.00 -0.29 1.57 1.79 0.05 -1.18 116.57 118.13 1j0k h LYS 346 Ca 0.10 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.41 1j0k h LYS 346 Cb 0.55 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1j0k h LYS 346 CO -0.38 0.06 -0.49 0.00 -1.08 0.00 0.00 179.45 177.56 1j0k h ALA 347 N 1.94 0.59 0.08 3.86 0.00 0.25 -2.92 119.26 123.07 1j0k h ALA 347 Ca -0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1j0k h ALA 347 Cb 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1j0k h ALA 347 CO 0.01 0.68 -0.04 1.25 0.00 0.00 0.00 179.25 181.15 1j0k h LEU 348 N 0.62 -0.09 -7.41 0.00 6.46 -0.43 -3.43 115.31 111.03 1j0k h LEU 348 Ca 0.03 0.00 -0.63 0.00 -0.12 0.00 0.00 57.88 57.16 1j0k h LEU 348 Cb 1.07 0.02 -0.40 0.00 -0.73 0.00 0.00 40.66 40.62 1j0k h LEU 348 CO 0.11 0.01 -0.70 -0.75 -0.62 0.00 0.00 178.44 176.48 1j0k s LYS 349 N -2.00 1.45 0.20 1.25 2.20 -0.55 -5.03 119.74 117.26 1j0k s LYS 349 Ca -0.02 -1.96 -0.22 0.00 -0.36 0.00 0.00 55.97 53.41 1j0k s LYS 349 Cb 0.00 -2.90 0.13 0.00 -1.51 0.00 0.00 37.83 33.55 1j0k s LYS 349 CO 0.05 -1.03 1.56 -1.35 -0.36 0.00 0.00 175.35 174.22 1j0k h PRO 350 N 7.25 -0.08 -2.32 4.03 0.11 -1.74 -3.01 132.00 136.25 1j0k h PRO 350 Ca -0.06 0.01 -0.66 0.00 0.11 0.00 0.00 66.00 65.40 1j0k h PRO 350 Cb 0.97 0.02 -0.16 0.00 0.11 0.00 0.00 31.00 31.94 1j0k h PRO 350 CO 0.55 -0.06 1.47 -0.40 -0.21 0.00 0.00 178.00 179.36 1j0k n ASP 351 N -5.42 7.37 -4.65 -2.05 3.85 -1.26 -4.84 116.55 109.55 1j0k n ASP 351 Ca 0.06 -3.24 -0.36 0.00 -0.71 0.00 0.00 54.79 50.54 1j0k n ASP 351 Cb 0.36 -1.28 -0.09 0.00 -1.35 0.00 0.00 41.12 38.75 1j0k n ASP 351 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1j0k s VAL 352 N -2.01 5.14 -0.43 2.12 1.01 -1.14 -4.87 120.40 120.22 1j0k s VAL 352 Ca 0.55 0.10 -0.28 0.00 0.00 0.00 0.00 61.98 62.34 1j0k s VAL 352 Cb 0.27 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 33.29 1j0k s VAL 352 CO -0.16 0.40 1.48 -0.47 0.00 0.00 0.00 175.10 176.34 1j0k s TYR 353 N 0.76 2.28 -0.76 5.22 5.04 -0.08 -4.78 117.35 125.04 1j0k s TYR 353 Ca 0.06 0.64 -0.14 0.00 -2.44 0.00 0.00 57.07 55.19 1j0k s TYR 353 Cb -0.13 -4.30 0.20 0.00 0.35 0.00 0.00 41.96 38.08 1j0k s TYR 353 CO 0.02 -2.12 0.70 0.42 -1.34 0.00 0.00 175.55 173.23 1j0k s ILE 354 N 5.84 5.49 -0.44 3.14 1.01 -1.26 -0.48 121.20 134.49 1j0k s ILE 354 Ca 0.63 -2.26 -0.17 0.00 0.00 0.00 0.00 60.65 58.84 1j0k s ILE 354 Cb -0.14 -4.42 0.03 0.00 0.01 0.00 0.00 42.46 37.94 1j0k s ILE 354 CO 0.31 -0.99 0.45 -0.22 0.00 0.00 0.00 174.94 174.49 1j0k s LEU 355 N 0.48 4.98 0.14 2.97 2.96 0.42 -0.87 118.68 129.76 1j0k s LEU 355 Ca 0.15 -0.79 -0.16 0.00 -0.22 0.00 0.00 54.13 53.10 1j0k s LEU 355 Cb -0.15 -2.36 -0.07 0.00 0.50 0.00 0.00 46.19 44.11 1j0k s LEU 355 CO -0.06 -0.62 0.57 -0.83 -1.32 0.00 0.00 176.35 174.09 1j0k s GLY 356 N 2.01 2.52 -0.34 7.98 0.00 -0.80 -0.91 107.32 117.79 1j0k s GLY 356 Ca 0.11 -0.06 -0.23 0.00 0.00 0.00 0.00 44.72 44.55 1j0k s GLY 356 CO 0.12 0.26 0.75 1.62 0.00 0.00 0.00 173.10 175.86 1j0k s GLN 357 N -1.76 3.82 -0.05 2.90 0.74 0.05 -3.45 119.66 121.91 1j0k s GLN 357 Ca 0.36 0.36 0.00 0.00 0.05 0.00 0.00 55.36 56.13 1j0k s GLN 357 Cb -0.16 -3.78 0.02 0.00 1.10 0.00 0.00 33.01 30.20 1j0k s GLN 357 CO 0.19 -0.76 -0.02 0.42 -0.55 0.00 0.00 175.29 174.57 1j0k s ILE 358 N 2.96 0.45 -0.77 -2.34 1.01 -1.26 -3.02 121.20 118.23 1j0k s ILE 358 Ca 0.30 -0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.91 1j0k s ILE 358 Cb -0.14 -0.53 0.39 0.00 0.01 0.00 0.00 42.46 42.19 1j0k s ILE 358 CO 0.15 0.23 2.04 1.87 0.00 0.00 0.00 174.94 179.23 1j0k n TRP 359 N 4.45 3.08 -3.80 3.97 -0.00 -1.26 -4.41 117.44 119.46 1j0k n TRP 359 Ca -0.19 -2.63 0.03 0.00 -0.00 0.00 0.00 57.50 54.71 1j0k n TRP 359 Cb 0.50 -1.31 0.00 0.00 -0.00 0.00 0.00 31.31 30.51 1j0k n TRP 359 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 177.69 174.31 1j0k s HIS 360 N -3.95 -0.00 -0.45 5.87 -3.43 -1.26 -5.08 115.29 106.99 1j0k s HIS 360 Ca 0.58 -0.08 -0.43 0.00 -0.80 0.00 0.00 55.06 54.33 1j0k s HIS 360 Cb 0.47 0.54 -0.18 0.00 -1.43 0.00 0.00 32.58 31.98 1j0k s HIS 360 CO -0.24 -0.19 1.98 -3.47 -2.00 0.00 0.00 174.74 170.82 1j0k n ASP 361 N -0.78 1.25 -1.25 7.38 4.64 -1.26 -4.81 116.55 121.71 1j0k n ASP 361 Ca -0.02 0.80 0.08 0.00 -1.38 0.00 0.00 54.79 54.27 1j0k n ASP 361 Cb 0.61 -0.98 0.30 0.00 -1.04 0.00 0.00 41.12 40.01 1j0k n ASP 361 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1j0k n ALA 362 N 6.81 2.90 -0.32 -1.67 0.00 -1.26 -4.74 120.51 122.24 1j0k n ALA 362 Ca 0.44 -1.67 0.19 0.00 0.00 0.00 0.00 53.44 52.40 1j0k n ALA 362 Cb 0.01 -0.83 0.38 0.00 0.00 0.00 0.00 19.45 19.02 1j0k n ALA 362 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1j0k h MET 363 N 3.17 0.14 -0.10 0.00 -1.53 -1.94 0.32 114.93 115.00 1j0k h MET 363 Ca 0.00 -0.01 0.03 0.00 -3.44 0.00 0.00 59.70 56.28 1j0k h MET 363 Cb 1.32 -0.03 -0.00 0.00 -0.55 0.00 0.00 31.60 32.34 1j0k h MET 363 CO 0.19 0.10 0.10 -1.35 0.14 0.00 0.00 176.91 176.09 1j0k h PRO 364 N 0.15 0.00 -0.26 0.39 0.11 -2.00 -1.77 132.00 128.61 1j0k h PRO 364 Ca 0.65 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.76 1j0k h PRO 364 Cb 1.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.56 1j0k h PRO 364 CO -0.73 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 177.97 1j0k n TRP 365 N -3.91 0.32 -2.39 0.65 8.01 0.11 -4.46 117.44 115.77 1j0k n TRP 365 Ca -0.01 -0.16 -0.20 0.00 -1.31 0.00 0.00 57.50 55.83 1j0k n TRP 365 Cb 0.21 0.00 0.02 0.00 -2.01 0.00 0.00 31.31 29.52 1j0k n TRP 365 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 1j0k n LEU 366 N 1.45 3.93 -0.00 -0.99 4.77 -0.67 -2.48 117.00 123.00 1j0k n LEU 366 Ca 0.17 -4.57 0.10 0.00 -0.03 0.00 0.00 56.01 51.69 1j0k n LEU 366 Cb 0.61 -0.17 -0.12 0.00 -2.33 0.00 0.00 43.42 41.41 1j0k n LEU 366 CO 0.16 1.95 -0.23 0.54 -1.33 0.00 0.00 177.39 178.47 1j0k n ARG 367 N -0.51 0.20 0.00 3.23 1.74 -1.25 -4.97 116.66 115.10 1j0k n ARG 367 Ca 0.32 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 1j0k n ARG 367 Cb 0.81 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.73 1j0k n ARG 367 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j0k n GLY 368 N 1.42 1.69 1.13 -0.13 0.00 -1.26 -4.51 105.19 103.53 1j0k n GLY 368 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1j0k n GLY 368 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j0k n ASP 369 N 0.00 3.70 0.00 1.61 5.75 -1.26 -4.82 116.55 121.53 1j0k n ASP 369 Ca 0.00 -2.07 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 1j0k n ASP 369 Cb 0.00 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 1j0k n ASP 369 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1j0k n GLN 370 N 1.17 0.00 -1.82 0.11 6.02 -1.26 -4.19 117.38 117.40 1j0k n GLN 370 Ca 0.20 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.90 1j0k n GLN 370 Cb 0.59 0.00 0.11 0.00 1.02 0.00 0.00 30.24 31.96 1j0k n GLN 370 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1j0k s PHE 371 N 1.55 2.76 -0.30 1.08 0.08 -1.04 -4.79 117.98 117.33 1j0k s PHE 371 Ca 0.00 0.74 0.12 0.00 0.12 0.00 0.00 56.93 57.91 1j0k s PHE 371 Cb 0.00 -3.51 -0.16 0.00 -0.57 0.00 0.00 43.02 38.78 1j0k s PHE 371 CO 0.00 -1.97 0.39 -0.25 -0.10 0.00 0.00 175.22 173.28 1j0k n ASP 372 N -3.45 1.36 -3.62 1.36 8.00 -0.04 -4.65 116.55 115.51 1j0k n ASP 372 Ca 0.08 -0.40 -0.01 0.00 0.71 0.00 0.00 54.79 55.17 1j0k n ASP 372 Cb 0.61 1.27 -0.01 0.00 -0.02 0.00 0.00 41.12 42.96 1j0k n ASP 372 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j0k s ALA 373 N -2.46 -2.11 0.41 2.24 0.00 -1.24 -4.83 121.76 113.76 1j0k s ALA 373 Ca 0.00 0.93 0.04 0.00 0.00 0.00 0.00 51.96 52.93 1j0k s ALA 373 Cb 0.08 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 1j0k s ALA 373 CO 0.49 -0.90 0.12 0.14 0.00 0.00 0.00 175.76 175.61 1j0k s VAL 374 N -2.54 0.66 -0.45 0.00 -7.23 -1.26 -1.90 120.40 107.69 1j0k s VAL 374 Ca 0.12 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.02 1j0k s VAL 374 Cb 0.02 -2.37 0.03 0.00 0.56 0.00 0.00 36.38 34.62 1j0k s VAL 374 CO -0.04 0.00 1.04 -0.32 -0.31 0.00 0.00 175.10 175.47 1j0k s MET 375 N -3.73 3.69 -0.97 4.82 1.75 -1.22 -3.15 119.30 120.49 1j0k s MET 375 Ca 0.24 0.45 -0.21 0.00 -1.25 0.00 0.00 55.69 54.92 1j0k s MET 375 Cb 0.03 -3.89 -0.11 0.00 2.84 0.00 0.00 34.83 33.70 1j0k s MET 375 CO 0.14 -1.25 1.96 -1.71 -0.65 0.00 0.00 175.02 173.52 1j0k n ASN 376 N 7.43 2.94 -0.08 1.11 2.85 -0.74 -4.73 115.26 124.03 1j0k n ASN 376 Ca 0.09 -2.72 -0.03 0.00 -0.11 0.00 0.00 54.58 51.82 1j0k n ASN 376 Cb 0.49 -1.33 0.20 0.00 1.24 0.00 0.00 39.78 40.38 1j0k n ASN 376 CO 0.00 0.00 0.00 1.88 -2.11 0.00 0.00 177.26 177.03 1j0k h TYR 377 N 7.87 0.76 -0.44 1.20 0.99 -1.87 -2.05 116.97 123.44 1j0k h TYR 377 Ca 0.42 -0.09 0.07 0.00 2.00 0.00 0.00 58.73 61.13 1j0k h TYR 377 Cb 0.72 -0.21 -0.02 0.00 1.00 0.00 0.00 36.73 38.21 1j0k h TYR 377 CO 1.28 0.70 0.30 -1.35 -0.00 0.00 0.00 178.16 179.08 1j0k h PRO 378 N 0.68 0.28 -0.22 4.88 0.11 -1.97 0.52 132.00 136.27 1j0k h PRO 378 Ca 0.14 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.15 1j0k h PRO 378 Cb 0.39 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 1j0k h PRO 378 CO 0.01 0.18 -0.18 0.35 -0.21 0.00 0.00 178.00 178.16 1j0k h PHE 379 N 0.29 0.61 0.92 0.65 3.04 -1.77 -1.92 116.94 118.75 1j0k h PHE 379 Ca 0.20 -0.17 -0.05 0.00 3.98 0.00 0.00 57.97 61.93 1j0k h PHE 379 Cb 0.41 -0.13 0.01 0.00 2.56 0.00 0.00 35.95 38.80 1j0k h PHE 379 CO -0.00 0.83 -0.44 1.15 -2.02 0.00 0.00 178.31 177.83 1j0k h THR 380 N 0.21 0.00 -0.74 4.41 2.02 0.32 -1.28 112.91 117.84 1j0k h THR 380 Ca 0.04 -0.07 0.14 0.00 0.77 0.00 0.00 66.41 67.29 1j0k h THR 380 Cb 0.71 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.98 1j0k h THR 380 CO 0.05 0.00 -0.24 -0.78 0.37 0.00 0.00 175.52 174.92 1j0k h ASP 381 N -1.31 -0.87 0.19 4.18 3.58 -0.27 -1.94 116.42 119.98 1j0k h ASP 381 Ca -0.13 0.24 -0.00 0.00 0.42 0.00 0.00 57.03 57.56 1j0k h ASP 381 Cb 0.95 0.52 -0.01 0.00 1.72 0.00 0.00 39.33 42.50 1j0k h ASP 381 CO 0.21 -0.27 -0.25 1.23 -2.88 0.00 0.00 179.24 177.28 1j0k h GLY 382 N -0.04 -1.04 -0.18 -0.78 0.00 -1.17 -1.13 103.07 98.72 1j0k h GLY 382 Ca 0.34 0.49 0.25 0.00 0.00 0.00 0.00 47.33 48.40 1j0k h GLY 382 CO -0.78 -0.33 0.55 -2.08 0.00 0.00 0.00 176.54 173.89 1j0k h VAL 383 N -0.46 0.51 -0.15 4.60 2.07 -0.74 -1.21 116.25 120.86 1j0k h VAL 383 Ca -0.02 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 1j0k h VAL 383 Cb 0.41 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1j0k h VAL 383 CO -0.06 0.10 -0.11 -0.07 0.02 0.00 0.00 177.57 177.44 1j0k h LEU 384 N 0.52 0.36 -2.31 2.57 3.38 -1.20 -0.33 115.31 118.30 1j0k h LEU 384 Ca 0.63 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1j0k h LEU 384 Cb 1.22 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1j0k h LEU 384 CO -0.50 0.73 0.01 0.03 0.09 0.00 0.00 178.44 178.81 1j0k h ARG 385 N -0.01 0.00 0.00 1.13 3.08 -0.03 0.16 114.38 118.71 1j0k h ARG 385 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1j0k h ARG 385 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1j0k h ARG 385 CO 0.03 0.00 -0.61 0.34 -1.07 0.00 0.00 179.97 178.66 1j0k n PHE 386 N -4.06 0.54 -0.04 3.04 7.35 -0.80 -0.05 117.46 123.44 1j0k n PHE 386 Ca -0.03 0.23 -0.14 0.00 -0.76 0.00 0.00 57.45 56.76 1j0k n PHE 386 Cb 0.10 -0.62 -0.09 0.00 0.35 0.00 0.00 39.48 39.22 1j0k n PHE 386 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1j0k h PHE 387 N -0.89 0.30 0.00 -5.13 0.04 -1.12 -3.07 116.94 107.07 1j0k h PHE 387 Ca 0.00 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.67 1j0k h PHE 387 Cb 0.61 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.70 1j0k h PHE 387 CO -0.26 0.73 -0.08 0.00 -0.60 0.00 0.00 178.31 178.10 1j0k h ALA 388 N 0.52 0.00 -0.39 2.45 0.00 -1.37 -3.40 119.26 117.07 1j0k h ALA 388 Ca 0.01 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1j0k h ALA 388 Cb 0.70 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1j0k h ALA 388 CO 0.03 0.08 -0.20 0.87 0.00 0.00 0.00 179.25 180.02 1j0k h LYS 389 N -0.41 0.76 -0.92 0.00 1.57 -0.91 -3.44 116.57 113.22 1j0k h LYS 389 Ca 0.00 -0.29 -0.17 0.00 -1.87 0.00 0.00 60.65 58.32 1j0k h LYS 389 Cb 0.08 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1j0k h LYS 389 CO 0.00 0.90 -0.19 0.39 -0.57 0.00 0.00 179.45 179.98 1j0k n GLU 390 N -4.12 -0.64 0.10 3.15 1.02 -0.65 -4.94 120.64 114.57 1j0k n GLU 390 Ca 0.00 0.53 -0.02 0.00 -0.02 0.00 0.00 57.16 57.65 1j0k n GLU 390 Cb 0.42 -4.46 -0.04 0.00 -0.02 0.00 0.00 31.44 27.34 1j0k n GLU 390 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1j0k h GLU 391 N 0.00 0.00 -6.33 3.49 5.08 -0.71 -3.46 114.58 112.65 1j0k h GLU 391 Ca -0.19 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.58 1j0k h GLU 391 Cb 0.95 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.08 1j0k h GLU 391 CO 0.24 0.76 -0.67 0.96 -1.00 0.00 0.00 179.01 179.29 1j0k s ILE 392 N -2.86 3.50 0.75 3.13 -4.36 -1.14 -5.05 121.20 115.17 1j0k s ILE 392 Ca 0.02 -1.63 -0.13 0.00 -0.26 0.00 0.00 60.65 58.66 1j0k s ILE 392 Cb 0.09 -2.78 0.18 0.00 1.25 0.00 0.00 42.46 41.19 1j0k s ILE 392 CO 0.78 -0.19 0.92 -1.54 0.24 0.00 0.00 174.94 175.16 1j0k n SER 393 N -0.31 -0.37 0.08 4.36 3.41 -1.26 -4.71 113.62 114.82 1j0k n SER 393 Ca -0.09 -1.26 -0.11 0.00 -0.26 0.00 0.00 58.87 57.15 1j0k n SER 393 Cb 0.56 -0.73 -0.02 0.00 -0.26 0.00 0.00 64.21 63.76 1j0k n SER 393 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j0k h ALA 394 N -2.01 0.47 -0.49 7.33 0.00 -1.80 -2.37 119.26 120.39 1j0k h ALA 394 Ca -0.31 -0.71 -0.08 0.00 0.00 0.00 0.00 54.91 53.81 1j0k h ALA 394 Cb 0.87 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1j0k h ALA 394 CO 0.21 0.86 -0.04 -0.09 0.00 0.00 0.00 179.25 180.20 1j0k h ARG 395 N 0.17 0.84 -0.21 0.00 1.12 -1.94 -0.29 114.38 114.06 1j0k h ARG 395 Ca -0.06 -0.25 -0.02 0.00 -1.11 0.00 0.00 59.98 58.54 1j0k h ARG 395 Cb 1.51 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 31.38 1j0k h ARG 395 CO 0.14 0.87 0.06 1.96 -3.11 0.00 0.00 179.97 179.89 1j0k h GLN 396 N 0.77 0.34 -0.15 0.20 4.20 -1.87 0.18 115.11 118.78 1j0k h GLN 396 Ca 0.14 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1j0k h GLN 396 Cb 0.52 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1j0k h GLN 396 CO 0.03 0.45 0.10 0.35 -0.67 0.00 0.00 178.83 179.09 1j0k h PHE 397 N 0.17 0.18 -0.77 2.96 3.57 -1.12 0.11 116.94 122.03 1j0k h PHE 397 Ca 0.07 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1j0k h PHE 397 Cb 0.26 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 1j0k h PHE 397 CO 0.01 0.11 0.46 0.00 -2.23 0.00 0.00 178.31 176.66 1j0k h ALA 398 N 1.06 1.37 0.23 2.41 0.00 -0.97 0.46 119.26 123.82 1j0k h ALA 398 Ca 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1j0k h ALA 398 Cb -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.46 1j0k h ALA 398 CO -0.02 0.55 -0.12 -0.91 0.00 0.00 0.00 179.25 178.74 1j0k h ASN 399 N 1.06 -0.29 0.52 0.00 2.35 0.58 -1.37 115.58 118.43 1j0k h ASN 399 Ca 0.28 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.97 1j0k h ASN 399 Cb -0.05 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1j0k h ASN 399 CO -0.05 -0.20 -0.32 1.56 -1.65 0.00 0.00 177.43 176.76 1j0k h GLN 400 N -0.33 0.00 -0.08 0.81 1.08 -0.32 0.72 115.11 116.99 1j0k h GLN 400 Ca -0.03 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.93 1j0k h GLN 400 Cb 0.26 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.70 1j0k h GLN 400 CO 0.04 0.32 -0.89 0.52 -0.95 0.00 0.00 178.83 177.88 1j0k h MET 401 N 0.00 0.71 -0.31 1.46 2.86 -0.80 -2.18 114.93 116.68 1j0k h MET 401 Ca -0.00 -0.66 -0.16 0.00 -2.06 0.00 0.00 59.70 56.82 1j0k h MET 401 Cb 0.67 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 1j0k h MET 401 CO 0.04 1.26 -0.44 0.52 1.06 0.00 0.00 176.91 179.35 1j0k h MET 402 N 0.45 0.79 -0.94 1.72 2.86 -1.00 -2.20 114.93 116.61 1j0k h MET 402 Ca -0.08 -0.44 0.02 0.00 -2.06 0.00 0.00 59.70 57.14 1j0k h MET 402 Cb 1.52 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 33.16 1j0k h MET 402 CO 0.18 1.07 0.62 1.25 1.06 0.00 0.00 176.91 181.09 1j0k h HIS 403 N 0.64 1.17 0.00 -0.22 6.17 -0.77 0.25 115.15 122.38 1j0k h HIS 403 Ca 0.04 0.03 -0.18 0.00 0.71 0.00 0.00 60.37 60.97 1j0k h HIS 403 Cb 1.01 -0.39 -0.03 0.00 2.52 0.00 0.00 27.41 30.52 1j0k h HIS 403 CO 0.06 0.71 -0.87 -0.39 0.71 0.00 0.00 177.93 178.15 1j0k h VAL 404 N 1.24 1.55 -0.03 5.26 -1.51 -1.30 -3.04 116.25 118.43 1j0k h VAL 404 Ca 0.36 -3.03 -0.18 0.00 -1.23 0.00 0.00 66.70 62.61 1j0k h VAL 404 Cb -0.08 2.67 0.01 0.00 -2.13 0.00 0.00 31.29 31.76 1j0k h VAL 404 CO -0.09 0.85 -0.69 -0.07 -1.23 0.00 0.00 177.57 176.34 1j0k h LEU 405 N 0.00 0.65 0.00 4.19 3.38 -0.85 -3.09 115.31 119.60 1j0k h LEU 405 Ca -0.01 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.23 1j0k h LEU 405 Cb 1.60 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1j0k h LEU 405 CO 0.11 1.29 0.00 1.41 0.09 0.00 0.00 178.44 181.34 1j0k n HIS 406 N -4.13 0.00 0.16 1.13 8.25 0.03 -3.00 115.22 117.66 1j0k n HIS 406 Ca -0.10 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.40 1j0k n HIS 406 Cb 0.71 -0.20 0.13 0.00 1.12 0.00 0.00 29.99 31.75 1j0k n HIS 406 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1j0k h SER 407 N 0.00 0.00 -1.59 0.41 4.64 -1.44 -3.46 113.55 112.11 1j0k h SER 407 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 1j0k h SER 407 Cb 0.18 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.15 1j0k h SER 407 CO 0.00 0.43 -0.57 -0.31 -0.87 0.00 0.00 176.83 175.50 1j0k s TYR 408 N -3.15 2.51 0.66 4.77 2.02 -1.16 -4.41 117.35 118.58 1j0k s TYR 408 Ca 0.03 -0.66 -0.12 0.00 -0.37 0.00 0.00 57.07 55.95 1j0k s TYR 408 Cb 0.08 -1.81 -0.01 0.00 -0.40 0.00 0.00 41.96 39.82 1j0k s TYR 408 CO 0.72 0.38 1.05 -2.14 -1.57 0.00 0.00 175.55 174.00 1j0k s PRO 409 N -3.76 3.11 0.18 -1.71 0.02 -1.26 -4.74 135.00 126.85 1j0k s PRO 409 Ca 0.35 1.00 -0.13 0.00 0.02 0.00 0.00 61.00 62.24 1j0k s PRO 409 Cb 0.08 -2.01 0.09 0.00 0.02 0.00 0.00 34.50 32.68 1j0k s PRO 409 CO 0.18 -0.96 1.84 -0.91 -0.33 0.00 0.00 177.00 176.82 1j0k h ASN 410 N -0.36 0.70 0.75 2.53 2.35 -1.92 -1.77 115.58 117.86 1j0k h ASN 410 Ca -0.45 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.25 1j0k h ASN 410 Cb 1.21 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 39.40 1j0k h ASN 410 CO 0.57 0.52 -0.11 -0.55 -1.65 0.00 0.00 177.43 176.21 1j0k h ASN 411 N 0.81 0.00 0.42 5.81 7.08 -1.93 -1.75 115.58 126.01 1j0k h ASN 411 Ca 0.22 0.00 -0.26 0.00 -3.08 0.00 0.00 56.30 53.18 1j0k h ASN 411 Cb -0.07 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.18 1j0k h ASN 411 CO -0.05 0.11 -1.12 0.58 -2.08 0.00 0.00 177.43 174.87 1j0k h VAL 412 N 0.00 1.42 0.00 6.14 2.07 -1.84 -3.20 116.25 120.83 1j0k h VAL 412 Ca -0.00 -2.69 -0.07 0.00 0.82 0.00 0.00 66.70 64.76 1j0k h VAL 412 Cb 0.51 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.96 1j0k h VAL 412 CO 0.01 0.80 -0.34 0.78 0.02 0.00 0.00 177.57 178.85 1j0k h ASN 413 N 0.17 0.00 0.60 0.57 2.35 -0.51 -2.95 115.58 115.81 1j0k h ASN 413 Ca -0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1j0k h ASN 413 Cb 1.80 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.17 1j0k h ASN 413 CO 0.19 0.34 0.00 -0.33 -1.65 0.00 0.00 177.43 175.98 1j0k h GLU 414 N 0.00 0.00 0.00 0.81 5.08 -1.34 -2.90 114.58 116.22 1j0k h GLU 414 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1j0k h GLU 414 Cb 0.64 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1j0k h GLU 414 CO 0.04 0.00 -0.38 0.00 -1.00 0.00 0.00 179.01 177.68 1j0k n ALA 415 N -1.87 3.08 -2.59 3.43 0.00 -1.12 -3.97 120.51 117.47 1j0k n ALA 415 Ca 0.01 -2.95 -0.42 0.00 0.00 0.00 0.00 53.44 50.08 1j0k n ALA 415 Cb 0.20 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.23 1j0k n ALA 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0k s ALA 416 N -2.80 3.29 -0.62 0.00 0.00 -1.10 -4.62 121.76 115.92 1j0k s ALA 416 Ca 0.34 0.65 -0.27 0.00 0.00 0.00 0.00 51.96 52.68 1j0k s ALA 416 Cb 0.33 -3.40 -0.00 0.00 0.00 0.00 0.00 23.12 20.05 1j0k s ALA 416 CO -0.04 -0.37 1.61 0.12 0.00 0.00 0.00 175.76 177.08 1j0k s PHE 417 N 1.19 1.97 -0.46 0.00 5.36 -1.19 -0.47 117.98 124.39 1j0k s PHE 417 Ca 0.54 0.50 -0.13 0.00 -0.96 0.00 0.00 56.93 56.88 1j0k s PHE 417 Cb -0.24 -4.30 0.08 0.00 -0.34 0.00 0.00 43.02 38.22 1j0k s PHE 417 CO 0.27 -2.21 0.35 -0.80 -1.46 0.00 0.00 175.22 171.37 1j0k s ASN 418 N 6.04 5.93 0.12 6.13 0.02 -0.81 -1.78 114.94 130.60 1j0k s ASN 418 Ca 0.56 -1.47 0.09 0.00 -1.02 0.00 0.00 52.86 51.03 1j0k s ASN 418 Cb -0.12 -2.10 -0.04 0.00 0.02 0.00 0.00 41.25 39.02 1j0k s ASN 418 CO 0.21 -0.63 -0.23 -1.48 0.02 0.00 0.00 177.10 174.99 1j0k s LEU 419 N 1.54 2.33 -0.00 0.60 2.34 -1.26 -0.68 118.68 123.54 1j0k s LEU 419 Ca 0.04 -0.74 0.19 0.00 0.06 0.00 0.00 54.13 53.68 1j0k s LEU 419 Cb -0.24 -1.02 -0.20 0.00 -0.56 0.00 0.00 46.19 44.16 1j0k s LEU 419 CO 0.04 0.10 0.59 0.18 -1.06 0.00 0.00 176.35 176.20 1j0k n LEU 420 N 0.89 0.42 -3.80 1.48 4.77 -1.26 -4.40 117.00 115.10 1j0k n LEU 420 Ca -0.18 0.18 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1j0k n LEU 420 Cb 0.54 0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.73 1j0k n LEU 420 CO 0.24 0.13 0.48 -0.83 -1.33 0.00 0.00 177.39 176.08 1j0k s GLY 421 N -4.80 -0.16 0.00 -0.72 0.00 -1.26 -4.85 107.32 95.53 1j0k s GLY 421 Ca -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.49 1j0k s GLY 421 CO 0.84 -0.05 0.00 -1.14 0.00 0.00 0.00 173.10 172.75 1j0k n SER 422 N -0.45 0.00 0.01 1.64 3.41 -1.26 -4.54 113.62 112.43 1j0k n SER 422 Ca -0.06 -0.82 0.11 0.00 -0.26 0.00 0.00 58.87 57.85 1j0k n SER 422 Cb 0.60 0.00 0.50 0.00 -0.26 0.00 0.00 64.21 65.04 1j0k n SER 422 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j0k n HIS 423 N 0.00 0.10 0.38 7.33 1.44 -1.26 -2.79 115.22 120.42 1j0k n HIS 423 Ca 0.00 0.03 0.09 0.00 -2.01 0.00 0.00 57.72 55.83 1j0k n HIS 423 Cb 0.00 -0.55 0.14 0.00 0.12 0.00 0.00 29.99 29.69 1j0k n HIS 423 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1j0k n ASP 424 N -1.58 2.85 -4.61 4.39 8.00 -1.26 -4.29 116.55 120.05 1j0k n ASP 424 Ca 0.06 -1.84 -0.32 0.00 0.71 0.00 0.00 54.79 53.40 1j0k n ASP 424 Cb 0.28 -0.13 -0.08 0.00 -0.02 0.00 0.00 41.12 41.18 1j0k n ASP 424 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1j0k s THR 425 N -1.32 0.97 0.87 -3.53 -4.23 -1.12 -4.60 115.64 102.69 1j0k s THR 425 Ca 0.27 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.64 1j0k s THR 425 Cb 0.17 -2.15 0.13 0.00 1.34 0.00 0.00 72.50 71.98 1j0k s THR 425 CO 0.23 0.00 1.24 -0.44 -0.54 0.00 0.00 174.62 175.11 1j0k s SER 426 N -3.83 3.92 -0.13 3.99 0.01 -1.26 -4.16 113.70 112.24 1j0k s SER 426 Ca 0.08 0.55 -0.25 0.00 1.31 0.00 0.00 55.95 57.64 1j0k s SER 426 Cb 0.01 -0.85 -0.02 0.00 0.21 0.00 0.00 66.02 65.37 1j0k s SER 426 CO 0.05 -2.26 0.80 -0.13 0.41 0.00 0.00 173.24 172.12 1j0k s ARG 427 N -5.71 4.36 0.30 12.44 1.81 -1.07 -4.55 118.95 126.53 1j0k s ARG 427 Ca 0.67 1.00 0.04 0.00 -1.72 0.00 0.00 55.73 55.72 1j0k s ARG 427 Cb -0.08 -3.53 0.79 0.00 -0.45 0.00 0.00 34.95 31.68 1j0k s ARG 427 CO 0.51 -0.19 1.61 -0.84 -0.68 0.00 0.00 175.30 175.71 1j0k h ILE 428 N 5.03 0.17 -0.52 1.52 3.07 -1.88 0.76 117.51 125.66 1j0k h ILE 428 Ca -0.34 -0.04 -0.06 0.00 1.55 0.00 0.00 64.86 65.98 1j0k h ILE 428 Cb 1.16 0.05 -0.02 0.00 -0.27 0.00 0.00 36.82 37.74 1j0k h ILE 428 CO 0.80 0.02 0.10 0.25 -1.05 0.00 0.00 178.15 178.27 1j0k h LEU 429 N 0.11 0.77 -1.33 0.16 5.85 -1.92 0.18 115.31 119.12 1j0k h LEU 429 Ca 0.60 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 59.11 1j0k h LEU 429 Cb 1.28 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1j0k h LEU 429 CO -0.76 0.77 -0.28 0.74 -0.34 0.00 0.00 178.44 178.57 1j0k h THR 430 N 0.78 0.84 0.00 1.05 2.02 0.19 -0.85 112.91 116.95 1j0k h THR 430 Ca 0.17 -1.11 -0.18 0.00 0.77 0.00 0.00 66.41 66.05 1j0k h THR 430 Cb 0.33 1.67 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 1j0k h THR 430 CO 0.00 0.27 -0.86 0.58 0.37 0.00 0.00 175.52 175.88 1j0k h VAL 431 N 0.00 1.56 0.00 3.16 2.07 -0.15 -2.70 116.25 120.19 1j0k h VAL 431 Ca -0.00 -3.02 0.00 0.00 0.82 0.00 0.00 66.70 64.50 1j0k h VAL 431 Cb 0.65 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 1j0k h VAL 431 CO 0.04 0.85 0.00 0.00 0.02 0.00 0.00 177.57 178.47 1j0k n GLY 433 N 0.29 1.36 1.38 0.00 0.00 -1.02 -1.52 105.19 105.68 1j0k n GLY 433 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1j0k n GLY 433 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j0k n GLY 434 N -0.84 0.75 3.52 -0.02 0.00 -0.43 -5.03 105.19 103.15 1j0k n GLY 434 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1j0k n GLY 434 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j0k s ASP 435 N -2.60 6.25 0.27 1.61 -1.08 -0.57 -4.89 116.67 115.65 1j0k s ASP 435 Ca 0.00 -0.52 -0.01 0.00 -0.52 0.00 0.00 52.55 51.50 1j0k s ASP 435 Cb 0.00 -2.49 0.45 0.00 -1.46 0.00 0.00 42.92 39.43 1j0k s ASP 435 CO 0.00 -1.52 1.86 0.40 0.52 0.00 0.00 175.17 176.43 1j0k h ILE 436 N 6.03 1.02 -1.00 4.11 1.08 -1.92 -1.08 117.51 125.75 1j0k h ILE 436 Ca -0.27 -0.38 0.23 0.00 -0.39 0.00 0.00 64.86 64.05 1j0k h ILE 436 Cb 1.06 -0.17 -0.09 0.00 -3.07 0.00 0.00 36.82 34.55 1j0k h ILE 436 CO 1.19 0.20 0.64 0.03 -0.69 0.00 0.00 178.15 179.52 1j0k h ARG 437 N 1.10 0.48 -0.10 2.37 3.08 -1.96 -0.10 114.38 119.25 1j0k h ARG 437 Ca 0.45 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.37 1j0k h ARG 437 Cb 0.28 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1j0k h ARG 437 CO -0.21 0.32 -0.35 0.87 -1.07 0.00 0.00 179.97 179.53 1j0k h LYS 438 N 0.49 0.41 -0.85 0.04 1.57 -1.55 -3.05 116.57 113.64 1j0k h LYS 438 Ca 0.56 -0.31 0.08 0.00 -1.87 0.00 0.00 60.65 59.11 1j0k h LYS 438 Cb 1.27 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.58 1j0k h LYS 438 CO -0.29 0.94 0.55 0.28 -0.57 0.00 0.00 179.45 180.36 1j0k h VAL 439 N -0.03 1.00 -0.80 0.50 2.07 -1.05 0.28 116.25 118.23 1j0k h VAL 439 Ca -0.02 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.26 1j0k h VAL 439 Cb 0.98 0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 1j0k h VAL 439 CO 0.07 0.16 0.49 0.11 0.02 0.00 0.00 177.57 178.42 1j0k h LYS 440 N 0.88 0.87 -0.60 1.57 1.57 -1.00 -1.22 116.57 118.63 1j0k h LYS 440 Ca 0.38 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 59.01 1j0k h LYS 440 Cb 0.33 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1j0k h LYS 440 CO -0.15 0.57 0.01 -0.07 -0.57 0.00 0.00 179.45 179.24 1j0k h LEU 441 N 0.89 1.03 0.76 2.94 3.38 -0.88 -0.80 115.31 122.62 1j0k h LEU 441 Ca 0.35 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1j0k h LEU 441 Cb 0.16 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1j0k h LEU 441 CO -0.17 1.07 -0.46 -0.07 0.09 0.00 0.00 178.44 178.90 1j0k h LEU 442 N 0.96 -1.16 -0.87 1.67 3.38 -0.28 0.75 115.31 119.76 1j0k h LEU 442 Ca 0.17 0.06 0.18 0.00 0.09 0.00 0.00 57.88 58.38 1j0k h LEU 442 Cb 0.54 0.33 -0.11 0.00 0.09 0.00 0.00 40.66 41.52 1j0k h LEU 442 CO 0.03 -0.71 0.43 -0.26 0.09 0.00 0.00 178.44 178.01 1j0k h PHE 443 N -1.14 0.74 -0.10 1.13 -1.00 -1.25 0.50 116.94 115.82 1j0k h PHE 443 Ca -0.10 0.04 0.03 0.00 2.81 0.00 0.00 57.97 60.75 1j0k h PHE 443 Cb 0.92 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 40.25 1j0k h PHE 443 CO -0.10 0.10 -0.10 1.25 -1.61 0.00 0.00 178.31 177.85 1j0k h LEU 444 N 0.55 -0.31 -0.71 1.54 5.85 -0.36 0.25 115.31 122.12 1j0k h LEU 444 Ca 0.50 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 59.17 1j0k h LEU 444 Cb 0.82 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 1j0k h LEU 444 CO -0.42 -0.14 -0.26 0.15 -0.34 0.00 0.00 178.44 177.43 1j0k h PHE 445 N -0.13 0.81 0.13 1.25 3.57 0.84 -3.05 116.94 120.37 1j0k h PHE 445 Ca 0.07 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 1j0k h PHE 445 Cb 0.23 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1j0k h PHE 445 CO -0.21 0.90 -0.06 0.37 -2.23 0.00 0.00 178.31 177.07 1j0k h GLN 446 N 0.61 -0.17 -0.02 1.11 4.15 0.51 -2.79 115.11 118.51 1j0k h GLN 446 Ca 0.08 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1j0k h GLN 446 Cb 0.76 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.49 1j0k h GLN 446 CO 0.06 -0.04 0.00 1.28 -1.93 0.00 0.00 178.83 178.20 1j0k n LEU 447 N -5.13 0.02 0.00 -2.39 4.77 0.83 -2.74 117.00 112.37 1j0k n LEU 447 Ca -0.08 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1j0k n LEU 447 Cb 0.13 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1j0k n LEU 447 CO 0.34 0.00 0.23 0.35 -1.33 0.00 0.00 177.39 176.98 1j0k n THR 448 N -0.49 0.15 -3.36 -5.08 -2.24 -1.14 -4.59 114.28 97.53 1j0k n THR 448 Ca 0.00 -0.42 -0.38 0.00 -2.27 0.00 0.00 64.05 60.98 1j0k n THR 448 Cb 0.00 1.17 -0.06 0.00 -2.10 0.00 0.00 70.33 69.34 1j0k n THR 448 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1j0k s PHE 449 N -0.15 3.70 0.22 4.78 5.36 -1.07 -4.69 117.98 126.15 1j0k s PHE 449 Ca 0.00 1.08 -0.31 0.00 -0.96 0.00 0.00 56.93 56.74 1j0k s PHE 449 Cb 0.00 -2.44 -0.11 0.00 -0.34 0.00 0.00 43.02 40.12 1j0k s PHE 449 CO 0.00 0.50 1.65 0.99 -1.46 0.00 0.00 175.22 176.89 1j0k s THR 450 N -0.64 2.18 -4.39 0.12 2.01 -1.21 -4.75 115.64 108.96 1j0k s THR 450 Ca 0.27 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.40 1j0k s THR 450 Cb -0.17 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.25 1j0k s THR 450 CO 0.15 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.70 1j0k n GLY 451 N 3.38 0.92 3.11 4.40 0.00 -0.99 -4.76 105.19 111.26 1j0k n GLY 451 Ca 0.13 -1.94 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 1j0k n GLY 451 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j0k s SER 452 N -4.00 5.33 0.64 1.61 0.15 0.39 -4.75 113.70 113.07 1j0k s SER 452 Ca 0.00 -2.81 -0.18 0.00 0.70 0.00 0.00 55.95 53.66 1j0k s SER 452 Cb 0.00 -1.88 -0.01 0.00 -1.71 0.00 0.00 66.02 62.42 1j0k s SER 452 CO 0.00 -0.39 1.24 -2.84 1.20 0.00 0.00 173.24 172.46 1j0k s PRO 453 N -0.00 2.64 -0.00 5.44 0.02 -1.26 -1.92 135.00 139.91 1j0k s PRO 453 Ca 0.17 1.92 0.01 0.00 0.02 0.00 0.00 61.00 63.11 1j0k s PRO 453 Cb -0.20 -1.87 -0.00 0.00 0.02 0.00 0.00 34.50 32.45 1j0k s PRO 453 CO -0.04 -1.49 -0.04 0.00 -0.33 0.00 0.00 177.00 175.10 1j0k s ILE 455 N -0.05 2.90 0.13 0.00 1.01 0.10 -4.36 121.20 120.93 1j0k s ILE 455 Ca 0.01 -0.71 -0.30 0.00 0.00 0.00 0.00 60.65 59.65 1j0k s ILE 455 Cb -0.02 -2.21 -0.06 0.00 0.01 0.00 0.00 42.46 40.18 1j0k s ILE 455 CO -0.00 0.53 1.03 -0.47 0.00 0.00 0.00 174.94 176.03 1j0k s TYR 456 N 0.43 3.69 0.01 3.97 5.04 -1.26 -1.14 117.35 128.09 1j0k s TYR 456 Ca -0.11 1.68 -0.37 0.00 -2.44 0.00 0.00 57.07 55.83 1j0k s TYR 456 Cb -0.16 -3.17 -0.16 0.00 0.35 0.00 0.00 41.96 38.82 1j0k s TYR 456 CO 0.05 -0.22 1.48 2.48 -1.34 0.00 0.00 175.55 178.00 1j0k n TYR 457 N 2.78 1.76 0.00 4.97 4.11 -1.06 -1.36 117.16 128.36 1j0k n TYR 457 Ca 0.03 0.54 0.00 0.00 -0.00 0.00 0.00 57.90 58.47 1j0k n TYR 457 Cb 0.48 -2.40 0.00 0.00 -0.00 0.00 0.00 39.34 37.42 1j0k n TYR 457 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1j0k n GLY 458 N 3.07 1.75 0.14 -7.48 0.00 -1.26 -4.86 105.19 96.55 1j0k n GLY 458 Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.35 1j0k n GLY 458 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1j0k h ASP 459 N 0.00 0.00 0.87 1.61 3.32 -1.54 0.66 116.42 121.34 1j0k h ASP 459 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1j0k h ASP 459 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1j0k h ASP 459 CO 0.00 0.00 -0.61 -1.84 -1.72 0.00 0.00 179.24 175.07 1j0k n GLU 460 N -2.39 0.29 -0.05 3.56 0.00 -1.26 -3.81 120.64 116.98 1j0k n GLU 460 Ca 0.03 0.09 0.06 0.00 0.00 0.00 0.00 57.16 57.34 1j0k n GLU 460 Cb 0.33 -1.68 0.08 0.00 0.00 0.00 0.00 31.44 30.16 1j0k n GLU 460 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 1j0k n ILE 461 N -2.10 0.27 -0.29 3.84 -5.35 -0.99 -2.52 119.36 112.22 1j0k n ILE 461 Ca 0.03 -0.63 0.00 0.00 -0.27 0.00 0.00 62.75 61.88 1j0k n ILE 461 Cb 0.44 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.38 1j0k n ILE 461 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j0k n GLY 462 N 0.61 0.82 3.72 3.28 0.00 -0.92 -0.09 105.19 112.62 1j0k n GLY 462 Ca 0.08 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 1j0k n GLY 462 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1j0k n MET 463 N -2.29 1.00 -4.22 1.61 2.81 0.18 -4.92 117.12 111.28 1j0k n MET 463 Ca 0.00 0.40 -0.13 0.00 -1.81 0.00 0.00 57.70 56.16 1j0k n MET 463 Cb 0.00 -2.53 -0.10 0.00 -0.71 0.00 0.00 33.22 29.88 1j0k n MET 463 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1j0k s THR 464 N -1.48 0.61 0.00 2.03 -4.23 -1.26 -4.55 115.64 106.77 1j0k s THR 464 Ca 0.82 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 1j0k s THR 464 Cb -0.37 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.41 1j0k s THR 464 CO 0.41 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 1j0k n GLY 465 N -0.20 2.11 0.00 3.99 0.00 -1.26 -4.92 105.19 104.91 1j0k n GLY 465 Ca -0.07 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1j0k n GLY 465 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j0k n GLY 466 N -1.07 1.12 3.90 -0.02 0.00 -1.26 -2.61 105.19 105.25 1j0k n GLY 466 Ca 0.00 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 1j0k n GLY 466 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j0k s ASN 467 N -1.00 6.49 0.00 1.61 3.84 -1.26 -2.24 114.94 122.37 1j0k s ASN 467 Ca 0.00 0.72 0.00 0.00 0.21 0.00 0.00 52.86 53.79 1j0k s ASN 467 Cb 0.00 -2.14 0.00 0.00 -0.55 0.00 0.00 41.25 38.56 1j0k s ASN 467 CO 0.00 -0.12 0.00 -0.67 -2.79 0.00 0.00 177.10 173.52 1j0k n ASP 468 N -0.60 0.00 -0.11 -4.21 4.64 -1.26 -2.51 116.55 112.50 1j0k n ASP 468 Ca -0.01 0.00 0.14 0.00 -1.38 0.00 0.00 54.79 53.53 1j0k n ASP 468 Cb 0.53 0.00 0.55 0.00 -1.04 0.00 0.00 41.12 41.16 1j0k n ASP 468 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1j0k n PRO 469 N 0.00 0.59 -0.31 -0.67 -0.04 -1.26 -4.88 135.00 128.44 1j0k n PRO 469 Ca 0.00 -0.23 0.24 0.00 -0.04 0.00 0.00 63.50 63.48 1j0k n PRO 469 Cb 0.00 -1.50 0.55 0.00 -0.04 0.00 0.00 33.50 32.52 1j0k n PRO 469 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1j0k h GLU 470 N 0.56 0.31 0.00 0.54 4.81 -1.71 0.40 114.58 119.49 1j0k h GLU 470 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1j0k h GLU 470 Cb 0.40 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1j0k h GLU 470 CO 0.00 0.21 0.00 0.00 -0.73 0.00 0.00 179.01 178.49 1j0k n ARG 472 N -0.82 2.49 -1.16 0.00 1.74 0.14 -4.89 116.66 114.16 1j0k n ARG 472 Ca 0.12 -3.43 -0.30 0.00 -0.77 0.00 0.00 57.85 53.47 1j0k n ARG 472 Cb 0.06 -2.07 0.12 0.00 -1.02 0.00 0.00 32.46 29.55 1j0k n ARG 472 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1j0k s LYS 473 N -3.47 1.58 0.56 5.56 1.02 -1.24 -4.80 119.74 118.95 1j0k s LYS 473 Ca 0.52 1.03 -0.21 0.00 0.02 0.00 0.00 55.97 57.33 1j0k s LYS 473 Cb 0.44 -1.83 -0.04 0.00 -0.52 0.00 0.00 37.83 35.88 1j0k s LYS 473 CO 0.02 -2.07 1.31 0.00 -0.92 0.00 0.00 175.35 173.68 1j0k n MET 475 N -1.18 0.73 -3.61 0.00 1.56 0.53 -4.91 117.12 110.23 1j0k n MET 475 Ca 0.11 0.30 -0.38 0.00 -0.27 0.00 0.00 57.70 57.47 1j0k n MET 475 Cb 0.46 -2.26 -0.11 0.00 2.15 0.00 0.00 33.22 33.47 1j0k n MET 475 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 1j0k s VAL 476 N -1.65 5.22 -0.38 1.12 1.01 -1.26 -4.91 120.40 119.55 1j0k s VAL 476 Ca 0.76 0.14 0.10 0.00 0.00 0.00 0.00 61.98 62.97 1j0k s VAL 476 Cb -0.37 -3.48 -0.11 0.00 0.00 0.00 0.00 36.38 32.42 1j0k s VAL 476 CO 0.47 0.27 0.38 0.79 0.00 0.00 0.00 175.10 177.01 1j0k n TRP 477 N 4.97 0.00 -2.75 5.22 7.02 -1.26 -4.88 117.44 125.76 1j0k n TRP 477 Ca -0.14 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.92 1j0k n TRP 477 Cb 0.52 -0.04 -0.03 0.00 -2.42 0.00 0.00 31.31 29.34 1j0k n TRP 477 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1j0k s ASP 478 N -2.12 7.17 0.27 -0.99 2.15 -1.26 -4.94 116.67 116.93 1j0k s ASP 478 Ca 0.02 1.43 -0.01 0.00 0.43 0.00 0.00 52.55 54.42 1j0k s ASP 478 Cb 0.07 -2.53 0.46 0.00 -0.30 0.00 0.00 42.92 40.63 1j0k s ASP 478 CO 0.40 -0.42 1.85 -0.65 -0.17 0.00 0.00 175.17 176.18 1j0k h PRO 479 N 7.14 1.00 0.00 4.34 0.11 -1.93 -1.46 132.00 141.20 1j0k h PRO 479 Ca -0.31 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1j0k h PRO 479 Cb 1.14 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1j0k h PRO 479 CO 0.85 0.66 0.06 -1.33 -0.21 0.00 0.00 178.00 178.03 1j0k n MET 480 N -4.59 0.01 -0.06 1.05 2.81 -1.26 -1.81 117.12 113.26 1j0k n MET 480 Ca 0.16 0.45 -0.07 0.00 -1.81 0.00 0.00 57.70 56.44 1j0k n MET 480 Cb 0.27 -1.59 -0.07 0.00 -0.71 0.00 0.00 33.22 31.12 1j0k n MET 480 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1j0k n GLN 481 N -1.49 1.30 -2.65 0.03 3.00 -0.58 -4.95 117.38 112.04 1j0k n GLN 481 Ca -0.00 0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.60 1j0k n GLN 481 Cb 0.06 -1.25 -0.03 0.00 0.00 0.00 0.00 30.24 29.02 1j0k n GLN 481 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 1j0k s GLN 482 N -2.25 3.43 -0.47 -1.09 -2.07 -0.75 -4.92 119.66 111.53 1j0k s GLN 482 Ca -0.11 0.05 -0.34 0.00 -1.82 0.00 0.00 55.36 53.14 1j0k s GLN 482 Cb 0.04 -4.05 -0.13 0.00 -1.09 0.00 0.00 33.01 27.78 1j0k s GLN 482 CO 0.35 -1.69 2.30 -1.71 -1.32 0.00 0.00 175.29 173.21 1j0k n ASN 483 N 8.30 1.81 0.16 12.60 2.85 0.88 -4.84 115.26 137.01 1j0k n ASN 483 Ca 0.06 0.25 0.03 0.00 -0.11 0.00 0.00 54.58 54.81 1j0k n ASN 483 Cb 0.49 -1.24 0.20 0.00 1.24 0.00 0.00 39.78 40.47 1j0k n ASN 483 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1j0k h LYS 484 N 13.22 0.00 -0.58 1.20 1.63 -1.88 -3.09 116.57 127.07 1j0k h LYS 484 Ca -0.22 0.00 0.10 0.00 -0.85 0.00 0.00 60.65 59.68 1j0k h LYS 484 Cb 1.32 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.91 1j0k h LYS 484 CO 1.10 0.51 0.39 1.49 -3.45 0.00 0.00 179.45 179.48 1j0k h GLU 485 N 0.00 0.35 0.01 1.90 4.81 -1.95 -1.46 114.58 118.24 1j0k h GLU 485 Ca -0.01 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1j0k h GLU 485 Cb 1.12 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1j0k h GLU 485 CO 0.07 0.23 -0.00 -0.07 -0.73 0.00 0.00 179.01 178.51 1j0k h LEU 486 N 0.36 -0.01 -0.21 1.64 3.38 -1.80 -1.43 115.31 117.24 1j0k h LEU 486 Ca 0.27 -0.64 0.04 0.00 0.09 0.00 0.00 57.88 57.63 1j0k h LEU 486 Cb 0.57 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 1j0k h LEU 486 CO -0.07 0.64 -0.53 -0.74 0.09 0.00 0.00 178.44 177.83 1j0k h HIS 487 N -0.66 -1.60 -0.63 1.13 2.76 -1.07 0.76 115.15 115.84 1j0k h HIS 487 Ca -0.00 0.07 0.04 0.00 -2.20 0.00 0.00 60.37 58.27 1j0k h HIS 487 Cb 0.65 0.73 -0.04 0.00 1.55 0.00 0.00 27.41 30.30 1j0k h HIS 487 CO 0.15 -0.53 0.42 1.96 -1.30 0.00 0.00 177.93 178.63 1j0k h GLN 488 N -0.52 0.71 0.50 5.26 1.08 -1.38 0.21 115.11 120.97 1j0k h GLN 488 Ca 0.05 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1j0k h GLN 488 Cb 0.66 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1j0k h GLN 488 CO -0.48 0.47 -0.24 1.25 -0.95 0.00 0.00 178.83 178.88 1j0k h HIS 489 N 0.73 -0.62 0.45 2.96 2.76 0.65 0.17 115.15 122.24 1j0k h HIS 489 Ca 0.25 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 1j0k h HIS 489 Cb 0.10 0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 1j0k h HIS 489 CO -0.00 -0.36 -0.33 0.28 -1.30 0.00 0.00 177.93 176.22 1j0k h VAL 490 N -0.73 0.32 -0.80 5.26 2.07 0.87 0.55 116.25 123.78 1j0k h VAL 490 Ca -0.07 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.63 1j0k h VAL 490 Cb 0.54 0.32 -0.11 0.00 -1.52 0.00 0.00 31.29 30.52 1j0k h VAL 490 CO 0.11 0.00 0.28 0.50 0.02 0.00 0.00 177.57 178.48 1j0k h LYS 491 N -0.76 0.34 0.04 1.57 3.64 -0.59 0.29 116.57 121.09 1j0k h LYS 491 Ca -0.04 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1j0k h LYS 491 Cb 0.65 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1j0k h LYS 491 CO 0.01 0.22 -0.02 0.37 -2.27 0.00 0.00 179.45 177.76 1j0k h GLN 492 N 0.35 -0.06 -0.70 1.90 4.15 -0.25 -2.50 115.11 118.00 1j0k h GLN 492 Ca 0.47 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.83 1j0k h GLN 492 Cb 0.83 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.50 1j0k h GLN 492 CO -0.51 0.10 0.17 -0.07 -1.93 0.00 0.00 178.83 176.59 1j0k h LEU 493 N -0.21 1.07 -1.63 -2.39 3.38 0.70 -2.33 115.31 113.90 1j0k h LEU 493 Ca -0.01 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.77 1j0k h LEU 493 Cb 0.18 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1j0k h LEU 493 CO 0.01 1.03 0.31 0.40 0.09 0.00 0.00 178.44 180.27 1j0k h ILE 494 N 1.06 1.02 0.37 1.22 2.04 -0.42 -0.64 117.51 122.17 1j0k h ILE 494 Ca 0.22 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 1j0k h ILE 494 Cb 0.38 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1j0k h ILE 494 CO 0.00 0.09 -0.18 0.00 0.00 0.00 0.00 178.15 178.06 1j0k h ALA 495 N 1.74 -0.50 -0.65 1.87 0.00 -0.97 -2.56 119.26 118.20 1j0k h ALA 495 Ca 0.19 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.06 1j0k h ALA 495 Cb 0.16 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.05 1j0k h ALA 495 CO -0.05 -0.66 0.11 -0.07 0.00 0.00 0.00 179.25 178.58 1j0k h LEU 496 N -0.74 -0.07 -0.39 0.00 3.38 -0.95 -1.36 115.31 115.19 1j0k h LEU 496 Ca -0.05 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.11 1j0k h LEU 496 Cb 0.51 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 1j0k h LEU 496 CO 0.08 -0.04 0.07 -0.09 0.09 0.00 0.00 178.44 178.55 1j0k h ARG 497 N 0.23 0.19 -0.28 1.13 2.43 -1.05 0.85 114.38 117.86 1j0k h ARG 497 Ca 0.35 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.50 1j0k h ARG 497 Cb 0.56 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1j0k h ARG 497 CO -0.47 0.12 0.13 0.87 -1.51 0.00 0.00 179.97 179.11 1j0k h LYS 498 N 0.19 0.39 -0.01 0.20 1.57 -0.90 -2.75 116.57 115.27 1j0k h LYS 498 Ca 0.19 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.75 1j0k h LYS 498 Cb 0.23 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1j0k h LYS 498 CO -0.25 0.31 -0.80 1.96 -0.57 0.00 0.00 179.45 180.10 1j0k h GLN 499 N 0.39 0.12 -4.59 3.15 4.20 -0.03 -3.43 115.11 114.93 1j0k h GLN 499 Ca 0.10 -0.12 -0.68 0.00 0.06 0.00 0.00 58.65 58.01 1j0k h GLN 499 Cb 0.06 0.03 -0.37 0.00 0.30 0.00 0.00 27.48 27.50 1j0k h GLN 499 CO -0.01 0.85 -0.63 0.71 -0.67 0.00 0.00 178.83 179.08 1j0k s TYR 500 N -3.29 3.68 0.25 2.96 1.51 0.12 -4.97 117.35 117.60 1j0k s TYR 500 Ca -0.02 -2.71 -0.05 0.00 -1.01 0.00 0.00 57.07 53.28 1j0k s TYR 500 Cb 0.11 -3.08 0.47 0.00 -0.11 0.00 0.00 41.96 39.35 1j0k s TYR 500 CO 0.81 -0.96 1.68 0.00 -1.11 0.00 0.00 175.55 175.97 1j0k h ARG 501 N 7.83 0.26 -0.96 -0.62 3.08 -1.84 0.25 114.38 122.38 1j0k h ARG 501 Ca -0.08 -0.02 0.24 0.00 0.07 0.00 0.00 59.98 60.19 1j0k h ARG 501 Cb 1.03 -0.06 -0.13 0.00 0.08 0.00 0.00 29.97 30.90 1j0k h ARG 501 CO 0.61 0.17 0.50 0.66 -1.07 0.00 0.00 179.97 180.84 1j0k h SER 502 N 0.26 0.50 -0.08 7.04 4.64 -1.89 0.85 113.55 124.88 1j0k h SER 502 Ca 0.42 0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.88 1j0k h SER 502 Cb 0.72 0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1j0k h SER 502 CO -0.52 0.03 0.03 -0.07 -0.87 0.00 0.00 176.83 175.43 1j0k h LEU 503 N 0.47 0.12 -0.14 5.97 3.38 -0.79 0.14 115.31 124.46 1j0k h LEU 503 Ca 0.62 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.34 1j0k h LEU 503 Cb 1.21 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1j0k h LEU 503 CO -0.52 0.28 -0.11 0.03 0.09 0.00 0.00 178.44 178.21 1j0k h ARG 504 N -0.05 0.33 0.00 1.13 3.08 -0.33 -3.21 114.38 115.33 1j0k h ARG 504 Ca 0.03 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1j0k h ARG 504 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1j0k h ARG 504 CO -0.00 0.69 0.00 0.54 -1.07 0.00 0.00 179.97 180.13 1j0k n ARG 505 N -4.60 -0.52 -1.35 0.04 1.74 0.27 -2.33 116.66 109.90 1j0k n ARG 505 Ca -0.06 -0.36 -0.30 0.00 -0.77 0.00 0.00 57.85 56.36 1j0k n ARG 505 Cb 0.33 -0.85 0.23 0.00 -1.02 0.00 0.00 32.46 31.15 1j0k n ARG 505 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1j0k s GLY 506 N -0.03 1.65 0.41 -0.13 0.00 0.48 -4.85 107.32 104.86 1j0k s GLY 506 Ca 0.00 -1.07 -0.06 0.00 0.00 0.00 0.00 44.72 43.59 1j0k s GLY 506 CO 0.00 -0.21 0.72 -0.54 0.00 0.00 0.00 173.10 173.07 1j0k s GLU 507 N -5.60 3.61 -0.03 2.90 2.02 0.49 -4.66 118.70 117.44 1j0k s GLU 507 Ca 0.72 0.18 0.06 0.00 0.02 0.00 0.00 54.97 55.96 1j0k s GLU 507 Cb -0.07 -2.46 -0.01 0.00 0.10 0.00 0.00 34.13 31.69 1j0k s GLU 507 CO 0.55 -0.05 -0.21 -1.50 0.02 0.00 0.00 175.26 174.07 1j0k s ILE 508 N -2.49 1.66 -0.02 -1.63 2.07 -1.26 0.23 121.20 119.77 1j0k s ILE 508 Ca 0.47 -0.89 -0.05 0.00 -1.41 0.00 0.00 60.65 58.78 1j0k s ILE 508 Cb -0.10 -1.39 0.00 0.00 0.13 0.00 0.00 42.46 41.10 1j0k s ILE 508 CO 0.38 0.47 0.10 -0.94 -1.91 0.00 0.00 174.94 173.04 1j0k s SER 509 N -0.36 -0.02 -0.22 4.50 1.04 -0.99 -4.98 113.70 112.66 1j0k s SER 509 Ca 0.05 -0.01 -0.09 0.00 0.48 0.00 0.00 55.95 56.38 1j0k s SER 509 Cb -0.09 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 1j0k s SER 509 CO 0.00 -0.18 0.11 -0.36 0.98 0.00 0.00 173.24 173.79 1j0k s PHE 510 N -0.62 3.25 0.02 5.02 0.40 -1.26 -1.88 117.98 122.90 1j0k s PHE 510 Ca -0.07 0.05 -0.18 0.00 -0.60 0.00 0.00 56.93 56.13 1j0k s PHE 510 Cb -0.04 -2.20 -0.06 0.00 0.51 0.00 0.00 43.02 41.23 1j0k s PHE 510 CO 0.00 0.01 0.51 -0.51 0.70 0.00 0.00 175.22 175.93 1j0k s LEU 511 N 0.94 4.47 -0.42 -0.37 1.02 0.04 -4.98 118.68 119.37 1j0k s LEU 511 Ca 0.06 1.10 -0.29 0.00 0.02 0.00 0.00 54.13 55.01 1j0k s LEU 511 Cb -0.13 -2.77 0.02 0.00 0.02 0.00 0.00 46.19 43.33 1j0k s LEU 511 CO 0.03 0.24 1.15 -1.00 0.02 0.00 0.00 176.35 176.79 1j0k s HIS 512 N -0.76 2.87 0.88 0.29 3.76 -1.26 -4.26 115.29 116.80 1j0k s HIS 512 Ca 0.27 0.85 -0.12 0.00 -0.15 0.00 0.00 55.06 55.91 1j0k s HIS 512 Cb -0.18 -4.20 0.16 0.00 1.11 0.00 0.00 32.58 29.47 1j0k s HIS 512 CO 0.16 -1.21 1.23 0.00 -0.85 0.00 0.00 174.74 174.06 1j0k s ALA 513 N 4.31 2.60 -0.90 -1.40 0.00 -1.26 -4.94 121.76 120.16 1j0k s ALA 513 Ca 0.49 -1.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 1j0k s ALA 513 Cb -0.09 -2.68 0.17 0.00 0.00 0.00 0.00 23.12 20.52 1j0k s ALA 513 CO 0.27 -2.07 2.36 -3.47 0.00 0.00 0.00 175.76 172.84 1j0k n ASP 514 N -3.49 7.32 0.00 0.00 4.64 -1.26 -4.37 116.55 119.40 1j0k n ASP 514 Ca 0.13 -3.38 0.00 0.00 -1.38 0.00 0.00 54.79 50.17 1j0k n ASP 514 Cb 0.60 -1.24 0.00 0.00 -1.04 0.00 0.00 41.12 39.44 1j0k n ASP 514 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1j0k n ASP 515 N 0.75 0.00 -3.38 1.67 2.03 -1.26 -5.05 116.55 111.31 1j0k n ASP 515 Ca 0.54 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 55.46 1j0k n ASP 515 Cb 0.35 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.73 1j0k n ASP 515 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1j0k n GLU 516 N 0.00 4.24 0.00 -0.67 1.02 -1.26 -3.23 120.64 120.73 1j0k n GLU 516 Ca 0.00 -3.03 0.00 0.00 -0.02 0.00 0.00 57.16 54.11 1j0k n GLU 516 Cb 0.00 -2.66 0.00 0.00 -0.02 0.00 0.00 31.44 28.76 1j0k n GLU 516 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1j0k n MET 517 N 2.24 0.61 0.00 3.49 2.81 -1.26 -3.70 117.12 121.31 1j0k n MET 517 Ca 0.67 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.56 1j0k n MET 517 Cb 0.26 -0.05 0.00 0.00 -0.71 0.00 0.00 33.22 32.72 1j0k n MET 517 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1j0k n ASN 518 N 0.00 0.00 -4.50 7.83 3.02 -1.23 -4.55 115.26 115.84 1j0k n ASN 518 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 1j0k n ASN 518 Cb 0.00 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.05 1j0k n ASN 518 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1j0k s TYR 519 N -0.31 3.05 -0.12 3.10 4.12 -1.20 -0.19 117.35 125.80 1j0k s TYR 519 Ca 0.00 -0.31 0.02 0.00 0.02 0.00 0.00 57.07 56.80 1j0k s TYR 519 Cb 0.00 -2.00 -0.01 0.00 -1.52 0.00 0.00 41.96 38.43 1j0k s TYR 519 CO 0.00 -0.07 -0.18 -1.17 0.02 0.00 0.00 175.55 174.15 1j0k s LEU 520 N 0.54 2.43 -0.06 -1.29 2.96 -0.65 -4.71 118.68 117.90 1j0k s LEU 520 Ca -0.02 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 1j0k s LEU 520 Cb -0.14 -1.52 0.02 0.00 0.50 0.00 0.00 46.19 45.04 1j0k s LEU 520 CO 0.02 0.15 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.49 1j0k s ILE 521 N 0.40 0.88 0.21 6.68 1.01 -1.26 -0.63 121.20 128.48 1j0k s ILE 521 Ca -0.14 -0.33 -0.16 0.00 0.00 0.00 0.00 60.65 60.03 1j0k s ILE 521 Cb -0.17 -0.83 0.02 0.00 0.01 0.00 0.00 42.46 41.49 1j0k s ILE 521 CO 0.06 0.30 0.51 -0.72 0.00 0.00 0.00 174.94 175.09 1j0k s TYR 522 N 0.77 0.01 0.05 3.97 -0.85 -0.55 -0.78 117.35 119.96 1j0k s TYR 522 Ca -0.13 -0.36 -0.02 0.00 -0.52 0.00 0.00 57.07 56.04 1j0k s TYR 522 Cb -0.15 0.34 -0.04 0.00 0.38 0.00 0.00 41.96 42.49 1j0k s TYR 522 CO 0.02 -0.94 -0.01 -1.59 -1.52 0.00 0.00 175.55 171.51 1j0k s LYS 523 N -3.91 0.61 -0.08 -3.49 -2.85 -0.79 0.07 119.74 109.31 1j0k s LYS 523 Ca 0.12 -1.18 0.04 0.00 -1.00 0.00 0.00 55.97 53.95 1j0k s LYS 523 Cb -0.01 0.22 -0.01 0.00 -2.06 0.00 0.00 37.83 35.96 1j0k s LYS 523 CO 0.00 -0.12 -0.19 0.15 0.10 0.00 0.00 175.35 175.29 1j0k s LYS 524 N -3.82 2.80 -0.06 1.78 -0.14 0.72 -2.35 119.74 118.68 1j0k s LYS 524 Ca 0.06 -0.80 -0.02 0.00 -1.36 0.00 0.00 55.97 53.85 1j0k s LYS 524 Cb 0.07 -2.35 0.04 0.00 -1.68 0.00 0.00 37.83 33.91 1j0k s LYS 524 CO -0.10 0.38 0.11 0.99 -0.76 0.00 0.00 175.35 175.97 1j0k s THR 525 N -0.12 -0.13 -0.71 2.17 2.01 0.14 -1.12 115.64 117.87 1j0k s THR 525 Ca -0.03 0.29 0.16 0.00 0.31 0.00 0.00 61.69 62.42 1j0k s THR 525 Cb -0.14 -0.21 0.64 0.00 0.01 0.00 0.00 72.50 72.80 1j0k s THR 525 CO 0.04 0.12 1.55 -0.90 -0.69 0.00 0.00 174.62 174.74 1j0k n ASP 526 N 4.76 4.49 0.00 3.53 3.85 -1.18 0.19 116.55 132.19 1j0k n ASP 526 Ca -0.15 -2.61 0.00 0.00 -0.71 0.00 0.00 54.79 51.31 1j0k n ASP 526 Cb 0.50 -0.54 0.00 0.00 -1.35 0.00 0.00 41.12 39.73 1j0k n ASP 526 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1j0k n GLY 527 N 0.56 2.79 0.09 6.12 0.00 -1.26 -4.80 105.19 108.69 1j0k n GLY 527 Ca 0.23 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1j0k n GLY 527 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j0k n ASP 528 N 0.59 1.87 -4.70 1.61 10.43 -1.26 -5.02 116.55 120.08 1j0k n ASP 528 Ca 0.00 0.47 -0.24 0.00 2.57 0.00 0.00 54.79 57.59 1j0k n ASP 528 Cb 0.00 -0.84 -0.07 0.00 1.84 0.00 0.00 41.12 42.04 1j0k n ASP 528 CO 0.00 0.00 0.00 -1.83 -1.07 0.00 0.00 177.20 174.30 1j0k s GLU 529 N -2.49 2.23 -0.07 -1.24 -1.05 -1.26 -5.08 118.70 109.73 1j0k s GLU 529 Ca -0.24 -1.72 -0.03 0.00 -0.15 0.00 0.00 54.97 52.83 1j0k s GLU 529 Cb 0.05 -2.03 0.04 0.00 -0.44 0.00 0.00 34.13 31.75 1j0k s GLU 529 CO 0.38 0.04 0.15 0.99 0.95 0.00 0.00 175.26 177.76 1j0k s THR 530 N -2.52 -0.16 -0.01 1.83 2.01 -1.26 -3.09 115.64 112.43 1j0k s THR 530 Ca 0.38 0.28 0.05 0.00 0.31 0.00 0.00 61.69 62.71 1j0k s THR 530 Cb 0.01 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 72.23 1j0k s THR 530 CO 0.22 0.12 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.43 1j0k s VAL 531 N 1.79 3.03 -0.09 3.82 1.01 -0.28 -0.08 120.40 129.61 1j0k s VAL 531 Ca -0.02 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1j0k s VAL 531 Cb -0.12 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 1j0k s VAL 531 CO -0.06 0.48 -0.12 -0.22 0.00 0.00 0.00 175.10 175.19 1j0k s LEU 532 N -1.05 2.83 -0.07 3.92 2.96 0.37 -0.20 118.68 127.43 1j0k s LEU 532 Ca 0.13 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 1j0k s LEU 532 Cb -0.11 -1.61 0.00 0.00 0.50 0.00 0.00 46.19 44.97 1j0k s LEU 532 CO 0.03 0.26 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.45 1j0k s VAL 533 N -0.23 1.61 -0.12 1.68 1.01 0.11 0.09 120.40 124.56 1j0k s VAL 533 Ca 0.01 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1j0k s VAL 533 Cb -0.13 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.86 1j0k s VAL 533 CO 0.03 0.46 -0.10 -0.63 0.00 0.00 0.00 175.10 174.85 1j0k s ILE 534 N 0.35 1.22 0.01 2.22 1.01 -0.77 -1.48 121.20 123.76 1j0k s ILE 534 Ca -0.13 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.17 1j0k s ILE 534 Cb -0.16 -1.18 -0.02 0.00 0.01 0.00 0.00 42.46 41.11 1j0k s ILE 534 CO 0.05 0.40 -0.25 -0.63 0.00 0.00 0.00 174.94 174.51 1j0k s ILE 535 N 1.47 2.21 -0.81 2.92 1.01 0.20 -2.04 121.20 126.15 1j0k s ILE 535 Ca 0.02 -1.20 -0.04 0.00 0.00 0.00 0.00 60.65 59.43 1j0k s ILE 535 Cb -0.13 -1.82 0.20 0.00 0.01 0.00 0.00 42.46 40.72 1j0k s ILE 535 CO -0.07 0.48 0.69 0.21 0.00 0.00 0.00 174.94 176.25 1j0k s ASN 536 N -0.92 5.89 -1.34 3.58 2.47 -0.38 -1.64 114.94 122.59 1j0k s ASN 536 Ca 0.11 -3.34 -0.15 0.00 0.42 0.00 0.00 52.86 49.90 1j0k s ASN 536 Cb -0.10 -1.94 0.01 0.00 -1.45 0.00 0.00 41.25 37.77 1j0k s ASN 536 CO 0.01 -0.29 2.17 -1.14 -3.72 0.00 0.00 177.10 174.13 1j0k n ARG 537 N 2.88 2.63 -3.52 0.43 0.63 0.73 -2.25 116.66 118.18 1j0k n ARG 537 Ca 0.16 -2.48 -0.13 0.00 -0.92 0.00 0.00 57.85 54.48 1j0k n ARG 537 Cb 0.38 -3.23 -0.04 0.00 0.45 0.00 0.00 32.46 30.02 1j0k n ARG 537 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1j0k s SER 538 N 3.52 -0.50 0.00 6.15 1.04 -1.26 -4.70 113.70 117.96 1j0k s SER 538 Ca 0.49 0.35 0.00 0.00 0.48 0.00 0.00 55.95 57.27 1j0k s SER 538 Cb 0.14 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1j0k s SER 538 CO -0.05 -0.59 0.69 -0.90 0.98 0.00 0.00 173.24 173.36 1j0k n ASP 539 N 0.39 1.82 -4.33 7.02 3.85 -1.26 -1.78 116.55 122.26 1j0k n ASP 539 Ca -0.14 -1.88 -0.17 0.00 -0.71 0.00 0.00 54.79 51.90 1j0k n ASP 539 Cb 0.60 -0.47 -0.10 0.00 -1.35 0.00 0.00 41.12 39.79 1j0k n ASP 539 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 1j0k s GLN 540 N -0.50 1.39 0.45 0.11 -0.21 -1.26 -4.79 119.66 114.86 1j0k s GLN 540 Ca 0.00 -1.74 -0.17 0.00 0.02 0.00 0.00 55.36 53.48 1j0k s GLN 540 Cb 0.00 -0.45 -0.09 0.00 1.00 0.00 0.00 33.01 33.47 1j0k s GLN 540 CO 0.00 -0.20 0.91 -1.59 -2.12 0.00 0.00 175.29 172.29 1j0k s LYS 541 N -3.95 4.01 -0.04 2.91 -2.85 -1.26 -3.24 119.74 115.31 1j0k s LYS 541 Ca 0.33 0.90 -0.12 0.00 -1.00 0.00 0.00 55.97 56.08 1j0k s LYS 541 Cb 0.07 -2.22 0.02 0.00 -2.06 0.00 0.00 37.83 33.64 1j0k s LYS 541 CO 0.11 -0.12 0.29 0.00 0.10 0.00 0.00 175.35 175.73 1j0k s ALA 542 N -2.38 -0.71 -0.45 0.59 0.00 -0.57 -4.97 121.76 113.26 1j0k s ALA 542 Ca 0.58 0.43 -0.11 0.00 0.00 0.00 0.00 51.96 52.87 1j0k s ALA 542 Cb -0.10 -0.10 0.09 0.00 0.00 0.00 0.00 23.12 23.01 1j0k s ALA 542 CO 0.24 -0.22 0.32 -0.51 0.00 0.00 0.00 175.76 175.60 1j0k s ASP 543 N -0.86 5.80 -0.17 0.00 -0.00 -1.26 -1.74 116.67 118.44 1j0k s ASP 543 Ca -0.09 -1.57 -0.08 0.00 -0.00 0.00 0.00 52.55 50.81 1j0k s ASP 543 Cb -0.05 -2.05 -0.04 0.00 -0.00 0.00 0.00 42.92 40.78 1j0k s ASP 543 CO 0.03 -0.62 0.10 -0.63 -0.00 0.00 0.00 175.17 174.05 1j0k s ILE 544 N 1.47 5.15 -0.26 0.77 1.01 0.14 -4.96 121.20 124.52 1j0k s ILE 544 Ca 0.04 0.09 -0.23 0.00 0.00 0.00 0.00 60.65 60.55 1j0k s ILE 544 Cb -0.24 -3.31 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 1j0k s ILE 544 CO 0.03 0.49 0.74 -2.84 0.00 0.00 0.00 174.94 173.36 1j0k s PRO 545 N 0.02 4.10 -0.28 2.79 0.02 -1.26 -0.43 135.00 139.96 1j0k s PRO 545 Ca 0.08 0.70 -0.29 0.00 0.02 0.00 0.00 61.00 61.51 1j0k s PRO 545 Cb -0.12 -3.67 0.01 0.00 0.02 0.00 0.00 34.50 30.75 1j0k s PRO 545 CO 0.00 -0.52 1.10 0.96 -0.33 0.00 0.00 177.00 178.21 1j0k s ILE 546 N 2.74 4.51 -1.25 2.83 -4.36 -1.21 -4.96 121.20 119.49 1j0k s ILE 546 Ca 0.31 1.77 -0.15 0.00 -0.26 0.00 0.00 60.65 62.32 1j0k s ILE 546 Cb -0.15 -4.32 0.13 0.00 1.25 0.00 0.00 42.46 39.36 1j0k s ILE 546 CO 0.09 -0.36 1.59 -0.81 0.24 0.00 0.00 174.94 175.69 1j0k n PRO 547 N 6.72 3.30 -4.10 0.37 -0.04 -1.26 -4.83 135.00 135.14 1j0k n PRO 547 Ca 0.12 -3.59 -0.14 0.00 -0.04 0.00 0.00 63.50 59.85 1j0k n PRO 547 Cb 0.46 -3.23 -0.12 0.00 -0.04 0.00 0.00 33.50 30.58 1j0k n PRO 547 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1j0k s LEU 548 N 2.59 2.19 0.29 1.53 1.02 -1.26 -5.10 118.68 119.94 1j0k s LEU 548 Ca 0.47 -0.43 -0.28 0.00 0.02 0.00 0.00 54.13 53.91 1j0k s LEU 548 Cb 0.01 -0.22 -0.09 0.00 0.02 0.00 0.00 46.19 45.90 1j0k s LEU 548 CO 0.03 -0.12 0.98 -1.81 0.02 0.00 0.00 176.35 175.45 1j0k s ASP 549 N -1.20 7.39 0.00 2.29 1.01 -1.26 -4.89 116.67 120.01 1j0k s ASP 549 Ca -0.06 1.98 0.24 0.00 0.71 0.00 0.00 52.55 55.42 1j0k s ASP 549 Cb -0.08 -2.60 0.33 0.00 1.01 0.00 0.00 42.92 41.58 1j0k s ASP 549 CO 0.00 -0.03 1.31 0.00 0.21 0.00 0.00 175.17 176.66 1j0k n ALA 550 N 0.98 3.01 -1.86 5.23 0.00 -1.26 -4.65 120.51 121.95 1j0k n ALA 550 Ca 0.00 -0.59 -0.39 0.00 0.00 0.00 0.00 53.44 52.46 1j0k n ALA 550 Cb 0.48 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 1j0k n ALA 550 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1j0k s ARG 551 N -2.27 2.70 -1.37 0.00 3.00 -1.26 -2.37 118.95 117.38 1j0k s ARG 551 Ca 0.25 1.15 0.00 0.00 0.00 0.00 0.00 55.73 57.13 1j0k s ARG 551 Cb 0.19 -4.39 0.00 0.00 0.00 0.00 0.00 34.95 30.75 1j0k s ARG 551 CO 0.45 -2.62 0.00 0.41 0.00 0.00 0.00 175.30 173.54 1j0k n GLY 552 N 5.72 0.03 3.56 -3.53 0.00 -1.26 -4.75 105.19 104.97 1j0k n GLY 552 Ca 0.26 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1j0k n GLY 552 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j0k s THR 553 N -2.74 4.61 0.01 2.61 2.01 -1.00 0.10 115.64 121.25 1j0k s THR 553 Ca 0.00 -0.09 0.07 0.00 0.31 0.00 0.00 61.69 61.98 1j0k s THR 553 Cb 0.00 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.39 1j0k s THR 553 CO 0.00 0.41 -0.22 0.26 -0.69 0.00 0.00 174.62 174.39 1j0k s TRP 554 N 0.82 1.91 0.04 4.92 0.52 -0.29 -2.15 118.94 124.72 1j0k s TRP 554 Ca 0.03 -0.37 0.08 0.00 0.02 0.00 0.00 56.10 55.86 1j0k s TRP 554 Cb -0.14 -1.19 -0.03 0.00 -1.15 0.00 0.00 33.47 30.97 1j0k s TRP 554 CO 0.02 0.03 -0.21 -0.51 0.02 0.00 0.00 176.95 176.31 1j0k s LEU 555 N -0.85 2.45 -0.13 2.99 1.43 -0.70 -0.51 118.68 123.37 1j0k s LEU 555 Ca 0.08 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1j0k s LEU 555 Cb -0.09 -1.43 0.02 0.00 0.03 0.00 0.00 46.19 44.72 1j0k s LEU 555 CO 0.01 0.26 -0.13 -0.69 0.23 0.00 0.00 176.35 176.03 1j0k s VAL 556 N -0.87 1.42 -0.29 -1.59 1.01 -0.54 -2.68 120.40 116.85 1j0k s VAL 556 Ca 0.13 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 1j0k s VAL 556 Cb -0.10 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.94 1j0k s VAL 556 CO 0.04 0.43 1.29 0.21 0.00 0.00 0.00 175.10 177.07 1j0k s ASN 557 N 1.35 6.69 0.00 3.32 3.84 -0.66 -1.12 114.94 128.36 1j0k s ASN 557 Ca 0.01 1.22 0.26 0.00 0.21 0.00 0.00 52.86 54.56 1j0k s ASN 557 Cb -0.13 -2.54 1.36 0.00 -0.55 0.00 0.00 41.25 39.39 1j0k s ASN 557 CO -0.07 -1.06 1.90 0.18 -2.79 0.00 0.00 177.10 175.26 1j0k n LEU 558 N 7.56 0.00 -0.12 3.21 4.77 -0.67 -0.75 117.00 131.00 1j0k n LEU 558 Ca 0.15 0.25 -0.22 0.00 -0.03 0.00 0.00 56.01 56.15 1j0k n LEU 558 Cb 0.47 -0.25 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 1j0k n LEU 558 CO 0.63 -0.03 -1.31 0.18 -1.33 0.00 0.00 177.39 175.52 1j0k n LEU 559 N -1.25 2.27 0.00 2.23 4.77 -1.26 -4.66 117.00 119.10 1j0k n LEU 559 Ca 0.13 0.12 0.11 0.00 -0.03 0.00 0.00 56.01 56.34 1j0k n LEU 559 Cb 0.19 -0.77 -0.11 0.00 -2.33 0.00 0.00 43.42 40.41 1j0k n LEU 559 CO 0.19 0.68 -0.32 0.35 -1.33 0.00 0.00 177.39 176.96 1j0k n THR 560 N -3.72 0.04 0.00 -5.08 -2.24 -1.25 -4.98 114.28 97.06 1j0k n THR 560 Ca -0.46 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1j0k n THR 560 Cb 0.89 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 1j0k n THR 560 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j0k n GLY 561 N 1.38 2.86 3.31 3.38 0.00 0.07 -5.01 105.19 111.18 1j0k n GLY 561 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1j0k n GLY 561 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1j0k n GLU 562 N -2.00 -0.49 -4.03 1.61 2.13 -1.25 -4.66 120.64 111.95 1j0k n GLU 562 Ca 0.00 -0.11 -0.10 0.00 0.66 0.00 0.00 57.16 57.61 1j0k n GLU 562 Cb 0.00 -1.67 -0.08 0.00 0.27 0.00 0.00 31.44 29.96 1j0k n GLU 562 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1j0k s ARG 563 N -3.31 1.20 0.00 5.31 3.52 -1.26 -1.65 118.95 122.75 1j0k s ARG 563 Ca 0.53 -1.30 0.00 0.00 -0.13 0.00 0.00 55.73 54.84 1j0k s ARG 563 Cb -0.18 0.36 0.00 0.00 -1.56 0.00 0.00 34.95 33.57 1j0k s ARG 563 CO 0.69 -0.43 0.00 1.97 -0.81 0.00 0.00 175.30 176.72 1j0k n PHE 564 N -0.23 0.00 -4.17 5.12 1.16 -1.09 -5.00 117.46 113.24 1j0k n PHE 564 Ca -0.05 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.40 1j0k n PHE 564 Cb 0.63 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.40 1j0k n PHE 564 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1j0k s ALA 565 N -2.00 1.07 -0.12 1.98 0.00 -1.26 -1.71 121.76 119.71 1j0k s ALA 565 Ca 0.00 -1.24 -0.21 0.00 0.00 0.00 0.00 51.96 50.51 1j0k s ALA 565 Cb 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 1j0k s ALA 565 CO 0.00 -0.11 0.60 0.00 0.00 0.00 0.00 175.76 176.26 1j0k s ALA 566 N -2.85 3.44 0.00 0.00 0.00 -0.91 -4.85 121.76 116.59 1j0k s ALA 566 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1j0k s ALA 566 Cb -0.00 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1j0k s ALA 566 CO -0.01 -0.20 0.00 0.39 0.00 0.00 0.00 175.76 175.94 1j0k n GLU 567 N 4.11 1.85 0.00 0.00 4.71 -1.26 -4.64 120.64 125.41 1j0k n GLU 567 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.12 1j0k n GLU 567 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.94 1j0k n GLU 567 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1j0k n ALA 568 N -3.00 1.97 -2.67 0.62 0.00 -1.26 -2.54 120.51 113.63 1j0k n ALA 568 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1j0k n ALA 568 Cb 0.00 -1.00 0.09 0.00 0.00 0.00 0.00 19.45 18.54 1j0k n ALA 568 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1j0k n GLU 569 N 0.46 0.23 -0.91 0.00 4.07 -1.26 -5.14 120.64 118.09 1j0k n GLU 569 Ca 0.00 -0.84 -0.36 0.00 -0.06 0.00 0.00 57.16 55.90 1j0k n GLU 569 Cb 0.22 -0.32 0.07 0.00 -0.06 0.00 0.00 31.44 31.35 1j0k n GLU 569 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 1j0k n THR 570 N 0.98 0.00 -2.66 6.31 5.66 -1.05 -5.01 114.28 118.51 1j0k n THR 570 Ca -0.01 -0.28 -0.08 0.00 -3.05 0.00 0.00 64.05 60.62 1j0k n THR 570 Cb 0.73 -0.22 0.04 0.00 -1.55 0.00 0.00 70.33 69.33 1j0k n THR 570 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1j0k n LEU 571 N 1.76 0.00 -3.66 1.09 7.99 -1.26 -4.91 117.00 118.01 1j0k n LEU 571 Ca 0.00 -0.90 -0.15 0.00 -0.01 0.00 0.00 56.01 54.95 1j0k n LEU 571 Cb 0.61 -0.22 -0.14 0.00 -0.11 0.00 0.00 43.42 43.57 1j0k n LEU 571 CO 0.50 -0.65 -0.18 0.00 -1.51 0.00 0.00 177.39 175.55 1j0k s THR 573 N 2.37 1.66 -0.28 0.00 -4.23 0.43 -4.70 115.64 110.89 1j0k s THR 573 Ca 0.02 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.52 1j0k s THR 573 Cb -0.12 -2.42 0.17 0.00 1.34 0.00 0.00 72.50 71.47 1j0k s THR 573 CO -0.08 0.00 0.53 -0.94 -0.54 0.00 0.00 174.62 173.60 1j0k s SER 574 N -3.64 -0.88 0.22 3.99 1.04 -1.26 0.25 113.70 113.41 1j0k s SER 574 Ca 0.69 0.69 0.06 0.00 0.48 0.00 0.00 55.95 57.88 1j0k s SER 574 Cb -0.13 1.85 -0.04 0.00 0.10 0.00 0.00 66.02 67.80 1j0k s SER 574 CO 0.57 -0.27 0.21 -0.76 0.98 0.00 0.00 173.24 173.97 1j0k s LEU 575 N 2.76 3.92 0.00 2.42 1.43 -0.71 -4.91 118.68 123.59 1j0k s LEU 575 Ca 0.18 -0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 53.10 1j0k s LEU 575 Cb -0.15 -2.48 0.05 0.00 0.03 0.00 0.00 46.19 43.64 1j0k s LEU 575 CO -0.19 -0.00 0.31 -0.81 0.23 0.00 0.00 176.35 175.88 1j0k n PRO 576 N -0.92 -0.26 -1.67 1.29 -0.04 -1.26 -1.51 135.00 130.63 1j0k n PRO 576 Ca -0.08 -0.49 -0.47 0.00 -0.04 0.00 0.00 63.50 62.41 1j0k n PRO 576 Cb 0.57 -0.31 -0.05 0.00 -0.04 0.00 0.00 33.50 33.67 1j0k n PRO 576 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1j0k n PRO 577 N -1.65 2.07 -2.60 0.54 -0.02 -1.20 -0.47 135.00 131.67 1j0k n PRO 577 Ca 0.04 0.75 -0.19 0.00 -2.02 0.00 0.00 63.50 62.08 1j0k n PRO 577 Cb 0.14 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 1j0k n PRO 577 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1j0k n TYR 578 N 4.41 -1.35 -1.69 6.00 4.01 -0.74 -4.95 117.16 122.84 1j0k n TYR 578 Ca 0.19 0.13 -0.29 0.00 -0.16 0.00 0.00 57.90 57.77 1j0k n TYR 578 Cb 0.28 -3.68 0.12 0.00 -0.31 0.00 0.00 39.34 35.75 1j0k n TYR 578 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1j0k s GLY 579 N -2.21 1.59 0.38 2.72 0.00 0.37 -4.78 107.32 105.40 1j0k s GLY 579 Ca 0.09 -0.62 -0.16 0.00 0.00 0.00 0.00 44.72 44.03 1j0k s GLY 579 CO 0.11 -0.07 0.79 -0.11 0.00 0.00 0.00 173.10 173.82 1j0k s PHE 580 N -3.43 0.12 -0.23 1.90 -0.71 -1.26 -1.25 117.98 113.12 1j0k s PHE 580 Ca 0.64 -0.79 -0.29 0.00 -1.04 0.00 0.00 56.93 55.44 1j0k s PHE 580 Cb -0.13 0.84 0.16 0.00 -1.21 0.00 0.00 43.02 42.69 1j0k s PHE 580 CO 0.52 -1.57 1.18 0.54 -1.34 0.00 0.00 175.22 174.55 1j0k s VAL 581 N -2.31 0.00 -0.03 -2.49 0.11 -0.87 -4.99 120.40 109.83 1j0k s VAL 581 Ca 0.15 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.26 1j0k s VAL 581 Cb -0.05 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.79 1j0k s VAL 581 CO 0.11 0.00 -0.18 -0.76 -3.33 0.00 0.00 175.10 170.94 1j0k s LEU 582 N -1.01 1.99 -0.03 2.54 1.02 -1.26 -1.85 118.68 120.08 1j0k s LEU 582 Ca 0.04 -0.35 0.02 0.00 0.02 0.00 0.00 54.13 53.86 1j0k s LEU 582 Cb -0.01 -0.98 0.01 0.00 0.02 0.00 0.00 46.19 45.23 1j0k s LEU 582 CO -0.04 0.20 -0.07 -0.31 0.02 0.00 0.00 176.35 176.16 1j0k s TYR 583 N -0.26 0.84 -0.13 0.29 4.12 0.11 -1.67 117.35 120.65 1j0k s TYR 583 Ca 0.03 -0.22 -0.20 0.00 0.02 0.00 0.00 57.07 56.70 1j0k s TYR 583 Cb -0.09 -0.65 -0.04 0.00 -1.52 0.00 0.00 41.96 39.67 1j0k s TYR 583 CO 0.00 -0.14 0.56 0.00 0.02 0.00 0.00 175.55 176.00 1j0k s ALA 584 N 0.48 3.46 -0.16 3.71 0.00 -0.28 0.14 121.76 129.11 1j0k s ALA 584 Ca -0.07 -0.15 -0.14 0.00 0.00 0.00 0.00 51.96 51.61 1j0k s ALA 584 Cb -0.11 -2.79 -0.05 0.00 0.00 0.00 0.00 23.12 20.18 1j0k s ALA 584 CO 0.01 -0.15 0.29 0.42 0.00 0.00 0.00 175.76 176.32 1j0k s ILE 585 N 0.97 5.31 -0.14 0.00 -1.09 0.89 -1.47 121.20 125.66 1j0k s ILE 585 Ca 0.29 0.53 0.01 0.00 -2.23 0.00 0.00 60.65 59.25 1j0k s ILE 585 Cb -0.16 -3.62 -0.00 0.00 -1.58 0.00 0.00 42.46 37.10 1j0k s ILE 585 CO 0.12 0.40 -0.17 -1.61 -1.23 0.00 0.00 174.94 172.45 1j0k s GLU 586 N 0.41 3.17 -0.77 2.79 2.02 0.33 -4.33 118.70 122.32 1j0k s GLU 586 Ca 0.16 -0.78 -0.09 0.00 0.02 0.00 0.00 54.97 54.28 1j0k s GLU 586 Cb -0.13 -2.55 0.20 0.00 0.10 0.00 0.00 34.13 31.75 1j0k s GLU 586 CO 0.04 0.05 0.66 -1.01 0.02 0.00 0.00 175.26 175.02 1j0k s HIS 587 N 0.72 3.65 -2.70 1.61 3.76 -1.26 -1.14 115.29 119.94 1j0k s HIS 587 Ca -0.08 -2.35 0.26 0.00 -0.15 0.00 0.00 55.06 52.75 1j0k s HIS 587 Cb -0.16 -3.56 0.70 0.00 1.11 0.00 0.00 32.58 30.67 1j0k s HIS 587 CO 0.01 -0.92 1.55 0.91 -0.85 0.00 0.00 174.74 175.44