#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 3.58 0.21 0.03 1.81 -1.26 -4.92 118.95 118.40 1j0k s ARG 2 Ca 0.00 -2.02 -0.11 0.00 -1.72 0.00 0.00 55.73 51.88 1j0k s ARG 2 Cb 0.00 -4.69 0.28 0.00 -0.45 0.00 0.00 34.95 30.09 1j0k s ARG 2 CO 0.00 -1.57 1.67 0.87 -0.68 0.00 0.00 175.30 175.59 1j0k h LYS 3 N 8.43 0.13 0.00 3.54 1.57 -2.04 -0.46 116.57 127.74 1j0k h LYS 3 Ca 0.12 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1j0k h LYS 3 Cb 1.03 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1j0k h LYS 3 CO 0.96 0.09 0.19 1.05 -0.57 0.00 0.00 179.45 181.17 1j0k h GLU 4 N 0.14 0.00 0.00 3.15 9.09 -2.03 -1.28 114.58 123.64 1j0k h GLU 4 Ca 0.31 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.68 1j0k h GLU 4 Cb 0.50 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.59 1j0k h GLU 4 CO -0.50 0.00 -1.37 0.00 0.05 0.00 0.00 179.01 177.19 1j0k n ALA 5 N -1.93 2.43 -2.03 1.06 0.00 -0.19 -4.87 120.51 114.97 1j0k n ALA 5 Ca -0.02 -0.40 -0.41 0.00 0.00 0.00 0.00 53.44 52.60 1j0k n ALA 5 Cb 0.24 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 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 -3.28 3.19 -0.08 0.00 1.01 -0.49 -4.22 121.20 117.34 1j0k s ILE 6 Ca -0.03 0.95 -0.17 0.00 0.00 0.00 0.00 60.65 61.40 1j0k s ILE 6 Cb 0.10 -3.61 0.04 0.00 0.01 0.00 0.00 42.46 39.00 1j0k s ILE 6 CO 0.82 0.13 0.40 -0.47 0.00 0.00 0.00 174.94 175.82 1j0k s TYR 7 N 0.33 -0.35 -0.28 3.97 5.04 -0.21 -5.00 117.35 120.85 1j0k s TYR 7 Ca 0.59 0.71 -0.16 0.00 -2.44 0.00 0.00 57.07 55.77 1j0k s TYR 7 Cb -0.37 0.16 0.10 0.00 0.35 0.00 0.00 41.96 42.20 1j0k s TYR 7 CO 0.37 -0.35 0.79 -1.58 -1.34 0.00 0.00 175.55 173.44 1j0k s HIS 8 N -0.70 -0.89 -0.09 4.97 5.65 -1.26 -1.93 115.29 121.04 1j0k s HIS 8 Ca -0.08 1.79 -0.00 0.00 0.25 0.00 0.00 55.06 57.02 1j0k s HIS 8 Cb -0.04 0.53 0.02 0.00 -1.18 0.00 0.00 32.58 31.92 1j0k s HIS 8 CO 0.04 -0.44 -0.06 0.50 -0.65 0.00 0.00 174.74 174.13 1j0k s ARG 9 N 1.50 1.24 -0.36 2.88 6.06 -1.26 -5.03 118.95 123.97 1j0k s ARG 9 Ca -0.09 -0.15 -0.29 0.00 -2.50 0.00 0.00 55.73 52.70 1j0k s ARG 9 Cb -0.05 -1.35 -0.31 0.00 0.06 0.00 0.00 34.95 33.30 1j0k s ARG 9 CO -0.18 -0.24 1.75 -0.35 -2.50 0.00 0.00 175.30 173.78 1j0k n PRO 10 N 4.86 0.28 -3.11 5.12 -0.04 -1.26 -4.21 135.00 136.65 1j0k n PRO 10 Ca -0.13 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.03 1j0k n PRO 10 Cb 0.50 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 1j0k n PRO 10 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j0k n ALA 11 N 11.09 0.00 0.00 0.55 0.00 -1.25 -4.81 120.51 126.10 1j0k n ALA 11 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1j0k n ALA 11 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 0.32 0.00 0.21 0.00 8.00 -1.24 -0.29 116.55 123.54 1j0k n ASP 12 Ca 0.00 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.65 1j0k n ASP 12 Cb 0.00 0.00 0.67 0.00 -0.02 0.00 0.00 41.12 41.77 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 0.00 0.00 0.47 -2.24 -1.07 -1.89 -3.20 115.58 107.65 1j0k h ASN 13 Ca 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 56.30 56.07 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 -1.69 -0.26 0.07 0.00 0.00 177.43 175.55 1j0k h PHE 14 N 0.00 0.09 -3.34 4.14 -1.00 -0.86 -3.43 116.94 112.54 1j0k h PHE 14 Ca 0.00 -0.07 -0.29 0.00 2.81 0.00 0.00 57.97 60.42 1j0k h PHE 14 Cb 0.27 -0.00 -0.34 0.00 3.61 0.00 0.00 35.95 39.48 1j0k h PHE 14 CO 0.00 1.13 -0.68 0.00 -1.61 0.00 0.00 178.31 177.16 1j0k s ALA 15 N -2.60 -0.04 -0.27 2.45 0.00 -0.61 -0.40 121.76 120.28 1j0k s ALA 15 Ca -0.07 0.45 -0.25 0.00 0.00 0.00 0.00 51.96 52.08 1j0k s ALA 15 Cb 0.08 -0.45 0.13 0.00 0.00 0.00 0.00 23.12 22.88 1j0k s ALA 15 CO 0.82 -0.24 1.07 1.52 0.00 0.00 0.00 175.76 178.93 1j0k s TYR 16 N 1.43 -0.42 -0.07 0.00 -0.85 -0.72 -3.71 117.35 113.02 1j0k s TYR 16 Ca -0.05 1.01 -0.30 0.00 -0.52 0.00 0.00 57.07 57.21 1j0k s TYR 16 Cb -0.12 0.38 -0.04 0.00 0.38 0.00 0.00 41.96 42.55 1j0k s TYR 16 CO -0.04 -0.22 1.49 0.00 -1.52 0.00 0.00 175.55 175.26 1j0k s ALA 17 N 0.10 3.62 0.04 9.51 0.00 -1.26 -0.05 121.76 133.73 1j0k s ALA 17 Ca 0.03 0.80 -0.15 0.00 0.00 0.00 0.00 51.96 52.65 1j0k s ALA 17 Cb -0.05 -3.68 -0.33 0.00 0.00 0.00 0.00 23.12 19.07 1j0k s ALA 17 CO -0.07 -1.22 1.04 -0.92 0.00 0.00 0.00 175.76 174.60 1j0k h TYR 18 N 8.74 0.99 0.00 0.00 3.20 0.28 -3.41 116.97 126.77 1j0k h TYR 18 Ca -0.36 -0.69 0.00 0.00 3.14 0.00 0.00 58.73 60.83 1j0k h TYR 18 Cb 1.16 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.37 1j0k h TYR 18 CO 0.83 1.53 0.00 -0.40 -1.64 0.00 0.00 178.16 178.48 1j0k n ASP 19 N -3.74 0.19 -1.20 -2.11 3.85 -0.50 -4.89 116.55 108.16 1j0k n ASP 19 Ca -0.16 0.00 0.05 0.00 -0.71 0.00 0.00 54.79 53.98 1j0k n ASP 19 Cb 1.06 0.00 0.24 0.00 -1.35 0.00 0.00 41.12 41.07 1j0k n ASP 19 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 1j0k n SER 20 N 0.00 3.46 0.00 -1.12 7.64 -1.26 -4.19 113.62 118.15 1j0k n SER 20 Ca 0.00 -2.39 0.00 0.00 1.01 0.00 0.00 58.87 57.49 1j0k n SER 20 Cb 0.00 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 1j0k n SER 20 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1j0k n GLU 21 N 0.54 0.00 -4.03 1.43 0.28 -1.26 -5.00 120.64 112.60 1j0k n GLU 21 Ca 0.17 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.88 1j0k n GLU 21 Cb 0.69 0.00 -0.17 0.00 1.43 0.00 0.00 31.44 33.39 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 0.00 1.31 0.09 3.84 2.01 -1.26 -4.19 115.64 117.45 1j0k s THR 22 Ca 0.00 -0.48 0.08 0.00 0.31 0.00 0.00 61.69 61.60 1j0k s THR 22 Cb 0.00 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 1j0k s THR 22 CO 0.00 0.41 -0.21 -1.48 -0.69 0.00 0.00 174.62 172.66 1j0k s LEU 23 N 1.51 2.28 -0.11 4.42 0.05 -0.71 0.96 118.68 127.08 1j0k s LEU 23 Ca 0.03 -0.66 -0.04 0.00 0.05 0.00 0.00 54.13 53.51 1j0k s LEU 23 Cb -0.13 -0.89 -0.04 0.00 -2.05 0.00 0.00 46.19 43.08 1j0k s LEU 23 CO -0.08 0.07 0.05 -1.00 -0.55 0.00 0.00 176.35 174.83 1j0k s HIS 24 N -1.11 3.29 0.01 3.48 3.76 0.93 -1.79 115.29 123.86 1j0k s HIS 24 Ca 0.06 0.24 0.08 0.00 -0.15 0.00 0.00 55.06 55.29 1j0k s HIS 24 Cb -0.10 -1.88 -0.03 0.00 1.11 0.00 0.00 32.58 31.68 1j0k s HIS 24 CO 0.04 0.47 -0.23 -0.51 -0.85 0.00 0.00 174.74 173.66 1j0k s LEU 25 N -0.66 2.29 0.01 0.89 1.43 -0.92 -1.75 118.68 119.97 1j0k s LEU 25 Ca 0.11 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 1j0k s LEU 25 Cb -0.12 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 1j0k s LEU 25 CO 0.02 0.29 -0.06 -0.60 0.23 0.00 0.00 176.35 176.23 1j0k s ARG 26 N -1.02 0.45 0.06 1.70 3.52 0.47 -2.16 118.95 121.98 1j0k s ARG 26 Ca 0.12 -0.31 0.06 0.00 -0.13 0.00 0.00 55.73 55.46 1j0k s ARG 26 Cb -0.10 -0.39 -0.03 0.00 -1.56 0.00 0.00 34.95 32.87 1j0k s ARG 26 CO 0.02 0.10 -0.16 -1.17 -0.81 0.00 0.00 175.30 173.28 1j0k s LEU 27 N -0.43 2.24 -0.05 -0.88 2.96 -0.58 -4.80 118.68 117.14 1j0k s LEU 27 Ca -0.00 -0.57 0.05 0.00 -0.22 0.00 0.00 54.13 53.39 1j0k s LEU 27 Cb -0.04 -0.63 -0.02 0.00 0.50 0.00 0.00 46.19 46.01 1j0k s LEU 27 CO -0.00 -0.01 -0.20 -0.60 -1.32 0.00 0.00 176.35 174.22 1j0k s ARG 28 N -1.53 2.45 0.13 1.98 3.52 -0.81 -0.83 118.95 123.86 1j0k s ARG 28 Ca 0.01 -0.81 -0.08 0.00 -0.13 0.00 0.00 55.73 54.72 1j0k s ARG 28 Cb -0.09 -2.25 -0.01 0.00 -1.56 0.00 0.00 34.95 31.04 1j0k s ARG 28 CO 0.02 0.52 0.23 0.95 -0.81 0.00 0.00 175.30 176.21 1j0k s THR 29 N -0.50 0.10 0.12 4.11 -4.23 -0.08 -1.04 115.64 114.11 1j0k s THR 29 Ca 0.06 -1.34 -0.31 0.00 -1.18 0.00 0.00 61.69 58.93 1j0k s THR 29 Cb -0.11 -1.64 -0.09 0.00 1.34 0.00 0.00 72.50 71.99 1j0k s THR 29 CO 0.01 -0.46 1.62 -0.75 -0.54 0.00 0.00 174.62 174.50 1j0k s LYS 30 N -3.93 4.20 -0.10 3.99 2.20 -1.26 0.96 119.74 125.81 1j0k s LYS 30 Ca 0.12 2.36 -0.38 0.00 -0.36 0.00 0.00 55.97 57.71 1j0k s LYS 30 Cb 0.04 -3.38 -0.16 0.00 -1.51 0.00 0.00 37.83 32.83 1j0k s LYS 30 CO -0.05 -0.68 1.54 1.17 -0.36 0.00 0.00 175.35 176.98 1j0k n LYS 31 N 4.79 1.16 -0.28 4.03 4.81 0.45 -1.35 118.16 131.76 1j0k n LYS 31 Ca 0.15 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 1j0k n LYS 31 Cb 0.39 -2.08 0.00 0.00 0.02 0.00 0.00 35.03 33.36 1j0k n LYS 31 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1j0k n ASP 32 N 3.97 0.00 -0.09 3.14 8.00 -1.26 -4.90 116.55 125.41 1j0k n ASP 32 Ca 0.22 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.67 1j0k n ASP 32 Cb 0.16 -0.57 0.15 0.00 -0.02 0.00 0.00 41.12 40.83 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 0.73 -3.35 -2.24 3.58 -1.59 -3.44 116.42 110.12 1j0k h ASP 33 Ca 0.00 -0.21 -0.63 0.00 0.42 0.00 0.00 57.03 56.61 1j0k h ASP 33 Cb 0.00 -0.20 -0.19 0.00 1.72 0.00 0.00 39.33 40.66 1j0k h ASP 33 CO 0.00 0.86 -0.62 -0.63 -2.88 0.00 0.00 179.24 175.97 1j0k s ILE 34 N -4.82 4.34 0.02 2.25 -1.09 -1.26 -4.77 121.20 115.86 1j0k s ILE 34 Ca -0.09 -0.19 -0.20 0.00 -2.23 0.00 0.00 60.65 57.94 1j0k s ILE 34 Cb 0.14 -2.95 -0.11 0.00 -1.58 0.00 0.00 42.46 37.97 1j0k s ILE 34 CO 0.81 0.45 1.10 0.44 -1.23 0.00 0.00 174.94 176.52 1j0k h ASP 35 N 6.95 -0.60 -4.92 3.58 3.45 -0.97 -3.47 116.42 120.45 1j0k h ASP 35 Ca -0.35 0.02 -0.20 0.00 0.43 0.00 0.00 57.03 56.94 1j0k h ASP 35 Cb 1.18 0.15 -0.15 0.00 -0.56 0.00 0.00 39.33 39.95 1j0k h ASP 35 CO 0.65 -0.37 -0.68 -0.13 -1.57 0.00 0.00 179.24 177.15 1j0k s ARG 36 N -4.22 0.83 0.00 3.56 0.52 -0.83 -5.01 118.95 113.80 1j0k s ARG 36 Ca -0.10 -1.35 0.02 0.00 -0.52 0.00 0.00 55.73 53.77 1j0k s ARG 36 Cb 0.01 -0.01 -0.01 0.00 0.52 0.00 0.00 34.95 35.46 1j0k s ARG 36 CO 0.31 -0.11 -0.06 0.08 0.02 0.00 0.00 175.30 175.54 1j0k s VAL 37 N -3.79 0.48 -0.03 3.52 1.01 -1.26 -1.35 120.40 118.97 1j0k s VAL 37 Ca 0.14 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.78 1j0k s VAL 37 Cb 0.07 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 36.03 1j0k s VAL 37 CO -0.04 0.06 -0.07 -1.61 0.00 0.00 0.00 175.10 173.45 1j0k s GLU 38 N -0.34 0.89 -0.29 2.72 2.02 -0.39 0.14 118.70 123.45 1j0k s GLU 38 Ca 0.01 -0.21 -0.25 0.00 0.02 0.00 0.00 54.97 54.54 1j0k s GLU 38 Cb -0.03 -0.85 0.00 0.00 0.10 0.00 0.00 34.13 33.35 1j0k s GLU 38 CO -0.00 0.02 0.85 -1.17 0.02 0.00 0.00 175.26 174.98 1j0k s LEU 39 N 0.52 4.06 -0.35 1.80 2.96 0.32 -0.87 118.68 127.12 1j0k s LEU 39 Ca -0.08 0.83 -0.21 0.00 -0.22 0.00 0.00 54.13 54.46 1j0k s LEU 39 Cb -0.11 -3.19 0.00 0.00 0.50 0.00 0.00 46.19 43.39 1j0k s LEU 39 CO 0.01 -0.64 0.67 -0.22 -1.32 0.00 0.00 176.35 174.85 1j0k s LEU 40 N 3.05 4.21 0.07 -0.68 0.20 -0.32 -0.71 118.68 124.50 1j0k s LEU 40 Ca 0.35 0.24 -0.05 0.00 0.69 0.00 0.00 54.13 55.36 1j0k s LEU 40 Cb -0.14 -2.84 -0.02 0.00 -0.43 0.00 0.00 46.19 42.76 1j0k s LEU 40 CO 0.12 -0.61 0.09 -1.38 -0.29 0.00 0.00 176.35 174.28 1j0k s HIS 41 N 2.78 0.31 0.00 5.38 -3.43 -0.28 -1.00 115.29 119.04 1j0k s HIS 41 Ca 0.26 -0.79 0.00 0.00 -0.80 0.00 0.00 55.06 53.73 1j0k s HIS 41 Cb -0.14 -0.20 0.00 0.00 -1.43 0.00 0.00 32.58 30.81 1j0k s HIS 41 CO 0.15 -0.47 0.00 0.41 -2.00 0.00 0.00 174.74 172.83 1j0k n GLY 42 N 0.03 0.60 3.68 -1.38 0.00 -0.98 0.46 105.19 107.60 1j0k n GLY 42 Ca -0.15 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 1j0k n GLY 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j0k s ASP 43 N 0.00 6.94 0.39 1.61 2.15 -1.26 -0.93 116.67 125.56 1j0k s ASP 43 Ca 0.00 1.91 0.04 0.00 0.43 0.00 0.00 52.55 54.93 1j0k s ASP 43 Cb 0.00 -2.55 0.21 0.00 -0.30 0.00 0.00 42.92 40.28 1j0k s ASP 43 CO 0.00 -0.68 0.94 -0.65 -0.17 0.00 0.00 175.17 174.61 1j0k h PRO 44 N 7.85 0.00 0.00 4.34 0.11 -1.88 -0.49 132.00 141.93 1j0k h PRO 44 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1j0k h PRO 44 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1j0k h PRO 44 CO 0.91 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.36 1j0k n TYR 45 N -1.96 0.00 -2.79 0.65 4.02 -1.26 -4.94 117.16 110.89 1j0k n TYR 45 Ca -0.00 -0.31 -0.43 0.00 -0.01 0.00 0.00 57.90 57.14 1j0k n TYR 45 Cb 0.68 -0.03 -0.01 0.00 -0.02 0.00 0.00 39.34 39.96 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 -0.62 6.89 -0.04 7.72 3.68 -0.19 -4.97 116.67 129.14 1j0k s ASP 46 Ca 0.00 -2.55 0.03 0.00 2.13 0.00 0.00 52.55 52.16 1j0k s ASP 46 Cb 0.00 -2.48 -0.03 0.00 -1.45 0.00 0.00 42.92 38.97 1j0k s ASP 46 CO 0.00 -1.00 -0.12 0.26 0.13 0.00 0.00 175.17 174.45 1j0k s TRP 47 N 2.92 2.78 0.03 -5.34 0.52 -1.26 -1.01 118.94 117.57 1j0k s TRP 47 Ca 0.46 -0.10 -0.09 0.00 0.02 0.00 0.00 56.10 56.39 1j0k s TRP 47 Cb -0.00 -1.64 0.00 0.00 -1.15 0.00 0.00 33.47 30.68 1j0k s TRP 47 CO 0.01 0.25 0.18 -0.65 0.02 0.00 0.00 176.95 176.76 1j0k s GLN 48 N -0.88 0.62 -0.63 4.98 -0.21 -0.58 -4.83 119.66 118.12 1j0k s GLN 48 Ca 0.13 -0.55 -0.08 0.00 0.02 0.00 0.00 55.36 54.87 1j0k s GLN 48 Cb -0.11 0.26 0.08 0.00 1.00 0.00 0.00 33.01 34.24 1j0k s GLN 48 CO 0.02 -0.17 0.20 -1.71 -2.12 0.00 0.00 175.29 171.51 1j0k n ASN 49 N 0.94 -1.28 -1.65 5.90 5.15 -1.26 0.21 115.26 123.27 1j0k n ASN 49 Ca -0.20 -0.09 -0.16 0.00 -0.60 0.00 0.00 54.58 53.53 1j0k n ASN 49 Cb 0.58 -1.20 -0.02 0.00 -0.53 0.00 0.00 39.78 38.60 1j0k n ASN 49 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1j0k n GLY 50 N -0.69 0.21 2.94 8.20 0.00 -1.26 -5.01 105.19 109.58 1j0k n GLY 50 Ca 0.04 -0.23 -0.19 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.74 0.62 -0.55 4.61 0.00 0.55 -4.98 121.76 119.28 1j0k s ALA 51 Ca 0.00 -0.16 -0.27 0.00 0.00 0.00 0.00 51.96 51.53 1j0k s ALA 51 Cb 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 1j0k s ALA 51 CO 0.00 0.07 1.78 -0.46 0.00 0.00 0.00 175.76 177.14 1j0k s TRP 52 N 0.40 1.79 -0.35 0.00 -0.00 -1.26 -1.53 118.94 117.99 1j0k s TRP 52 Ca -0.05 0.70 -0.28 0.00 -0.00 0.00 0.00 56.10 56.48 1j0k s TRP 52 Cb -0.09 -4.15 -0.06 0.00 -0.00 0.00 0.00 33.47 29.17 1j0k s TRP 52 CO 0.00 -2.39 2.32 1.04 -0.00 0.00 0.00 176.95 177.92 1j0k n GLN 53 N 8.94 1.50 -4.16 5.86 1.13 -0.18 -4.93 117.38 125.55 1j0k n GLN 53 Ca 0.20 0.28 -0.16 0.00 -1.94 0.00 0.00 57.00 55.38 1j0k n GLN 53 Cb 0.50 -3.27 -0.11 0.00 0.11 0.00 0.00 30.24 27.47 1j0k n GLN 53 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1j0k s PHE 54 N 9.98 1.10 0.32 1.08 -0.71 -1.26 -4.36 117.98 124.13 1j0k s PHE 54 Ca 1.01 -0.55 0.09 0.00 -1.04 0.00 0.00 56.93 56.44 1j0k s PHE 54 Cb -0.30 -0.61 -0.04 0.00 -1.21 0.00 0.00 43.02 40.85 1j0k s PHE 54 CO 0.32 0.02 0.09 -0.65 -1.34 0.00 0.00 175.22 173.67 1j0k s GLN 55 N -2.20 2.32 -0.33 1.99 -0.21 0.17 -4.92 119.66 116.48 1j0k s GLN 55 Ca 0.01 -1.55 0.00 0.00 0.02 0.00 0.00 55.36 53.84 1j0k s GLN 55 Cb -0.07 -2.14 0.08 0.00 1.00 0.00 0.00 33.01 31.88 1j0k s GLN 55 CO 0.01 0.17 0.04 -1.64 -2.12 0.00 0.00 175.29 171.76 1j0k s MET 56 N -3.79 2.05 -0.24 2.91 -1.94 -1.26 -1.13 119.30 115.90 1j0k s MET 56 Ca 0.36 -1.57 -0.07 0.00 -1.71 0.00 0.00 55.69 52.69 1j0k s MET 56 Cb -0.03 -3.23 -0.03 0.00 2.01 0.00 0.00 34.83 33.55 1j0k s MET 56 CO 0.22 -0.80 0.07 1.41 -0.01 0.00 0.00 175.02 175.90 1j0k s MET 57 N 1.11 3.69 0.40 2.03 1.75 0.11 -4.91 119.30 123.48 1j0k s MET 57 Ca 0.02 -0.46 -0.27 0.00 -1.25 0.00 0.00 55.69 53.72 1j0k s MET 57 Cb -0.20 -3.31 -0.10 0.00 2.84 0.00 0.00 34.83 34.06 1j0k s MET 57 CO -0.04 -0.14 1.41 -1.25 -0.65 0.00 0.00 175.02 174.35 1j0k s PRO 58 N 1.48 3.97 0.08 4.11 0.04 -1.26 0.12 135.00 143.54 1j0k s PRO 58 Ca 0.06 2.39 0.01 0.00 0.04 0.00 0.00 61.00 63.50 1j0k s PRO 58 Cb -0.15 -2.84 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 1j0k s PRO 58 CO 0.04 -0.57 0.18 -1.64 0.04 0.00 0.00 177.00 175.04 1j0k s MET 59 N -2.20 3.29 -0.19 4.56 -1.94 0.12 -4.76 119.30 118.18 1j0k s MET 59 Ca 0.56 -0.53 -0.07 0.00 -1.71 0.00 0.00 55.69 53.94 1j0k s MET 59 Cb -0.43 -2.95 -0.04 0.00 2.01 0.00 0.00 34.83 33.43 1j0k s MET 59 CO 0.57 0.59 0.05 0.50 -0.01 0.00 0.00 175.02 176.72 1j0k s ARG 60 N -2.56 3.92 -0.59 2.03 3.52 0.63 -4.61 118.95 121.29 1j0k s ARG 60 Ca 0.33 -0.37 -0.28 0.00 -0.13 0.00 0.00 55.73 55.29 1j0k s ARG 60 Cb -0.13 -3.20 0.02 0.00 -1.56 0.00 0.00 34.95 30.08 1j0k s ARG 60 CO 0.26 0.23 1.36 0.21 -0.81 0.00 0.00 175.30 176.56 1j0k s LYS 61 N 0.48 3.31 0.00 5.12 2.20 -1.26 0.21 119.74 129.80 1j0k s LYS 61 Ca 0.03 0.31 0.17 0.00 -0.36 0.00 0.00 55.97 56.12 1j0k s LYS 61 Cb -0.13 -4.12 0.63 0.00 -1.51 0.00 0.00 37.83 32.70 1j0k s LYS 61 CO 0.01 -1.94 1.46 0.25 -0.36 0.00 0.00 175.35 174.77 1j0k n THR 62 N 6.76 0.27 0.00 3.43 -2.24 -0.26 -4.95 114.28 117.29 1j0k n THR 62 Ca 0.10 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1j0k n THR 62 Cb 0.49 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 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 1.07 0.57 3.50 3.38 0.00 -1.23 -4.93 105.19 107.55 1j0k n GLY 63 Ca 0.14 -1.65 -0.09 0.00 0.00 0.00 0.00 46.02 44.42 1j0k n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j0k s SER 64 N 0.00 -0.19 0.00 1.61 1.04 -1.26 -0.37 113.70 114.54 1j0k s SER 64 Ca 0.00 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1j0k s SER 64 Cb 0.00 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1j0k s SER 64 CO 0.00 -1.04 0.00 -0.90 0.98 0.00 0.00 173.24 172.28 1j0k n ASP 65 N -0.32 0.00 -0.12 7.02 5.68 -0.15 -4.53 116.55 124.12 1j0k n ASP 65 Ca -0.09 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.13 1j0k n ASP 65 Cb 0.62 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.61 1j0k n ASP 65 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1j0k h GLU 66 N 0.00 0.47 0.00 0.11 4.39 -1.94 -3.36 114.58 114.24 1j0k h GLU 66 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1j0k h GLU 66 Cb 0.00 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1j0k h GLU 66 CO 0.00 0.31 -0.80 1.28 -1.16 0.00 0.00 179.01 178.64 1j0k n LEU 67 N -4.85 0.03 -4.52 1.33 4.77 -1.26 -4.95 117.00 107.55 1j0k n LEU 67 Ca 0.01 -0.15 -0.25 0.00 -0.03 0.00 0.00 56.01 55.59 1j0k n LEU 67 Cb 0.05 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.03 1j0k n LEU 67 CO 0.33 0.01 -0.38 -0.36 -1.33 0.00 0.00 177.39 175.65 1j0k s PHE 68 N -1.86 2.32 -0.02 -1.77 0.08 -1.26 -0.41 117.98 115.06 1j0k s PHE 68 Ca -0.00 -0.53 0.03 0.00 0.12 0.00 0.00 56.93 56.55 1j0k s PHE 68 Cb 0.01 -1.32 -0.03 0.00 -0.57 0.00 0.00 43.02 41.11 1j0k s PHE 68 CO 0.09 0.53 -0.10 -0.51 -0.10 0.00 0.00 175.22 175.13 1j0k s ASP 69 N -3.58 4.37 -0.10 1.36 1.11 0.27 -0.98 116.67 119.12 1j0k s ASP 69 Ca 0.32 -0.17 0.03 0.00 0.18 0.00 0.00 52.55 52.90 1j0k s ASP 69 Cb 0.02 -0.97 0.01 0.00 1.07 0.00 0.00 42.92 43.05 1j0k s ASP 69 CO 0.16 0.31 -0.18 -0.31 1.18 0.00 0.00 175.17 176.32 1j0k s TYR 70 N -0.89 2.18 0.01 4.23 2.02 0.51 -0.91 117.35 124.51 1j0k s TYR 70 Ca 0.14 -0.98 0.03 0.00 -0.37 0.00 0.00 57.07 55.90 1j0k s TYR 70 Cb -0.11 -1.52 -0.04 0.00 -0.40 0.00 0.00 41.96 39.90 1j0k s TYR 70 CO 0.04 -0.45 -0.04 -1.58 -1.57 0.00 0.00 175.55 171.95 1j0k s TRP 71 N 0.72 2.96 0.21 2.71 0.52 -0.01 -1.10 118.94 124.96 1j0k s TRP 71 Ca -0.11 0.00 0.10 0.00 0.02 0.00 0.00 56.10 56.11 1j0k s TRP 71 Cb -0.16 -1.62 -0.05 0.00 -1.15 0.00 0.00 33.47 30.49 1j0k s TRP 71 CO 0.02 0.42 -0.20 0.12 0.02 0.00 0.00 176.95 177.33 1j0k s PHE 72 N -1.06 2.06 -0.23 -1.98 5.36 0.57 -1.53 117.98 121.16 1j0k s PHE 72 Ca 0.19 -0.42 -0.22 0.00 -0.96 0.00 0.00 56.93 55.52 1j0k s PHE 72 Cb -0.11 -0.97 0.06 0.00 -0.34 0.00 0.00 43.02 41.66 1j0k s PHE 72 CO 0.10 0.49 0.64 0.00 -1.46 0.00 0.00 175.22 174.99 1j0k s ALA 73 N -2.25 -1.58 -0.16 11.12 0.00 -0.92 -0.27 121.76 127.70 1j0k s ALA 73 Ca 0.22 1.78 0.02 0.00 0.00 0.00 0.00 51.96 53.98 1j0k s ALA 73 Cb -0.05 -1.02 0.01 0.00 0.00 0.00 0.00 23.12 22.06 1j0k s ALA 73 CO 0.10 -0.30 -0.20 -2.00 0.00 0.00 0.00 175.76 173.35 1j0k s GLU 74 N 0.29 3.03 -0.01 0.00 2.12 -1.26 -2.15 118.70 120.72 1j0k s GLU 74 Ca -0.00 -0.83 0.01 0.00 0.36 0.00 0.00 54.97 54.51 1j0k s GLU 74 Cb -0.04 -2.52 0.00 0.00 0.26 0.00 0.00 34.13 31.83 1j0k s GLU 74 CO 0.01 -0.09 -0.03 0.54 -0.54 0.00 0.00 175.26 175.15 1j0k s VAL 75 N 1.02 0.26 -0.44 3.70 0.11 -0.74 -5.00 120.40 119.31 1j0k s VAL 75 Ca -0.02 -0.11 -0.05 0.00 -2.93 0.00 0.00 61.98 58.88 1j0k s VAL 75 Cb -0.14 -0.25 0.12 0.00 -1.53 0.00 0.00 36.38 34.57 1j0k s VAL 75 CO -0.06 0.09 0.26 -0.54 -3.33 0.00 0.00 175.10 171.52 1j0k s LYS 76 N 0.14 2.17 0.26 1.54 1.02 -1.26 -1.74 119.74 121.87 1j0k s LYS 76 Ca -0.01 -1.83 -0.30 0.00 0.02 0.00 0.00 55.97 53.85 1j0k s LYS 76 Cb -0.04 -3.70 -0.11 0.00 -0.52 0.00 0.00 37.83 33.46 1j0k s LYS 76 CO -0.00 -1.12 1.57 -2.14 -0.92 0.00 0.00 175.35 172.74 1j0k s PRO 77 N 1.17 4.16 0.27 -1.68 0.02 -1.26 -4.89 135.00 132.80 1j0k s PRO 77 Ca 0.08 2.50 -0.01 0.00 0.02 0.00 0.00 61.00 63.59 1j0k s PRO 77 Cb -0.24 -3.06 0.49 0.00 0.02 0.00 0.00 34.50 31.71 1j0k s PRO 77 CO -0.03 -0.60 1.84 -1.00 -0.33 0.00 0.00 177.00 176.88 1j0k h PRO 78 N 5.35 0.98 -0.15 5.54 0.13 -1.96 -2.72 132.00 139.19 1j0k h PRO 78 Ca -0.46 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 64.56 1j0k h PRO 78 Cb 1.22 -0.22 -0.03 0.00 0.13 0.00 0.00 31.00 32.09 1j0k h PRO 78 CO 0.82 0.65 -0.16 0.66 -0.23 0.00 0.00 178.00 179.74 1j0k n TYR 79 N -4.61 0.49 -1.75 1.56 4.02 -1.26 -4.96 117.16 110.65 1j0k n TYR 79 Ca 0.17 -1.30 -0.19 0.00 -0.01 0.00 0.00 57.90 56.58 1j0k n TYR 79 Cb 0.30 -0.31 -0.06 0.00 -0.02 0.00 0.00 39.34 39.25 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 -1.10 -1.35 -4.41 -0.72 1.74 -1.03 -4.96 116.66 104.84 1j0k n ARG 80 Ca 0.23 1.09 -0.21 0.00 -0.77 0.00 0.00 57.85 58.19 1j0k n ARG 80 Cb 0.82 -5.45 -0.13 0.00 -1.02 0.00 0.00 32.46 26.67 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 -3.93 1.02 -0.21 5.56 0.52 -1.26 -2.51 118.95 118.14 1j0k s ARG 81 Ca 0.00 -0.79 -0.14 0.00 -0.52 0.00 0.00 55.73 54.28 1j0k s ARG 81 Cb 0.00 -1.05 0.06 0.00 0.52 0.00 0.00 34.95 34.48 1j0k s ARG 81 CO 0.00 0.26 0.52 -1.17 0.02 0.00 0.00 175.30 174.93 1j0k s LEU 82 N -1.14 -0.31 -0.14 2.53 2.96 -1.18 -4.43 118.68 116.97 1j0k s LEU 82 Ca 0.03 1.11 0.01 0.00 -0.22 0.00 0.00 54.13 55.06 1j0k s LEU 82 Cb -0.08 1.76 -0.00 0.00 0.50 0.00 0.00 46.19 48.37 1j0k s LEU 82 CO 0.01 -0.20 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.54 1j0k s ARG 83 N 1.17 3.19 0.19 1.98 1.81 -0.11 -1.34 118.95 125.85 1j0k s ARG 83 Ca -0.07 -0.77 -0.06 0.00 -1.72 0.00 0.00 55.73 53.11 1j0k s ARG 83 Cb -0.06 -2.56 -0.02 0.00 -0.45 0.00 0.00 34.95 31.86 1j0k s ARG 83 CO -0.11 0.06 0.24 1.52 -0.68 0.00 0.00 175.30 176.33 1j0k s TYR 84 N 0.69 0.73 0.35 -0.53 1.13 0.14 -2.32 117.35 117.55 1j0k s TYR 84 Ca -0.08 -1.05 -0.07 0.00 -1.41 0.00 0.00 57.07 54.47 1j0k s TYR 84 Cb -0.16 -0.24 0.02 0.00 -1.10 0.00 0.00 41.96 40.48 1j0k s TYR 84 CO 0.02 -0.73 0.57 0.20 -2.51 0.00 0.00 175.55 173.09 1j0k s GLY 85 N -3.06 1.14 -0.03 5.49 0.00 -0.17 0.96 107.32 111.65 1j0k s GLY 85 Ca 0.27 -1.28 0.05 0.00 0.00 0.00 0.00 44.72 43.76 1j0k s GLY 85 CO 0.07 -0.79 -0.17 -1.36 0.00 0.00 0.00 173.10 170.85 1j0k s PHE 86 N -2.86 1.61 -0.19 1.90 0.08 0.09 -1.18 117.98 117.44 1j0k s PHE 86 Ca 0.26 -0.41 -0.04 0.00 0.12 0.00 0.00 56.93 56.86 1j0k s PHE 86 Cb -0.02 -1.07 -0.02 0.00 -0.57 0.00 0.00 43.02 41.34 1j0k s PHE 86 CO 0.17 -0.11 -0.03 0.08 -0.10 0.00 0.00 175.22 175.23 1j0k s VAL 87 N -0.11 3.70 -0.07 -0.44 1.01 -0.05 0.06 120.40 124.49 1j0k s VAL 87 Ca -0.00 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1j0k s VAL 87 Cb -0.10 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 1j0k s VAL 87 CO 0.01 0.44 -0.14 -0.76 0.00 0.00 0.00 175.10 174.66 1j0k s LEU 88 N 0.99 2.74 -0.07 3.92 1.02 0.14 -1.26 118.68 126.16 1j0k s LEU 88 Ca 0.01 -0.23 0.05 0.00 0.02 0.00 0.00 54.13 53.98 1j0k s LEU 88 Cb -0.15 -1.57 -0.00 0.00 0.02 0.00 0.00 46.19 44.49 1j0k s LEU 88 CO 0.01 0.30 -0.22 -0.31 0.02 0.00 0.00 176.35 176.15 1j0k s TYR 89 N -0.44 2.22 -0.39 0.29 1.51 -0.46 -1.14 117.35 118.93 1j0k s TYR 89 Ca 0.05 -0.75 0.03 0.00 -1.01 0.00 0.00 57.07 55.39 1j0k s TYR 89 Cb -0.12 -1.48 0.16 0.00 -0.11 0.00 0.00 41.96 40.41 1j0k s TYR 89 CO 0.02 -0.27 0.33 0.45 -1.11 0.00 0.00 175.55 174.97 1j0k s SER 90 N 0.12 1.66 0.21 2.29 0.15 -0.90 -0.32 113.70 116.91 1j0k s SER 90 Ca -0.09 -2.39 0.00 0.00 0.70 0.00 0.00 55.95 54.17 1j0k s SER 90 Cb -0.15 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 1j0k s SER 90 CO 0.05 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.87 1j0k n GLY 91 N 3.52 1.56 0.00 9.45 0.00 -1.26 -2.88 105.19 115.59 1j0k n GLY 91 Ca 0.19 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.81 1j0k n GLY 91 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j0k n GLU 92 N 0.00 2.31 -2.06 1.61 4.71 -1.26 -5.03 120.64 120.92 1j0k n GLU 92 Ca 0.00 -0.02 -0.41 0.00 -0.01 0.00 0.00 57.16 56.72 1j0k n GLU 92 Cb 0.00 -0.91 -0.02 0.00 -1.01 0.00 0.00 31.44 29.50 1j0k n GLU 92 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1j0k s GLU 93 N -1.86 4.31 -0.04 3.49 2.12 -1.14 -5.03 118.70 120.54 1j0k s GLU 93 Ca -0.00 2.26 0.02 0.00 0.36 0.00 0.00 54.97 57.61 1j0k s GLU 93 Cb 0.02 -3.09 0.01 0.00 0.26 0.00 0.00 34.13 31.33 1j0k s GLU 93 CO 0.12 -0.31 -0.10 0.21 -0.54 0.00 0.00 175.26 174.64 1j0k s LYS 94 N -1.04 1.28 0.01 4.30 2.20 -1.26 -2.12 119.74 123.11 1j0k s LYS 94 Ca 0.54 -0.35 0.05 0.00 -0.36 0.00 0.00 55.97 55.85 1j0k s LYS 94 Cb -0.41 -1.13 -0.02 0.00 -1.51 0.00 0.00 37.83 34.76 1j0k s LYS 94 CO 0.48 0.07 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.89 1j0k s LEU 95 N 0.44 2.09 -0.26 5.43 1.43 -0.29 -4.58 118.68 122.93 1j0k s LEU 95 Ca -0.08 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.71 1j0k s LEU 95 Cb -0.12 -0.66 0.06 0.00 0.03 0.00 0.00 46.19 45.49 1j0k s LEU 95 CO 0.02 0.11 -0.11 -0.69 0.23 0.00 0.00 176.35 175.91 1j0k s VAL 96 N -0.55 2.15 -0.22 -1.59 1.01 0.38 0.26 120.40 121.85 1j0k s VAL 96 Ca 0.04 -1.64 -0.17 0.00 0.00 0.00 0.00 61.98 60.21 1j0k s VAL 96 Cb -0.06 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 1j0k s VAL 96 CO 0.00 -0.04 0.45 -0.47 0.00 0.00 0.00 175.10 175.04 1j0k s TYR 97 N 1.10 3.34 0.24 5.22 5.04 0.11 -0.33 117.35 132.07 1j0k s TYR 97 Ca -0.09 0.64 0.01 0.00 -2.44 0.00 0.00 57.07 55.20 1j0k s TYR 97 Cb -0.20 -2.61 -0.04 0.00 0.35 0.00 0.00 41.96 39.46 1j0k s TYR 97 CO -0.05 -0.11 0.15 0.95 -1.34 0.00 0.00 175.55 175.15 1j0k s THR 98 N 1.66 0.10 0.55 4.34 -4.23 -0.57 -0.73 115.64 116.77 1j0k s THR 98 Ca 0.20 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.96 1j0k s THR 98 Cb -0.15 -2.52 0.32 0.00 1.34 0.00 0.00 72.50 71.49 1j0k s THR 98 CO 0.09 0.00 2.20 -0.08 -0.54 0.00 0.00 174.62 176.29 1j0k h GLU 99 N 2.48 0.00 -0.21 3.99 4.81 -1.30 0.07 114.58 124.41 1j0k h GLU 99 Ca -0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1j0k h GLU 99 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1j0k h GLU 99 CO 0.52 0.01 0.00 1.63 -0.73 0.00 0.00 179.01 180.44 1j0k n LYS 100 N -4.12 1.99 0.00 1.92 5.02 -1.02 -5.04 118.16 116.91 1j0k n LYS 100 Ca -0.03 -1.48 0.00 0.00 -2.02 0.00 0.00 58.31 54.78 1j0k n LYS 100 Cb 0.09 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 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 -0.22 3.82 0.72 0.00 0.01 -5.05 105.19 105.73 1j0k n GLY 101 Ca 0.17 -2.25 -0.38 0.00 0.00 0.00 0.00 46.02 43.57 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 3.75 0.06 1.61 0.40 -1.26 -1.52 117.98 121.02 1j0k s PHE 102 Ca 0.00 1.27 0.03 0.00 -0.60 0.00 0.00 56.93 57.63 1j0k s PHE 102 Cb 0.00 -2.51 -0.03 0.00 0.51 0.00 0.00 43.02 41.00 1j0k s PHE 102 CO 0.00 0.51 -0.08 0.71 0.70 0.00 0.00 175.22 177.06 1j0k s TYR 103 N -1.26 0.78 -1.92 0.36 1.51 0.55 -4.94 117.35 112.45 1j0k s TYR 103 Ca 0.34 -0.56 0.20 0.00 -1.01 0.00 0.00 57.07 56.03 1j0k s TYR 103 Cb -0.18 -0.46 0.59 0.00 -0.11 0.00 0.00 41.96 41.80 1j0k s TYR 103 CO 0.20 -0.07 1.49 1.19 -1.11 0.00 0.00 175.55 177.25 1j0k n PHE 104 N 1.17 0.93 -3.64 2.71 3.01 -1.26 0.14 117.46 120.52 1j0k n PHE 104 Ca -0.21 -0.45 -0.03 0.00 1.01 0.00 0.00 57.45 57.77 1j0k n PHE 104 Cb 0.56 -0.02 -0.07 0.00 -0.01 0.00 0.00 39.48 39.94 1j0k n PHE 104 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1j0k s GLU 105 N -1.19 0.28 -0.39 -1.08 2.56 -1.26 -4.82 118.70 112.80 1j0k s GLU 105 Ca 0.44 0.41 -0.38 0.00 0.00 0.00 0.00 54.97 55.44 1j0k s GLU 105 Cb 0.24 0.10 -0.14 0.00 2.00 0.00 0.00 34.13 36.33 1j0k s GLU 105 CO 0.29 -0.05 2.16 0.28 -0.56 0.00 0.00 175.26 177.38 1j0k n VAL 106 N 2.73 0.14 -2.46 3.70 0.31 -1.26 -4.93 118.33 116.56 1j0k n VAL 106 Ca -0.15 -0.18 -0.38 0.00 -0.01 0.00 0.00 64.34 63.62 1j0k n VAL 106 Cb 0.57 -1.32 -0.04 0.00 -0.91 0.00 0.00 33.84 32.15 1j0k n VAL 106 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1j0k s PRO 107 N 6.05 4.27 0.00 5.55 0.04 -1.26 -4.93 135.00 144.73 1j0k s PRO 107 Ca 1.12 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.84 1j0k s PRO 107 Cb -1.04 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 30.74 1j0k s PRO 107 CO 0.54 -0.09 0.14 0.25 0.04 0.00 0.00 177.00 177.88 1j0k n THR 108 N 0.32 0.02 1.79 1.26 -2.24 -1.26 -4.79 114.28 109.38 1j0k n THR 108 Ca 0.03 -0.08 0.08 0.00 -2.27 0.00 0.00 64.05 61.81 1j0k n THR 108 Cb 0.47 1.73 0.43 0.00 -2.10 0.00 0.00 70.33 70.86 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 -0.01 0.44 -3.62 3.42 5.75 -1.26 -4.32 116.55 116.95 1j0k n ASP 109 Ca 0.00 -1.58 -0.07 0.00 -0.01 0.00 0.00 54.79 53.13 1j0k n ASP 109 Cb 0.25 -0.03 -0.02 0.00 -1.03 0.00 0.00 41.12 40.29 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 -1.48 -0.30 0.00 -1.12 -1.08 -1.26 -5.03 116.67 106.40 1j0k s ASP 110 Ca 0.25 -0.20 0.09 0.00 -0.52 0.00 0.00 52.55 52.16 1j0k s ASP 110 Cb 0.12 0.47 0.14 0.00 -1.46 0.00 0.00 42.92 42.19 1j0k s ASP 110 CO 0.20 -0.81 0.96 0.35 0.52 0.00 0.00 175.17 176.38 1j0k n THR 111 N -0.36 0.43 0.24 1.71 -2.24 -1.26 -4.60 114.28 108.19 1j0k n THR 111 Ca -0.08 -0.71 0.14 0.00 -2.27 0.00 0.00 64.05 61.12 1j0k n THR 111 Cb 0.61 0.89 0.41 0.00 -2.10 0.00 0.00 70.33 70.14 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 1.66 0.98 0.00 6.98 0.00 -1.99 -2.89 119.26 124.01 1j0k h ALA 112 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1j0k h ALA 112 Cb 0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1j0k h ALA 112 CO 0.00 0.06 -0.27 1.88 0.00 0.00 0.00 179.25 180.92 1j0k h TYR 113 N 0.00 0.00 -3.86 0.00 -1.99 -1.98 -3.44 116.97 105.71 1j0k h TYR 113 Ca -0.00 0.00 -0.47 0.00 2.00 0.00 0.00 58.73 60.26 1j0k h TYR 113 Cb 0.79 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.50 1j0k h TYR 113 CO 0.00 0.27 0.22 0.71 -0.00 0.00 0.00 178.16 179.36 1j0k s TYR 114 N -3.80 3.41 0.58 4.88 1.51 -1.09 -0.93 117.35 121.90 1j0k s TYR 114 Ca -0.01 1.44 -0.19 0.00 -1.01 0.00 0.00 57.07 57.30 1j0k s TYR 114 Cb 0.11 -2.70 -0.04 0.00 -0.11 0.00 0.00 41.96 39.22 1j0k s TYR 114 CO 0.65 0.05 1.22 -0.06 -1.11 0.00 0.00 175.55 176.30 1j0k s PHE 115 N -1.98 2.40 0.01 2.71 0.08 0.27 -4.66 117.98 116.82 1j0k s PHE 115 Ca 0.56 1.50 0.04 0.00 0.12 0.00 0.00 56.93 59.15 1j0k s PHE 115 Cb -0.11 -3.51 -0.01 0.00 -0.57 0.00 0.00 43.02 38.81 1j0k s PHE 115 CO 0.17 -2.25 -0.12 0.00 -0.10 0.00 0.00 175.22 172.91 1j0k n PHE 117 N 2.38 1.17 -0.06 0.00 7.35 -0.45 -4.95 117.46 122.90 1j0k n PHE 117 Ca -0.16 -3.80 -0.01 0.00 -0.76 0.00 0.00 57.45 52.72 1j0k n PHE 117 Cb 0.55 -0.21 -0.01 0.00 0.35 0.00 0.00 39.48 40.16 1j0k n PHE 117 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1j0k n PRO 118 N 2.20 -0.06 -3.63 -7.13 -0.02 -1.26 -3.08 135.00 122.01 1j0k n PRO 118 Ca 0.25 0.40 -0.12 0.00 -2.02 0.00 0.00 63.50 62.01 1j0k n PRO 118 Cb 0.43 -0.59 -0.05 0.00 -0.02 0.00 0.00 33.50 33.26 1j0k n PRO 118 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1j0k s PHE 119 N -3.86 -0.30 -0.68 6.00 5.36 -1.25 -4.19 117.98 119.05 1j0k s PHE 119 Ca -0.02 0.20 -0.13 0.00 -0.96 0.00 0.00 56.93 56.02 1j0k s PHE 119 Cb 0.01 0.27 0.18 0.00 -0.34 0.00 0.00 43.02 43.14 1j0k s PHE 119 CO 0.08 -0.63 0.62 -0.51 -1.46 0.00 0.00 175.22 173.32 1j0k s LEU 120 N -2.22 6.36 -0.18 6.12 1.43 -1.04 -5.02 118.68 124.13 1j0k s LEU 120 Ca -0.03 -2.34 -0.10 0.00 -1.03 0.00 0.00 54.13 50.63 1j0k s LEU 120 Cb -0.00 -2.17 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 1j0k s LEU 120 CO -0.05 -0.66 0.15 -1.00 0.23 0.00 0.00 176.35 175.02 1j0k s HIS 121 N 0.73 3.44 0.37 0.29 3.76 -1.26 -4.95 115.29 117.66 1j0k s HIS 121 Ca 0.12 0.39 0.06 0.00 -0.15 0.00 0.00 55.06 55.47 1j0k s HIS 121 Cb -0.19 -2.15 0.70 0.00 1.11 0.00 0.00 32.58 32.06 1j0k s HIS 121 CO -0.04 0.35 1.93 -0.09 -0.85 0.00 0.00 174.74 176.05 1j0k h ARG 122 N 6.41 0.48 0.00 1.40 2.43 -1.94 -1.33 114.38 121.84 1j0k h ARG 122 Ca -0.43 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1j0k h ARG 122 Cb 1.16 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1j0k h ARG 122 CO 0.73 0.47 0.00 1.33 -1.51 0.00 0.00 179.97 180.99 1j0k n VAL 123 N -4.33 0.98 0.72 0.20 0.24 -1.26 -2.20 118.33 112.68 1j0k n VAL 123 Ca 0.02 0.27 0.08 0.00 -2.04 0.00 0.00 64.34 62.67 1j0k n VAL 123 Cb 0.20 -1.11 0.05 0.00 -1.47 0.00 0.00 33.84 31.50 1j0k n VAL 123 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1j0k n ASP 124 N -1.83 2.17 -4.76 -1.34 8.00 -0.52 -4.98 116.55 113.30 1j0k n ASP 124 Ca 0.03 -1.58 -0.41 0.00 0.71 0.00 0.00 54.79 53.54 1j0k n ASP 124 Cb 0.18 0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.41 1j0k n ASP 124 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1j0k s LEU 125 N -1.65 4.48 -0.03 0.64 2.96 -0.93 -4.91 118.68 119.23 1j0k s LEU 125 Ca 0.18 2.44 -0.29 0.00 -0.22 0.00 0.00 54.13 56.24 1j0k s LEU 125 Cb 0.14 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 43.17 1j0k s LEU 125 CO 0.28 -0.35 0.94 0.12 -1.32 0.00 0.00 176.35 176.02 1j0k s PHE 126 N -0.93 3.62 -0.15 5.38 2.19 -1.26 -4.91 117.98 121.92 1j0k s PHE 126 Ca 0.48 1.60 -0.04 0.00 0.33 0.00 0.00 56.93 59.30 1j0k s PHE 126 Cb -0.35 -3.08 0.07 0.00 -1.31 0.00 0.00 43.02 38.34 1j0k s PHE 126 CO 0.45 -0.04 0.19 -1.21 1.83 0.00 0.00 175.22 176.44 1j0k s GLU 127 N 1.18 0.11 0.06 10.12 2.02 -1.26 -5.01 118.70 125.92 1j0k s GLU 127 Ca 0.49 0.36 0.01 0.00 0.02 0.00 0.00 54.97 55.84 1j0k s GLU 127 Cb -0.20 -0.81 -0.04 0.00 0.10 0.00 0.00 34.13 33.18 1j0k s GLU 127 CO 0.24 -0.49 0.18 0.00 0.02 0.00 0.00 175.26 175.21 1j0k s ALA 128 N 2.30 3.90 0.52 5.21 0.00 -1.26 -4.97 121.76 127.46 1j0k s ALA 128 Ca 0.04 -0.88 -0.19 0.00 0.00 0.00 0.00 51.96 50.94 1j0k s ALA 128 Cb -0.14 -1.74 -0.11 0.00 0.00 0.00 0.00 23.12 21.13 1j0k s ALA 128 CO -0.09 0.81 0.39 -2.30 0.00 0.00 0.00 175.76 174.56 1j0k n PRO 129 N 0.38 0.41 0.04 0.00 -0.02 -1.26 -4.88 135.00 129.67 1j0k n PRO 129 Ca -0.06 0.16 -0.16 0.00 -2.02 0.00 0.00 63.50 61.41 1j0k n PRO 129 Cb 0.51 -1.51 -0.14 0.00 -0.02 0.00 0.00 33.50 32.35 1j0k n PRO 129 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1j0k h ASP 130 N 0.31 0.34 -0.57 2.55 1.82 -1.96 -3.34 116.42 115.56 1j0k h ASP 130 Ca -0.43 -0.52 0.13 0.00 -0.39 0.00 0.00 57.03 55.81 1j0k h ASP 130 Cb 1.41 -0.11 -0.03 0.00 0.68 0.00 0.00 39.33 41.28 1j0k h ASP 130 CO 0.47 1.44 0.39 4.11 -1.61 0.00 0.00 179.24 184.04 1j0k h TRP 131 N 0.06 0.24 -0.72 0.28 5.08 -1.95 -0.63 115.95 118.32 1j0k h TRP 131 Ca -0.27 0.01 0.10 0.00 1.08 0.00 0.00 58.89 59.80 1j0k h TRP 131 Cb 2.01 -0.08 -0.05 0.00 -3.00 0.00 0.00 29.16 28.05 1j0k h TRP 131 CO 0.06 0.11 0.47 -0.39 -1.28 0.00 0.00 178.44 177.41 1j0k h VAL 132 N 0.22 0.93 0.00 0.12 -1.51 -1.95 -2.28 116.25 111.78 1j0k h VAL 132 Ca 0.27 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.53 1j0k h VAL 132 Cb 0.77 0.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.19 1j0k h VAL 132 CO -0.05 0.11 0.00 0.29 -1.23 0.00 0.00 177.57 176.69 1j0k n LYS 133 N -4.49 0.37 0.00 5.19 5.02 -0.24 -1.88 118.16 122.13 1j0k n LYS 133 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1j0k n LYS 133 Cb 0.35 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1j0k n LYS 133 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1j0k n ASP 134 N -0.96 0.49 -4.90 4.39 8.00 -0.87 -4.68 116.55 118.02 1j0k n ASP 134 Ca 0.08 -1.10 -0.29 0.00 0.71 0.00 0.00 54.79 54.20 1j0k n ASP 134 Cb 0.04 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.21 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 -0.10 2.66 -0.31 -3.53 2.01 -0.79 -4.97 115.64 110.61 1j0k s THR 135 Ca 0.00 0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.14 1j0k s THR 135 Cb 0.00 -3.20 0.15 0.00 0.01 0.00 0.00 72.50 69.47 1j0k s THR 135 CO 0.00 -0.25 0.38 -0.69 -0.69 0.00 0.00 174.62 173.38 1j0k s VAL 136 N -3.42 -0.52 0.68 3.82 1.01 -1.26 -4.35 120.40 116.36 1j0k s VAL 136 Ca 0.60 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.97 1j0k s VAL 136 Cb -0.11 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1j0k s VAL 136 CO 0.49 -0.39 1.06 0.26 0.00 0.00 0.00 175.10 176.52 1j0k s TRP 137 N 2.21 3.07 -0.10 5.22 0.52 0.39 -2.30 118.94 127.94 1j0k s TRP 137 Ca 0.12 1.44 -0.01 0.00 0.02 0.00 0.00 56.10 57.67 1j0k s TRP 137 Cb -0.13 -2.91 0.03 0.00 -1.15 0.00 0.00 33.47 29.31 1j0k s TRP 137 CO -0.24 -1.22 -0.02 -0.47 0.02 0.00 0.00 176.95 175.02 1j0k s TYR 138 N -2.92 1.00 -0.19 -1.98 6.14 0.10 0.28 117.35 119.78 1j0k s TYR 138 Ca 0.59 -0.47 -0.22 0.00 0.64 0.00 0.00 57.07 57.61 1j0k s TYR 138 Cb -0.14 -0.98 -0.02 0.00 0.42 0.00 0.00 41.96 41.23 1j0k s TYR 138 CO 0.51 -0.43 0.69 -1.14 0.64 0.00 0.00 175.55 175.82 1j0k s GLN 139 N 1.86 4.24 0.03 4.97 0.74 -0.50 -1.32 119.66 129.68 1j0k s GLN 139 Ca 0.04 0.74 0.07 0.00 0.05 0.00 0.00 55.36 56.26 1j0k s GLN 139 Cb -0.13 -3.57 -0.03 0.00 1.10 0.00 0.00 33.01 30.37 1j0k s GLN 139 CO -0.07 -0.26 -0.18 0.42 -0.55 0.00 0.00 175.29 174.65 1j0k s ILE 140 N 1.96 2.77 -0.76 -2.34 1.01 -0.39 -2.01 121.20 121.45 1j0k s ILE 140 Ca 0.32 -1.12 -0.02 0.00 0.00 0.00 0.00 60.65 59.82 1j0k s ILE 140 Cb -0.16 -2.14 0.19 0.00 0.01 0.00 0.00 42.46 40.36 1j0k s ILE 140 CO 0.11 0.39 0.61 0.12 0.00 0.00 0.00 174.94 176.17 1j0k s PHE 141 N -0.88 3.65 0.17 3.97 5.36 -1.26 -2.49 117.98 126.50 1j0k s PHE 141 Ca 0.14 -2.87 0.12 0.00 -0.96 0.00 0.00 56.93 53.36 1j0k s PHE 141 Cb -0.10 -3.21 0.59 0.00 -0.34 0.00 0.00 43.02 39.95 1j0k s PHE 141 CO 0.04 -0.78 0.62 -2.30 -1.46 0.00 0.00 175.22 171.35 1j0k n PRO 142 N 2.88 -0.02 0.23 10.12 -0.02 -1.26 0.11 135.00 147.05 1j0k n PRO 142 Ca 0.15 0.51 0.12 0.00 -2.02 0.00 0.00 63.50 62.25 1j0k n PRO 142 Cb 0.38 -0.99 0.48 0.00 -0.02 0.00 0.00 33.50 33.35 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 0.00 -0.52 4.22 -1.86 -2.66 114.58 113.76 1j0k h GLU 143 Ca 0.35 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.79 1j0k h GLU 143 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1j0k h GLU 143 CO -0.20 0.17 -0.01 0.54 -2.18 0.00 0.00 179.01 177.32 1j0k n ARG 144 N -3.30 1.63 -0.08 1.92 5.12 0.31 -1.62 116.66 120.65 1j0k n ARG 144 Ca 0.01 -2.27 -0.07 0.00 -1.93 0.00 0.00 57.85 53.59 1j0k n ARG 144 Cb 0.41 -1.35 -0.03 0.00 -1.16 0.00 0.00 32.46 30.34 1j0k n ARG 144 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1j0k n PHE 145 N -1.17 0.89 -3.64 -1.55 7.35 -1.20 -0.67 117.46 117.47 1j0k n PHE 145 Ca 0.12 0.38 -0.05 0.00 -0.76 0.00 0.00 57.45 57.14 1j0k n PHE 145 Cb 0.55 -0.80 -0.07 0.00 0.35 0.00 0.00 39.48 39.51 1j0k n PHE 145 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1j0k s ALA 146 N -2.69 -2.07 -1.39 3.13 0.00 -1.26 -4.43 121.76 113.04 1j0k s ALA 146 Ca -0.18 2.30 -0.09 0.00 0.00 0.00 0.00 51.96 54.00 1j0k s ALA 146 Cb 0.03 -1.56 -0.06 0.00 0.00 0.00 0.00 23.12 21.52 1j0k s ALA 146 CO 0.28 -0.36 2.91 -1.71 0.00 0.00 0.00 175.76 176.88 1j0k n ASN 147 N 3.95 8.27 -0.28 0.00 5.15 -1.26 -2.62 115.26 128.47 1j0k n ASN 147 Ca -0.19 -2.69 0.27 0.00 -0.60 0.00 0.00 54.58 51.37 1j0k n ASN 147 Cb 0.58 -1.50 0.63 0.00 -0.53 0.00 0.00 39.78 38.96 1j0k n ASN 147 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1j0k h GLY 148 N 6.46 0.57 -6.92 8.20 0.00 -1.83 -3.27 103.07 106.28 1j0k h GLY 148 Ca 0.77 -0.10 -0.61 0.00 0.00 0.00 0.00 47.33 47.39 1j0k h GLY 148 CO 1.57 -0.06 -0.74 0.21 0.00 0.00 0.00 176.54 177.52 1j0k s ASN 149 N -5.35 3.52 0.00 0.19 2.47 -1.26 -4.80 114.94 109.71 1j0k s ASN 149 Ca -0.07 -2.92 0.06 0.00 0.42 0.00 0.00 52.86 50.35 1j0k s ASN 149 Cb 0.24 -1.06 0.34 0.00 -1.45 0.00 0.00 41.25 39.32 1j0k s ASN 149 CO 0.79 -0.22 0.84 -0.81 -3.72 0.00 0.00 177.10 173.99 1j0k n PRO 150 N 3.15 0.17 0.09 0.43 -0.04 -1.24 -2.60 135.00 134.97 1j0k n PRO 150 Ca 0.14 0.03 0.13 0.00 -0.04 0.00 0.00 63.50 63.75 1j0k n PRO 150 Cb 0.37 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.64 1j0k n PRO 150 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1j0k h SER 151 N 0.00 0.00 -0.01 3.54 4.64 -1.93 -3.33 113.55 116.46 1j0k h SER 151 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1j0k h SER 151 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1j0k h SER 151 CO 0.00 0.04 0.00 2.30 -0.87 0.00 0.00 176.83 178.30 1j0k n ILE 152 N -2.24 0.03 -1.45 0.95 -5.35 -1.07 -5.04 119.36 105.18 1j0k n ILE 152 Ca 0.05 -0.51 -0.37 0.00 -0.27 0.00 0.00 62.75 61.64 1j0k n ILE 152 Cb 0.44 1.08 0.06 0.00 -1.74 0.00 0.00 39.64 39.48 1j0k n ILE 152 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1j0k n SER 153 N 0.26 0.02 -4.78 7.28 7.64 -1.25 -4.37 113.62 118.42 1j0k n SER 153 Ca 0.03 0.71 -0.37 0.00 1.01 0.00 0.00 58.87 60.25 1j0k n SER 153 Cb 0.13 -1.33 -0.03 0.00 -1.01 0.00 0.00 64.21 61.97 1j0k n SER 153 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1j0k s PRO 154 N -2.83 4.12 0.01 1.43 0.04 -1.26 -4.94 135.00 131.57 1j0k s PRO 154 Ca 0.72 1.62 -0.33 0.00 0.04 0.00 0.00 61.00 63.06 1j0k s PRO 154 Cb -0.38 -2.59 -0.12 0.00 0.04 0.00 0.00 34.50 31.45 1j0k s PRO 154 CO 0.51 -0.21 1.83 0.39 0.04 0.00 0.00 177.00 179.56 1j0k n GLU 155 N -0.02 2.37 0.00 4.56 -0.58 -1.26 -1.84 120.64 123.88 1j0k n GLU 155 Ca 0.05 0.87 0.00 0.00 -0.42 0.00 0.00 57.16 57.65 1j0k n GLU 155 Cb 0.49 -2.72 0.00 0.00 -0.57 0.00 0.00 31.44 28.63 1j0k n GLU 155 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j0k n GLY 156 N 4.20 0.84 3.41 0.62 0.00 -1.26 -5.08 105.19 107.92 1j0k n GLY 156 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.73 -4.86 1.61 7.64 -0.77 -4.83 113.62 110.68 1j0k n SER 157 Ca 0.00 0.65 -0.30 0.00 1.01 0.00 0.00 58.87 60.23 1j0k n SER 157 Cb 0.00 -1.12 -0.05 0.00 -1.01 0.00 0.00 64.21 62.03 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 -2.14 3.20 -0.16 1.43 1.81 -0.43 -4.98 118.95 117.69 1j0k s ARG 158 Ca 0.64 -0.57 -0.38 0.00 -1.72 0.00 0.00 55.73 53.71 1j0k s ARG 158 Cb -0.41 -2.90 -0.14 0.00 -0.45 0.00 0.00 34.95 31.05 1j0k s ARG 158 CO 0.59 0.58 1.73 -0.35 -0.68 0.00 0.00 175.30 177.17 1j0k n PRO 159 N 0.25 1.51 -0.91 3.54 -0.04 -1.26 -4.61 135.00 133.49 1j0k n PRO 159 Ca -0.07 0.55 -0.34 0.00 -0.04 0.00 0.00 63.50 63.61 1j0k n PRO 159 Cb 0.52 -2.28 -0.09 0.00 -0.04 0.00 0.00 33.50 31.60 1j0k n PRO 159 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 1j0k n TRP 160 N 5.34 0.57 -0.47 0.54 -0.00 -1.26 0.15 117.44 122.31 1j0k n TRP 160 Ca 0.24 0.38 0.00 0.00 -0.00 0.00 0.00 57.50 58.12 1j0k n TRP 160 Cb 0.19 -1.54 0.00 0.00 -0.00 0.00 0.00 31.31 29.96 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 4.63 0.76 0.09 5.87 0.00 -1.26 -5.00 105.19 110.28 1j0k n GLY 161 Ca 0.40 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 46.32 1j0k n GLY 161 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1j0k h SER 162 N 0.00 -0.32 -5.67 1.61 0.87 0.11 -3.47 113.55 106.68 1j0k h SER 162 Ca 0.00 0.04 -0.35 0.00 -1.23 0.00 0.00 61.79 60.24 1j0k h SER 162 Cb 0.00 0.12 -0.10 0.00 -0.44 0.00 0.00 62.40 61.98 1j0k h SER 162 CO 0.00 -0.10 -0.30 -1.83 -0.53 0.00 0.00 176.83 174.07 1j0k s GLU 163 N -3.53 1.87 0.20 2.24 1.03 -1.26 -5.09 118.70 114.16 1j0k s GLU 163 Ca -0.03 -1.87 -0.33 0.00 0.03 0.00 0.00 54.97 52.78 1j0k s GLU 163 Cb 0.01 0.40 -0.13 0.00 -0.80 0.00 0.00 34.13 33.61 1j0k s GLU 163 CO 0.12 -0.75 1.56 -0.25 -1.33 0.00 0.00 175.26 174.61 1j0k n ASP 164 N -1.49 3.21 -4.66 0.83 9.92 -1.26 -4.94 116.55 118.16 1j0k n ASP 164 Ca 0.03 1.10 -0.29 0.00 -0.53 0.00 0.00 54.79 55.10 1j0k n ASP 164 Cb 0.62 -1.46 0.17 0.00 -0.64 0.00 0.00 41.12 39.81 1j0k n ASP 164 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1j0k s PRO 165 N 0.52 0.63 0.38 -0.24 0.04 -1.26 -5.08 135.00 129.99 1j0k s PRO 165 Ca 0.75 0.85 0.03 0.00 0.04 0.00 0.00 61.00 62.67 1j0k s PRO 165 Cb -0.63 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 1j0k s PRO 165 CO 0.41 -2.68 0.09 0.95 0.04 0.00 0.00 177.00 175.81 1j0k s THR 166 N -2.81 0.85 -1.79 1.26 -4.23 -1.26 -4.65 115.64 103.01 1j0k s THR 166 Ca 0.65 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.30 1j0k s THR 166 Cb -0.20 -2.52 0.35 0.00 1.34 0.00 0.00 72.50 71.47 1j0k s THR 166 CO 0.59 0.00 1.31 -0.81 -0.54 0.00 0.00 174.62 175.17 1j0k n PRO 167 N -0.82 0.36 0.00 3.99 -0.04 -1.26 -2.75 135.00 134.47 1j0k n PRO 167 Ca -0.05 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1j0k n PRO 167 Cb 0.66 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1j0k n PRO 167 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1j0k n THR 168 N -1.11 0.00 -1.79 0.52 -2.24 -1.26 -4.73 114.28 103.67 1j0k n THR 168 Ca 0.09 -0.19 -0.32 0.00 -2.27 0.00 0.00 64.05 61.36 1j0k n THR 168 Cb 0.07 1.54 0.04 0.00 -2.10 0.00 0.00 70.33 69.88 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 -0.05 5.36 -0.01 3.42 1.04 -1.11 -4.91 113.70 117.44 1j0k s SER 169 Ca 0.00 1.85 0.01 0.00 0.48 0.00 0.00 55.95 58.29 1j0k s SER 169 Cb 0.00 -2.53 -0.00 0.00 0.10 0.00 0.00 66.02 63.59 1j0k s SER 169 CO 0.00 -1.46 -0.05 -0.36 0.98 0.00 0.00 173.24 172.36 1j0k s PHE 170 N -2.56 0.44 -0.13 5.02 0.08 -1.26 -4.79 117.98 114.78 1j0k s PHE 170 Ca 0.64 -0.08 0.15 0.00 0.12 0.00 0.00 56.93 57.75 1j0k s PHE 170 Cb -0.17 -0.30 0.35 0.00 -0.57 0.00 0.00 43.02 42.33 1j0k s PHE 170 CO 0.43 -0.02 1.17 1.19 -0.10 0.00 0.00 175.22 177.90 1j0k n PHE 171 N 3.04 0.00 -3.63 0.36 3.01 -1.26 -1.31 117.46 117.67 1j0k n PHE 171 Ca -0.14 -1.06 -0.27 0.00 1.01 0.00 0.00 57.45 56.99 1j0k n PHE 171 Cb 0.58 -0.19 -0.01 0.00 -0.01 0.00 0.00 39.48 39.85 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 -0.82 -0.48 3.77 1.37 0.00 -1.26 -4.76 105.19 103.01 1j0k n GLY 172 Ca 0.14 0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.90 2.85 0.26 -0.02 0.00 -0.64 -4.35 107.32 102.53 1j0k s GLY 173 Ca 0.51 0.94 -0.03 0.00 0.00 0.00 0.00 44.72 46.14 1j0k s GLY 173 CO 0.63 1.45 0.31 0.51 0.00 0.00 0.00 173.10 175.99 1j0k s ASP 174 N -1.18 0.45 0.27 1.64 3.84 -1.00 -4.32 116.67 116.37 1j0k s ASP 174 Ca 0.57 -1.34 -0.03 0.00 -0.00 0.00 0.00 52.55 51.75 1j0k s ASP 174 Cb -0.30 0.51 0.36 0.00 -1.38 0.00 0.00 42.92 42.12 1j0k s ASP 174 CO 0.37 -1.04 1.85 -0.07 -0.00 0.00 0.00 175.17 176.28 1j0k h LEU 175 N 2.36 0.89 -1.20 2.11 3.38 -1.51 -2.13 115.31 119.21 1j0k h LEU 175 Ca -0.30 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 57.62 1j0k h LEU 175 Cb 1.25 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 1j0k h LEU 175 CO 0.43 0.79 0.57 -0.61 0.09 0.00 0.00 178.44 179.71 1j0k h GLN 176 N 0.95 0.91 -0.45 1.13 5.75 -1.88 -1.19 115.11 120.33 1j0k h GLN 176 Ca 0.22 -0.05 0.09 0.00 -0.15 0.00 0.00 58.65 58.75 1j0k h GLN 176 Cb 0.18 -0.21 -0.07 0.00 1.07 0.00 0.00 27.48 28.45 1j0k h GLN 176 CO -0.02 0.60 0.01 0.78 -2.65 0.00 0.00 178.83 177.55 1j0k h GLY 177 N 0.94 0.47 0.72 2.39 0.00 -1.40 -0.34 103.07 105.85 1j0k h GLY 177 Ca 0.39 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1j0k h GLY 177 CO -0.15 -0.11 -0.23 -2.22 0.00 0.00 0.00 176.54 173.82 1j0k h ILE 178 N 0.12 0.49 -0.39 2.60 2.04 -1.25 -2.61 117.51 118.51 1j0k h ILE 178 Ca 0.23 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.17 1j0k h ILE 178 Cb 0.33 0.49 -0.09 0.00 -0.74 0.00 0.00 36.82 36.82 1j0k h ILE 178 CO -0.37 0.00 -0.23 0.40 0.00 0.00 0.00 178.15 177.95 1j0k h ILE 179 N -0.50 0.36 -0.47 -0.67 2.04 -1.06 0.91 117.51 118.11 1j0k h ILE 179 Ca -0.00 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.00 1j0k h ILE 179 Cb 0.47 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1j0k h ILE 179 CO -0.06 0.00 0.48 0.44 0.00 0.00 0.00 178.15 179.01 1j0k h ASP 180 N -0.17 0.00 -0.23 1.72 3.32 -0.77 -1.74 116.42 118.56 1j0k h ASP 180 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1j0k h ASP 180 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1j0k h ASP 180 CO -0.49 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.44 1j0k n HIS 181 N -3.78 0.29 -0.34 4.55 8.25 0.22 -4.66 115.22 119.75 1j0k n HIS 181 Ca 0.09 -0.29 0.18 0.00 -0.26 0.00 0.00 57.72 57.43 1j0k n HIS 181 Cb 0.67 -0.01 0.39 0.00 1.12 0.00 0.00 29.99 32.15 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 2.27 0.66 -1.22 2.41 3.38 -0.34 0.20 115.31 122.66 1j0k h LEU 182 Ca 0.00 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1j0k h LEU 182 Cb 0.65 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1j0k h LEU 182 CO 0.00 0.09 0.54 0.44 0.09 0.00 0.00 178.44 179.60 1j0k h ASP 183 N 0.57 0.88 -0.90 -0.43 3.32 -1.83 0.34 116.42 118.37 1j0k h ASP 183 Ca 0.65 -0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.77 1j0k h ASP 183 Cb 1.23 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 40.50 1j0k h ASP 183 CO -0.48 0.61 0.55 0.22 -1.72 0.00 0.00 179.24 178.42 1j0k h TYR 184 N 1.03 1.01 0.00 4.55 3.20 -0.94 0.03 116.97 125.84 1j0k h TYR 184 Ca 0.32 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 62.07 1j0k h TYR 184 Cb 0.00 -0.32 0.01 0.00 1.54 0.00 0.00 36.73 37.96 1j0k h TYR 184 CO -0.00 0.46 -0.58 -0.07 -1.64 0.00 0.00 178.16 176.33 1j0k h LEU 185 N 0.95 0.51 -2.05 2.82 3.38 -1.08 -2.26 115.31 117.57 1j0k h LEU 185 Ca 0.42 -0.76 0.11 0.00 0.09 0.00 0.00 57.88 57.74 1j0k h LEU 185 Cb 0.31 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1j0k h LEU 185 CO -0.22 1.20 0.31 0.58 0.09 0.00 0.00 178.44 180.41 1j0k h VAL 186 N -0.14 0.66 0.11 1.22 2.07 0.07 0.11 116.25 120.35 1j0k h VAL 186 Ca -0.07 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.23 1j0k h VAL 186 Cb 1.29 0.77 0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1j0k h VAL 186 CO 0.11 0.00 -0.92 -0.78 0.02 0.00 0.00 177.57 176.00 1j0k h ASP 187 N 0.00 0.63 -0.89 0.57 3.58 -0.94 -3.32 116.42 116.05 1j0k h ASP 187 Ca 0.18 -0.86 -0.02 0.00 0.42 0.00 0.00 57.03 56.75 1j0k h ASP 187 Cb 0.80 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.61 1j0k h ASP 187 CO -0.00 1.43 0.50 0.25 -2.88 0.00 0.00 179.24 178.54 1j0k h LEU 188 N -0.09 1.11 0.00 2.28 5.85 -0.26 -3.46 115.31 120.74 1j0k h LEU 188 Ca -0.15 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1j0k h LEU 188 Cb 1.67 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1j0k h LEU 188 CO 0.18 0.88 0.00 0.61 -0.34 0.00 0.00 178.44 179.77 1j0k n GLY 189 N -1.16 0.52 3.65 3.75 0.00 -0.08 -4.51 105.19 107.36 1j0k n GLY 189 Ca 0.10 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.63 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 0.09 -0.22 -0.61 2.08 -1.05 -4.83 119.36 114.81 1j0k n ILE 190 Ca 0.00 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.29 1j0k n ILE 190 Cb 0.00 -1.32 0.00 0.00 -0.75 0.00 0.00 39.64 37.57 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 3.40 0.70 -3.64 1.39 -2.24 -0.97 -4.64 114.28 108.27 1j0k n THR 191 Ca 0.19 -0.74 -0.08 0.00 -2.27 0.00 0.00 64.05 61.14 1j0k n THR 191 Cb 0.25 0.67 -0.07 0.00 -2.10 0.00 0.00 70.33 69.08 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 -0.70 -0.61 -0.17 3.38 0.00 -1.20 -1.63 107.32 106.39 1j0k s GLY 192 Ca 0.00 2.33 0.01 0.00 0.00 0.00 0.00 44.72 47.06 1j0k s GLY 192 CO 0.00 2.27 -0.18 -0.42 0.00 0.00 0.00 173.10 174.77 1j0k s ILE 193 N 1.42 2.29 -0.22 0.90 1.01 0.20 0.02 121.20 126.82 1j0k s ILE 193 Ca -0.08 -0.88 -0.06 0.00 0.00 0.00 0.00 60.65 59.63 1j0k s ILE 193 Cb -0.05 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1j0k s ILE 193 CO -0.16 0.53 0.03 -0.47 0.00 0.00 0.00 174.94 174.86 1j0k s TYR 194 N 1.13 3.07 -0.00 3.97 5.04 -0.44 -0.63 117.35 129.50 1j0k s TYR 194 Ca 0.01 -0.42 0.01 0.00 -2.44 0.00 0.00 57.07 54.23 1j0k s TYR 194 Cb -0.14 -2.14 -0.04 0.00 0.35 0.00 0.00 41.96 39.99 1j0k s TYR 194 CO -0.07 -0.27 0.02 -0.51 -1.34 0.00 0.00 175.55 173.38 1j0k s LEU 195 N 1.20 3.60 0.00 6.97 1.43 0.62 -1.26 118.68 131.24 1j0k s LEU 195 Ca 0.04 0.03 -0.16 0.00 -1.03 0.00 0.00 54.13 53.00 1j0k s LEU 195 Cb -0.14 -2.07 0.22 0.00 0.03 0.00 0.00 46.19 44.23 1j0k s LEU 195 CO 0.02 0.28 1.11 0.35 0.23 0.00 0.00 176.35 178.34 1j0k n THR 196 N 1.35 0.00 -1.51 5.49 -2.24 -1.04 -2.40 114.28 113.93 1j0k n THR 196 Ca -0.14 -0.71 -0.44 0.00 -2.27 0.00 0.00 64.05 60.48 1j0k n THR 196 Cb 0.53 -1.44 -0.01 0.00 -2.10 0.00 0.00 70.33 67.30 1j0k n THR 196 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1j0k n PRO 197 N -3.83 0.86 0.00 -0.78 -0.02 -1.26 -4.35 135.00 125.61 1j0k n PRO 197 Ca 0.14 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1j0k n PRO 197 Cb 0.51 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 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 -0.14 0.19 -2.52 4.25 -5.35 -1.26 -4.82 119.36 109.71 1j0k n ILE 198 Ca 0.12 -0.25 -0.26 0.00 -0.27 0.00 0.00 62.75 62.09 1j0k n ILE 198 Cb 0.33 1.18 0.03 0.00 -1.74 0.00 0.00 39.64 39.43 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 -0.19 3.27 -0.08 4.28 0.08 -1.26 -1.00 117.98 123.08 1j0k s PHE 199 Ca 0.00 0.58 -0.37 0.00 0.12 0.00 0.00 56.93 57.26 1j0k s PHE 199 Cb 0.00 -2.63 -0.15 0.00 -0.57 0.00 0.00 43.02 39.67 1j0k s PHE 199 CO 0.00 -0.70 1.63 -2.13 -0.10 0.00 0.00 175.22 173.92 1j0k n ARG 200 N -2.47 1.47 -3.64 0.44 0.63 0.79 -4.09 116.66 109.80 1j0k n ARG 200 Ca 0.04 0.54 -0.05 0.00 -0.92 0.00 0.00 57.85 57.45 1j0k n ARG 200 Cb 0.57 -2.25 -0.07 0.00 0.45 0.00 0.00 32.46 31.17 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 2.39 -0.86 0.59 6.15 0.15 -1.26 -0.69 113.70 120.17 1j0k s SER 201 Ca 0.91 1.35 0.29 0.00 0.70 0.00 0.00 55.95 59.20 1j0k s SER 201 Cb -0.92 1.44 1.42 0.00 -1.71 0.00 0.00 66.02 66.26 1j0k s SER 201 CO 0.54 -0.21 1.83 1.55 1.20 0.00 0.00 173.24 178.14 1j0k h PRO 202 N 6.90 0.00 -7.71 5.44 0.13 -1.94 -3.44 132.00 131.39 1j0k h PRO 202 Ca -0.28 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.40 1j0k h PRO 202 Cb 1.21 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.48 1j0k h PRO 202 CO 0.16 0.00 0.38 -1.54 -0.23 0.00 0.00 178.00 176.77 1j0k s SER 203 N -5.01 3.46 0.00 1.44 1.04 -1.26 -4.98 113.70 108.39 1j0k s SER 203 Ca -0.04 0.26 0.24 0.00 0.48 0.00 0.00 55.95 56.88 1j0k s SER 203 Cb 0.16 -0.41 0.38 0.00 0.10 0.00 0.00 66.02 66.25 1j0k s SER 203 CO 0.55 -2.51 1.38 -0.46 0.98 0.00 0.00 173.24 173.17 1j0k n ASN 204 N -3.59 3.26 -0.01 7.02 6.94 -1.26 -4.00 115.26 123.63 1j0k n ASN 204 Ca 0.14 -1.98 0.01 0.00 -0.02 0.00 0.00 54.58 52.73 1j0k n ASN 204 Cb 0.60 -0.17 -0.03 0.00 -2.36 0.00 0.00 39.78 37.81 1j0k n ASN 204 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1j0k n HIS 205 N 1.41 0.00 -1.62 -2.53 1.44 -1.26 -4.75 115.22 107.91 1j0k n HIS 205 Ca 0.18 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.72 1j0k n HIS 205 Cb 0.60 -0.12 -0.06 0.00 0.12 0.00 0.00 29.99 30.52 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 -1.77 -1.18 0.00 -1.40 4.01 -1.26 -4.49 118.16 112.08 1j0k n LYS 206 Ca -0.02 1.04 0.15 0.00 -0.51 0.00 0.00 58.31 58.96 1j0k n LYS 206 Cb 0.23 -5.28 0.74 0.00 -0.51 0.00 0.00 35.03 30.22 1j0k n LYS 206 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1j0k n TYR 207 N -2.76 0.00 -3.57 2.13 4.01 -1.26 -4.14 117.16 111.57 1j0k n TYR 207 Ca -0.17 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.22 1j0k n TYR 207 Cb 0.56 -0.24 -0.06 0.00 -0.31 0.00 0.00 39.34 39.28 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 -1.20 4.25 -4.57 7.72 5.75 -1.26 -4.88 116.55 122.36 1j0k n ASP 208 Ca 0.15 -3.22 -0.42 0.00 -0.01 0.00 0.00 54.79 51.30 1j0k n ASP 208 Cb 0.24 -0.99 0.01 0.00 -1.03 0.00 0.00 41.12 39.35 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 1.94 2.30 -0.03 2.12 -1.04 -1.26 -4.31 114.28 114.01 1j0k n THR 209 Ca 0.23 -0.50 -0.03 0.00 -2.04 0.00 0.00 64.05 61.71 1j0k n THR 209 Cb 0.37 -0.98 -0.05 0.00 -1.82 0.00 0.00 70.33 67.85 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 -0.58 1.84 -3.15 2.41 0.00 0.14 -0.98 120.51 120.19 1j0k n ALA 210 Ca 0.10 -0.42 0.04 0.00 0.00 0.00 0.00 53.44 53.16 1j0k n ALA 210 Cb 0.39 0.13 -0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -3.89 -1.45 0.27 0.00 3.68 -1.22 -4.05 116.67 110.00 1j0k s ASP 211 Ca -0.04 0.41 0.18 0.00 2.13 0.00 0.00 52.55 55.23 1j0k s ASP 211 Cb 0.02 2.02 0.98 0.00 -1.45 0.00 0.00 42.92 44.49 1j0k s ASP 211 CO 0.26 -0.27 1.56 -1.22 0.13 0.00 0.00 175.17 175.64 1j0k n TYR 212 N 5.41 0.62 -0.19 -5.34 4.02 -1.26 -1.72 117.16 118.70 1j0k n TYR 212 Ca 0.03 0.32 0.09 0.00 -0.01 0.00 0.00 57.90 58.33 1j0k n TYR 212 Cb 0.53 -1.01 0.23 0.00 -0.02 0.00 0.00 39.34 39.07 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 -2.14 0.69 -4.73 -0.72 3.01 -1.26 -4.92 117.46 107.39 1j0k n PHE 213 Ca -0.01 -0.45 -0.29 0.00 1.01 0.00 0.00 57.45 57.70 1j0k n PHE 213 Cb 0.04 -0.01 -0.17 0.00 -0.01 0.00 0.00 39.48 39.33 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 -1.05 2.48 0.04 -1.08 0.41 -0.70 -5.08 118.70 113.72 1j0k s GLU 214 Ca 0.36 -0.67 -0.30 0.00 -0.41 0.00 0.00 54.97 53.95 1j0k s GLU 214 Cb 0.19 -2.00 -0.05 0.00 -1.78 0.00 0.00 34.13 30.49 1j0k s GLU 214 CO 0.25 0.03 1.22 0.08 -0.49 0.00 0.00 175.26 176.35 1j0k s VAL 215 N 0.72 4.02 0.01 2.63 1.01 -1.26 -0.15 120.40 127.38 1j0k s VAL 215 Ca -0.12 1.44 -0.37 0.00 0.00 0.00 0.00 61.98 62.93 1j0k s VAL 215 Cb -0.16 -3.92 -0.16 0.00 0.00 0.00 0.00 36.38 32.14 1j0k s VAL 215 CO 0.02 0.09 1.50 -0.67 0.00 0.00 0.00 175.10 176.04 1j0k n ASP 216 N 4.21 2.16 -0.32 3.32 2.03 -0.17 -4.49 116.55 123.30 1j0k n ASP 216 Ca 0.10 1.09 0.09 0.00 0.52 0.00 0.00 54.79 56.58 1j0k n ASP 216 Cb 0.46 -1.23 0.25 0.00 -0.72 0.00 0.00 41.12 39.88 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 5.68 0.67 0.00 -0.67 0.13 -1.92 -0.05 132.00 135.85 1j0k h PRO 217 Ca -0.47 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1j0k h PRO 217 Cb 1.31 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1j0k h PRO 217 CO 0.85 0.45 0.00 0.72 -0.23 0.00 0.00 178.00 179.78 1j0k n HIS 218 N -4.82 0.00 -0.10 1.56 8.25 -1.26 -2.01 115.22 116.84 1j0k n HIS 218 Ca 0.19 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.53 1j0k n HIS 218 Cb 0.46 -0.41 -0.13 0.00 1.12 0.00 0.00 29.99 31.03 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 -1.41 0.00 -0.18 4.41 3.72 -0.11 -4.53 117.46 119.35 1j0k n PHE 219 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1j0k n PHE 219 Cb 0.12 -0.89 0.00 0.00 -0.94 0.00 0.00 39.48 37.77 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 2.10 -0.08 3.25 1.37 0.00 -0.74 -1.38 105.19 109.71 1j0k n GLY 220 Ca -0.34 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 44.47 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 0.94 0.22 1.61 1.47 -1.26 -4.07 116.67 111.59 1j0k s ASP 221 Ca 0.00 -1.28 -0.17 0.00 1.18 0.00 0.00 52.55 52.28 1j0k s ASP 221 Cb 0.00 0.19 0.23 0.00 -0.34 0.00 0.00 42.92 43.01 1j0k s ASP 221 CO 0.00 -0.68 1.56 0.11 0.68 0.00 0.00 175.17 176.84 1j0k h LYS 222 N 2.60 -0.04 -0.65 2.11 1.79 -1.98 0.20 116.57 120.60 1j0k h LYS 222 Ca -0.37 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 58.24 1j0k h LYS 222 Cb 1.22 0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 31.78 1j0k h LYS 222 CO 0.60 -0.03 0.06 1.49 -1.08 0.00 0.00 179.45 180.50 1j0k h GLU 223 N -0.04 0.17 -0.11 3.15 4.81 -2.01 0.39 114.58 120.94 1j0k h GLU 223 Ca 0.33 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.51 1j0k h GLU 223 Cb 0.60 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1j0k h GLU 223 CO -0.90 0.11 -0.14 1.15 -0.73 0.00 0.00 179.01 178.50 1j0k h THR 224 N 0.17 1.16 -0.29 0.32 2.02 -1.04 -2.75 112.91 112.52 1j0k h THR 224 Ca 0.35 -0.72 -0.11 0.00 0.77 0.00 0.00 66.41 66.69 1j0k h THR 224 Cb 0.57 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1j0k h THR 224 CO -0.51 0.22 -0.26 0.25 0.37 0.00 0.00 175.52 175.60 1j0k h LEU 225 N 0.16 0.72 0.16 2.58 5.85 0.08 -2.18 115.31 122.67 1j0k h LEU 225 Ca 0.03 -0.46 0.01 0.00 0.84 0.00 0.00 57.88 58.30 1j0k h LEU 225 Cb 0.35 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 1j0k h LEU 225 CO 0.02 1.03 -0.49 0.11 -0.34 0.00 0.00 178.44 178.77 1j0k h LYS 226 N 0.42 -0.72 -0.98 1.25 1.79 -1.08 0.22 116.57 117.47 1j0k h LYS 226 Ca 0.05 0.05 0.14 0.00 -2.18 0.00 0.00 60.65 58.71 1j0k h LYS 226 Cb 0.82 0.16 -0.08 0.00 -1.58 0.00 0.00 32.23 31.55 1j0k h LYS 226 CO 0.06 -0.48 0.62 0.00 -1.08 0.00 0.00 179.45 178.57 1j0k h THR 227 N -0.75 0.87 -0.33 -0.16 1.03 -1.53 1.65 112.91 113.69 1j0k h THR 227 Ca -0.00 -0.31 -0.03 0.00 -0.01 0.00 0.00 66.41 66.07 1j0k h THR 227 Cb 0.75 -0.10 -0.01 0.00 -1.07 0.00 0.00 68.15 67.71 1j0k h THR 227 CO -0.25 0.16 0.10 0.25 -0.01 0.00 0.00 175.52 175.77 1j0k h LEU 228 N 0.89 0.48 -0.19 0.00 5.85 -0.70 0.27 115.31 121.91 1j0k h LEU 228 Ca 0.50 -0.21 -0.09 0.00 0.84 0.00 0.00 57.88 58.92 1j0k h LEU 228 Cb 0.61 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 1j0k h LEU 228 CO -0.27 0.56 -0.25 0.40 -0.34 0.00 0.00 178.44 178.54 1j0k h ILE 229 N 0.38 1.34 -0.60 4.05 2.04 0.12 -0.72 117.51 124.12 1j0k h ILE 229 Ca 0.11 -1.45 -0.06 0.00 1.00 0.00 0.00 64.86 64.46 1j0k h ILE 229 Cb 0.25 1.84 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 1j0k h ILE 229 CO -0.00 0.44 0.15 0.44 0.00 0.00 0.00 178.15 179.18 1j0k h ASP 230 N 0.16 0.87 0.02 1.72 3.32 0.24 0.85 116.42 123.60 1j0k h ASP 230 Ca 0.02 -0.16 -0.12 0.00 0.02 0.00 0.00 57.03 56.78 1j0k h ASP 230 Cb 0.82 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1j0k h ASP 230 CO 0.06 0.84 -0.40 -0.09 -1.72 0.00 0.00 179.24 177.94 1j0k h ARG 231 N 0.89 0.48 -0.47 3.56 9.65 -0.43 -2.75 114.38 125.32 1j0k h ARG 231 Ca 0.19 -0.24 -0.10 0.00 -1.10 0.00 0.00 59.98 58.74 1j0k h ARG 231 Cb 0.32 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.88 1j0k h ARG 231 CO -0.00 0.80 -0.09 0.00 2.80 0.00 0.00 179.97 183.48 1j0k h HIS 233 N 0.76 1.20 0.00 0.00 3.86 -0.58 0.25 115.15 120.63 1j0k h HIS 233 Ca 0.13 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1j0k h HIS 233 Cb 0.59 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1j0k h HIS 233 CO 0.03 0.97 0.00 1.05 0.86 0.00 0.00 177.93 180.84 1j0k h GLU 234 N 1.08 0.00 -0.62 2.45 4.11 -1.40 -0.73 114.58 119.47 1j0k h GLU 234 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.65 1j0k h GLU 234 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1j0k h GLU 234 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.71 1j0k n LYS 235 N -3.06 3.04 -3.61 1.06 4.76 -1.05 -4.93 118.16 114.37 1j0k n LYS 235 Ca 0.02 -2.19 -0.24 0.00 -2.87 0.00 0.00 58.31 53.03 1j0k n LYS 235 Cb 0.38 -1.73 0.08 0.00 -1.84 0.00 0.00 35.03 31.92 1j0k n LYS 235 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1j0k n GLY 236 N 0.99 -0.53 3.27 0.72 0.00 -0.28 -4.99 105.19 104.36 1j0k n GLY 236 Ca 0.20 0.24 -0.32 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.32 2.12 0.25 -0.61 1.01 0.84 -4.76 121.20 116.74 1j0k s ILE 237 Ca 0.56 -1.04 -0.15 0.00 0.00 0.00 0.00 60.65 60.02 1j0k s ILE 237 Cb -0.25 -1.78 -0.08 0.00 0.01 0.00 0.00 42.46 40.36 1j0k s ILE 237 CO 0.74 0.57 0.67 -0.13 0.00 0.00 0.00 174.94 176.79 1j0k s ARG 238 N -0.08 4.02 -0.13 2.79 1.81 -0.64 -3.80 118.95 122.93 1j0k s ARG 238 Ca -0.06 0.62 0.02 0.00 -1.72 0.00 0.00 55.73 54.59 1j0k s ARG 238 Cb -0.14 -2.65 -0.00 0.00 -0.45 0.00 0.00 34.95 31.70 1j0k s ARG 238 CO 0.05 0.29 -0.19 0.08 -0.68 0.00 0.00 175.30 174.85 1j0k s VAL 239 N -1.76 2.45 -0.13 3.52 1.01 -1.26 0.60 120.40 124.82 1j0k s VAL 239 Ca 0.48 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1j0k s VAL 239 Cb -0.13 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.28 1j0k s VAL 239 CO 0.19 0.54 -0.17 -0.32 0.00 0.00 0.00 175.10 175.35 1j0k s MET 240 N 0.52 2.46 0.18 2.72 1.75 0.20 0.59 119.30 127.71 1j0k s MET 240 Ca -0.12 -0.64 -0.04 0.00 -1.25 0.00 0.00 55.69 53.64 1j0k s MET 240 Cb -0.17 -2.12 -0.05 0.00 2.84 0.00 0.00 34.83 35.34 1j0k s MET 240 CO 0.05 -0.12 0.41 -0.51 -0.65 0.00 0.00 175.02 174.19 1j0k s LEU 241 N 1.14 4.23 -0.29 4.11 1.43 -0.91 -0.28 118.68 128.11 1j0k s LEU 241 Ca -0.02 0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 53.52 1j0k s LEU 241 Cb -0.14 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 1j0k s LEU 241 CO -0.06 -0.01 0.28 -0.62 0.23 0.00 0.00 176.35 176.18 1j0k s ASP 242 N -2.72 6.13 -0.21 2.29 3.68 -1.01 -0.97 116.67 123.86 1j0k s ASP 242 Ca 0.41 0.05 -0.05 0.00 2.13 0.00 0.00 52.55 55.08 1j0k s ASP 242 Cb -0.12 -2.16 -0.02 0.00 -1.45 0.00 0.00 42.92 39.17 1j0k s ASP 242 CO 0.26 -0.15 0.01 0.00 0.13 0.00 0.00 175.17 175.43 1j0k s ALA 243 N 1.91 3.05 -0.70 3.66 0.00 -0.88 -4.30 121.76 124.49 1j0k s ALA 243 Ca 0.10 -1.02 -0.15 0.00 0.00 0.00 0.00 51.96 50.90 1j0k s ALA 243 Cb -0.16 -1.83 0.18 0.00 0.00 0.00 0.00 23.12 21.31 1j0k s ALA 243 CO 0.11 -0.22 0.65 0.08 0.00 0.00 0.00 175.76 176.38 1j0k s VAL 244 N 1.13 5.43 -0.42 0.00 1.01 -1.26 -2.07 120.40 124.22 1j0k s VAL 244 Ca 0.03 -2.04 0.21 0.00 0.00 0.00 0.00 61.98 60.17 1j0k s VAL 244 Cb -0.14 -4.42 -0.29 0.00 0.00 0.00 0.00 36.38 31.53 1j0k s VAL 244 CO 0.02 -0.96 0.63 0.49 0.00 0.00 0.00 175.10 175.27 1j0k n PHE 245 N 4.55 0.00 -0.20 5.22 3.72 -1.26 -4.40 117.46 125.08 1j0k n PHE 245 Ca 0.02 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.33 1j0k n PHE 245 Cb 0.44 -0.28 0.03 0.00 -0.94 0.00 0.00 39.48 38.73 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 1.04 -5.21 4.37 -1.24 -1.85 -3.41 115.58 109.27 1j0k h ASN 246 Ca 0.00 -0.31 -0.11 0.00 0.71 0.00 0.00 56.30 56.59 1j0k h ASN 246 Cb 0.77 -0.28 -0.15 0.00 0.73 0.00 0.00 38.32 39.39 1j0k h ASN 246 CO 0.00 1.10 -0.57 -1.38 -1.29 0.00 0.00 177.43 175.30 1j0k s HIS 247 N -4.96 0.40 0.06 0.67 -3.43 -1.26 -0.88 115.29 105.88 1j0k s HIS 247 Ca -0.11 -0.90 0.00 0.00 -0.80 0.00 0.00 55.06 53.25 1j0k s HIS 247 Cb 0.13 -0.27 0.00 0.00 -1.43 0.00 0.00 32.58 31.02 1j0k s HIS 247 CO 0.86 -0.44 0.03 0.00 -2.00 0.00 0.00 174.74 173.19 1j0k s GLY 249 N -1.68 1.79 0.64 0.00 0.00 -0.15 -3.02 107.32 104.90 1j0k s GLY 249 Ca 0.03 -1.28 0.23 0.00 0.00 0.00 0.00 44.72 43.69 1j0k s GLY 249 CO 0.02 -1.27 1.63 -1.82 0.00 0.00 0.00 173.10 171.66 1j0k h TYR 250 N 3.28 0.00 -0.01 1.90 3.20 -1.23 0.74 116.97 124.85 1j0k h TYR 250 Ca -0.48 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.39 1j0k h TYR 250 Cb 1.18 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.45 1j0k h TYR 250 CO 0.61 0.00 -0.29 0.39 -1.64 0.00 0.00 178.16 177.24 1j0k n GLU 251 N -3.03 1.04 -1.67 1.82 1.02 -1.26 -4.39 120.64 114.17 1j0k n GLU 251 Ca 0.04 -0.70 -0.42 0.00 -0.02 0.00 0.00 57.16 56.05 1j0k n GLU 251 Cb 0.72 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.63 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 -2.44 1.27 0.20 -0.32 5.36 0.26 -4.85 117.98 117.46 1j0k s PHE 252 Ca 0.24 -0.19 -0.14 0.00 -0.96 0.00 0.00 56.93 55.88 1j0k s PHE 252 Cb 0.19 -4.16 0.23 0.00 -0.34 0.00 0.00 43.02 38.94 1j0k s PHE 252 CO 0.51 -5.14 1.33 0.00 -1.46 0.00 0.00 175.22 170.47 1j0k n ALA 253 N 8.59 -0.07 -0.35 11.12 0.00 -1.26 -0.85 120.51 137.70 1j0k n ALA 253 Ca 0.22 0.87 0.08 0.00 0.00 0.00 0.00 53.44 54.61 1j0k n ALA 253 Cb 0.42 -0.40 0.26 0.00 0.00 0.00 0.00 19.45 19.73 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 0.92 -0.14 0.00 0.11 -1.94 -2.17 132.00 128.78 1j0k h PRO 254 Ca 0.31 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.30 1j0k h PRO 254 Cb 0.53 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 1j0k h PRO 254 CO -0.86 0.61 -0.16 0.35 -0.21 0.00 0.00 178.00 177.73 1j0k h PHE 255 N 0.94 0.43 -0.83 0.65 3.57 -1.34 -2.76 116.94 117.61 1j0k h PHE 255 Ca 0.50 -0.13 0.17 0.00 3.53 0.00 0.00 57.97 62.03 1j0k h PHE 255 Cb 0.54 -0.09 -0.11 0.00 2.79 0.00 0.00 35.95 39.09 1j0k h PHE 255 CO -0.00 0.77 0.35 1.96 -2.23 0.00 0.00 178.31 179.15 1j0k h GLN 256 N -0.03 0.44 -0.41 1.11 1.08 -1.02 0.99 115.11 117.26 1j0k h GLN 256 Ca 0.02 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1j0k h GLN 256 Cb 0.70 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.01 1j0k h GLN 256 CO 0.04 0.29 0.26 0.22 -0.95 0.00 0.00 178.83 178.69 1j0k h ASP 257 N 0.45 0.44 0.13 1.46 3.58 -1.27 -0.67 116.42 120.54 1j0k h ASP 257 Ca 0.48 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.88 1j0k h ASP 257 Cb 0.79 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.73 1j0k h ASP 257 CO -0.45 0.32 -0.16 0.58 -2.88 0.00 0.00 179.24 176.65 1j0k h VAL 258 N 0.53 1.14 0.00 2.25 2.07 -0.85 -0.19 116.25 121.21 1j0k h VAL 258 Ca 0.15 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1j0k h VAL 258 Cb -0.04 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1j0k h VAL 258 CO -0.05 0.19 0.00 1.87 0.02 0.00 0.00 177.57 179.61 1j0k n TRP 259 N -4.31 0.00 -0.01 1.57 -0.00 0.19 -1.93 117.44 112.94 1j0k n TRP 259 Ca -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.46 1j0k n TRP 259 Cb 0.25 -0.09 -0.01 0.00 -0.00 0.00 0.00 31.31 31.46 1j0k n TRP 259 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1j0k n LYS 260 N -1.09 0.37 -0.68 5.87 4.76 -0.20 -4.79 118.16 122.41 1j0k n LYS 260 Ca 0.14 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 1j0k n LYS 260 Cb 0.10 -1.06 0.23 0.00 -1.84 0.00 0.00 35.03 32.46 1j0k n LYS 260 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1j0k n ASN 261 N -2.54 3.24 0.00 4.39 3.02 -0.53 -5.06 115.26 117.78 1j0k n ASN 261 Ca -0.05 -3.41 0.00 0.00 -0.03 0.00 0.00 54.58 51.09 1j0k n ASN 261 Cb 0.55 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 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 -0.83 0.63 0.32 7.41 0.00 -0.81 -0.86 105.19 111.04 1j0k n GLY 262 Ca 0.30 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.45 1j0k n GLY 262 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1j0k h GLU 263 N 0.00 0.00 0.00 1.61 4.81 -1.96 0.27 114.58 119.31 1j0k h GLU 263 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1j0k h GLU 263 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1j0k h GLU 263 CO 0.00 0.00 -0.53 -1.13 -0.73 0.00 0.00 179.01 176.62 1j0k n SER 264 N -2.85 0.60 -4.63 1.04 3.41 -0.04 -4.91 113.62 106.23 1j0k n SER 264 Ca -0.02 0.05 -0.47 0.00 -0.26 0.00 0.00 58.87 58.17 1j0k n SER 264 Cb 0.35 0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 1j0k n SER 264 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1j0k n SER 265 N -1.90 2.19 0.00 4.04 2.88 0.93 -4.78 113.62 116.98 1j0k n SER 265 Ca 0.04 1.13 0.07 0.00 -1.33 0.00 0.00 58.87 58.79 1j0k n SER 265 Cb 0.40 -1.33 0.43 0.00 -0.75 0.00 0.00 64.21 62.96 1j0k n SER 265 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1j0k n LYS 266 N 2.20 0.42 0.00 -1.46 4.81 -1.26 -2.58 118.16 120.28 1j0k n LYS 266 Ca 0.14 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 1j0k n LYS 266 Cb 0.27 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.82 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 -1.05 0.00 0.15 5.64 4.01 -1.26 -4.78 117.16 119.87 1j0k n TYR 267 Ca 0.10 -0.25 0.09 0.00 -0.16 0.00 0.00 57.90 57.69 1j0k n TYR 267 Cb 0.06 -0.03 0.51 0.00 -0.31 0.00 0.00 39.34 39.57 1j0k n TYR 267 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1j0k n LYS 268 N -0.25 0.12 -0.31 -0.72 -0.00 -1.07 -1.57 118.16 114.36 1j0k n LYS 268 Ca 0.00 0.62 0.10 0.00 -0.00 0.00 0.00 58.31 59.02 1j0k n LYS 268 Cb 0.31 -1.93 0.27 0.00 -0.00 0.00 0.00 35.03 33.68 1j0k n LYS 268 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1j0k n ASP 269 N -2.16 3.25 -0.92 -5.58 9.92 -1.26 -3.90 116.55 115.90 1j0k n ASP 269 Ca -0.01 -2.01 0.12 0.00 -0.53 0.00 0.00 54.79 52.36 1j0k n ASP 269 Cb 0.06 -0.41 0.24 0.00 -0.64 0.00 0.00 41.12 40.38 1j0k n ASP 269 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 1j0k n TRP 270 N 1.27 0.25 -4.22 1.24 7.02 -0.61 -4.69 117.44 117.69 1j0k n TRP 270 Ca 0.20 -0.12 -0.13 0.00 -1.02 0.00 0.00 57.50 56.43 1j0k n TRP 270 Cb 0.51 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.31 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 -1.75 1.27 -1.08 -5.99 0.08 -1.25 -1.79 117.98 107.46 1j0k s PHE 271 Ca 0.34 -1.40 -0.06 0.00 0.12 0.00 0.00 56.93 55.94 1j0k s PHE 271 Cb 0.21 -0.61 0.30 0.00 -0.57 0.00 0.00 43.02 42.34 1j0k s PHE 271 CO 0.30 -0.64 1.33 0.72 -0.10 0.00 0.00 175.22 176.84 1j0k n HIS 272 N -0.34 3.39 -3.14 0.36 8.25 -1.22 -4.73 115.22 117.79 1j0k n HIS 272 Ca 0.02 -3.11 -0.39 0.00 -0.26 0.00 0.00 57.72 53.99 1j0k n HIS 272 Cb 0.66 -1.40 -0.06 0.00 1.12 0.00 0.00 29.99 30.31 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 -2.24 4.83 -0.18 1.59 1.01 -1.26 -1.41 121.20 123.54 1j0k s ILE 273 Ca 0.31 1.36 0.11 0.00 0.00 0.00 0.00 60.65 62.43 1j0k s ILE 273 Cb -0.01 -3.98 -0.23 0.00 0.01 0.00 0.00 42.46 38.25 1j0k s ILE 273 CO 0.03 0.42 0.14 1.41 0.00 0.00 0.00 174.94 176.95 1j0k n HIS 274 N 2.62 0.30 -3.77 3.97 8.25 -0.65 -5.00 115.22 120.95 1j0k n HIS 274 Ca -0.06 0.09 -0.13 0.00 -0.26 0.00 0.00 57.72 57.36 1j0k n HIS 274 Cb 0.51 -1.05 -0.09 0.00 1.12 0.00 0.00 29.99 30.48 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 -2.52 0.64 0.02 -0.41 8.01 -1.25 -5.11 118.70 118.08 1j0k s GLU 275 Ca -0.16 -0.17 0.05 0.00 0.01 0.00 0.00 54.97 54.70 1j0k s GLU 275 Cb 0.07 0.28 -0.03 0.00 -4.31 0.00 0.00 34.13 30.14 1j0k s GLU 275 CO 0.77 -0.17 -0.10 -0.06 0.01 0.00 0.00 175.26 175.71 1j0k s PHE 276 N -1.25 2.78 0.66 1.61 0.08 -1.26 -4.06 117.98 116.54 1j0k s PHE 276 Ca -0.13 -0.12 -0.11 0.00 0.12 0.00 0.00 56.93 56.70 1j0k s PHE 276 Cb -0.05 -1.55 -0.00 0.00 -0.57 0.00 0.00 43.02 40.84 1j0k s PHE 276 CO 0.04 0.33 1.05 -1.25 -0.10 0.00 0.00 175.22 175.29 1j0k s PRO 277 N -1.46 3.07 0.65 0.24 0.04 -1.26 -5.02 135.00 131.25 1j0k s PRO 277 Ca 0.17 0.47 -0.17 0.00 0.04 0.00 0.00 61.00 61.50 1j0k s PRO 277 Cb -0.11 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 1j0k s PRO 277 CO 0.07 -0.86 0.66 1.28 0.04 0.00 0.00 177.00 178.20 1j0k n LEU 278 N -2.87 1.72 -3.69 -3.56 4.32 -1.26 -5.02 117.00 106.64 1j0k n LEU 278 Ca 0.06 0.69 -0.15 0.00 -0.02 0.00 0.00 56.01 56.59 1j0k n LEU 278 Cb 0.56 -1.26 -0.08 0.00 -1.62 0.00 0.00 43.42 41.03 1j0k n LEU 278 CO 0.57 -2.72 0.15 -1.10 -1.22 0.00 0.00 177.39 173.07 1j0k s GLN 279 N -2.60 0.78 -0.00 3.23 -1.52 -1.26 -5.01 119.66 113.27 1j0k s GLN 279 Ca 0.70 -0.02 0.00 0.00 -1.95 0.00 0.00 55.36 54.09 1j0k s GLN 279 Cb -0.39 0.36 -0.00 0.00 -0.22 0.00 0.00 33.01 32.75 1j0k s GLN 279 CO 0.53 -0.22 0.00 0.25 -0.25 0.00 0.00 175.29 175.60 1j0k n THR 280 N 1.24 0.00 -5.11 -0.19 -2.24 -1.26 -0.86 114.28 105.86 1j0k n THR 280 Ca -0.20 -0.37 -0.28 0.00 -2.27 0.00 0.00 64.05 60.92 1j0k n THR 280 Cb 0.56 0.87 -0.16 0.00 -2.10 0.00 0.00 70.33 69.51 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 -1.25 1.85 0.49 -0.78 0.41 -1.26 -2.61 118.70 115.55 1j0k s GLU 281 Ca 0.00 -0.80 0.18 0.00 -0.41 0.00 0.00 54.97 53.94 1j0k s GLU 281 Cb 0.00 -1.77 1.24 0.00 -1.78 0.00 0.00 34.13 31.82 1j0k s GLU 281 CO 0.00 0.47 2.08 -1.00 -0.49 0.00 0.00 175.26 176.32 1j0k h PRO 282 N 5.63 0.00 -3.23 0.39 0.13 -2.05 -3.47 132.00 129.41 1j0k h PRO 282 Ca -0.40 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.63 1j0k h PRO 282 Cb 1.14 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.09 1j0k h PRO 282 CO 0.48 0.10 -0.26 -0.98 -0.23 0.00 0.00 178.00 177.11 1j0k s ARG 283 N -4.70 0.77 0.16 0.86 1.70 -1.08 -5.13 118.95 111.53 1j0k s ARG 283 Ca -0.04 -0.42 -0.34 0.00 -0.47 0.00 0.00 55.73 54.46 1j0k s ARG 283 Cb 0.16 0.33 -0.14 0.00 -0.57 0.00 0.00 34.95 34.73 1j0k s ARG 283 CO 0.66 -0.24 1.49 -2.30 -1.08 0.00 0.00 175.30 173.83 1j0k n PRO 284 N 0.78 1.92 -0.22 3.89 -0.02 -1.07 -4.28 135.00 135.99 1j0k n PRO 284 Ca -0.19 0.69 0.03 0.00 -2.02 0.00 0.00 63.50 62.01 1j0k n PRO 284 Cb 0.58 -2.41 0.12 0.00 -0.02 0.00 0.00 33.50 31.77 1j0k n PRO 284 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1j0k n ASN 285 N 2.99 1.99 -4.10 2.55 0.23 -0.04 -4.80 115.26 114.07 1j0k n ASN 285 Ca 0.16 -2.17 -0.17 0.00 -0.53 0.00 0.00 54.58 51.87 1j0k n ASN 285 Cb 0.27 -0.39 -0.12 0.00 -2.08 0.00 0.00 39.78 37.46 1j0k n ASN 285 CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 1j0k s TYR 286 N -1.61 0.92 0.23 -2.53 1.13 -1.26 -1.64 117.35 112.59 1j0k s TYR 286 Ca 0.17 -0.39 -0.31 0.00 -1.41 0.00 0.00 57.07 55.13 1j0k s TYR 286 Cb 0.11 -0.55 -0.10 0.00 -1.10 0.00 0.00 41.96 40.32 1j0k s TYR 286 CO 0.07 -0.01 1.52 -0.51 -2.51 0.00 0.00 175.55 174.11 1j0k s ASP 287 N -1.29 6.57 0.37 -0.18 1.01 -0.50 -4.94 116.67 117.71 1j0k s ASP 287 Ca -0.03 2.71 0.04 0.00 0.71 0.00 0.00 52.55 55.97 1j0k s ASP 287 Cb -0.08 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.20 1j0k s ASP 287 CO 0.01 -0.79 0.16 0.42 0.21 0.00 0.00 175.17 175.18 1j0k s THR 288 N 0.41 0.46 0.03 -1.27 -4.23 -1.26 -1.01 115.64 108.77 1j0k s THR 288 Ca 0.64 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.84 1j0k s THR 288 Cb -0.44 -2.43 -0.06 0.00 1.34 0.00 0.00 72.50 70.91 1j0k s THR 288 CO 0.40 0.00 1.40 0.12 -0.54 0.00 0.00 174.62 175.99 1j0k s PHE 289 N -3.35 2.96 0.00 3.99 5.36 0.38 -4.66 117.98 122.66 1j0k s PHE 289 Ca 0.30 0.86 0.00 0.00 -0.96 0.00 0.00 56.93 57.13 1j0k s PHE 289 Cb 0.03 -3.67 0.00 0.00 -0.34 0.00 0.00 43.02 39.05 1j0k s PHE 289 CO 0.17 -2.42 0.00 0.00 -1.46 0.00 0.00 175.22 171.51 1j0k n ALA 290 N 4.95 0.00 -1.62 11.12 0.00 -1.26 -0.94 120.51 132.76 1j0k n ALA 290 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.54 1j0k n ALA 290 Cb 0.43 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.06 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 0.79 -2.97 0.00 3.01 -1.26 -4.99 117.46 126.05 1j0k n PHE 291 Ca 0.00 -1.68 -0.43 0.00 1.01 0.00 0.00 57.45 56.35 1j0k n PHE 291 Cb 0.00 -0.36 -0.05 0.00 -0.01 0.00 0.00 39.48 39.06 1j0k n PHE 291 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1j0k s VAL 292 N -3.49 4.62 0.24 -4.37 1.01 -0.12 -4.95 120.40 113.35 1j0k s VAL 292 Ca 0.42 0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.60 1j0k s VAL 292 Cb 0.39 -4.37 0.21 0.00 0.00 0.00 0.00 36.38 32.62 1j0k s VAL 292 CO -0.03 -0.82 1.83 -0.65 0.00 0.00 0.00 175.10 175.42 1j0k h PRO 293 N 9.06 0.86 0.00 2.72 0.11 -1.94 -1.69 132.00 141.12 1j0k h PRO 293 Ca -0.25 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1j0k h PRO 293 Cb 1.08 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1j0k h PRO 293 CO 0.99 0.57 0.04 1.96 -0.21 0.00 0.00 178.00 181.34 1j0k h GLN 294 N 0.88 0.00 -3.45 1.05 7.50 -1.96 -3.36 115.11 115.77 1j0k h GLN 294 Ca 0.38 0.00 -0.67 0.00 0.50 0.00 0.00 58.65 58.87 1j0k h GLN 294 Cb 0.26 0.00 -0.38 0.00 0.05 0.00 0.00 27.48 27.41 1j0k h GLN 294 CO -0.21 0.00 -0.50 -1.64 -1.50 0.00 0.00 178.83 174.98 1j0k s MET 295 N -3.80 2.26 0.24 1.46 -1.94 -0.64 -0.78 119.30 116.11 1j0k s MET 295 Ca -0.03 -2.61 -0.30 0.00 -1.71 0.00 0.00 55.69 51.04 1j0k s MET 295 Cb 0.09 -3.51 -0.09 0.00 2.01 0.00 0.00 34.83 33.33 1j0k s MET 295 CO 0.28 -1.14 1.15 -2.14 -0.01 0.00 0.00 175.02 173.16 1j0k s PRO 296 N -0.24 4.56 -0.01 2.03 0.02 -1.17 -0.47 135.00 139.73 1j0k s PRO 296 Ca 0.17 1.85 -0.30 0.00 0.02 0.00 0.00 61.00 62.74 1j0k s PRO 296 Cb -0.23 -3.21 -0.03 0.00 0.02 0.00 0.00 34.50 31.05 1j0k s PRO 296 CO -0.02 0.07 0.98 0.21 -0.33 0.00 0.00 177.00 177.91 1j0k s LYS 297 N -0.96 4.55 0.37 5.54 2.20 -0.18 -0.57 119.74 130.70 1j0k s LYS 297 Ca 0.48 1.42 -0.23 0.00 -0.36 0.00 0.00 55.97 57.28 1j0k s LYS 297 Cb -0.32 -3.46 -0.10 0.00 -1.51 0.00 0.00 37.83 32.43 1j0k s LYS 297 CO 0.40 -0.06 0.93 -0.51 -0.36 0.00 0.00 175.35 175.75 1j0k s LEU 298 N 1.06 4.12 -0.88 5.43 1.43 -0.06 -3.44 118.68 126.35 1j0k s LEU 298 Ca 0.52 1.72 -0.12 0.00 -1.03 0.00 0.00 54.13 55.22 1j0k s LEU 298 Cb -0.21 -4.28 0.23 0.00 0.03 0.00 0.00 46.19 41.96 1j0k s LEU 298 CO 0.27 -0.22 0.82 0.21 0.23 0.00 0.00 176.35 177.66 1j0k s ASN 299 N -1.94 6.79 0.00 2.29 2.47 -0.74 -4.87 114.94 118.94 1j0k s ASN 299 Ca 0.56 -2.90 0.00 0.00 0.42 0.00 0.00 52.86 50.94 1j0k s ASN 299 Cb -0.13 -2.19 0.00 0.00 -1.45 0.00 0.00 41.25 37.48 1j0k s ASN 299 CO 0.18 -0.50 0.38 0.35 -3.72 0.00 0.00 177.10 173.79 1j0k n THR 300 N 3.66 0.00 -0.03 -5.21 -2.24 -1.26 -1.36 114.28 107.84 1j0k n THR 300 Ca 0.16 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.98 1j0k n THR 300 Cb 0.45 -0.32 -0.14 0.00 -2.10 0.00 0.00 70.33 68.22 1j0k n THR 300 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j0k n ALA 301 N 0.09 2.36 -1.87 6.98 0.00 -1.26 -4.61 120.51 122.21 1j0k n ALA 301 Ca 0.00 -0.62 -0.41 0.00 0.00 0.00 0.00 53.44 52.40 1j0k n ALA 301 Cb 0.15 -0.48 -0.02 0.00 0.00 0.00 0.00 19.45 19.11 1j0k n ALA 301 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1j0k s ASN 302 N -4.37 6.67 0.34 0.00 3.84 -0.47 -4.90 114.94 116.06 1j0k s ASN 302 Ca -0.07 2.67 0.05 0.00 0.21 0.00 0.00 52.86 55.71 1j0k s ASN 302 Cb 0.10 -2.63 0.60 0.00 -0.55 0.00 0.00 41.25 38.77 1j0k s ASN 302 CO 0.74 -0.67 1.86 -0.65 -2.79 0.00 0.00 177.10 175.58 1j0k h PRO 303 N 4.76 0.48 -0.02 0.43 0.11 -1.91 -0.73 132.00 135.11 1j0k h PRO 303 Ca -0.46 -0.11 -0.08 0.00 0.11 0.00 0.00 66.00 65.45 1j0k h PRO 303 Cb 1.22 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.27 1j0k h PRO 303 CO 0.75 0.55 -0.31 0.93 -0.21 0.00 0.00 178.00 179.71 1j0k h GLU 304 N 0.45 0.26 0.00 1.05 5.08 -1.94 -1.42 114.58 118.06 1j0k h GLU 304 Ca 0.09 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1j0k h GLU 304 Cb 0.38 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1j0k h GLU 304 CO 0.02 0.93 -0.08 0.28 -1.00 0.00 0.00 179.01 179.15 1j0k h VAL 305 N -0.33 0.79 -0.25 3.13 2.07 -1.81 -0.07 116.25 119.79 1j0k h VAL 305 Ca -0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.55 1j0k h VAL 305 Cb 1.02 0.79 -0.08 0.00 -1.52 0.00 0.00 31.29 31.50 1j0k h VAL 305 CO 0.06 0.00 -0.37 0.50 0.02 0.00 0.00 177.57 177.78 1j0k h LYS 306 N -0.14 -0.36 -0.77 1.57 1.63 -1.17 0.16 116.57 117.48 1j0k h LYS 306 Ca 0.03 0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.90 1j0k h LYS 306 Cb 0.18 0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.85 1j0k h LYS 306 CO -0.08 -0.24 0.50 -0.09 -3.45 0.00 0.00 179.45 176.09 1j0k h ARG 307 N -0.37 0.88 0.23 1.90 9.65 -0.97 -1.96 114.38 123.73 1j0k h ARG 307 Ca 0.12 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 1j0k h ARG 307 Cb 0.57 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 1j0k h ARG 307 CO -0.45 0.58 -0.11 -0.92 2.80 0.00 0.00 179.97 181.87 1j0k h TYR 308 N 0.91 -0.28 0.00 2.20 5.03 0.10 -1.92 116.97 123.01 1j0k h TYR 308 Ca 0.31 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.57 1j0k h TYR 308 Cb 0.09 0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.46 1j0k h TYR 308 CO -0.00 -0.03 -0.20 -0.07 -1.32 0.00 0.00 178.16 176.55 1j0k h LEU 309 N -0.51 0.00 -0.53 2.82 3.38 -0.61 -1.08 115.31 118.77 1j0k h LEU 309 Ca -0.03 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 1j0k h LEU 309 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1j0k h LEU 309 CO 0.05 0.20 -0.35 -0.07 0.09 0.00 0.00 178.44 178.35 1j0k h LEU 310 N 0.00 0.85 -0.70 1.67 3.38 -1.20 -0.74 115.31 118.57 1j0k h LEU 310 Ca -0.00 -0.37 -0.13 0.00 0.09 0.00 0.00 57.88 57.48 1j0k h LEU 310 Cb 0.36 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1j0k h LEU 310 CO 0.03 1.11 -0.36 0.44 0.09 0.00 0.00 178.44 179.75 1j0k h ASP 311 N 0.67 0.63 -0.72 -0.43 3.32 -0.65 -0.85 116.42 118.39 1j0k h ASP 311 Ca 0.06 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 56.79 1j0k h ASP 311 Cb 0.91 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 1j0k h ASP 311 CO 0.08 0.93 0.23 0.58 -1.72 0.00 0.00 179.24 179.34 1j0k h VAL 312 N 0.50 1.26 -0.06 -1.35 2.07 -1.00 0.59 116.25 118.25 1j0k h VAL 312 Ca 0.05 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1j0k h VAL 312 Cb 0.85 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1j0k h VAL 312 CO 0.07 0.35 0.04 0.00 0.02 0.00 0.00 177.57 178.05 1j0k h ALA 313 N 1.11 0.08 0.00 1.67 0.00 -0.55 -2.94 119.26 118.63 1j0k h ALA 313 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1j0k h ALA 313 Cb 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1j0k h ALA 313 CO -0.01 -0.41 -0.32 0.25 0.00 0.00 0.00 179.25 178.76 1j0k n THR 314 N -5.03 0.33 0.18 0.00 -2.24 -0.38 -3.71 114.28 103.44 1j0k n THR 314 Ca -0.06 -0.20 -0.07 0.00 -2.27 0.00 0.00 64.05 61.45 1j0k n THR 314 Cb 0.04 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 67.96 1j0k n THR 314 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1j0k h TYR 315 N 0.00 -0.43 -0.84 4.78 3.20 0.37 0.17 116.97 124.22 1j0k h TYR 315 Ca 0.00 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.96 1j0k h TYR 315 Cb 0.67 0.14 -0.08 0.00 1.54 0.00 0.00 36.73 39.01 1j0k h TYR 315 CO 0.00 -0.27 0.47 -1.49 -1.64 0.00 0.00 178.16 175.24 1j0k h TRP 316 N -0.58 0.85 0.63 -3.82 4.06 -1.72 0.68 115.95 116.04 1j0k h TRP 316 Ca -0.05 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.91 1j0k h TRP 316 Cb 0.36 -0.26 -0.00 0.00 -1.00 0.00 0.00 29.16 28.26 1j0k h TRP 316 CO 0.09 0.33 -0.39 0.82 -3.56 0.00 0.00 178.44 175.73 1j0k h ILE 317 N 0.77 0.00 -0.87 1.49 2.04 -1.63 0.46 117.51 119.77 1j0k h ILE 317 Ca 0.41 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.45 1j0k h ILE 317 Cb 0.41 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.39 1j0k h ILE 317 CO -0.26 0.00 0.42 -0.09 0.00 0.00 0.00 178.15 178.21 1j0k h ARG 318 N -0.96 0.52 0.00 2.37 2.43 -0.41 0.49 114.38 118.83 1j0k h ARG 318 Ca -0.08 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 58.97 1j0k h ARG 318 Cb 0.77 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 1j0k h ARG 318 CO 0.08 0.35 -1.78 0.39 -1.51 0.00 0.00 179.97 177.50 1j0k n GLU 319 N -4.94 0.65 -0.02 0.20 -0.58 0.18 -4.48 120.64 111.66 1j0k n GLU 319 Ca 0.19 -0.05 0.02 0.00 -0.42 0.00 0.00 57.16 56.90 1j0k n GLU 319 Cb 0.52 -1.62 0.03 0.00 -0.57 0.00 0.00 31.44 29.79 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 -2.51 0.04 -3.97 -0.32 3.72 0.16 -5.02 117.46 109.57 1j0k n PHE 320 Ca -0.09 -0.14 -0.27 0.00 -0.05 0.00 0.00 57.45 56.90 1j0k n PHE 320 Cb 0.70 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 39.21 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 0.11 -1.05 -4.79 4.37 4.64 0.17 -4.89 116.55 115.11 1j0k n ASP 321 Ca 0.03 -0.98 -0.33 0.00 -1.38 0.00 0.00 54.79 52.13 1j0k n ASP 321 Cb 0.16 -3.15 0.01 0.00 -1.04 0.00 0.00 41.12 37.09 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 -3.81 3.67 -1.54 5.18 -4.36 -1.25 -4.95 121.20 114.15 1j0k s ILE 322 Ca 0.14 0.85 0.16 0.00 -0.26 0.00 0.00 60.65 61.54 1j0k s ILE 322 Cb -0.08 -3.35 0.55 0.00 1.25 0.00 0.00 42.46 40.84 1j0k s ILE 322 CO 0.88 -0.41 1.44 0.47 0.24 0.00 0.00 174.94 177.57 1j0k n ASP 323 N -1.83 3.56 0.00 4.36 10.43 0.20 -4.88 116.55 128.40 1j0k n ASP 323 Ca 0.09 -2.21 0.00 0.00 2.57 0.00 0.00 54.79 55.24 1j0k n ASP 323 Cb 0.52 -0.46 0.00 0.00 1.84 0.00 0.00 41.12 43.02 1j0k n ASP 323 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1j0k n GLY 324 N 1.15 3.67 3.39 0.44 0.00 -1.19 -1.96 105.19 110.69 1j0k n GLY 324 Ca 0.20 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 1j0k n GLY 324 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1j0k s TRP 325 N -2.00 2.84 -0.61 1.61 0.52 -0.19 -2.15 118.94 118.96 1j0k s TRP 325 Ca 0.00 -0.59 -0.15 0.00 0.02 0.00 0.00 56.10 55.38 1j0k s TRP 325 Cb 0.00 -1.86 0.15 0.00 -1.15 0.00 0.00 33.47 30.62 1j0k s TRP 325 CO 0.00 -0.18 0.57 0.50 0.02 0.00 0.00 176.95 177.85 1j0k s ARG 326 N 0.34 3.13 -0.49 4.98 3.00 -0.15 -1.15 118.95 128.62 1j0k s ARG 326 Ca -0.10 -1.92 -0.27 0.00 -1.00 0.00 0.00 55.73 52.43 1j0k s ARG 326 Cb -0.16 -4.32 0.03 0.00 0.00 0.00 0.00 34.95 30.51 1j0k s ARG 326 CO 0.05 -1.31 1.06 -0.51 0.00 0.00 0.00 175.30 174.59 1j0k s LEU 327 N 1.19 3.76 0.25 -0.88 1.43 0.16 -2.08 118.68 122.52 1j0k s LEU 327 Ca 0.07 0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 53.15 1j0k s LEU 327 Cb -0.24 -3.36 -0.10 0.00 0.03 0.00 0.00 46.19 42.51 1j0k s LEU 327 CO -0.00 -1.21 1.45 -0.62 0.23 0.00 0.00 176.35 176.19 1j0k s ASP 328 N 2.46 6.64 -1.46 2.29 2.15 -0.88 -1.48 116.67 126.40 1j0k s ASP 328 Ca 0.43 2.69 -0.00 0.00 0.43 0.00 0.00 52.55 56.09 1j0k s ASP 328 Cb -0.08 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 1j0k s ASP 328 CO 0.29 -0.71 0.30 0.52 -0.17 0.00 0.00 175.17 175.40 1j0k n VAL 329 N 2.27 -2.40 0.22 1.11 0.31 -1.25 -4.37 118.33 114.21 1j0k n VAL 329 Ca 0.07 -0.49 0.07 0.00 -0.01 0.00 0.00 64.34 63.98 1j0k n VAL 329 Cb 0.40 -2.13 0.49 0.00 -0.91 0.00 0.00 33.84 31.68 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 0.82 1.22 0.00 3.52 0.00 -1.59 -2.96 119.26 120.27 1j0k h ALA 330 Ca -0.64 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1j0k h ALA 330 Cb 1.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1j0k h ALA 330 CO 0.65 0.34 0.00 0.27 0.00 0.00 0.00 179.25 180.51 1j0k n ASN 331 N -3.73 0.11 -1.01 0.00 2.04 -1.26 -2.35 115.26 109.06 1j0k n ASN 331 Ca -0.01 0.53 0.12 0.00 -0.44 0.00 0.00 54.58 54.78 1j0k n ASN 331 Cb 0.38 -0.55 0.14 0.00 -2.53 0.00 0.00 39.78 37.21 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 -1.63 2.38 -3.93 -3.83 1.02 -1.12 -4.89 120.64 108.65 1j0k n GLU 332 Ca 0.03 -2.03 -0.35 0.00 -0.02 0.00 0.00 57.16 54.79 1j0k n GLU 332 Cb 0.17 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.06 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 -1.86 5.37 0.66 -3.67 1.01 -0.99 -5.06 121.20 116.66 1j0k s ILE 333 Ca 0.31 -0.03 -0.17 0.00 0.00 0.00 0.00 60.65 60.76 1j0k s ILE 333 Cb 0.21 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 39.25 1j0k s ILE 333 CO 0.31 0.46 1.23 1.51 0.00 0.00 0.00 174.94 178.45 1j0k s ASP 334 N -1.51 4.64 0.08 3.58 -4.77 -1.26 -4.91 116.67 112.51 1j0k s ASP 334 Ca 0.21 2.45 -0.25 0.00 -3.30 0.00 0.00 52.55 51.66 1j0k s ASP 334 Cb -0.12 -2.60 -0.16 0.00 -1.09 0.00 0.00 42.92 38.95 1j0k s ASP 334 CO 0.12 -1.97 1.67 0.45 0.70 0.00 0.00 175.17 176.14 1j0k h HIS 335 N 0.33 -0.17 -0.83 2.11 3.86 -1.97 -2.70 115.15 115.79 1j0k h HIS 335 Ca -0.50 -0.00 0.19 0.00 -1.16 0.00 0.00 60.37 58.90 1j0k h HIS 335 Cb 1.31 0.05 -0.15 0.00 1.06 0.00 0.00 27.41 29.68 1j0k h HIS 335 CO 0.45 -0.07 -0.06 1.49 0.86 0.00 0.00 177.93 180.61 1j0k h GLU 336 N -0.22 0.05 -0.03 2.45 4.81 -1.99 0.62 114.58 120.27 1j0k h GLU 336 Ca -0.02 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1j0k h GLU 336 Cb 0.17 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1j0k h GLU 336 CO 0.03 0.03 -0.01 0.35 -0.73 0.00 0.00 179.01 178.68 1j0k h PHE 337 N 0.05 -0.02 -0.60 0.92 3.04 -1.79 -2.08 116.94 116.46 1j0k h PHE 337 Ca 0.45 0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.49 1j0k h PHE 337 Cb 0.80 0.01 -0.04 0.00 2.56 0.00 0.00 35.95 39.28 1j0k h PHE 337 CO -0.51 -0.02 0.40 -1.49 -2.02 0.00 0.00 178.31 174.67 1j0k h TRP 338 N -0.01 0.46 -0.54 0.41 -0.00 -0.70 0.68 115.95 116.25 1j0k h TRP 338 Ca 0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 58.90 1j0k h TRP 338 Cb 0.03 -0.15 -0.03 0.00 -0.00 0.00 0.00 29.16 29.01 1j0k h TRP 338 CO -0.10 0.22 0.27 0.00 -0.00 0.00 0.00 178.44 178.84 1j0k h ARG 339 N 0.44 0.76 -0.08 0.49 3.08 -0.51 -0.19 114.38 118.37 1j0k h ARG 339 Ca 0.28 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 60.12 1j0k h ARG 339 Cb 0.51 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.41 1j0k h ARG 339 CO -0.08 0.58 -0.44 0.93 -1.07 0.00 0.00 179.97 179.89 1j0k h GLU 340 N 0.76 0.43 -0.62 0.04 5.08 -0.71 -2.62 114.58 116.94 1j0k h GLU 340 Ca 0.19 -0.36 0.12 0.00 -1.00 0.00 0.00 59.36 58.31 1j0k h GLU 340 Cb 0.06 0.08 -0.12 0.00 0.50 0.00 0.00 28.75 29.27 1j0k h GLU 340 CO -0.03 1.00 -0.27 0.35 -1.00 0.00 0.00 179.01 179.06 1j0k h PHE 341 N -0.03 -0.70 -0.22 4.33 3.57 -0.04 0.36 116.94 124.22 1j0k h PHE 341 Ca -0.03 0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1j0k h PHE 341 Cb 1.09 0.40 -0.01 0.00 2.79 0.00 0.00 35.95 40.23 1j0k h PHE 341 CO 0.12 -0.35 0.03 -0.09 -2.23 0.00 0.00 178.31 175.80 1j0k h ARG 342 N -0.10 0.36 -0.00 1.11 2.43 -1.10 -0.90 114.38 116.18 1j0k h ARG 342 Ca 0.27 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 59.37 1j0k h ARG 342 Cb 0.53 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.99 1j0k h ARG 342 CO -0.69 0.51 -0.42 1.96 -1.51 0.00 0.00 179.97 179.83 1j0k h GLN 343 N 0.15 -0.55 0.03 0.20 4.20 -0.82 0.14 115.11 118.46 1j0k h GLN 343 Ca 0.06 0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 1j0k h GLN 343 Cb 0.33 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 1j0k h GLN 343 CO 0.01 -0.37 -0.04 0.93 -0.67 0.00 0.00 178.83 178.69 1j0k h GLU 344 N -0.57 -0.06 -0.89 1.46 4.39 -0.27 -2.20 114.58 116.43 1j0k h GLU 344 Ca 0.05 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.86 1j0k h GLU 344 Cb 0.65 0.01 -0.13 0.00 -0.10 0.00 0.00 28.75 29.19 1j0k h GLU 344 CO -0.32 -0.04 -0.49 0.28 -1.16 0.00 0.00 179.01 177.28 1j0k h VAL 345 N -0.07 0.02 -0.33 3.13 2.07 -1.04 -1.42 116.25 118.61 1j0k h VAL 345 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1j0k h VAL 345 Cb 0.06 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 1j0k h VAL 345 CO -0.01 0.00 0.13 0.11 0.02 0.00 0.00 177.57 177.82 1j0k h LYS 346 N -0.06 0.46 -0.02 1.57 1.79 -0.72 -0.52 116.57 119.07 1j0k h LYS 346 Ca 0.23 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.58 1j0k h LYS 346 Cb 0.51 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1j0k h LYS 346 CO -0.89 0.38 -0.27 0.00 -1.08 0.00 0.00 179.45 177.59 1j0k h ALA 347 N 1.69 1.53 0.00 3.86 0.00 -0.60 -2.22 119.26 123.51 1j0k h ALA 347 Ca 0.12 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1j0k h ALA 347 Cb 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1j0k h ALA 347 CO -0.01 0.35 -0.03 1.25 0.00 0.00 0.00 179.25 180.81 1j0k h LEU 348 N 0.02 0.00 -6.39 0.00 5.85 -0.88 -3.44 115.31 110.47 1j0k h LEU 348 Ca 0.00 -0.34 -0.54 0.00 0.84 0.00 0.00 57.88 57.84 1j0k h LEU 348 Cb 0.49 0.00 -0.37 0.00 0.37 0.00 0.00 40.66 41.15 1j0k h LEU 348 CO 0.04 0.69 -0.87 -0.75 -0.34 0.00 0.00 178.44 177.20 1j0k s LYS 349 N -1.80 0.73 0.28 1.25 2.20 -0.33 -5.03 119.74 117.04 1j0k s LYS 349 Ca -0.07 -1.59 0.02 0.00 -0.36 0.00 0.00 55.97 53.97 1j0k s LYS 349 Cb -0.01 -1.22 0.71 0.00 -1.51 0.00 0.00 37.83 35.80 1j0k s LYS 349 CO 0.25 -1.29 1.42 -2.30 -0.36 0.00 0.00 175.35 173.06 1j0k n PRO 350 N 3.51 -0.07 -0.12 4.03 -0.02 -0.84 -1.20 135.00 140.29 1j0k n PRO 350 Ca 0.20 1.35 0.00 0.00 -2.02 0.00 0.00 63.50 63.04 1j0k n PRO 350 Cb 0.43 -2.16 0.05 0.00 -0.02 0.00 0.00 33.50 31.81 1j0k n PRO 350 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1j0k n ASP 351 N -5.32 1.78 -4.69 2.55 3.85 -1.26 -4.85 116.55 108.61 1j0k n ASP 351 Ca 0.22 -2.13 -0.42 0.00 -0.71 0.00 0.00 54.79 51.74 1j0k n ASP 351 Cb 0.71 -0.53 -0.03 0.00 -1.35 0.00 0.00 41.12 39.93 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 -1.14 4.07 -0.26 2.12 1.01 -0.34 -4.81 120.40 121.06 1j0k s VAL 352 Ca 0.07 1.42 -0.29 0.00 0.00 0.00 0.00 61.98 63.18 1j0k s VAL 352 Cb 0.05 -3.91 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 1j0k s VAL 352 CO 0.02 -0.00 1.28 -0.47 0.00 0.00 0.00 175.10 175.92 1j0k s TYR 353 N 2.27 2.76 -0.71 5.22 5.04 -0.83 -4.79 117.35 126.31 1j0k s TYR 353 Ca 0.58 0.94 -0.11 0.00 -2.44 0.00 0.00 57.07 56.04 1j0k s TYR 353 Cb -0.27 -3.77 0.19 0.00 0.35 0.00 0.00 41.96 38.45 1j0k s TYR 353 CO 0.23 -1.64 0.62 0.42 -1.34 0.00 0.00 175.55 173.84 1j0k s ILE 354 N 4.09 4.96 -0.13 3.14 1.01 -1.26 -1.02 121.20 131.98 1j0k s ILE 354 Ca 0.55 -2.44 -0.14 0.00 0.00 0.00 0.00 60.65 58.63 1j0k s ILE 354 Cb -0.18 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 1j0k s ILE 354 CO 0.20 -0.95 0.31 -0.22 0.00 0.00 0.00 174.94 174.28 1j0k s LEU 355 N 0.36 4.29 -0.05 2.97 2.96 -0.30 -0.83 118.68 128.08 1j0k s LEU 355 Ca 0.15 0.60 0.05 0.00 -0.22 0.00 0.00 54.13 54.71 1j0k s LEU 355 Cb -0.16 -2.41 -0.02 0.00 0.50 0.00 0.00 46.19 44.10 1j0k s LEU 355 CO -0.06 0.15 -0.20 -0.83 -1.32 0.00 0.00 176.35 174.09 1j0k s GLY 356 N 0.15 1.40 -0.72 7.98 0.00 0.11 0.37 107.32 116.60 1j0k s GLY 356 Ca 0.18 -1.03 -0.23 0.00 0.00 0.00 0.00 44.72 43.65 1j0k s GLY 356 CO 0.06 -0.72 1.06 1.62 0.00 0.00 0.00 173.10 175.12 1j0k s GLN 357 N -0.43 3.20 -0.16 2.90 0.74 -0.55 -2.83 119.66 122.53 1j0k s GLN 357 Ca 0.05 -0.86 0.00 0.00 0.05 0.00 0.00 55.36 54.60 1j0k s GLN 357 Cb -0.12 -4.36 0.03 0.00 1.10 0.00 0.00 33.01 29.67 1j0k s GLN 357 CO 0.02 -1.89 -0.09 0.42 -0.55 0.00 0.00 175.29 173.19 1j0k s ILE 358 N 4.24 1.32 -0.85 -2.34 1.01 -1.26 -3.19 121.20 120.13 1j0k s ILE 358 Ca 0.27 -0.63 -0.06 0.00 0.00 0.00 0.00 60.65 60.23 1j0k s ILE 358 Cb -0.13 -1.37 0.01 0.00 0.01 0.00 0.00 42.46 40.98 1j0k s ILE 358 CO 0.08 0.28 2.79 1.87 0.00 0.00 0.00 174.94 179.96 1j0k n TRP 359 N 4.82 1.83 0.00 3.97 -0.00 -1.26 -4.58 117.44 122.22 1j0k n TRP 359 Ca -0.14 -2.34 0.00 0.00 -0.00 0.00 0.00 57.50 55.02 1j0k n TRP 359 Cb 0.49 -1.72 0.00 0.00 -0.00 0.00 0.00 31.31 30.08 1j0k n TRP 359 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 177.69 175.30 1j0k n HIS 360 N 1.76 0.00 -1.28 5.87 1.44 -1.26 -5.08 115.22 116.67 1j0k n HIS 360 Ca 0.57 0.00 -0.50 0.00 -2.01 0.00 0.00 57.72 55.78 1j0k n HIS 360 Cb 0.45 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.49 1j0k n HIS 360 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1j0k n ASP 361 N 0.00 0.80 -0.25 4.39 4.64 -1.26 -4.84 116.55 120.03 1j0k n ASP 361 Ca 0.00 0.88 0.07 0.00 -1.38 0.00 0.00 54.79 54.36 1j0k n ASP 361 Cb 0.00 -0.66 0.13 0.00 -1.04 0.00 0.00 41.12 39.55 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 2.76 2.32 -0.29 -1.67 0.00 -1.26 -4.82 120.51 117.55 1j0k n ALA 362 Ca 0.22 -2.06 0.11 0.00 0.00 0.00 0.00 53.44 51.72 1j0k n ALA 362 Cb -0.03 -0.35 0.23 0.00 0.00 0.00 0.00 19.45 19.29 1j0k n ALA 362 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1j0k n MET 363 N -0.88 -0.07 0.01 0.00 0.00 -1.26 -0.02 117.12 114.90 1j0k n MET 363 Ca 0.13 1.25 0.17 0.00 0.00 0.00 0.00 57.70 59.26 1j0k n MET 363 Cb 0.57 -1.98 0.65 0.00 0.00 0.00 0.00 33.22 32.46 1j0k n MET 363 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 1j0k h PRO 364 N 0.00 0.08 -0.65 2.12 0.11 -2.00 -0.77 132.00 130.88 1j0k h PRO 364 Ca 0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 1j0k h PRO 364 Cb 0.99 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1j0k h PRO 364 CO -0.79 0.05 0.00 0.91 -0.21 0.00 0.00 178.00 177.96 1j0k n TRP 365 N -4.42 1.27 -2.56 0.65 8.01 0.97 -4.45 117.44 116.91 1j0k n TRP 365 Ca 0.09 -0.52 -0.11 0.00 -1.31 0.00 0.00 57.50 55.64 1j0k n TRP 365 Cb 0.51 -0.18 0.03 0.00 -2.01 0.00 0.00 31.31 29.66 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 1.10 2.72 -0.97 -0.99 4.77 -0.30 -2.04 117.00 121.29 1j0k n LEU 366 Ca 0.23 -3.86 0.12 0.00 -0.03 0.00 0.00 56.01 52.47 1j0k n LEU 366 Cb 0.77 0.16 0.25 0.00 -2.33 0.00 0.00 43.42 42.27 1j0k n LEU 366 CO 0.21 1.56 0.72 0.54 -1.33 0.00 0.00 177.39 179.08 1j0k n ARG 367 N -0.48 2.28 -0.07 3.23 1.74 -1.25 -4.93 116.66 117.18 1j0k n ARG 367 Ca 0.20 -1.93 0.00 0.00 -0.77 0.00 0.00 57.85 55.35 1j0k n ARG 367 Cb 0.83 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.79 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 1.39 0.74 0.98 -0.13 0.00 -1.26 -4.71 105.19 102.21 1j0k n GLY 368 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 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 3.38 0.00 1.61 5.75 -1.26 -4.85 116.55 121.17 1j0k n ASP 369 Ca 0.00 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 1j0k n ASP 369 Cb 0.00 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 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 1.09 0.00 -3.29 0.11 6.02 -1.26 -4.16 117.38 115.90 1j0k n GLN 370 Ca 0.18 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.83 1j0k n GLN 370 Cb 0.52 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.72 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 0.75 3.47 0.02 1.08 0.08 -0.86 -4.70 117.98 117.81 1j0k s PHE 371 Ca 0.00 1.06 -0.10 0.00 0.12 0.00 0.00 56.93 58.02 1j0k s PHE 371 Cb 0.00 -2.40 -0.31 0.00 -0.57 0.00 0.00 43.02 39.74 1j0k s PHE 371 CO 0.00 0.26 0.93 -0.44 -0.10 0.00 0.00 175.22 175.87 1j0k h ASP 372 N 2.76 0.61 -4.98 1.36 3.32 -1.27 -3.42 116.42 114.80 1j0k h ASP 372 Ca -0.48 -0.74 0.05 0.00 0.02 0.00 0.00 57.03 55.89 1j0k h ASP 372 Cb 1.18 -0.20 -0.10 0.00 0.22 0.00 0.00 39.33 40.43 1j0k h ASP 372 CO 0.67 1.59 0.29 0.00 -1.72 0.00 0.00 179.24 180.07 1j0k s ALA 373 N -2.61 -1.53 0.19 3.45 0.00 -1.10 -4.84 121.76 115.32 1j0k s ALA 373 Ca -0.09 0.29 0.04 0.00 0.00 0.00 0.00 51.96 52.20 1j0k s ALA 373 Cb 0.06 0.78 -0.05 0.00 0.00 0.00 0.00 23.12 23.91 1j0k s ALA 373 CO 0.89 -0.87 -0.04 0.14 0.00 0.00 0.00 175.76 175.89 1j0k s VAL 374 N -3.65 1.05 0.16 0.00 -7.23 -1.26 0.07 120.40 109.53 1j0k s VAL 374 Ca 0.06 -2.04 -0.31 0.00 -1.81 0.00 0.00 61.98 57.87 1j0k s VAL 374 Cb -0.03 -2.13 -0.10 0.00 0.56 0.00 0.00 36.38 34.68 1j0k s VAL 374 CO -0.05 -0.50 1.61 -0.04 -0.31 0.00 0.00 175.10 175.81 1j0k s MET 375 N -3.82 4.20 -1.32 4.82 -1.94 -1.13 -3.04 119.30 117.06 1j0k s MET 375 Ca 0.23 2.40 -0.08 0.00 -1.71 0.00 0.00 55.69 56.53 1j0k s MET 375 Cb 0.04 -3.21 0.13 0.00 2.01 0.00 0.00 34.83 33.80 1j0k s MET 375 CO 0.05 -0.65 2.14 -1.71 -0.01 0.00 0.00 175.02 174.84 1j0k n ASN 376 N 4.24 6.35 -0.33 3.03 5.15 -1.06 -4.72 115.26 127.92 1j0k n ASN 376 Ca 0.15 -3.08 0.10 0.00 -0.60 0.00 0.00 54.58 51.15 1j0k n ASN 376 Cb 0.38 -1.45 0.28 0.00 -0.53 0.00 0.00 39.78 38.46 1j0k n ASN 376 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1j0k h TYR 377 N 5.28 0.95 -0.99 1.20 0.99 -1.88 -0.30 116.97 122.21 1j0k h TYR 377 Ca 0.54 0.03 0.15 0.00 2.00 0.00 0.00 58.73 61.46 1j0k h TYR 377 Cb 0.49 -0.28 -0.09 0.00 1.00 0.00 0.00 36.73 37.85 1j0k h TYR 377 CO 1.43 0.23 0.62 -1.35 -0.00 0.00 0.00 178.16 179.08 1j0k h PRO 378 N 0.72 0.83 0.40 4.88 0.11 -1.97 0.11 132.00 137.08 1j0k h PRO 378 Ca 0.53 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.57 1j0k h PRO 378 Cb 0.77 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 1j0k h PRO 378 CO -0.37 0.55 -0.32 0.35 -0.21 0.00 0.00 178.00 177.99 1j0k h PHE 379 N 0.85 -0.89 -0.70 0.65 3.04 -1.43 -1.34 116.94 117.12 1j0k h PHE 379 Ca 0.52 0.00 0.15 0.00 3.98 0.00 0.00 57.97 62.63 1j0k h PHE 379 Cb 0.69 0.33 -0.12 0.00 2.56 0.00 0.00 35.95 39.42 1j0k h PHE 379 CO -0.00 -0.45 0.03 1.15 -2.02 0.00 0.00 178.31 177.02 1j0k h THR 380 N -0.70 0.42 -0.01 4.41 2.02 -1.15 0.30 112.91 118.19 1j0k h THR 380 Ca -0.05 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 67.11 1j0k h THR 380 Cb 0.59 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 1j0k h THR 380 CO 0.00 0.02 -0.24 -0.78 0.37 0.00 0.00 175.52 174.90 1j0k h ASP 381 N 0.13 -0.71 0.15 4.18 3.58 -0.49 -1.10 116.42 122.17 1j0k h ASP 381 Ca 0.38 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.92 1j0k h ASP 381 Cb 0.65 0.29 0.00 0.00 1.72 0.00 0.00 39.33 42.00 1j0k h ASP 381 CO -0.59 -0.31 -0.07 1.23 -2.88 0.00 0.00 179.24 176.62 1j0k h GLY 382 N -0.37 -0.20 0.17 -0.78 0.00 -0.38 -0.99 103.07 100.52 1j0k h GLY 382 Ca 0.07 0.08 0.18 0.00 0.00 0.00 0.00 47.33 47.66 1j0k h GLY 382 CO -0.22 -0.07 0.61 -2.08 0.00 0.00 0.00 176.54 174.78 1j0k h VAL 383 N -0.26 0.72 0.18 4.60 2.07 -0.76 -2.07 116.25 120.73 1j0k h VAL 383 Ca -0.02 -0.26 -0.25 0.00 0.82 0.00 0.00 66.70 66.99 1j0k h VAL 383 Cb 0.21 -0.10 0.02 0.00 -1.52 0.00 0.00 31.29 29.90 1j0k h VAL 383 CO 0.03 0.14 -1.13 -0.07 0.02 0.00 0.00 177.57 176.57 1j0k h LEU 384 N 0.76 0.58 -2.56 2.57 3.38 -1.02 -1.91 115.31 117.11 1j0k h LEU 384 Ca 0.56 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1j0k h LEU 384 Cb 0.89 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1j0k h LEU 384 CO -0.35 1.53 0.04 0.03 0.09 0.00 0.00 178.44 179.78 1j0k h ARG 385 N -0.19 0.00 0.00 1.13 3.08 -0.71 0.19 114.38 117.88 1j0k h ARG 385 Ca -0.21 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.63 1j0k h ARG 385 Cb 1.84 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.85 1j0k h ARG 385 CO 0.18 0.00 -1.60 0.34 -1.07 0.00 0.00 179.97 177.82 1j0k n PHE 386 N -2.88 0.00 0.11 3.04 7.35 -0.82 -0.12 117.46 124.13 1j0k n PHE 386 Ca -0.03 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.49 1j0k n PHE 386 Cb 0.10 -0.53 -0.14 0.00 0.35 0.00 0.00 39.48 39.25 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 -0.61 0.55 0.00 -5.13 0.04 -1.39 -3.22 116.94 107.17 1j0k h PHE 387 Ca -0.32 -0.40 -0.08 0.00 2.80 0.00 0.00 57.97 59.97 1j0k h PHE 387 Cb 1.18 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.29 1j0k h PHE 387 CO -0.11 1.32 -0.99 0.00 -0.60 0.00 0.00 178.31 177.93 1j0k n ALA 388 N -2.57 0.72 0.14 2.45 0.00 -0.61 -4.65 120.51 115.99 1j0k n ALA 388 Ca -0.10 -0.64 0.03 0.00 0.00 0.00 0.00 53.44 52.73 1j0k n ALA 388 Cb 1.04 -0.03 0.03 0.00 0.00 0.00 0.00 19.45 20.48 1j0k n ALA 388 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1j0k h LYS 389 N -1.00 0.00 -5.93 0.00 1.79 -0.87 -3.42 116.57 107.14 1j0k h LYS 389 Ca -0.12 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 57.96 1j0k h LYS 389 Cb 0.90 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 31.64 1j0k h LYS 389 CO -0.07 0.46 -0.77 0.39 -1.08 0.00 0.00 179.45 178.37 1j0k n GLU 390 N -3.20 -6.13 -0.11 3.15 1.02 -1.10 -4.94 120.64 109.34 1j0k n GLU 390 Ca 0.02 0.73 -0.20 0.00 -0.02 0.00 0.00 57.16 57.68 1j0k n GLU 390 Cb 0.72 -5.58 -0.09 0.00 -0.02 0.00 0.00 31.44 26.47 1j0k n GLU 390 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1j0k n GLU 391 N -4.42 0.55 -2.31 3.49 1.02 0.83 -4.97 120.64 114.83 1j0k n GLU 391 Ca -0.19 0.43 -0.26 0.00 -0.02 0.00 0.00 57.16 57.12 1j0k n GLU 391 Cb 0.63 -1.63 0.05 0.00 -0.02 0.00 0.00 31.44 30.48 1j0k n GLU 391 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1j0k s ILE 392 N -2.45 2.90 0.56 -3.67 -4.36 -1.06 -5.05 121.20 108.07 1j0k s ILE 392 Ca -0.30 -0.18 0.00 0.00 -0.26 0.00 0.00 60.65 59.92 1j0k s ILE 392 Cb 0.08 -3.20 0.11 0.00 1.25 0.00 0.00 42.46 40.70 1j0k s ILE 392 CO 0.49 -0.20 0.77 -1.54 0.24 0.00 0.00 174.94 174.69 1j0k n SER 393 N -2.74 1.10 -0.03 4.36 3.41 -1.26 -4.73 113.62 113.73 1j0k n SER 393 Ca 0.06 -1.91 -0.13 0.00 -0.26 0.00 0.00 58.87 56.64 1j0k n SER 393 Cb 0.59 -0.50 -0.08 0.00 -0.26 0.00 0.00 64.21 63.97 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 -0.52 0.11 -0.95 7.33 0.00 -1.73 -1.09 119.26 122.41 1j0k h ALA 394 Ca -0.26 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 54.56 1j0k h ALA 394 Cb 0.96 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 1j0k h ALA 394 CO 0.28 -0.15 0.57 -0.09 0.00 0.00 0.00 179.25 179.87 1j0k h ARG 395 N -0.19 0.84 0.02 0.00 2.43 -1.88 0.21 114.38 115.81 1j0k h ARG 395 Ca 0.02 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1j0k h ARG 395 Cb 0.46 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1j0k h ARG 395 CO 0.01 0.56 -0.01 1.96 -1.51 0.00 0.00 179.97 180.98 1j0k h GLN 396 N 0.87 -0.03 -0.94 0.20 4.20 -1.87 -1.38 115.11 116.17 1j0k h GLN 396 Ca 0.49 0.00 0.13 0.00 0.06 0.00 0.00 58.65 59.33 1j0k h GLN 396 Cb 0.56 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.27 1j0k h GLN 396 CO -0.30 0.34 0.60 0.35 -0.67 0.00 0.00 178.83 179.15 1j0k h PHE 397 N -0.40 0.98 0.60 2.96 3.57 -0.10 0.21 116.94 124.76 1j0k h PHE 397 Ca -0.00 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 1j0k h PHE 397 Cb 0.38 -0.31 0.01 0.00 2.79 0.00 0.00 35.95 38.82 1j0k h PHE 397 CO 0.05 0.38 -0.29 0.00 -2.23 0.00 0.00 178.31 176.23 1j0k h ALA 398 N 1.57 -0.80 -0.47 2.41 0.00 -0.40 0.27 119.26 121.84 1j0k h ALA 398 Ca 0.46 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.26 1j0k h ALA 398 Cb 0.58 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1j0k h ALA 398 CO -0.23 -0.94 0.17 -0.91 0.00 0.00 0.00 179.25 177.34 1j0k h ASN 399 N -0.83 0.17 -0.97 0.00 2.35 -0.27 -0.02 115.58 116.02 1j0k h ASN 399 Ca -0.08 0.06 0.05 0.00 -0.55 0.00 0.00 56.30 55.77 1j0k h ASN 399 Cb 0.62 0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.97 1j0k h ASN 399 CO 0.13 0.13 0.63 -0.61 -1.65 0.00 0.00 177.43 176.06 1j0k h GLN 400 N 0.34 1.15 -0.23 0.81 5.75 -0.88 0.68 115.11 122.74 1j0k h GLN 400 Ca 0.22 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.62 1j0k h GLN 400 Cb 0.23 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 1j0k h GLN 400 CO -0.23 0.76 0.03 0.52 -2.65 0.00 0.00 178.83 177.27 1j0k h MET 401 N 1.18 0.38 -0.34 1.69 2.86 0.57 -2.85 114.93 118.42 1j0k h MET 401 Ca 0.40 -0.10 -0.14 0.00 -2.06 0.00 0.00 59.70 57.79 1j0k h MET 401 Cb 0.07 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1j0k h MET 401 CO -0.13 0.52 -0.36 0.52 1.06 0.00 0.00 176.91 178.52 1j0k h MET 402 N 0.17 0.79 -0.30 1.72 2.86 -0.35 -2.78 114.93 117.05 1j0k h MET 402 Ca 0.07 -0.39 0.07 0.00 -2.06 0.00 0.00 59.70 57.38 1j0k h MET 402 Cb 0.33 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.92 1j0k h MET 402 CO 0.01 1.02 -0.20 1.25 1.06 0.00 0.00 176.91 180.05 1j0k h HIS 403 N 0.66 -0.52 0.32 -0.22 6.17 0.45 0.50 115.15 122.51 1j0k h HIS 403 Ca 0.06 0.04 -0.02 0.00 0.71 0.00 0.00 60.37 61.17 1j0k h HIS 403 Cb 0.91 0.28 0.00 0.00 2.52 0.00 0.00 27.41 31.12 1j0k h HIS 403 CO 0.05 -0.28 -0.15 -0.24 0.71 0.00 0.00 177.93 178.02 1j0k h VAL 404 N -0.17 0.71 -0.92 5.26 3.04 -1.48 -2.97 116.25 119.72 1j0k h VAL 404 Ca 0.16 -0.32 0.17 0.00 -1.01 0.00 0.00 66.70 65.70 1j0k h VAL 404 Cb 0.42 0.88 -0.10 0.00 -2.01 0.00 0.00 31.29 30.48 1j0k h VAL 404 CO -0.41 0.07 0.50 -0.07 -1.01 0.00 0.00 177.57 176.65 1j0k h LEU 405 N -0.60 0.61 0.00 3.16 3.38 -1.18 0.92 115.31 121.60 1j0k h LEU 405 Ca -0.04 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1j0k h LEU 405 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1j0k h LEU 405 CO 0.07 0.22 0.00 1.41 0.09 0.00 0.00 178.44 180.23 1j0k n HIS 406 N -4.85 0.00 1.36 1.13 8.25 0.14 -3.01 115.22 118.24 1j0k n HIS 406 Ca 0.20 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.78 1j0k n HIS 406 Cb 0.51 -0.26 0.44 0.00 1.12 0.00 0.00 29.99 31.81 1j0k n HIS 406 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1j0k n SER 407 N -1.26 1.52 -4.08 0.41 3.41 0.32 -4.88 113.62 109.06 1j0k n SER 407 Ca 0.14 -1.61 -0.08 0.00 -0.26 0.00 0.00 58.87 57.05 1j0k n SER 407 Cb 0.21 -0.06 -0.10 0.00 -0.26 0.00 0.00 64.21 64.00 1j0k n SER 407 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1j0k s TYR 408 N -1.87 0.58 0.17 7.33 2.02 -1.16 -4.60 117.35 119.81 1j0k s TYR 408 Ca 0.34 -1.06 -0.30 0.00 -0.37 0.00 0.00 57.07 55.69 1j0k s TYR 408 Cb 0.19 -0.37 -0.07 0.00 -0.40 0.00 0.00 41.96 41.30 1j0k s TYR 408 CO 0.29 -0.45 1.13 -2.14 -1.57 0.00 0.00 175.55 172.81 1j0k s PRO 409 N -3.95 4.55 0.36 -1.71 0.02 -1.26 -4.84 135.00 128.16 1j0k s PRO 409 Ca 0.12 1.76 0.18 0.00 0.02 0.00 0.00 61.00 63.08 1j0k s PRO 409 Cb 0.07 -3.27 1.23 0.00 0.02 0.00 0.00 34.50 32.55 1j0k s PRO 409 CO -0.06 0.00 1.61 -0.91 -0.33 0.00 0.00 177.00 177.30 1j0k h ASN 410 N 5.30 0.33 1.15 2.53 2.35 -1.93 1.63 115.58 126.94 1j0k h ASN 410 Ca -0.44 0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1j0k h ASN 410 Cb 1.21 0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.82 1j0k h ASN 410 CO 0.74 -0.34 0.00 -0.55 -1.65 0.00 0.00 177.43 175.63 1j0k h ASN 411 N 0.10 0.00 0.03 5.81 -1.07 -1.95 -1.53 115.58 116.97 1j0k h ASN 411 Ca 0.80 0.00 -0.17 0.00 0.07 0.00 0.00 56.30 57.00 1j0k h ASN 411 Cb 2.01 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 38.24 1j0k h ASN 411 CO -0.73 0.00 -0.90 0.58 0.07 0.00 0.00 177.43 176.46 1j0k h VAL 412 N 0.00 1.22 -0.33 6.14 2.07 0.20 -3.30 116.25 122.25 1j0k h VAL 412 Ca 0.00 -2.29 0.10 0.00 0.82 0.00 0.00 66.70 65.33 1j0k h VAL 412 Cb 0.57 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 1j0k h VAL 412 CO 0.00 0.50 0.27 0.78 0.02 0.00 0.00 177.57 179.14 1j0k h ASN 413 N -0.83 0.00 0.26 0.57 2.35 -1.11 -0.89 115.58 115.94 1j0k h ASN 413 Ca -0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1j0k h ASN 413 Cb 1.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.69 1j0k h ASN 413 CO -0.08 0.00 0.00 -0.33 -1.65 0.00 0.00 177.43 175.37 1j0k h GLU 414 N 0.00 0.00 -0.03 0.81 5.08 -1.36 -2.83 114.58 116.25 1j0k h GLU 414 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1j0k h GLU 414 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1j0k h GLU 414 CO -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1j0k n ALA 415 N -2.06 2.27 -1.77 3.43 0.00 -0.34 -4.04 120.51 118.00 1j0k n ALA 415 Ca -0.02 -2.22 -0.41 0.00 0.00 0.00 0.00 53.44 50.78 1j0k n ALA 415 Cb 0.13 -0.33 -0.01 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 -2.44 3.66 -1.02 0.00 0.00 -1.07 -4.51 121.76 116.38 1j0k s ALA 416 Ca 0.26 1.56 -0.19 0.00 0.00 0.00 0.00 51.96 53.59 1j0k s ALA 416 Cb 0.22 -3.62 0.12 0.00 0.00 0.00 0.00 23.12 19.84 1j0k s ALA 416 CO 0.03 -1.00 1.29 0.12 0.00 0.00 0.00 175.76 176.20 1j0k s PHE 417 N -0.54 3.05 -0.67 0.00 5.36 -1.17 0.70 117.98 124.71 1j0k s PHE 417 Ca 0.58 -1.44 -0.26 0.00 -0.96 0.00 0.00 56.93 54.86 1j0k s PHE 417 Cb -0.47 -4.40 0.04 0.00 -0.34 0.00 0.00 43.02 37.85 1j0k s PHE 417 CO 0.55 -1.58 1.15 -0.80 -1.46 0.00 0.00 175.22 173.07 1j0k s ASN 418 N 3.80 6.23 0.21 6.13 0.02 -0.24 -2.56 114.94 128.51 1j0k s ASN 418 Ca 0.39 -0.50 0.10 0.00 -1.02 0.00 0.00 52.86 51.83 1j0k s ASN 418 Cb -0.03 -2.51 -0.04 0.00 0.02 0.00 0.00 41.25 38.69 1j0k s ASN 418 CO -0.07 -1.62 -0.13 -1.48 0.02 0.00 0.00 177.10 173.82 1j0k s LEU 419 N 4.99 2.81 -0.03 0.60 2.34 -1.26 -2.17 118.68 125.96 1j0k s LEU 419 Ca 0.32 -0.71 0.22 0.00 0.06 0.00 0.00 54.13 54.02 1j0k s LEU 419 Cb -0.11 -1.47 -0.34 0.00 -0.56 0.00 0.00 46.19 43.71 1j0k s LEU 419 CO 0.16 0.09 0.47 0.18 -1.06 0.00 0.00 176.35 176.19 1j0k n LEU 420 N -0.09 0.00 -3.57 1.48 4.77 -1.26 -4.27 117.00 114.06 1j0k n LEU 420 Ca -0.10 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.80 1j0k n LEU 420 Cb 0.57 0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 1j0k n LEU 420 CO 0.35 0.01 0.84 -0.83 -1.33 0.00 0.00 177.39 176.43 1j0k s GLY 421 N -4.53 -0.30 0.25 -0.72 0.00 -1.26 -4.86 107.32 95.90 1j0k s GLY 421 Ca -0.08 1.71 0.05 0.00 0.00 0.00 0.00 44.72 46.39 1j0k s GLY 421 CO 0.91 0.72 0.16 -1.14 0.00 0.00 0.00 173.10 173.75 1j0k n SER 422 N 0.23 0.05 0.00 1.64 3.41 -1.26 -4.41 113.62 113.28 1j0k n SER 422 Ca -0.06 -2.51 0.09 0.00 -0.26 0.00 0.00 58.87 56.13 1j0k n SER 422 Cb 0.59 1.01 0.51 0.00 -0.26 0.00 0.00 64.21 66.06 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 -0.50 0.00 -0.07 7.33 1.44 -1.26 -2.32 115.22 119.84 1j0k n HIS 423 Ca 0.02 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.66 1j0k n HIS 423 Cb 0.42 -0.02 -0.11 0.00 0.12 0.00 0.00 29.99 30.40 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 -1.02 1.70 -4.93 4.39 8.00 -1.26 -4.54 116.55 118.88 1j0k n ASP 424 Ca 0.13 -0.01 -0.22 0.00 0.71 0.00 0.00 54.79 55.39 1j0k n ASP 424 Cb 0.06 0.72 0.05 0.00 -0.02 0.00 0.00 41.12 41.93 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 -2.34 2.53 0.00 -3.53 -4.23 -0.98 -4.06 115.64 103.04 1j0k s THR 425 Ca -0.09 -0.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 1j0k s THR 425 Cb 0.04 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.93 1j0k s THR 425 CO 0.55 0.00 0.00 -1.20 -0.54 0.00 0.00 174.62 173.43 1j0k n SER 426 N -2.51 -0.15 -4.83 3.99 7.64 -1.26 -4.43 113.62 112.07 1j0k n SER 426 Ca 0.09 -0.09 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1j0k n SER 426 Cb 0.60 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.73 1j0k n SER 426 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1j0k s ARG 427 N -0.50 3.29 0.42 1.43 1.81 -0.73 -4.60 118.95 120.07 1j0k s ARG 427 Ca 0.00 -0.26 0.11 0.00 -1.72 0.00 0.00 55.73 53.86 1j0k s ARG 427 Cb 0.00 -3.05 0.95 0.00 -0.45 0.00 0.00 34.95 32.41 1j0k s ARG 427 CO 0.00 0.73 2.02 -0.84 -0.68 0.00 0.00 175.30 176.53 1j0k h ILE 428 N 3.78 0.99 -0.24 1.52 3.07 -1.89 -0.34 117.51 124.41 1j0k h ILE 428 Ca -0.53 -0.16 -0.18 0.00 1.55 0.00 0.00 64.86 65.54 1j0k h ILE 428 Cb 1.21 0.48 -0.00 0.00 -0.27 0.00 0.00 36.82 38.24 1j0k h ILE 428 CO 0.59 0.09 -0.58 0.25 -1.05 0.00 0.00 178.15 177.45 1j0k h LEU 429 N 0.47 0.87 -1.38 0.16 5.85 -1.94 -1.12 115.31 118.23 1j0k h LEU 429 Ca 0.21 -0.48 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 1j0k h LEU 429 Cb 0.25 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1j0k h LEU 429 CO -0.06 1.26 -0.15 0.74 -0.34 0.00 0.00 178.44 179.89 1j0k h THR 430 N 0.59 0.42 0.00 1.05 2.02 -1.56 0.15 112.91 115.57 1j0k h THR 430 Ca 0.00 -0.85 -0.23 0.00 0.77 0.00 0.00 66.41 66.10 1j0k h THR 430 Cb 1.18 1.62 -0.04 0.00 -1.74 0.00 0.00 68.15 69.16 1j0k h THR 430 CO 0.12 0.15 -1.23 0.58 0.37 0.00 0.00 175.52 175.51 1j0k h VAL 431 N 0.00 1.37 0.00 3.16 2.07 -0.85 -2.97 116.25 119.03 1j0k h VAL 431 Ca -0.00 -3.12 0.00 0.00 0.82 0.00 0.00 66.70 64.40 1j0k h VAL 431 Cb 0.60 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 1j0k h VAL 431 CO 0.02 0.78 0.00 0.00 0.02 0.00 0.00 177.57 178.39 1j0k n GLY 433 N 1.07 -0.18 1.00 0.00 0.00 -0.60 -2.97 105.19 103.51 1j0k n GLY 433 Ca 0.21 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.22 2.98 3.58 -0.02 0.00 0.43 -5.01 105.19 105.92 1j0k n GLY 434 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1j0k n GLY 434 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1j0k n ASP 435 N 0.20 3.02 0.22 1.61 -0.08 -1.16 -4.81 116.55 115.56 1j0k n ASP 435 Ca 0.00 0.13 0.08 0.00 -1.51 0.00 0.00 54.79 53.49 1j0k n ASP 435 Cb 0.00 -1.53 0.51 0.00 2.34 0.00 0.00 41.12 42.44 1j0k n ASP 435 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1j0k h ILE 436 N 7.23 0.77 -0.05 5.18 1.08 -1.93 -3.02 117.51 126.77 1j0k h ILE 436 Ca -0.37 -1.03 -0.00 0.00 -0.39 0.00 0.00 64.86 63.06 1j0k h ILE 436 Cb 1.25 1.64 -0.00 0.00 -3.07 0.00 0.00 36.82 36.64 1j0k h ILE 436 CO 0.99 0.24 0.02 0.03 -0.69 0.00 0.00 178.15 178.75 1j0k h ARG 437 N 0.00 0.06 0.35 2.37 3.08 -1.96 -1.23 114.38 117.06 1j0k h ARG 437 Ca -0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1j0k h ARG 437 Cb 0.62 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 1j0k h ARG 437 CO 0.03 0.15 -0.21 0.87 -1.07 0.00 0.00 179.97 179.75 1j0k h LYS 438 N -0.04 -0.51 -0.77 0.04 1.57 -1.83 -2.28 116.57 112.73 1j0k h LYS 438 Ca 0.02 0.04 0.17 0.00 -1.87 0.00 0.00 60.65 59.00 1j0k h LYS 438 Cb 0.11 0.12 -0.11 0.00 0.08 0.00 0.00 32.23 32.43 1j0k h LYS 438 CO -0.00 -0.34 0.25 0.28 -0.57 0.00 0.00 179.45 179.06 1j0k h VAL 439 N -0.53 0.54 -0.06 0.50 2.07 -1.53 0.60 116.25 117.84 1j0k h VAL 439 Ca -0.04 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.38 1j0k h VAL 439 Cb 0.44 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1j0k h VAL 439 CO 0.04 0.06 0.05 0.50 0.02 0.00 0.00 177.57 178.25 1j0k h LYS 440 N 0.34 0.00 0.00 1.57 3.64 -0.68 0.26 116.57 121.70 1j0k h LYS 440 Ca 0.44 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.75 1j0k h LYS 440 Cb 0.76 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1j0k h LYS 440 CO -0.49 0.00 -0.37 -0.07 -2.27 0.00 0.00 179.45 176.25 1j0k h LEU 441 N 0.00 0.00 0.15 5.20 3.38 0.71 -3.04 115.31 121.72 1j0k h LEU 441 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1j0k h LEU 441 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1j0k h LEU 441 CO -0.00 0.37 -0.07 -0.07 0.09 0.00 0.00 178.44 178.76 1j0k h LEU 442 N 0.00 -0.18 -1.46 1.67 3.38 0.15 -1.44 115.31 117.43 1j0k h LEU 442 Ca -0.00 -0.34 0.12 0.00 0.09 0.00 0.00 57.88 57.75 1j0k h LEU 442 Cb 1.23 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.97 1j0k h LEU 442 CO 0.05 0.29 0.50 -0.26 0.09 0.00 0.00 178.44 179.11 1j0k h PHE 443 N -0.70 0.63 0.80 1.13 -1.00 -1.53 0.14 116.94 116.42 1j0k h PHE 443 Ca -0.02 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 1j0k h PHE 443 Cb 0.50 -0.20 0.01 0.00 3.61 0.00 0.00 35.95 39.87 1j0k h PHE 443 CO 0.07 0.27 -0.38 1.25 -1.61 0.00 0.00 178.31 177.91 1j0k h LEU 444 N 0.57 -0.91 -2.32 1.54 5.85 -1.40 0.18 115.31 118.83 1j0k h LEU 444 Ca 0.36 0.03 0.01 0.00 0.84 0.00 0.00 57.88 59.13 1j0k h LEU 444 Cb 0.63 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 1j0k h LEU 444 CO -0.13 -0.64 0.04 0.15 -0.34 0.00 0.00 178.44 177.52 1j0k h PHE 445 N -1.11 0.00 -0.02 1.25 3.57 -0.56 -1.91 116.94 118.16 1j0k h PHE 445 Ca -0.11 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.31 1j0k h PHE 445 Cb 0.82 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.57 1j0k h PHE 445 CO 0.04 0.00 -0.30 0.37 -2.23 0.00 0.00 178.31 176.19 1j0k h GLN 446 N 0.00 0.23 -0.29 1.11 4.15 -0.47 -3.07 115.11 116.78 1j0k h GLN 446 Ca 0.02 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.21 1j0k h GLN 446 Cb 0.10 0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1j0k h GLN 446 CO -0.00 0.93 0.00 1.28 -1.93 0.00 0.00 178.83 179.11 1j0k n LEU 447 N -4.46 0.47 0.00 -2.39 4.77 0.62 -2.52 117.00 113.49 1j0k n LEU 447 Ca -0.09 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1j0k n LEU 447 Cb 0.52 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1j0k n LEU 447 CO 0.41 0.11 0.28 0.35 -1.33 0.00 0.00 177.39 177.20 1j0k n THR 448 N -0.28 0.29 -3.78 -5.08 -2.24 -0.91 -4.69 114.28 97.59 1j0k n THR 448 Ca 0.01 -0.48 -0.33 0.00 -2.27 0.00 0.00 64.05 60.99 1j0k n THR 448 Cb 0.10 1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 69.33 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 -0.29 3.53 0.59 4.78 5.36 -1.05 -4.82 117.98 126.09 1j0k s PHE 449 Ca 0.00 0.48 -0.18 0.00 -0.96 0.00 0.00 56.93 56.27 1j0k s PHE 449 Cb 0.00 -1.93 -0.03 0.00 -0.34 0.00 0.00 43.02 40.71 1j0k s PHE 449 CO 0.00 0.56 1.13 0.99 -1.46 0.00 0.00 175.22 176.44 1j0k s THR 450 N -1.45 3.14 0.00 0.12 2.01 -1.25 -4.65 115.64 113.57 1j0k s THR 450 Ca 0.33 0.64 0.00 0.00 0.31 0.00 0.00 61.69 62.97 1j0k s THR 450 Cb -0.13 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.18 1j0k s THR 450 CO 0.21 -0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.53 1j0k n GLY 451 N -0.04 0.23 3.00 4.40 0.00 -0.80 -4.81 105.19 107.18 1j0k n GLY 451 Ca 0.11 -2.13 -0.31 0.00 0.00 0.00 0.00 46.02 43.69 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 4.68 0.57 1.61 0.15 0.22 -4.68 113.70 112.25 1j0k s SER 452 Ca 0.00 -2.32 -0.16 0.00 0.70 0.00 0.00 55.95 54.17 1j0k s SER 452 Cb 0.00 -1.63 -0.05 0.00 -1.71 0.00 0.00 66.02 62.64 1j0k s SER 452 CO 0.00 -0.35 1.05 -2.16 1.20 0.00 0.00 173.24 172.98 1j0k s PRO 453 N 0.68 3.44 -0.01 5.44 0.04 -1.26 -1.08 135.00 142.24 1j0k s PRO 453 Ca 0.12 1.20 0.01 0.00 0.04 0.00 0.00 61.00 62.37 1j0k s PRO 453 Cb -0.20 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1j0k s PRO 453 CO -0.07 -0.71 -0.04 0.00 0.04 0.00 0.00 177.00 176.22 1j0k s ILE 455 N 0.05 2.97 0.12 0.00 1.01 0.14 -4.31 121.20 121.18 1j0k s ILE 455 Ca -0.00 -0.63 -0.31 0.00 0.00 0.00 0.00 60.65 59.70 1j0k s ILE 455 Cb -0.03 -2.32 -0.08 0.00 0.01 0.00 0.00 42.46 40.03 1j0k s ILE 455 CO -0.00 0.46 1.46 -0.47 0.00 0.00 0.00 174.94 176.39 1j0k s TYR 456 N 1.39 3.10 -0.16 3.97 5.04 -1.26 -1.41 117.35 128.02 1j0k s TYR 456 Ca 0.05 0.80 -0.40 0.00 -2.44 0.00 0.00 57.07 55.08 1j0k s TYR 456 Cb -0.14 -3.78 -0.17 0.00 0.35 0.00 0.00 41.96 38.23 1j0k s TYR 456 CO -0.06 -2.82 1.56 2.48 -1.34 0.00 0.00 175.55 175.38 1j0k n TYR 457 N 4.19 1.77 0.00 4.97 4.11 -0.85 -0.72 117.16 130.63 1j0k n TYR 457 Ca 0.13 0.65 0.00 0.00 -0.00 0.00 0.00 57.90 58.68 1j0k n TYR 457 Cb 0.41 -2.38 0.00 0.00 -0.00 0.00 0.00 39.34 37.37 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 3.47 3.00 0.37 -7.48 0.00 -1.26 -4.88 105.19 98.41 1j0k n GLY 458 Ca 0.24 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.34 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 0.75 0.58 1.61 3.32 -1.23 0.99 116.42 122.44 1j0k h ASP 459 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1j0k h ASP 459 Cb 0.00 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1j0k h ASP 459 CO 0.00 0.38 0.00 -1.84 -1.72 0.00 0.00 179.24 176.06 1j0k n GLU 460 N -4.59 0.12 -0.04 3.56 0.00 -1.26 -2.81 120.64 115.63 1j0k n GLU 460 Ca 0.18 0.39 0.04 0.00 0.00 0.00 0.00 57.16 57.76 1j0k n GLU 460 Cb 0.43 -1.75 0.05 0.00 0.00 0.00 0.00 31.44 30.18 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 -1.98 1.29 -1.10 3.84 -5.35 0.28 -1.62 119.36 114.71 1j0k n ILE 461 Ca 0.02 -1.43 0.00 0.00 -0.27 0.00 0.00 62.75 61.07 1j0k n ILE 461 Cb 0.19 0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.32 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 -0.83 0.53 3.75 3.28 0.00 -0.82 0.11 105.19 111.21 1j0k n GLY 462 Ca 0.06 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 1j0k n GLY 462 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1j0k s MET 463 N -2.25 3.05 0.39 1.61 -1.94 -0.88 -4.87 119.30 114.41 1j0k s MET 463 Ca 0.00 1.91 0.04 0.00 -1.71 0.00 0.00 55.69 55.92 1j0k s MET 463 Cb 0.00 -2.02 -0.04 0.00 2.01 0.00 0.00 34.83 34.78 1j0k s MET 463 CO 0.00 -1.17 0.08 0.95 -0.01 0.00 0.00 175.02 174.87 1j0k s THR 464 N -1.52 0.98 0.00 2.05 -4.23 -1.26 -4.66 115.64 107.00 1j0k s THR 464 Ca 0.76 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1j0k s THR 464 Cb -0.32 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 70.99 1j0k s THR 464 CO 0.36 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.05 1j0k n GLY 465 N -0.88 4.00 0.00 3.99 0.00 -1.26 -4.82 105.19 106.22 1j0k n GLY 465 Ca -0.06 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.83 0.69 3.77 -0.02 0.00 -1.26 -1.78 105.19 104.76 1j0k n GLY 466 Ca 0.00 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 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 5.78 0.00 1.61 3.84 -1.26 -1.03 114.94 122.88 1j0k s ASN 467 Ca 0.00 2.35 0.00 0.00 0.21 0.00 0.00 52.86 55.42 1j0k s ASN 467 Cb 0.00 -2.60 0.00 0.00 -0.55 0.00 0.00 41.25 38.10 1j0k s ASN 467 CO 0.00 -1.19 0.00 -0.67 -2.79 0.00 0.00 177.10 172.45 1j0k n ASP 468 N -0.93 0.00 0.04 -4.21 4.64 -1.26 -3.17 116.55 111.66 1j0k n ASP 468 Ca 0.10 0.00 0.12 0.00 -1.38 0.00 0.00 54.79 53.63 1j0k n ASP 468 Cb 0.49 0.00 0.23 0.00 -1.04 0.00 0.00 41.12 40.80 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 0.18 -0.33 -0.67 -0.04 -1.26 -4.90 135.00 127.98 1j0k n PRO 469 Ca 0.00 0.05 0.36 0.00 -0.04 0.00 0.00 63.50 63.87 1j0k n PRO 469 Cb 0.00 -1.61 0.75 0.00 -0.04 0.00 0.00 33.50 32.59 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 0.00 0.00 0.00 0.54 4.81 -1.70 0.36 114.58 118.58 1j0k h GLU 470 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1j0k h GLU 470 Cb 0.65 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1j0k h GLU 470 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 1j0k n ARG 472 N -1.38 2.96 -0.73 0.00 1.74 0.13 -4.92 116.66 114.45 1j0k n ARG 472 Ca 0.10 -3.57 -0.31 0.00 -0.77 0.00 0.00 57.85 53.30 1j0k n ARG 472 Cb 0.25 -2.28 0.27 0.00 -1.02 0.00 0.00 32.46 29.68 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 -3.78 -2.34 -0.00 5.56 1.02 -1.24 -4.85 119.74 114.10 1j0k s LYS 473 Ca 0.60 -0.08 -0.28 0.00 0.02 0.00 0.00 55.97 56.23 1j0k s LYS 473 Cb 0.48 -1.47 -0.04 0.00 -0.52 0.00 0.00 37.83 36.28 1j0k s LYS 473 CO -0.04 -4.45 0.89 0.00 -0.92 0.00 0.00 175.35 170.84 1j0k n MET 475 N 3.65 1.22 -2.58 0.00 1.56 0.16 -4.84 117.12 116.29 1j0k n MET 475 Ca 0.03 0.44 -0.42 0.00 -0.27 0.00 0.00 57.70 57.48 1j0k n MET 475 Cb 0.51 -2.11 -0.02 0.00 2.15 0.00 0.00 33.22 33.75 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 1.36 3.99 -1.04 1.12 1.01 -1.26 -4.85 120.40 120.73 1j0k s VAL 476 Ca 0.88 0.87 0.22 0.00 0.00 0.00 0.00 61.98 63.95 1j0k s VAL 476 Cb -0.97 -4.74 -0.16 0.00 0.00 0.00 0.00 36.38 30.51 1j0k s VAL 476 CO 0.51 -1.38 1.03 0.79 0.00 0.00 0.00 175.10 176.05 1j0k n TRP 477 N 8.53 0.00 -2.24 5.22 5.03 -1.26 -4.76 117.44 127.95 1j0k n TRP 477 Ca 0.08 0.00 -0.42 0.00 3.03 0.00 0.00 57.50 60.19 1j0k n TRP 477 Cb 0.49 -0.06 -0.03 0.00 -1.03 0.00 0.00 31.31 30.68 1j0k n TRP 477 CO 0.00 0.00 0.00 0.34 -0.03 0.00 0.00 177.69 178.00 1j0k s ASP 478 N -2.98 6.85 0.45 -0.99 -1.08 -1.26 -4.90 116.67 112.76 1j0k s ASP 478 Ca 0.09 2.03 0.22 0.00 -0.52 0.00 0.00 52.55 54.37 1j0k s ASP 478 Cb 0.16 -2.55 1.04 0.00 -1.46 0.00 0.00 42.92 40.11 1j0k s ASP 478 CO 0.82 -0.75 1.90 -0.65 0.52 0.00 0.00 175.17 177.01 1j0k h PRO 479 N 8.16 0.00 0.00 4.34 0.11 -1.93 -2.39 132.00 140.30 1j0k h PRO 479 Ca -0.36 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 1j0k h PRO 479 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1j0k h PRO 479 CO 0.92 0.24 -0.05 0.52 -0.21 0.00 0.00 178.00 179.42 1j0k h MET 480 N 0.00 0.00 0.00 1.05 2.86 -2.00 -3.28 114.93 113.56 1j0k h MET 480 Ca -0.00 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.43 1j0k h MET 480 Cb 0.60 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.22 1j0k h MET 480 CO 0.03 0.05 -2.05 1.04 1.06 0.00 0.00 176.91 177.05 1j0k n GLN 481 N -3.20 1.03 -2.60 1.72 1.13 -0.97 -4.99 117.38 109.50 1j0k n GLN 481 Ca -0.00 -0.06 -0.36 0.00 -1.94 0.00 0.00 57.00 54.64 1j0k n GLN 481 Cb 0.30 -1.43 -0.05 0.00 0.11 0.00 0.00 30.24 29.18 1j0k n GLN 481 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 1j0k s GLN 482 N -2.68 4.21 -0.72 -1.09 -2.07 -0.94 -4.98 119.66 111.39 1j0k s GLN 482 Ca -0.08 1.45 -0.24 0.00 -1.82 0.00 0.00 55.36 54.67 1j0k s GLN 482 Cb 0.07 -2.53 0.06 0.00 -1.09 0.00 0.00 33.01 29.52 1j0k s GLN 482 CO 0.71 -0.09 1.12 1.21 -1.32 0.00 0.00 175.29 176.93 1j0k s ASN 483 N -1.63 6.21 0.24 12.60 3.84 0.31 -4.90 114.94 131.61 1j0k s ASN 483 Ca 0.57 -0.85 0.23 0.00 0.21 0.00 0.00 52.86 53.02 1j0k s ASN 483 Cb -0.20 -2.48 0.96 0.00 -0.55 0.00 0.00 41.25 38.97 1j0k s ASN 483 CO 0.26 -1.59 1.70 0.29 -2.79 0.00 0.00 177.10 174.97 1j0k n LYS 484 N 8.38 0.18 0.08 0.43 4.76 -1.26 -3.00 118.16 127.73 1j0k n LYS 484 Ca 0.02 0.41 -0.13 0.00 -2.87 0.00 0.00 58.31 55.74 1j0k n LYS 484 Cb 0.47 -1.85 -0.08 0.00 -1.84 0.00 0.00 35.03 31.73 1j0k n LYS 484 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1j0k h GLU 485 N 0.00 -0.20 -0.39 1.97 4.81 -1.93 -2.81 114.58 116.03 1j0k h GLU 485 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1j0k h GLU 485 Cb 0.36 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1j0k h GLU 485 CO 0.00 0.13 0.19 -0.07 -0.73 0.00 0.00 179.01 178.53 1j0k h LEU 486 N -0.55 0.50 -0.43 1.64 3.38 -1.80 -2.08 115.31 115.97 1j0k h LEU 486 Ca -0.02 -0.12 0.09 0.00 0.09 0.00 0.00 57.88 57.91 1j0k h LEU 486 Cb 0.42 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 40.95 1j0k h LEU 486 CO 0.04 0.48 -0.27 -0.74 0.09 0.00 0.00 178.44 178.04 1j0k h HIS 487 N 0.49 -0.72 -0.55 1.13 2.76 -1.21 0.55 115.15 117.61 1j0k h HIS 487 Ca 0.13 0.05 -0.07 0.00 -2.20 0.00 0.00 60.37 58.29 1j0k h HIS 487 Cb 0.11 0.38 -0.02 0.00 1.55 0.00 0.00 27.41 29.43 1j0k h HIS 487 CO -0.01 -0.34 0.07 1.96 -1.30 0.00 0.00 177.93 178.30 1j0k h GLN 488 N -0.19 0.92 -0.28 5.26 1.08 -1.42 0.17 115.11 120.65 1j0k h GLN 488 Ca 0.19 -0.26 0.07 0.00 -1.45 0.00 0.00 58.65 57.20 1j0k h GLN 488 Cb 0.50 -0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 27.75 1j0k h GLN 488 CO -0.54 0.90 -0.25 1.25 -0.95 0.00 0.00 178.83 179.25 1j0k h HIS 489 N 0.81 -0.65 -0.60 2.96 -0.00 -0.40 0.92 115.15 118.18 1j0k h HIS 489 Ca 0.16 0.04 -0.06 0.00 -0.00 0.00 0.00 60.37 60.52 1j0k h HIS 489 Cb 0.44 0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 28.15 1j0k h HIS 489 CO 0.03 -0.32 0.14 0.28 -0.00 0.00 0.00 177.93 178.06 1j0k h VAL 490 N -0.24 1.25 -0.42 5.26 2.07 0.34 -1.46 116.25 123.06 1j0k h VAL 490 Ca 0.15 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.70 1j0k h VAL 490 Cb 0.47 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1j0k h VAL 490 CO -0.41 0.34 0.03 0.50 0.02 0.00 0.00 177.57 178.05 1j0k h LYS 491 N 0.88 0.66 -0.33 1.57 3.64 0.37 -1.82 116.57 121.54 1j0k h LYS 491 Ca 0.19 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1j0k h LYS 491 Cb 0.36 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1j0k h LYS 491 CO 0.00 0.65 0.09 0.37 -2.27 0.00 0.00 179.45 178.30 1j0k h GLN 492 N 0.63 0.51 0.06 1.90 4.15 0.13 -3.09 115.11 119.40 1j0k h GLN 492 Ca 0.13 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 1j0k h GLN 492 Cb 0.34 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.96 1j0k h GLN 492 CO 0.01 0.56 -0.03 -0.07 -1.93 0.00 0.00 178.83 177.38 1j0k h LEU 493 N 0.37 -0.06 -1.99 -2.39 3.38 -0.99 -2.77 115.31 110.85 1j0k h LEU 493 Ca 0.10 -0.44 0.24 0.00 0.09 0.00 0.00 57.88 57.87 1j0k h LEU 493 Cb 0.27 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1j0k h LEU 493 CO -0.00 0.42 0.61 0.40 0.09 0.00 0.00 178.44 179.96 1j0k h ILE 494 N -0.58 0.56 -0.07 1.22 2.04 -1.42 0.35 117.51 119.61 1j0k h ILE 494 Ca -0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1j0k h ILE 494 Cb 0.50 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1j0k h ILE 494 CO 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 178.15 178.09 1j0k h ALA 495 N 1.56 0.10 -0.17 1.87 0.00 -1.44 -1.47 119.26 119.71 1j0k h ALA 495 Ca 0.39 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1j0k h ALA 495 Cb 1.60 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1j0k h ALA 495 CO -0.00 -0.09 -0.19 -0.07 0.00 0.00 0.00 179.25 178.89 1j0k h LEU 496 N -0.28 0.27 -0.68 0.00 3.38 -0.32 -1.85 115.31 115.84 1j0k h LEU 496 Ca 0.01 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1j0k h LEU 496 Cb 0.58 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1j0k h LEU 496 CO 0.02 0.48 0.23 -0.09 0.09 0.00 0.00 178.44 179.17 1j0k h ARG 497 N 0.26 1.04 -0.42 1.13 2.43 -0.36 0.22 114.38 118.68 1j0k h ARG 497 Ca 0.05 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1j0k h ARG 497 Cb 0.49 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1j0k h ARG 497 CO 0.03 0.89 0.22 -0.22 -1.51 0.00 0.00 179.97 179.38 1j0k h LYS 498 N 0.98 0.59 0.00 0.20 3.64 -0.49 -3.12 116.57 118.36 1j0k h LYS 498 Ca 0.22 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1j0k h LYS 498 Cb 0.27 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1j0k h LYS 498 CO -0.01 0.49 -0.47 -0.56 -2.27 0.00 0.00 179.45 176.63 1j0k h GLN 499 N 0.54 0.00 -2.57 1.90 3.07 -1.08 -3.40 115.11 113.57 1j0k h GLN 499 Ca 0.15 0.00 -0.73 0.00 0.09 0.00 0.00 58.65 58.16 1j0k h GLN 499 Cb 0.08 0.00 -0.33 0.00 0.08 0.00 0.00 27.48 27.30 1j0k h GLN 499 CO -0.02 0.00 0.27 0.66 0.09 0.00 0.00 178.83 179.83 1j0k n TYR 500 N -2.63 2.86 0.00 0.06 4.02 0.74 -4.93 117.16 117.27 1j0k n TYR 500 Ca 0.03 -3.18 0.00 0.00 -0.01 0.00 0.00 57.90 54.74 1j0k n TYR 500 Cb 0.50 -0.97 0.00 0.00 -0.02 0.00 0.00 39.34 38.85 1j0k n TYR 500 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1j0k n ARG 501 N 0.91 0.00 0.24 -0.72 3.00 -1.26 0.31 116.66 119.15 1j0k n ARG 501 Ca 0.30 0.00 0.15 0.00 -0.00 0.00 0.00 57.85 58.30 1j0k n ARG 501 Cb 0.35 0.00 0.66 0.00 0.00 0.00 0.00 32.46 33.48 1j0k n ARG 501 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1j0k h SER 502 N 0.00 0.00 1.15 6.15 4.64 -1.92 0.15 113.55 123.72 1j0k h SER 502 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1j0k h SER 502 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1j0k h SER 502 CO 0.00 0.00 -0.69 -0.07 -0.87 0.00 0.00 176.83 175.20 1j0k h LEU 503 N 0.00 0.00 0.00 5.97 3.38 0.46 -2.75 115.31 122.37 1j0k h LEU 503 Ca 0.08 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1j0k h LEU 503 Cb 1.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1j0k h LEU 503 CO -0.00 0.69 -1.81 -2.11 0.09 0.00 0.00 178.44 175.30 1j0k n ARG 504 N -3.36 1.09 0.00 1.13 1.85 0.43 -3.80 116.66 114.00 1j0k n ARG 504 Ca 0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 1j0k n ARG 504 Cb 0.78 -1.35 0.00 0.00 -1.05 0.00 0.00 32.46 30.83 1j0k n ARG 504 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1j0k n ARG 505 N -2.26 0.80 -1.92 2.89 1.74 -0.60 -1.90 116.66 115.41 1j0k n ARG 505 Ca -0.12 -0.36 -0.30 0.00 -0.77 0.00 0.00 57.85 56.30 1j0k n ARG 505 Cb 0.66 -0.85 0.15 0.00 -1.02 0.00 0.00 32.46 31.40 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 -0.22 1.72 0.33 -0.13 0.00 -1.04 -4.90 107.32 103.08 1j0k s GLY 506 Ca 0.00 -1.01 -0.08 0.00 0.00 0.00 0.00 44.72 43.63 1j0k s GLY 506 CO 0.00 -0.34 0.65 1.85 0.00 0.00 0.00 173.10 175.26 1j0k s GLU 507 N -5.78 3.72 0.10 2.90 2.12 0.40 -4.71 118.70 117.45 1j0k s GLU 507 Ca 0.70 0.24 0.07 0.00 0.36 0.00 0.00 54.97 56.33 1j0k s GLU 507 Cb -0.06 -2.53 -0.03 0.00 0.26 0.00 0.00 34.13 31.76 1j0k s GLU 507 CO 0.52 0.12 -0.17 -1.50 -0.54 0.00 0.00 175.26 173.68 1j0k s ILE 508 N -2.18 1.45 -0.01 -3.70 2.07 -1.26 -0.96 121.20 116.61 1j0k s ILE 508 Ca 0.47 -1.54 -0.26 0.00 -1.41 0.00 0.00 60.65 57.92 1j0k s ILE 508 Cb -0.11 -1.42 0.06 0.00 0.13 0.00 0.00 42.46 41.12 1j0k s ILE 508 CO 0.29 -0.21 0.57 -0.94 -1.91 0.00 0.00 174.94 172.74 1j0k s SER 509 N -2.04 -0.51 -0.43 4.50 1.04 -1.12 -4.99 113.70 110.15 1j0k s SER 509 Ca 0.05 0.44 -0.11 0.00 0.48 0.00 0.00 55.95 56.81 1j0k s SER 509 Cb -0.09 0.49 0.07 0.00 0.10 0.00 0.00 66.02 66.59 1j0k s SER 509 CO 0.04 -0.61 0.29 -0.36 0.98 0.00 0.00 173.24 173.57 1j0k s PHE 510 N -1.59 3.30 -0.28 5.02 0.40 -1.26 -1.80 117.98 121.77 1j0k s PHE 510 Ca -0.10 -1.31 -0.28 0.00 -0.60 0.00 0.00 56.93 54.64 1j0k s PHE 510 Cb -0.01 -2.96 -0.03 0.00 0.51 0.00 0.00 43.02 40.52 1j0k s PHE 510 CO 0.05 -0.81 1.92 -0.51 0.70 0.00 0.00 175.22 176.57 1j0k s LEU 511 N 1.50 3.53 -0.34 -0.37 1.02 0.31 -4.85 118.68 119.48 1j0k s LEU 511 Ca 0.03 1.54 -0.39 0.00 0.02 0.00 0.00 54.13 55.33 1j0k s LEU 511 Cb -0.23 -3.52 -0.14 0.00 0.02 0.00 0.00 46.19 42.32 1j0k s LEU 511 CO 0.04 -1.74 2.00 1.41 0.02 0.00 0.00 176.35 178.08 1j0k n HIS 512 N 10.52 1.73 -2.87 0.29 8.25 -1.26 -4.06 115.22 127.82 1j0k n HIS 512 Ca 0.25 0.45 -0.25 0.00 -0.26 0.00 0.00 57.72 57.91 1j0k n HIS 512 Cb 0.46 -2.47 0.01 0.00 1.12 0.00 0.00 29.99 29.11 1j0k n HIS 512 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j0k s ALA 513 N 5.55 3.56 0.03 -1.41 0.00 -1.26 -4.91 121.76 123.32 1j0k s ALA 513 Ca 1.06 -0.79 -0.25 0.00 0.00 0.00 0.00 51.96 51.98 1j0k s ALA 513 Cb -1.04 -2.35 -0.14 0.00 0.00 0.00 0.00 23.12 19.59 1j0k s ALA 513 CO 0.59 -0.35 1.22 -0.44 0.00 0.00 0.00 175.76 176.77 1j0k h ASP 514 N 0.33 -0.77 -1.08 0.00 3.45 -1.92 -3.30 116.42 113.14 1j0k h ASP 514 Ca -0.47 0.03 -0.68 0.00 0.43 0.00 0.00 57.03 56.33 1j0k h ASP 514 Cb 1.23 0.20 -0.10 0.00 -0.56 0.00 0.00 39.33 40.10 1j0k h ASP 514 CO 0.60 -0.49 2.02 -0.62 -1.57 0.00 0.00 179.24 179.18 1j0k s ASP 515 N -3.80 6.84 0.00 6.45 3.68 -1.26 -4.78 116.67 123.80 1j0k s ASP 515 Ca -0.13 -2.45 0.00 0.00 2.13 0.00 0.00 52.55 52.10 1j0k s ASP 515 Cb 0.01 -2.55 0.00 0.00 -1.45 0.00 0.00 42.92 38.93 1j0k s ASP 515 CO 0.40 -1.14 0.16 1.21 0.13 0.00 0.00 175.17 175.93 1j0k n GLU 516 N 8.03 0.30 -0.06 4.34 4.07 -1.25 -2.20 120.64 133.88 1j0k n GLU 516 Ca 0.46 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.48 1j0k n GLU 516 Cb 0.46 -1.16 -0.05 0.00 -0.06 0.00 0.00 31.44 30.63 1j0k n GLU 516 CO 0.00 0.00 0.00 -0.12 -0.06 0.00 0.00 177.13 176.95 1j0k n MET 517 N 0.37 0.30 0.00 5.31 1.56 -1.26 -3.62 117.12 119.77 1j0k n MET 517 Ca 0.00 0.07 0.00 0.00 -0.27 0.00 0.00 57.70 57.50 1j0k n MET 517 Cb 0.08 -1.23 0.00 0.00 2.15 0.00 0.00 33.22 34.22 1j0k n MET 517 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1j0k n ASN 518 N -2.84 0.39 -4.66 6.12 3.02 -0.93 -3.50 115.26 112.86 1j0k n ASN 518 Ca -0.20 -0.71 -0.29 0.00 -0.03 0.00 0.00 54.58 53.35 1j0k n ASN 518 Cb 0.72 0.32 -0.08 0.00 -0.61 0.00 0.00 39.78 40.13 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 -0.32 2.90 -0.06 3.10 4.12 -1.07 -2.33 117.35 123.69 1j0k s TYR 519 Ca 0.00 -0.08 -0.01 0.00 0.02 0.00 0.00 57.07 56.99 1j0k s TYR 519 Cb 0.00 -1.47 0.03 0.00 -1.52 0.00 0.00 41.96 39.00 1j0k s TYR 519 CO 0.00 0.48 0.01 -1.17 0.02 0.00 0.00 175.55 174.89 1j0k s LEU 520 N -2.49 0.58 -0.12 -1.29 2.96 -0.93 -4.78 118.68 112.61 1j0k s LEU 520 Ca 0.25 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 54.12 1j0k s LEU 520 Cb -0.11 -0.38 0.02 0.00 0.50 0.00 0.00 46.19 46.22 1j0k s LEU 520 CO 0.18 -0.19 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.25 1j0k s ILE 521 N 1.91 1.40 0.04 6.68 1.01 -1.26 -1.30 121.20 129.68 1j0k s ILE 521 Ca 0.04 -0.56 -0.10 0.00 0.00 0.00 0.00 60.65 60.02 1j0k s ILE 521 Cb -0.12 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 41.05 1j0k s ILE 521 CO -0.05 0.42 0.22 -0.72 0.00 0.00 0.00 174.94 174.82 1j0k s TYR 522 N 1.22 0.01 0.15 3.97 -0.85 -0.75 0.12 117.35 121.21 1j0k s TYR 522 Ca -0.02 -0.19 0.06 0.00 -0.52 0.00 0.00 57.07 56.39 1j0k s TYR 522 Cb -0.14 0.00 -0.04 0.00 0.38 0.00 0.00 41.96 42.16 1j0k s TYR 522 CO -0.05 -0.44 -0.13 -1.59 -1.52 0.00 0.00 175.55 171.82 1j0k s LYS 523 N -2.46 1.10 -0.07 -3.49 -2.85 -0.74 0.19 119.74 111.43 1j0k s LYS 523 Ca -0.06 -1.37 0.04 0.00 -1.00 0.00 0.00 55.97 53.58 1j0k s LYS 523 Cb -0.01 -0.89 -0.02 0.00 -2.06 0.00 0.00 37.83 34.85 1j0k s LYS 523 CO -0.03 0.15 -0.17 0.15 0.10 0.00 0.00 175.35 175.55 1j0k s LYS 524 N -3.15 2.66 -0.06 1.78 -0.14 0.28 -2.79 119.74 118.32 1j0k s LYS 524 Ca 0.14 -0.76 -0.08 0.00 -1.36 0.00 0.00 55.97 53.91 1j0k s LYS 524 Cb -0.02 -2.35 0.02 0.00 -1.68 0.00 0.00 37.83 33.79 1j0k s LYS 524 CO 0.03 0.48 0.21 0.95 -0.76 0.00 0.00 175.35 176.26 1j0k s THR 525 N -0.37 0.02 -0.05 2.17 -4.23 -0.13 -0.88 115.64 112.17 1j0k s THR 525 Ca 0.03 -0.15 0.07 0.00 -1.18 0.00 0.00 61.69 60.46 1j0k s THR 525 Cb -0.12 -0.34 0.11 0.00 1.34 0.00 0.00 72.50 73.48 1j0k s THR 525 CO 0.02 -0.08 1.03 -0.90 -0.54 0.00 0.00 174.62 174.15 1j0k n ASP 526 N 2.60 1.97 0.00 3.99 3.85 -1.13 0.15 116.55 127.98 1j0k n ASP 526 Ca -0.15 -2.35 0.00 0.00 -0.71 0.00 0.00 54.79 51.58 1j0k n ASP 526 Cb 0.58 -0.16 0.00 0.00 -1.35 0.00 0.00 41.12 40.19 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 -0.80 2.18 1.01 6.12 0.00 -1.26 -4.81 105.19 107.63 1j0k n GLY 527 Ca 0.06 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1j0k n GLY 527 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1j0k n ASP 528 N 0.16 0.03 -4.63 1.61 2.03 -1.26 -5.07 116.55 109.42 1j0k n ASP 528 Ca 0.00 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.91 1j0k n ASP 528 Cb 0.00 -0.01 0.02 0.00 -0.72 0.00 0.00 41.12 40.41 1j0k n ASP 528 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1j0k n GLU 529 N -2.53 1.36 -3.31 -0.67 1.02 -1.26 -5.01 120.64 110.24 1j0k n GLU 529 Ca 0.00 0.49 -0.08 0.00 -0.02 0.00 0.00 57.16 57.55 1j0k n GLU 529 Cb 0.00 -2.16 -0.06 0.00 -0.02 0.00 0.00 31.44 29.20 1j0k n GLU 529 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1j0k s THR 530 N -1.33 -0.65 0.00 2.62 2.01 -1.25 -2.83 115.64 114.22 1j0k s THR 530 Ca 0.66 -0.20 0.01 0.00 0.31 0.00 0.00 61.69 62.47 1j0k s THR 530 Cb -0.50 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 1j0k s THR 530 CO 0.54 -0.21 0.03 -0.69 -0.69 0.00 0.00 174.62 173.60 1j0k s VAL 531 N 2.56 4.33 -0.02 3.82 1.01 -0.05 0.08 120.40 132.12 1j0k s VAL 531 Ca 0.11 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.59 1j0k s VAL 531 Cb -0.13 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 1j0k s VAL 531 CO -0.25 0.35 -0.22 -0.22 0.00 0.00 0.00 175.10 174.76 1j0k s LEU 532 N -1.67 2.03 -0.04 3.92 2.96 0.73 0.98 118.68 127.58 1j0k s LEU 532 Ca 0.21 -0.40 0.04 0.00 -0.22 0.00 0.00 54.13 53.75 1j0k s LEU 532 Cb -0.12 -1.13 0.00 0.00 0.50 0.00 0.00 46.19 45.44 1j0k s LEU 532 CO 0.12 0.25 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.56 1j0k s VAL 533 N -0.40 1.27 -0.12 1.68 1.01 0.13 -0.06 120.40 123.91 1j0k s VAL 533 Ca 0.05 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1j0k s VAL 533 Cb -0.09 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1j0k s VAL 533 CO 0.00 0.37 -0.14 -0.63 0.00 0.00 0.00 175.10 174.70 1j0k s ILE 534 N 0.16 1.48 -0.00 2.22 1.01 -0.20 -1.82 121.20 124.05 1j0k s ILE 534 Ca -0.05 -0.62 0.08 0.00 0.00 0.00 0.00 60.65 60.06 1j0k s ILE 534 Cb -0.12 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 1j0k s ILE 534 CO 0.02 0.44 -0.25 -0.63 0.00 0.00 0.00 174.94 174.53 1j0k s ILE 535 N 1.14 1.95 -0.90 2.92 1.01 -0.42 -1.88 121.20 125.02 1j0k s ILE 535 Ca -0.03 -1.12 -0.01 0.00 0.00 0.00 0.00 60.65 59.49 1j0k s ILE 535 Cb -0.14 -1.64 0.27 0.00 0.01 0.00 0.00 42.46 40.96 1j0k s ILE 535 CO -0.04 0.49 1.05 -3.20 0.00 0.00 0.00 174.94 173.24 1j0k n ASN 536 N 2.30 4.97 -3.54 3.58 5.15 -1.14 -2.20 115.26 124.38 1j0k n ASN 536 Ca -0.16 -3.32 -0.43 0.00 -0.60 0.00 0.00 54.58 50.07 1j0k n ASN 536 Cb 0.52 -1.04 -0.09 0.00 -0.53 0.00 0.00 39.78 38.64 1j0k n ASN 536 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1j0k n ARG 537 N 1.54 0.74 -3.61 1.20 0.00 -0.98 -2.44 116.66 113.10 1j0k n ARG 537 Ca 0.26 -1.39 -0.13 0.00 -0.00 0.00 0.00 57.85 56.58 1j0k n ARG 537 Cb 0.37 -2.68 -0.06 0.00 0.00 0.00 0.00 32.46 30.09 1j0k n ARG 537 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1j0k s SER 538 N 5.95 -0.38 -0.20 6.15 0.15 -1.26 -4.78 113.70 119.33 1j0k s SER 538 Ca 0.61 0.10 0.11 0.00 0.70 0.00 0.00 55.95 57.48 1j0k s SER 538 Cb 0.14 0.47 0.68 0.00 -1.71 0.00 0.00 66.02 65.60 1j0k s SER 538 CO 0.23 -0.70 1.54 -0.90 1.20 0.00 0.00 173.24 174.61 1j0k n ASP 539 N 0.44 4.90 -4.25 5.45 3.85 -1.26 -0.73 116.55 124.94 1j0k n ASP 539 Ca -0.18 -2.78 -0.14 0.00 -0.71 0.00 0.00 54.79 50.97 1j0k n ASP 539 Cb 0.60 -0.66 -0.10 0.00 -1.35 0.00 0.00 41.12 39.61 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 -2.47 1.13 0.24 0.11 -0.21 -1.26 -4.80 119.66 112.40 1j0k s GLN 540 Ca 0.45 -1.53 -0.30 0.00 0.02 0.00 0.00 55.36 54.00 1j0k s GLN 540 Cb 0.35 -0.38 -0.09 0.00 1.00 0.00 0.00 33.01 33.88 1j0k s GLN 540 CO 0.13 -0.09 1.14 -1.59 -2.12 0.00 0.00 175.29 172.76 1j0k s LYS 541 N -3.87 4.58 0.02 2.91 -2.85 -1.26 -3.71 119.74 115.55 1j0k s LYS 541 Ca 0.23 1.83 0.03 0.00 -1.00 0.00 0.00 55.97 57.06 1j0k s LYS 541 Cb 0.05 -3.21 -0.02 0.00 -2.06 0.00 0.00 37.83 32.60 1j0k s LYS 541 CO 0.04 0.09 -0.10 0.00 0.10 0.00 0.00 175.35 175.48 1j0k s ALA 542 N -0.71 0.77 -0.43 0.59 0.00 -0.46 -4.98 121.76 116.54 1j0k s ALA 542 Ca 0.48 -0.61 -0.09 0.00 0.00 0.00 0.00 51.96 51.74 1j0k s ALA 542 Cb -0.32 -0.10 0.09 0.00 0.00 0.00 0.00 23.12 22.78 1j0k s ALA 542 CO 0.40 0.12 0.28 -0.51 0.00 0.00 0.00 175.76 176.04 1j0k s ASP 543 N -0.90 5.64 -0.23 0.00 -0.00 -1.26 -1.73 116.67 118.19 1j0k s ASP 543 Ca -0.01 -1.61 -0.06 0.00 -0.00 0.00 0.00 52.55 50.86 1j0k s ASP 543 Cb -0.06 -1.99 -0.02 0.00 -0.00 0.00 0.00 42.92 40.84 1j0k s ASP 543 CO 0.00 -0.57 0.03 -0.63 -0.00 0.00 0.00 175.17 174.00 1j0k s ILE 544 N 1.40 4.08 0.21 0.77 1.01 0.96 -4.89 121.20 124.74 1j0k s ILE 544 Ca 0.04 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.13 1j0k s ILE 544 Cb -0.24 -2.89 -0.08 0.00 0.01 0.00 0.00 42.46 39.26 1j0k s ILE 544 CO 0.01 0.38 0.95 -2.16 0.00 0.00 0.00 174.94 174.12 1j0k s PRO 545 N 1.42 4.81 -0.44 2.79 0.04 -1.26 0.17 135.00 142.53 1j0k s PRO 545 Ca 0.05 1.49 -0.22 0.00 0.04 0.00 0.00 61.00 62.36 1j0k s PRO 545 Cb -0.15 -3.30 0.02 0.00 0.04 0.00 0.00 34.50 31.11 1j0k s PRO 545 CO 0.02 0.43 0.69 0.42 0.04 0.00 0.00 177.00 178.60 1j0k s ILE 546 N -0.86 4.77 -1.06 0.56 1.01 -0.88 -4.89 121.20 119.85 1j0k s ILE 546 Ca 0.43 0.26 -0.22 0.00 0.00 0.00 0.00 60.65 61.12 1j0k s ILE 546 Cb -0.25 -4.24 0.06 0.00 0.01 0.00 0.00 42.46 38.04 1j0k s ILE 546 CO 0.32 -0.62 1.47 -2.16 0.00 0.00 0.00 174.94 173.94 1j0k s PRO 547 N 2.98 3.67 -0.06 2.79 0.04 -1.26 -4.54 135.00 138.62 1j0k s PRO 547 Ca 0.25 -1.35 -0.05 0.00 0.04 0.00 0.00 61.00 59.90 1j0k s PRO 547 Cb -0.13 -5.34 0.02 0.00 0.04 0.00 0.00 34.50 29.08 1j0k s PRO 547 CO 0.20 -2.17 0.15 -1.17 0.04 0.00 0.00 177.00 174.05 1j0k s LEU 548 N 4.58 1.29 -0.08 -3.56 2.96 -1.26 -5.03 118.68 117.58 1j0k s LEU 548 Ca 0.46 0.31 -0.30 0.00 -0.22 0.00 0.00 54.13 54.38 1j0k s LEU 548 Cb 0.00 0.50 -0.04 0.00 0.50 0.00 0.00 46.19 47.15 1j0k s LEU 548 CO -0.07 -0.07 1.34 -1.81 -1.32 0.00 0.00 176.35 174.43 1j0k s ASP 549 N 0.28 6.90 -0.49 3.68 -0.00 -1.26 -4.82 116.67 120.97 1j0k s ASP 549 Ca -0.02 1.91 0.00 0.00 -0.00 0.00 0.00 52.55 54.45 1j0k s ASP 549 Cb -0.03 -2.55 0.44 0.00 -0.00 0.00 0.00 42.92 40.78 1j0k s ASP 549 CO -0.01 -0.74 1.94 0.00 -0.00 0.00 0.00 175.17 176.36 1j0k n ALA 550 N 6.04 5.64 -3.34 5.23 0.00 -1.26 -4.69 120.51 128.13 1j0k n ALA 550 Ca 0.14 -2.72 -0.47 0.00 0.00 0.00 0.00 53.44 50.39 1j0k n ALA 550 Cb 0.44 -1.55 -0.02 0.00 0.00 0.00 0.00 19.45 18.33 1j0k n ALA 550 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1j0k s ARG 551 N -3.02 3.65 0.00 0.00 6.06 -1.26 -4.13 118.95 120.24 1j0k s ARG 551 Ca 0.52 -2.55 0.00 0.00 -2.50 0.00 0.00 55.73 51.19 1j0k s ARG 551 Cb 0.41 -4.43 0.00 0.00 0.06 0.00 0.00 34.95 31.00 1j0k s ARG 551 CO 0.03 -1.28 0.00 0.41 -2.50 0.00 0.00 175.30 171.96 1j0k n GLY 552 N 3.81 0.94 3.44 8.12 0.00 -1.26 -4.70 105.19 115.54 1j0k n GLY 552 Ca 0.15 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.48 3.80 -0.12 2.61 2.01 -1.26 0.16 115.64 120.36 1j0k s THR 553 Ca 0.00 -0.37 -0.00 0.00 0.31 0.00 0.00 61.69 61.62 1j0k s THR 553 Cb 0.00 -2.70 0.03 0.00 0.01 0.00 0.00 72.50 69.84 1j0k s THR 553 CO 0.00 0.45 -0.08 0.26 -0.69 0.00 0.00 174.62 174.57 1j0k s TRP 554 N 0.81 1.53 0.08 4.92 0.52 0.15 -2.11 118.94 124.84 1j0k s TRP 554 Ca -0.01 -0.79 -0.04 0.00 0.02 0.00 0.00 56.10 55.28 1j0k s TRP 554 Cb -0.14 -1.25 -0.05 0.00 -1.15 0.00 0.00 33.47 30.87 1j0k s TRP 554 CO 0.02 -0.53 0.30 -0.51 0.02 0.00 0.00 176.95 176.25 1j0k s LEU 555 N 1.69 4.32 -0.24 2.99 2.01 -0.58 -0.70 118.68 128.17 1j0k s LEU 555 Ca 0.05 0.49 -0.03 0.00 0.01 0.00 0.00 54.13 54.65 1j0k s LEU 555 Cb -0.13 -3.04 0.08 0.00 0.01 0.00 0.00 46.19 43.11 1j0k s LEU 555 CO -0.08 0.14 0.08 -0.69 1.01 0.00 0.00 176.35 176.81 1j0k s VAL 556 N -1.52 0.42 -0.39 -1.59 1.01 0.22 -2.36 120.40 116.18 1j0k s VAL 556 Ca 0.36 -0.77 -0.27 0.00 0.00 0.00 0.00 61.98 61.29 1j0k s VAL 556 Cb -0.13 -1.13 -0.06 0.00 0.00 0.00 0.00 36.38 35.06 1j0k s VAL 556 CO 0.23 -0.45 2.32 0.21 0.00 0.00 0.00 175.10 177.41 1j0k s ASN 557 N 1.88 4.84 0.00 3.32 3.84 -0.72 -0.83 114.94 127.27 1j0k s ASN 557 Ca 0.04 1.37 0.01 0.00 0.21 0.00 0.00 52.86 54.49 1j0k s ASN 557 Cb -0.17 -2.51 0.05 0.00 -0.55 0.00 0.00 41.25 38.07 1j0k s ASN 557 CO -0.19 -2.52 0.43 0.18 -2.79 0.00 0.00 177.10 172.21 1j0k n LEU 558 N 14.24 0.00 -0.03 3.21 4.77 -0.58 -0.83 117.00 137.79 1j0k n LEU 558 Ca 0.34 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.26 1j0k n LEU 558 Cb 0.51 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1j0k n LEU 558 CO 0.69 0.00 -0.70 0.18 -1.33 0.00 0.00 177.39 176.23 1j0k n LEU 559 N -0.53 0.89 -0.02 2.23 4.77 -1.26 -4.83 117.00 118.24 1j0k n LEU 559 Ca 0.01 0.05 -0.18 0.00 -0.03 0.00 0.00 56.01 55.86 1j0k n LEU 559 Cb 0.00 -0.18 -0.14 0.00 -2.33 0.00 0.00 43.42 40.78 1j0k n LEU 559 CO 0.00 0.21 -0.84 0.35 -1.33 0.00 0.00 177.39 175.79 1j0k n THR 560 N -3.15 1.69 0.00 -5.08 -2.24 -1.16 -4.99 114.28 99.35 1j0k n THR 560 Ca -0.11 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1j0k n THR 560 Cb 0.59 -1.48 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 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 1.93 1.66 3.36 3.38 0.00 -0.01 -5.08 105.19 110.44 1j0k n GLY 561 Ca -0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.20 0.21 -4.24 1.61 2.13 -1.26 -4.58 120.64 114.31 1j0k n GLU 562 Ca 0.00 0.08 -0.17 0.00 0.66 0.00 0.00 57.16 57.72 1j0k n GLU 562 Cb 0.00 -1.19 -0.13 0.00 0.27 0.00 0.00 31.44 30.39 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 -1.21 0.72 0.08 5.31 3.52 -1.26 -1.75 118.95 124.34 1j0k s ARG 563 Ca 0.61 -0.62 -0.26 0.00 -0.13 0.00 0.00 55.73 55.33 1j0k s ARG 563 Cb -0.65 -0.65 0.08 0.00 -1.56 0.00 0.00 34.95 32.17 1j0k s ARG 563 CO 0.60 0.16 0.72 -0.59 -0.81 0.00 0.00 175.30 175.38 1j0k s PHE 564 N -0.82 -0.48 0.15 5.12 -0.12 -1.00 -5.03 117.98 115.81 1j0k s PHE 564 Ca -0.01 0.36 -0.01 0.00 -0.05 0.00 0.00 56.93 57.21 1j0k s PHE 564 Cb -0.07 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 1j0k s PHE 564 CO 0.01 -0.71 0.33 0.00 -0.05 0.00 0.00 175.22 174.80 1j0k s ALA 565 N -3.27 3.88 -0.13 1.99 0.00 -1.26 -1.53 121.76 121.44 1j0k s ALA 565 Ca 0.01 -0.78 -0.16 0.00 0.00 0.00 0.00 51.96 51.03 1j0k s ALA 565 Cb -0.01 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 1j0k s ALA 565 CO -0.10 0.60 0.40 0.00 0.00 0.00 0.00 175.76 176.67 1j0k s ALA 566 N -1.72 3.53 0.32 0.00 0.00 -0.90 -4.95 121.76 118.03 1j0k s ALA 566 Ca 0.38 -0.29 0.07 0.00 0.00 0.00 0.00 51.96 52.12 1j0k s ALA 566 Cb -0.12 -2.54 -0.03 0.00 0.00 0.00 0.00 23.12 20.43 1j0k s ALA 566 CO 0.28 0.05 0.28 -1.21 0.00 0.00 0.00 175.76 175.16 1j0k s GLU 567 N 0.49 2.79 0.09 0.00 8.01 -1.26 -4.75 118.70 124.07 1j0k s GLU 567 Ca 0.22 -1.22 -0.03 0.00 0.01 0.00 0.00 54.97 53.95 1j0k s GLU 567 Cb -0.14 -2.51 0.15 0.00 -4.31 0.00 0.00 34.13 27.31 1j0k s GLU 567 CO 0.08 0.17 0.53 0.00 0.01 0.00 0.00 175.26 176.05 1j0k n ALA 568 N -1.34 0.07 -2.79 5.21 0.00 -1.26 -2.57 120.51 117.83 1j0k n ALA 568 Ca -0.03 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.35 1j0k n ALA 568 Cb 0.59 -0.22 -0.04 0.00 0.00 0.00 0.00 19.45 19.79 1j0k n ALA 568 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1j0k s GLU 569 N -5.42 3.15 -0.40 0.00 8.01 -1.26 -4.92 118.70 117.86 1j0k s GLU 569 Ca -0.05 -0.68 -0.43 0.00 0.01 0.00 0.00 54.97 53.82 1j0k s GLU 569 Cb 0.09 -4.20 -0.17 0.00 -4.31 0.00 0.00 34.13 25.54 1j0k s GLU 569 CO 0.26 -1.80 1.79 0.25 0.01 0.00 0.00 175.26 175.77 1j0k n THR 570 N 6.01 0.15 -1.63 3.63 -2.24 -1.06 -4.81 114.28 114.32 1j0k n THR 570 Ca -0.02 -0.05 -0.45 0.00 -2.27 0.00 0.00 64.05 61.26 1j0k n THR 570 Cb 0.46 -0.91 -0.02 0.00 -2.10 0.00 0.00 70.33 67.76 1j0k n THR 570 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1j0k n LEU 571 N 5.59 2.42 -4.88 3.22 7.99 -1.26 -4.46 117.00 125.62 1j0k n LEU 571 Ca 0.33 1.17 -0.31 0.00 -0.01 0.00 0.00 56.01 57.19 1j0k n LEU 571 Cb 0.05 -1.35 -0.05 0.00 -0.11 0.00 0.00 43.42 41.96 1j0k n LEU 571 CO 0.85 -0.96 0.22 0.00 -1.51 0.00 0.00 177.39 175.99 1j0k s THR 573 N -1.88 2.45 -0.20 0.00 2.01 0.45 -4.90 115.64 113.56 1j0k s THR 573 Ca 0.47 -0.89 -0.13 0.00 0.31 0.00 0.00 61.69 61.45 1j0k s THR 573 Cb -0.11 -1.96 -0.05 0.00 0.01 0.00 0.00 72.50 70.39 1j0k s THR 573 CO 0.23 0.55 0.27 -0.44 -0.69 0.00 0.00 174.62 174.54 1j0k s SER 574 N 0.15 6.31 0.02 3.53 0.01 -1.26 -0.03 113.70 122.43 1j0k s SER 574 Ca -0.11 0.35 0.01 0.00 1.31 0.00 0.00 55.95 57.52 1j0k s SER 574 Cb -0.16 -2.16 -0.01 0.00 0.21 0.00 0.00 66.02 63.89 1j0k s SER 574 CO 0.06 0.04 -0.05 -0.76 0.41 0.00 0.00 173.24 172.94 1j0k s LEU 575 N 0.91 2.13 0.98 2.44 1.43 -0.71 -5.02 118.68 120.85 1j0k s LEU 575 Ca 0.14 -0.31 -0.15 0.00 -1.03 0.00 0.00 54.13 52.77 1j0k s LEU 575 Cb -0.13 -0.13 0.19 0.00 0.03 0.00 0.00 46.19 46.14 1j0k s LEU 575 CO 0.05 -0.10 1.22 -2.16 0.23 0.00 0.00 176.35 175.58 1j0k s PRO 576 N -0.85 0.54 0.22 1.29 0.04 -1.26 -1.36 135.00 133.63 1j0k s PRO 576 Ca -0.06 -0.11 -0.32 0.00 0.04 0.00 0.00 61.00 60.56 1j0k s PRO 576 Cb -0.06 -1.81 -0.13 0.00 0.04 0.00 0.00 34.50 32.55 1j0k s PRO 576 CO -0.00 -2.53 1.56 -2.30 0.04 0.00 0.00 177.00 173.78 1j0k n PRO 577 N -3.92 2.36 -2.34 0.56 -0.02 -1.24 -0.77 135.00 129.63 1j0k n PRO 577 Ca 0.12 0.85 -0.18 0.00 -2.02 0.00 0.00 63.50 62.27 1j0k n PRO 577 Cb 0.60 -2.60 -0.01 0.00 -0.02 0.00 0.00 33.50 31.46 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 2.83 -1.08 -1.57 6.00 4.01 0.09 -4.94 117.16 122.50 1j0k n TYR 578 Ca 0.13 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.67 1j0k n TYR 578 Cb 0.32 -3.48 0.15 0.00 -0.31 0.00 0.00 39.34 36.02 1j0k n TYR 578 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1j0k n GLY 579 N -0.89 -1.52 3.56 2.72 0.00 0.05 -4.84 105.19 104.28 1j0k n GLY 579 Ca -0.21 -1.68 -0.06 0.00 0.00 0.00 0.00 46.02 44.07 1j0k n GLY 579 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1j0k s PHE 580 N -2.95 -0.23 -0.05 1.61 -0.71 -1.26 -2.91 117.98 111.48 1j0k s PHE 580 Ca 0.52 0.16 -0.26 0.00 -1.04 0.00 0.00 56.93 56.31 1j0k s PHE 580 Cb -0.02 0.52 0.06 0.00 -1.21 0.00 0.00 43.02 42.37 1j0k s PHE 580 CO 0.37 -0.34 0.58 0.54 -1.34 0.00 0.00 175.22 175.03 1j0k s VAL 581 N -2.61 0.01 -0.07 -2.49 0.11 -0.79 -5.00 120.40 109.56 1j0k s VAL 581 Ca 0.07 -0.12 0.02 0.00 -2.93 0.00 0.00 61.98 59.02 1j0k s VAL 581 Cb -0.01 -0.89 0.01 0.00 -1.53 0.00 0.00 36.38 33.96 1j0k s VAL 581 CO -0.06 -0.07 -0.12 -0.76 -3.33 0.00 0.00 175.10 170.76 1j0k s LEU 582 N -1.11 1.61 0.16 2.54 1.02 -1.26 -1.04 118.68 120.60 1j0k s LEU 582 Ca -0.11 -0.32 0.10 0.00 0.02 0.00 0.00 54.13 53.83 1j0k s LEU 582 Cb -0.02 -0.86 -0.04 0.00 0.02 0.00 0.00 46.19 45.29 1j0k s LEU 582 CO 0.08 0.02 -0.21 -0.31 0.02 0.00 0.00 176.35 175.95 1j0k s TYR 583 N 0.80 2.42 -0.20 0.29 1.51 0.91 -1.52 117.35 121.55 1j0k s TYR 583 Ca -0.12 -0.32 -0.09 0.00 -1.01 0.00 0.00 57.07 55.53 1j0k s TYR 583 Cb -0.15 -1.24 -0.05 0.00 -0.11 0.00 0.00 41.96 40.41 1j0k s TYR 583 CO 0.02 0.44 0.11 0.00 -1.11 0.00 0.00 175.55 175.01 1j0k s ALA 584 N -1.40 3.56 -0.20 3.71 0.00 -0.01 -0.20 121.76 127.22 1j0k s ALA 584 Ca 0.19 -0.76 -0.09 0.00 0.00 0.00 0.00 51.96 51.30 1j0k s ALA 584 Cb -0.09 -2.11 -0.05 0.00 0.00 0.00 0.00 23.12 20.87 1j0k s ALA 584 CO 0.10 0.08 0.11 0.42 0.00 0.00 0.00 175.76 176.47 1j0k s ILE 585 N 0.54 5.16 -0.12 0.00 -1.09 0.11 -0.61 121.20 125.18 1j0k s ILE 585 Ca 0.06 0.10 0.02 0.00 -2.23 0.00 0.00 60.65 58.60 1j0k s ILE 585 Cb -0.12 -3.36 0.02 0.00 -1.58 0.00 0.00 42.46 37.42 1j0k s ILE 585 CO 0.00 0.42 -0.16 -1.61 -1.23 0.00 0.00 174.94 172.36 1j0k s GLU 586 N 0.55 2.39 -0.25 2.79 2.02 0.12 -4.40 118.70 121.93 1j0k s GLU 586 Ca 0.06 -0.62 -0.10 0.00 0.02 0.00 0.00 54.97 54.34 1j0k s GLU 586 Cb -0.12 -2.03 -0.04 0.00 0.10 0.00 0.00 34.13 32.03 1j0k s GLU 586 CO 0.00 -0.08 0.14 -1.01 0.02 0.00 0.00 175.26 174.33 1j0k s HIS 587 N 1.04 3.23 0.00 1.61 3.76 -1.25 -0.67 115.29 123.00 1j0k s HIS 587 Ca -0.05 0.04 0.00 0.00 -0.15 0.00 0.00 55.06 54.90 1j0k s HIS 587 Cb -0.15 -2.28 0.00 0.00 1.11 0.00 0.00 32.58 31.26 1j0k s HIS 587 CO -0.03 -0.09 0.42 0.91 -0.85 0.00 0.00 174.74 175.09