#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j0k n VAL 36 N 0.00 0.00 -3.69 5.15 0.24 -1.26 -3.40 118.33 115.37 2j0k n VAL 36 Ca 0.00 -1.94 -0.13 0.00 -2.04 0.00 0.00 64.34 60.24 2j0k n VAL 36 Cb 0.00 -0.10 -0.09 0.00 -1.47 0.00 0.00 33.84 32.18 2j0k n VAL 36 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2j0k s LEU 37 N 0.00 -0.15 -0.20 1.34 2.96 -0.88 -4.93 118.68 116.81 2j0k s LEU 37 Ca 0.29 1.11 -0.06 0.00 -0.22 0.00 0.00 54.13 55.24 2j0k s LEU 37 Cb -0.02 1.85 -0.03 0.00 0.50 0.00 0.00 46.19 48.48 2j0k s LEU 37 CO 0.18 -0.19 0.04 -0.75 -1.32 0.00 0.00 176.35 174.31 2j0k s LYS 38 N 0.52 3.77 -0.16 1.98 2.20 -1.26 -1.39 119.74 125.39 2j0k s LYS 38 Ca -0.02 -0.44 0.01 0.00 -0.36 0.00 0.00 55.97 55.16 2j0k s LYS 38 Cb -0.04 -3.19 0.02 0.00 -1.51 0.00 0.00 37.83 33.11 2j0k s LYS 38 CO -0.02 0.07 -0.20 0.08 -0.36 0.00 0.00 175.35 174.92 2j0k s VAL 39 N 0.88 1.99 0.17 4.02 1.01 -0.72 -4.25 120.40 123.51 2j0k s VAL 39 Ca 0.03 -0.91 -0.26 0.00 0.00 0.00 0.00 61.98 60.84 2j0k s VAL 39 Cb -0.14 -1.79 -0.08 0.00 0.00 0.00 0.00 36.38 34.37 2j0k s VAL 39 CO 0.02 0.53 0.79 -0.36 0.00 0.00 0.00 175.10 176.09 2j0k s PHE 40 N 1.16 3.92 0.14 5.22 0.40 0.11 -1.15 117.98 127.77 2j0k s PHE 40 Ca 0.01 1.67 0.02 0.00 -0.60 0.00 0.00 56.93 58.03 2j0k s PHE 40 Cb -0.14 -2.79 -0.01 0.00 0.51 0.00 0.00 43.02 40.59 2j0k s PHE 40 CO -0.09 0.51 0.13 -2.39 0.70 0.00 0.00 175.22 174.08 2j0k n HIS 41 N 1.57 -0.42 -1.80 0.36 1.44 -0.47 -0.68 115.22 115.23 2j0k n HIS 41 Ca -0.05 -1.10 0.00 0.00 -2.01 0.00 0.00 57.72 54.55 2j0k n HIS 41 Cb 0.48 0.14 0.15 0.00 0.12 0.00 0.00 29.99 30.88 2j0k n HIS 41 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2j0k n TYR 42 N -0.25 0.55 -3.25 -1.40 4.02 -1.26 -4.66 117.16 110.90 2j0k n TYR 42 Ca 0.03 -1.55 -0.38 0.00 -0.01 0.00 0.00 57.90 55.98 2j0k n TYR 42 Cb 0.24 -0.26 -0.06 0.00 -0.02 0.00 0.00 39.34 39.25 2j0k n TYR 42 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2j0k s PHE 43 N -3.00 3.51 0.86 -0.72 0.40 -1.26 -4.08 117.98 113.68 2j0k s PHE 43 Ca 0.40 0.95 -0.12 0.00 -0.60 0.00 0.00 56.93 57.56 2j0k s PHE 43 Cb 0.38 -2.62 0.11 0.00 0.51 0.00 0.00 43.02 41.40 2j0k s PHE 43 CO -0.06 0.11 1.17 -1.21 0.70 0.00 0.00 175.22 175.94 2j0k s GLU 44 N 0.80 1.37 -0.16 0.44 2.02 -1.26 -4.93 118.70 116.98 2j0k s GLU 44 Ca 0.28 1.62 -0.29 0.00 0.02 0.00 0.00 54.97 56.60 2j0k s GLU 44 Cb -0.16 -1.76 0.11 0.00 0.10 0.00 0.00 34.13 32.42 2j0k s GLU 44 CO 0.12 -2.38 0.91 1.21 0.02 0.00 0.00 175.26 175.13 2j0k s ASN 45 N -2.48 -0.47 0.00 -0.19 2.47 -1.26 -5.01 114.94 108.00 2j0k s ASN 45 Ca 0.69 0.61 0.06 0.00 0.42 0.00 0.00 52.86 54.64 2j0k s ASN 45 Cb -0.25 0.51 0.36 0.00 -1.45 0.00 0.00 41.25 40.43 2j0k s ASN 45 CO 0.54 -0.37 0.77 -1.54 -3.72 0.00 0.00 177.10 172.79 2j0k n SER 46 N 1.11 0.00 -4.45 -4.21 3.41 -1.26 -4.65 113.62 103.57 2j0k n SER 46 Ca -0.13 -0.29 -0.29 0.00 -0.26 0.00 0.00 58.87 57.90 2j0k n SER 46 Cb 0.57 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.67 2j0k n SER 46 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2j0k s SER 47 N -1.95 3.45 0.17 4.04 1.04 -1.26 -5.03 113.70 114.16 2j0k s SER 47 Ca 0.09 0.56 -0.30 0.00 0.48 0.00 0.00 55.95 56.78 2j0k s SER 47 Cb 0.04 -0.84 -0.08 0.00 0.10 0.00 0.00 66.02 65.24 2j0k s SER 47 CO 0.07 -2.55 1.21 -0.70 0.98 0.00 0.00 173.24 172.26 2j0k s GLU 48 N -5.67 4.47 0.35 4.02 2.56 -1.26 -4.95 118.70 118.22 2j0k s GLU 48 Ca 0.68 1.89 0.12 0.00 0.00 0.00 0.00 54.97 57.66 2j0k s GLU 48 Cb -0.08 -3.25 0.94 0.00 2.00 0.00 0.00 34.13 33.74 2j0k s GLU 48 CO 0.52 -0.14 1.76 -1.35 -0.56 0.00 0.00 175.26 175.50 2j0k h PRO 49 N 5.50 0.53 0.00 4.30 0.11 -1.96 -1.68 132.00 138.80 2j0k h PRO 49 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2j0k h PRO 49 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2j0k h PRO 49 CO 0.76 0.35 0.00 1.79 -0.21 0.00 0.00 178.00 180.69 2j0k h THR 50 N 0.55 0.00 -2.29 -1.15 1.35 -1.97 -2.84 112.91 106.57 2j0k h THR 50 Ca 0.60 -0.37 -0.63 0.00 -0.55 0.00 0.00 66.41 65.46 2j0k h THR 50 Cb 1.24 1.34 -0.39 0.00 -1.73 0.00 0.00 68.15 68.61 2j0k h THR 50 CO -0.37 0.00 -0.33 0.35 -0.25 0.00 0.00 175.52 174.92 2j0k n THR 51 N -3.02 3.55 -3.60 6.82 -2.24 -0.63 -4.96 114.28 110.20 2j0k n THR 51 Ca -0.00 -5.62 -0.39 0.00 -2.27 0.00 0.00 64.05 55.76 2j0k n THR 51 Cb 0.24 -1.52 -0.11 0.00 -2.10 0.00 0.00 70.33 66.84 2j0k n THR 51 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2j0k s TRP 52 N -3.48 3.20 0.20 4.78 0.51 -1.07 -4.71 118.94 118.37 2j0k s TRP 52 Ca 0.46 -0.45 -0.13 0.00 -2.12 0.00 0.00 56.10 53.86 2j0k s TRP 52 Cb 0.24 -2.41 0.01 0.00 -0.81 0.00 0.00 33.47 30.50 2j0k s TRP 52 CO -0.12 -0.43 0.43 0.00 -0.51 0.00 0.00 176.95 176.33 2j0k s ALA 53 N 1.65 -0.41 0.08 0.98 0.00 -1.26 -1.37 121.76 121.44 2j0k s ALA 53 Ca 0.05 -0.65 0.08 0.00 0.00 0.00 0.00 51.96 51.44 2j0k s ALA 53 Cb -0.17 0.93 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 2j0k s ALA 53 CO 0.08 -0.77 -0.22 -1.12 0.00 0.00 0.00 175.76 173.72 2j0k s SER 54 N -2.95 2.68 -0.25 0.00 0.01 -0.30 -4.95 113.70 107.93 2j0k s SER 54 Ca 0.16 -0.63 -0.03 0.00 1.31 0.00 0.00 55.95 56.76 2j0k s SER 54 Cb 0.00 -0.19 0.01 0.00 0.21 0.00 0.00 66.02 66.06 2j0k s SER 54 CO 0.02 0.13 -0.03 -0.63 0.41 0.00 0.00 173.24 173.14 2j0k s ILE 55 N -0.98 3.20 -0.20 1.44 1.09 -1.24 -1.75 121.20 122.75 2j0k s ILE 55 Ca 0.08 -0.81 -0.03 0.00 -1.10 0.00 0.00 60.65 58.79 2j0k s ILE 55 Cb -0.10 -2.58 -0.01 0.00 -1.06 0.00 0.00 42.46 38.72 2j0k s ILE 55 CO 0.03 0.25 -0.07 -0.63 -0.10 0.00 0.00 174.94 174.42 2j0k s ILE 56 N 1.40 3.25 -1.11 2.92 1.09 -0.49 -1.42 121.20 126.85 2j0k s ILE 56 Ca 0.02 -0.54 -0.21 0.00 -1.10 0.00 0.00 60.65 58.82 2j0k s ILE 56 Cb -0.16 -2.46 0.05 0.00 -1.06 0.00 0.00 42.46 38.83 2j0k s ILE 56 CO -0.03 0.45 1.59 -0.13 -0.10 0.00 0.00 174.94 176.72 2j0k s ARG 57 N 1.24 3.63 0.84 2.79 0.52 -0.38 -2.08 118.95 125.51 2j0k s ARG 57 Ca 0.03 -1.36 -0.12 0.00 -0.52 0.00 0.00 55.73 53.76 2j0k s ARG 57 Cb -0.14 -5.40 0.12 0.00 0.52 0.00 0.00 34.95 30.04 2j0k s ARG 57 CO -0.02 -2.34 1.19 -3.38 0.02 0.00 0.00 175.30 170.76 2j0k s HIS 58 N 5.20 2.46 0.40 -0.53 -3.43 -1.22 -1.90 115.29 116.27 2j0k s HIS 58 Ca 0.51 0.52 0.05 0.00 -0.80 0.00 0.00 55.06 55.33 2j0k s HIS 58 Cb 0.01 -3.62 0.05 0.00 -1.43 0.00 0.00 32.58 27.58 2j0k s HIS 58 CO -0.03 -1.99 0.38 0.41 -2.00 0.00 0.00 174.74 171.51 2j0k n GLY 59 N -3.37 2.57 0.14 -1.38 0.00 -0.41 -4.37 105.19 98.38 2j0k n GLY 59 Ca 0.11 -2.24 0.05 0.00 0.00 0.00 0.00 46.02 43.94 2j0k n GLY 59 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2j0k h ASP 60 N 0.35 0.00 -0.35 1.61 -0.00 -1.90 -3.21 116.42 112.91 2j0k h ASP 60 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.80 2j0k h ASP 60 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.23 2j0k h ASP 60 CO 0.36 0.33 0.00 0.00 -0.00 0.00 0.00 179.24 179.93 2j0k n ALA 61 N -2.23 2.33 -2.11 -0.78 0.00 -1.26 -4.63 120.51 111.83 2j0k n ALA 61 Ca -0.00 -1.33 -0.42 0.00 0.00 0.00 0.00 53.44 51.68 2j0k n ALA 61 Cb 0.68 -0.51 -0.03 0.00 0.00 0.00 0.00 19.45 19.60 2j0k n ALA 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2j0k s THR 62 N -1.29 3.49 0.21 0.00 2.01 -1.21 -4.87 115.64 113.97 2j0k s THR 62 Ca 0.27 0.86 0.03 0.00 0.31 0.00 0.00 61.69 63.17 2j0k s THR 62 Cb 0.16 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 2j0k s THR 62 CO 0.15 -0.01 0.35 1.51 -0.69 0.00 0.00 174.62 175.93 2j0k s ASP 63 N 2.21 6.33 0.55 3.53 -4.77 -1.26 -0.64 116.67 122.62 2j0k s ASP 63 Ca 0.68 0.17 0.38 0.00 -3.30 0.00 0.00 52.55 50.49 2j0k s ASP 63 Cb -0.34 -1.91 1.57 0.00 -1.09 0.00 0.00 42.92 41.15 2j0k s ASP 63 CO 0.28 -0.04 1.77 0.58 0.70 0.00 0.00 175.17 178.47 2j0k h VAL 64 N 1.36 0.35 0.46 2.11 2.07 -0.24 0.24 116.25 122.60 2j0k h VAL 64 Ca -0.50 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 2j0k h VAL 64 Cb 1.21 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2j0k h VAL 64 CO 0.65 0.00 -0.52 -0.09 0.02 0.00 0.00 177.57 177.63 2j0k h ARG 65 N 0.00 -0.96 -0.95 1.57 2.43 -1.54 -1.96 114.38 112.98 2j0k h ARG 65 Ca 0.61 0.07 0.10 0.00 -0.81 0.00 0.00 59.98 59.94 2j0k h ARG 65 Cb 2.45 0.22 -0.12 0.00 -0.42 0.00 0.00 29.97 32.09 2j0k h ARG 65 CO -0.01 -0.64 -0.51 0.41 -1.51 0.00 0.00 179.97 177.72 2j0k n GLY 66 N -1.56 -2.32 0.35 2.80 0.00 0.83 -0.26 105.19 105.03 2j0k n GLY 66 Ca -0.12 1.11 -0.13 0.00 0.00 0.00 0.00 46.02 46.88 2j0k n GLY 66 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2j0k h ILE 67 N 0.00 0.30 0.04 -0.61 1.08 -1.50 -0.82 117.51 116.00 2j0k h ILE 67 Ca 0.20 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.69 2j0k h ILE 67 Cb 0.44 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 34.47 2j0k h ILE 67 CO -0.91 0.00 -0.11 0.40 -0.69 0.00 0.00 178.15 176.84 2j0k h ILE 68 N -0.54 0.72 -0.48 -0.67 2.04 -0.52 -2.37 117.51 115.70 2j0k h ILE 68 Ca 0.04 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.98 2j0k h ILE 68 Cb 0.58 0.72 -0.10 0.00 -0.74 0.00 0.00 36.82 37.29 2j0k h ILE 68 CO -0.21 0.00 -0.39 -0.61 0.00 0.00 0.00 178.15 176.94 2j0k h GLN 69 N -0.22 -0.25 0.00 2.37 4.15 -0.28 -1.80 115.11 119.09 2j0k h GLN 69 Ca 0.03 0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.41 2j0k h GLN 69 Cb 0.25 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 2j0k h GLN 69 CO -0.09 -0.17 -0.28 -0.22 -1.93 0.00 0.00 178.83 176.15 2j0k h LYS 70 N -0.26 0.00 0.12 1.69 3.11 -0.89 -0.72 116.57 119.62 2j0k h LYS 70 Ca 0.17 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.73 2j0k h LYS 70 Cb 0.56 0.00 0.03 0.00 -1.00 0.00 0.00 32.23 31.82 2j0k h LYS 70 CO -0.61 0.28 -1.18 0.82 -2.81 0.00 0.00 179.45 175.95 2j0k h ILE 71 N 0.00 1.31 0.00 2.00 2.04 -0.87 -2.99 117.51 118.99 2j0k h ILE 71 Ca -0.00 -2.44 -0.17 0.00 1.00 0.00 0.00 64.86 63.24 2j0k h ILE 71 Cb 0.70 2.73 -0.02 0.00 -0.74 0.00 0.00 36.82 39.49 2j0k h ILE 71 CO 0.04 0.74 -0.83 -0.37 0.00 0.00 0.00 178.15 177.72 2j0k h VAL 72 N 0.20 1.51 0.00 1.67 -1.51 -1.16 -2.77 116.25 114.20 2j0k h VAL 72 Ca -0.18 -2.92 -0.04 0.00 -1.23 0.00 0.00 66.70 62.32 2j0k h VAL 72 Cb 1.87 2.61 -0.01 0.00 -2.13 0.00 0.00 31.29 33.63 2j0k h VAL 72 CO 0.23 0.81 -0.20 0.44 -1.23 0.00 0.00 177.57 177.62 2j0k h ASP 73 N 0.00 0.00 0.71 4.19 3.45 -1.25 -1.59 116.42 121.93 2j0k h ASP 73 Ca -0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.45 2j0k h ASP 73 Cb 1.54 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.31 2j0k h ASP 73 CO 0.11 0.20 0.00 0.00 -1.57 0.00 0.00 179.24 177.98 2j0k n HIS 75 N -1.40 0.00 -3.51 0.00 8.25 -0.85 -5.02 115.22 112.70 2j0k n HIS 75 Ca 0.09 -0.52 -0.21 0.00 -0.26 0.00 0.00 57.72 56.82 2j0k n HIS 75 Cb 0.26 -0.07 0.08 0.00 1.12 0.00 0.00 29.99 31.38 2j0k n HIS 75 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2j0k n LYS 76 N -0.66 -7.29 -2.89 -0.41 4.76 -0.97 -4.80 118.16 105.89 2j0k n LYS 76 Ca 0.05 0.83 -0.40 0.00 -2.87 0.00 0.00 58.31 55.91 2j0k n LYS 76 Cb 0.46 -5.83 -0.05 0.00 -1.84 0.00 0.00 35.03 27.77 2j0k n LYS 76 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2j0k s VAL 77 N -3.33 4.69 -0.13 -0.18 1.01 -0.66 -4.78 120.40 117.03 2j0k s VAL 77 Ca 0.32 1.78 0.18 0.00 0.00 0.00 0.00 61.98 64.26 2j0k s VAL 77 Cb -0.14 -4.19 -0.22 0.00 0.00 0.00 0.00 36.38 31.84 2j0k s VAL 77 CO 0.72 0.33 0.52 0.29 0.00 0.00 0.00 175.10 176.96 2j0k n LYS 78 N 2.94 0.65 -2.64 2.72 5.02 -1.26 -4.57 118.16 121.02 2j0k n LYS 78 Ca -0.00 0.06 -0.41 0.00 -2.02 0.00 0.00 58.31 55.94 2j0k n LYS 78 Cb 0.50 -1.66 0.02 0.00 -0.02 0.00 0.00 35.03 33.87 2j0k n LYS 78 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2j0k n ASN 79 N -2.71 7.28 -0.27 4.39 3.02 -1.26 -4.81 115.26 120.89 2j0k n ASN 79 Ca -0.16 -3.62 0.01 0.00 -0.03 0.00 0.00 54.58 50.79 2j0k n ASN 79 Cb 0.88 -1.20 0.14 0.00 -0.61 0.00 0.00 39.78 38.99 2j0k n ASN 79 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2j0k h VAL 80 N 2.40 0.95 0.00 2.41 2.07 -1.99 -3.01 116.25 119.09 2j0k h VAL 80 Ca 0.51 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.76 2j0k h VAL 80 Cb 0.36 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2j0k h VAL 80 CO 1.22 0.14 0.00 0.00 0.02 0.00 0.00 177.57 178.96 2j0k n ALA 81 N -2.37 1.73 0.41 1.67 0.00 -1.26 -2.35 120.51 118.33 2j0k n ALA 81 Ca 0.12 -0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.59 2j0k n ALA 81 Cb 0.22 -1.09 -0.10 0.00 0.00 0.00 0.00 19.45 18.48 2j0k n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j0k s TYR 83 N -2.68 3.66 0.48 0.00 1.51 -0.99 -1.14 117.35 118.18 2j0k s TYR 83 Ca 0.01 0.94 0.02 0.00 -1.01 0.00 0.00 57.07 57.03 2j0k s TYR 83 Cb 0.11 -2.36 -0.02 0.00 -0.11 0.00 0.00 41.96 39.58 2j0k s TYR 83 CO 0.62 0.49 0.04 0.20 -1.11 0.00 0.00 175.55 175.80 2j0k s GLY 84 N -0.54 2.88 -0.14 0.71 0.00 0.26 -4.88 107.32 105.62 2j0k s GLY 84 Ca 0.24 -0.70 0.02 0.00 0.00 0.00 0.00 44.72 44.27 2j0k s GLY 84 CO 0.12 -2.08 -0.19 -2.27 0.00 0.00 0.00 173.10 168.67 2j0k s LEU 85 N -3.79 1.99 -0.16 0.66 2.96 -1.26 -1.32 118.68 117.77 2j0k s LEU 85 Ca 0.12 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 2j0k s LEU 85 Cb 0.02 -1.35 0.02 0.00 0.50 0.00 0.00 46.19 45.37 2j0k s LEU 85 CO 0.07 0.04 -0.20 -0.60 -1.32 0.00 0.00 176.35 174.33 2j0k s ARG 86 N 1.02 2.94 -0.18 1.98 3.52 -0.66 -1.58 118.95 126.00 2j0k s ARG 86 Ca -0.03 -0.82 -0.06 0.00 -0.13 0.00 0.00 55.73 54.70 2j0k s ARG 86 Cb -0.15 -2.46 -0.03 0.00 -1.56 0.00 0.00 34.95 30.75 2j0k s ARG 86 CO -0.05 -0.11 0.01 -1.17 -0.81 0.00 0.00 175.30 173.17 2j0k s LEU 87 N 1.07 3.49 -0.03 -0.88 2.96 0.55 -1.10 118.68 124.74 2j0k s LEU 87 Ca -0.01 -0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 53.82 2j0k s LEU 87 Cb -0.14 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.69 2j0k s LEU 87 CO -0.07 0.15 0.07 -0.55 -1.32 0.00 0.00 176.35 174.63 2j0k s SER 88 N 0.50 -0.07 0.66 3.68 0.15 -0.54 -0.21 113.70 117.88 2j0k s SER 88 Ca -0.00 0.15 -0.17 0.00 0.70 0.00 0.00 55.95 56.62 2j0k s SER 88 Cb -0.14 0.13 -0.01 0.00 -1.71 0.00 0.00 66.02 64.29 2j0k s SER 88 CO 0.02 -0.04 1.10 1.57 1.20 0.00 0.00 173.24 177.09 2j0k n HIS 89 N 3.22 1.21 0.11 3.44 -0.00 -1.26 -1.10 115.22 120.84 2j0k n HIS 89 Ca -0.15 0.42 -0.04 0.00 0.46 0.00 0.00 57.72 58.41 2j0k n HIS 89 Cb 0.58 -2.17 -0.02 0.00 -0.12 0.00 0.00 29.99 28.26 2j0k n HIS 89 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 2j0k h LEU 90 N 0.22 -0.25 0.00 0.27 3.38 -1.23 -3.28 115.31 114.43 2j0k h LEU 90 Ca -0.49 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2j0k h LEU 90 Cb 1.35 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.16 2j0k h LEU 90 CO 0.50 -0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.92 2j0k n GLN 91 N -3.12 0.50 -4.39 1.13 3.00 -1.26 -4.67 117.38 108.57 2j0k n GLN 91 Ca -0.04 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.65 2j0k n GLN 91 Cb 0.11 -1.21 -0.11 0.00 0.00 0.00 0.00 30.24 29.04 2j0k n GLN 91 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2j0k s SER 92 N -1.70 4.16 0.00 1.08 0.15 -1.24 -5.03 113.70 111.12 2j0k s SER 92 Ca 0.10 -0.40 0.24 0.00 0.70 0.00 0.00 55.95 56.59 2j0k s SER 92 Cb 0.05 -0.75 0.34 0.00 -1.71 0.00 0.00 66.02 63.95 2j0k s SER 92 CO 0.08 0.21 1.30 -0.62 1.20 0.00 0.00 173.24 175.41 2j0k n GLU 93 N 1.06 0.65 -1.89 5.44 1.02 -1.26 -4.64 120.64 121.03 2j0k n GLU 93 Ca -0.15 -0.47 -0.30 0.00 -0.02 0.00 0.00 57.16 56.23 2j0k n GLU 93 Cb 0.52 -1.49 0.18 0.00 -0.02 0.00 0.00 31.44 30.64 2j0k n GLU 93 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2j0k s GLU 94 N -2.67 0.62 -0.13 3.49 -1.05 -1.26 -5.08 118.70 112.62 2j0k s GLU 94 Ca 0.18 -0.36 -0.18 0.00 -0.15 0.00 0.00 54.97 54.46 2j0k s GLU 94 Cb 0.18 -1.84 0.04 0.00 -0.44 0.00 0.00 34.13 32.08 2j0k s GLU 94 CO 0.62 -2.44 0.46 0.08 0.95 0.00 0.00 175.26 174.93 2j0k s VAL 95 N -3.83 0.01 -0.19 1.83 1.01 -1.26 -4.55 120.40 113.42 2j0k s VAL 95 Ca 0.73 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2j0k s VAL 95 Cb -0.05 -0.68 0.04 0.00 0.00 0.00 0.00 36.38 35.70 2j0k s VAL 95 CO 0.53 -0.05 -0.07 -1.00 0.00 0.00 0.00 175.10 174.50 2j0k s HIS 96 N -0.22 2.08 -0.24 5.22 3.76 0.71 -4.93 115.29 121.67 2j0k s HIS 96 Ca -0.04 -1.38 -0.22 0.00 -0.15 0.00 0.00 55.06 53.28 2j0k s HIS 96 Cb -0.03 -1.48 -0.02 0.00 1.11 0.00 0.00 32.58 32.16 2j0k s HIS 96 CO 0.02 -0.69 0.69 -1.58 -0.85 0.00 0.00 174.74 172.34 2j0k s TRP 97 N 1.51 3.31 -0.70 1.40 0.52 -1.26 -0.33 118.94 123.39 2j0k s TRP 97 Ca -0.01 0.94 -0.21 0.00 0.02 0.00 0.00 56.10 56.84 2j0k s TRP 97 Cb -0.16 -2.90 0.09 0.00 -1.15 0.00 0.00 33.47 29.35 2j0k s TRP 97 CO -0.08 -0.31 0.96 -0.51 0.02 0.00 0.00 176.95 177.03 2j0k s LEU 98 N 2.46 4.63 0.19 2.99 1.43 -0.62 -4.86 118.68 124.90 2j0k s LEU 98 Ca 0.30 -1.23 -0.32 0.00 -1.03 0.00 0.00 54.13 51.84 2j0k s LEU 98 Cb -0.16 -2.40 -0.16 0.00 0.03 0.00 0.00 46.19 43.51 2j0k s LEU 98 CO 0.09 -1.33 1.09 1.41 0.23 0.00 0.00 176.35 177.84 2j0k n HIS 99 N 7.33 1.15 -0.38 0.29 8.25 -1.26 -4.64 115.22 125.96 2j0k n HIS 99 Ca 0.00 0.72 0.33 0.00 -0.26 0.00 0.00 57.72 58.51 2j0k n HIS 99 Cb 0.46 -2.25 0.60 0.00 1.12 0.00 0.00 29.99 29.92 2j0k n HIS 99 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2j0k h LEU 100 N 2.99 0.32 -0.24 2.41 3.38 -1.94 -1.03 115.31 121.20 2j0k h LEU 100 Ca -0.42 0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2j0k h LEU 100 Cb 1.35 0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.29 2j0k h LEU 100 CO 0.68 -0.29 -0.15 -0.90 0.09 0.00 0.00 178.44 177.87 2j0k n ASP 101 N -5.00 0.52 -4.77 -0.43 5.75 -1.26 -1.43 116.55 109.93 2j0k n ASP 101 Ca 0.37 -0.53 -0.39 0.00 -0.01 0.00 0.00 54.79 54.23 2j0k n ASP 101 Cb 1.31 -0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 41.32 2j0k n ASP 101 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 2j0k s MET 102 N -2.54 4.36 -0.34 0.11 -1.94 -0.39 -4.77 119.30 113.78 2j0k s MET 102 Ca 0.26 1.84 -0.21 0.00 -1.71 0.00 0.00 55.69 55.87 2j0k s MET 102 Cb 0.20 -2.93 0.00 0.00 2.01 0.00 0.00 34.83 34.11 2j0k s MET 102 CO 0.50 -0.05 0.67 0.20 -0.01 0.00 0.00 175.02 176.32 2j0k s GLY 103 N -0.99 1.74 0.27 -0.03 0.00 -1.26 -0.56 107.32 106.48 2j0k s GLY 103 Ca 0.51 -0.75 -0.06 0.00 0.00 0.00 0.00 44.72 44.41 2j0k s GLY 103 CO 0.40 1.54 1.48 -0.62 0.00 0.00 0.00 173.10 175.91 2j0k n VAL 104 N 5.58 -0.40 -0.17 1.40 0.31 0.19 -1.09 118.33 124.14 2j0k n VAL 104 Ca -0.00 2.16 -0.06 0.00 -0.01 0.00 0.00 64.34 66.43 2j0k n VAL 104 Cb 0.49 -3.02 0.09 0.00 -0.91 0.00 0.00 33.84 30.49 2j0k n VAL 104 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2j0k h SER 105 N 0.00 0.92 -0.66 4.52 0.02 -1.82 0.26 113.55 116.79 2j0k h SER 105 Ca 0.47 -0.23 -0.37 0.00 -0.84 0.00 0.00 61.79 60.82 2j0k h SER 105 Cb 0.76 -0.25 -0.20 0.00 0.14 0.00 0.00 62.40 62.85 2j0k h SER 105 CO -0.97 0.96 0.47 -0.46 -1.14 0.00 0.00 176.83 175.69 2j0k n ASN 106 N -4.20 4.24 0.00 3.07 0.23 -0.25 -0.21 115.26 118.14 2j0k n ASN 106 Ca 0.03 -3.13 0.00 0.00 -0.53 0.00 0.00 54.58 50.96 2j0k n ASN 106 Cb 0.31 -0.79 0.00 0.00 -2.08 0.00 0.00 39.78 37.22 2j0k n ASN 106 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 2j0k n VAL 107 N -0.49 0.00 0.00 3.53 0.31 -0.47 -4.22 118.33 116.99 2j0k n VAL 107 Ca 0.40 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.73 2j0k n VAL 107 Cb 1.14 -0.54 -0.00 0.00 -0.91 0.00 0.00 33.84 33.52 2j0k n VAL 107 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2j0k h ARG 108 N 0.00 -0.01 -0.32 5.55 2.43 -0.55 -2.07 114.38 119.40 2j0k h ARG 108 Ca 0.00 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 2j0k h ARG 108 Cb 0.94 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.45 2j0k h ARG 108 CO 0.00 -0.01 -0.18 -1.91 -1.51 0.00 0.00 179.97 176.37 2j0k n GLU 109 N -2.56 -0.13 0.13 0.20 4.07 0.71 0.21 120.64 123.27 2j0k n GLU 109 Ca -0.00 0.49 -0.13 0.00 -0.06 0.00 0.00 57.16 57.46 2j0k n GLU 109 Cb 0.01 -0.73 -0.08 0.00 -0.06 0.00 0.00 31.44 30.58 2j0k n GLU 109 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 2j0k h LYS 110 N 0.00 -0.31 0.02 5.31 3.64 -1.71 -3.01 116.57 120.51 2j0k h LYS 110 Ca 0.07 0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 59.24 2j0k h LYS 110 Cb 0.15 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 2j0k h LYS 110 CO -0.31 -0.01 -1.10 0.74 -2.27 0.00 0.00 179.45 176.51 2j0k h PHE 111 N -0.62 0.08 0.00 1.91 0.04 -0.45 -3.14 116.94 114.75 2j0k h PHE 111 Ca -0.03 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.68 2j0k h PHE 111 Cb 0.45 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.59 2j0k h PHE 111 CO 0.02 1.05 0.00 -1.91 -0.60 0.00 0.00 178.31 176.87 2j0k n GLU 112 N -3.36 0.47 0.00 1.51 2.13 0.13 -1.09 120.64 120.44 2j0k n GLU 112 Ca -0.03 0.03 0.12 0.00 0.66 0.00 0.00 57.16 57.94 2j0k n GLU 112 Cb 0.96 -1.50 0.22 0.00 0.27 0.00 0.00 31.44 31.39 2j0k n GLU 112 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2j0k n LEU 113 N -1.23 0.64 -0.10 4.31 0.00 -1.14 -4.32 117.00 115.15 2j0k n LEU 113 Ca 0.14 -0.10 -0.17 0.00 0.00 0.00 0.00 56.01 55.88 2j0k n LEU 113 Cb 0.19 -0.20 -0.07 0.00 0.00 0.00 0.00 43.42 43.34 2j0k n LEU 113 CO 0.20 0.15 -0.79 0.00 0.00 0.00 0.00 177.39 176.95 2j0k n ALA 114 N -1.38 0.85 -2.38 1.96 0.00 -0.25 -5.05 120.51 114.27 2j0k n ALA 114 Ca 0.06 -0.73 -0.08 0.00 0.00 0.00 0.00 53.44 52.69 2j0k n ALA 114 Cb 0.34 -0.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.60 2j0k n ALA 114 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2j0k s HIS 115 N -2.51 0.44 0.78 0.00 3.76 -0.90 -5.15 115.29 111.71 2j0k s HIS 115 Ca -0.29 -0.89 -0.14 0.00 -0.15 0.00 0.00 55.06 53.59 2j0k s HIS 115 Cb 0.07 -0.33 0.05 0.00 1.11 0.00 0.00 32.58 33.48 2j0k s HIS 115 CO 0.44 -0.31 1.04 -2.30 -0.85 0.00 0.00 174.74 172.76 2j0k n PRO 116 N 0.59 0.30 0.27 8.40 -0.02 -1.26 -4.13 135.00 139.14 2j0k n PRO 116 Ca -0.17 0.17 0.11 0.00 -2.02 0.00 0.00 63.50 61.59 2j0k n PRO 116 Cb 0.59 -2.30 0.74 0.00 -0.02 0.00 0.00 33.50 32.51 2j0k n PRO 116 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2j0k h PRO 117 N -0.66 0.00 -0.79 0.52 0.13 -1.94 -2.86 132.00 126.40 2j0k h PRO 117 Ca -0.47 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.84 2j0k h PRO 117 Cb 1.31 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.39 2j0k h PRO 117 CO 0.45 0.07 0.53 0.93 -0.23 0.00 0.00 178.00 179.76 2j0k h GLU 118 N 0.00 0.35 -0.34 0.86 3.07 -2.03 -3.06 114.58 113.42 2j0k h GLU 118 Ca -0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2j0k h GLU 118 Cb 0.16 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 2j0k h GLU 118 CO 0.01 0.23 0.00 -0.85 -1.40 0.00 0.00 179.01 177.00 2j0k n GLU 119 N -4.47 2.27 -3.79 2.33 0.28 -1.08 -4.96 120.64 111.22 2j0k n GLU 119 Ca 0.16 -2.07 -0.36 0.00 -0.16 0.00 0.00 57.16 54.73 2j0k n GLU 119 Cb 0.61 -1.41 -0.06 0.00 1.43 0.00 0.00 31.44 32.02 2j0k n GLU 119 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2j0k s TRP 120 N -1.22 3.62 -0.26 -1.84 0.52 -1.16 -0.62 118.94 117.97 2j0k s TRP 120 Ca 0.31 0.61 0.02 0.00 0.02 0.00 0.00 56.10 57.07 2j0k s TRP 120 Cb 0.18 -2.01 0.06 0.00 -1.15 0.00 0.00 33.47 30.56 2j0k s TRP 120 CO 0.25 0.69 -0.08 0.21 0.02 0.00 0.00 176.95 178.04 2j0k s LYS 121 N -1.25 2.01 -0.35 4.98 2.20 -0.26 -4.95 119.74 122.12 2j0k s LYS 121 Ca 0.20 -1.29 -0.20 0.00 -0.36 0.00 0.00 55.97 54.32 2j0k s LYS 121 Cb -0.13 -2.82 -0.00 0.00 -1.51 0.00 0.00 37.83 33.36 2j0k s LYS 121 CO 0.09 -0.61 0.60 0.71 -0.36 0.00 0.00 175.35 175.78 2j0k s TYR 122 N 1.17 3.17 -0.09 4.03 1.51 -1.26 -1.46 117.35 124.42 2j0k s TYR 122 Ca -0.07 0.31 0.02 0.00 -1.01 0.00 0.00 57.07 56.33 2j0k s TYR 122 Cb -0.20 -3.06 0.01 0.00 -0.11 0.00 0.00 41.96 38.61 2j0k s TYR 122 CO -0.06 -0.59 -0.13 -1.83 -1.11 0.00 0.00 175.55 171.84 2j0k s GLU 123 N 2.60 1.86 0.14 -0.62 -1.05 -0.26 0.07 118.70 121.44 2j0k s GLU 123 Ca 0.23 -0.44 -0.31 0.00 -0.15 0.00 0.00 54.97 54.30 2j0k s GLU 123 Cb -0.15 -1.60 -0.08 0.00 -0.44 0.00 0.00 34.13 31.87 2j0k s GLU 123 CO 0.14 -0.04 1.30 -1.17 0.95 0.00 0.00 175.26 176.44 2j0k s LEU 124 N 0.91 4.39 0.07 1.83 2.96 0.15 -1.65 118.68 127.34 2j0k s LEU 124 Ca -0.09 2.27 0.00 0.00 -0.22 0.00 0.00 54.13 56.09 2j0k s LEU 124 Cb -0.15 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 2j0k s LEU 124 CO 0.01 -0.54 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.32 2j0k s ARG 125 N 0.56 0.70 -0.18 1.98 0.52 -0.43 -4.59 118.95 117.51 2j0k s ARG 125 Ca 0.59 -1.26 -0.20 0.00 -0.52 0.00 0.00 55.73 54.35 2j0k s ARG 125 Cb -0.35 0.02 -0.03 0.00 0.52 0.00 0.00 34.95 35.11 2j0k s ARG 125 CO 0.33 -0.07 0.57 0.42 0.02 0.00 0.00 175.30 176.57 2j0k s ILE 126 N -3.73 5.08 0.00 1.52 1.01 -1.26 0.90 121.20 124.72 2j0k s ILE 126 Ca 0.09 1.07 0.00 0.00 0.00 0.00 0.00 60.65 61.80 2j0k s ILE 126 Cb 0.06 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.65 2j0k s ILE 126 CO -0.07 0.17 0.00 -1.14 0.00 0.00 0.00 174.94 173.90 2j0k n ARG 127 N 4.72 2.39 -3.88 2.79 0.63 -0.29 -4.89 116.66 118.12 2j0k n ARG 127 Ca -0.04 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.60 2j0k n ARG 127 Cb 0.50 -0.79 -0.14 0.00 0.45 0.00 0.00 32.46 32.48 2j0k n ARG 127 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2j0k s TYR 128 N -1.51 2.82 -0.07 -0.14 1.51 -1.00 -5.01 117.35 113.96 2j0k s TYR 128 Ca 0.00 -2.94 -0.30 0.00 -1.01 0.00 0.00 57.07 52.82 2j0k s TYR 128 Cb 0.00 -2.54 -0.02 0.00 -0.11 0.00 0.00 41.96 39.29 2j0k s TYR 128 CO 0.00 -0.76 1.03 -0.51 -1.11 0.00 0.00 175.55 174.20 2j0k s LEU 129 N -0.08 4.29 1.09 -1.29 1.43 -1.26 -4.45 118.68 118.40 2j0k s LEU 129 Ca 0.17 1.61 -0.12 0.00 -1.03 0.00 0.00 54.13 54.76 2j0k s LEU 129 Cb -0.25 -3.56 0.24 0.00 0.03 0.00 0.00 46.19 42.64 2j0k s LEU 129 CO -0.00 -0.41 1.06 -2.16 0.23 0.00 0.00 176.35 175.06 2j0k s PRO 130 N 1.75 -0.29 0.06 1.29 0.04 -1.26 -4.44 135.00 132.15 2j0k s PRO 130 Ca 0.50 0.80 -0.24 0.00 0.04 0.00 0.00 61.00 62.11 2j0k s PRO 130 Cb -0.20 -1.63 -0.16 0.00 0.04 0.00 0.00 34.50 32.55 2j0k s PRO 130 CO 0.21 -3.29 1.62 -0.22 0.04 0.00 0.00 177.00 175.36 2j0k h LYS 131 N -2.31 0.02 -0.93 4.56 3.64 -1.97 -2.36 116.57 117.22 2j0k h LYS 131 Ca -0.58 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.73 2j0k h LYS 131 Cb 1.32 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.10 2j0k h LYS 131 CO 0.52 0.14 0.09 0.41 -2.27 0.00 0.00 179.45 178.34 2j0k n GLY 132 N -0.74 2.30 0.20 5.01 0.00 -1.26 -4.83 105.19 105.86 2j0k n GLY 132 Ca -0.07 -0.30 -0.05 0.00 0.00 0.00 0.00 46.02 45.60 2j0k n GLY 132 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2j0k n PHE 133 N 0.11 -0.21 0.14 1.61 1.16 -0.89 -1.02 117.46 118.36 2j0k n PHE 133 Ca 0.13 0.59 -0.16 0.00 -1.87 0.00 0.00 57.45 56.14 2j0k n PHE 133 Cb 0.68 -0.49 -0.09 0.00 -1.61 0.00 0.00 39.48 37.97 2j0k n PHE 133 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 2j0k h LEU 134 N 0.00 -1.44 -0.81 5.98 3.38 -1.88 0.15 115.31 120.69 2j0k h LEU 134 Ca 0.08 0.15 0.14 0.00 0.09 0.00 0.00 57.88 58.33 2j0k h LEU 134 Cb 0.19 0.53 -0.14 0.00 0.09 0.00 0.00 40.66 41.33 2j0k h LEU 134 CO -0.45 -0.55 -0.34 -1.13 0.09 0.00 0.00 178.44 176.06 2j0k h ASN 135 N -0.75 -1.23 -0.52 -0.43 -0.00 -1.48 -1.52 115.58 109.65 2j0k h ASN 135 Ca -0.00 0.27 -0.04 0.00 -0.00 0.00 0.00 56.30 56.53 2j0k h ASN 135 Cb 0.75 0.65 -0.03 0.00 -0.00 0.00 0.00 38.32 39.69 2j0k h ASN 135 CO -0.25 -0.29 0.19 -0.61 -0.00 0.00 0.00 177.43 176.47 2j0k h GLN 136 N -0.07 0.84 0.00 6.67 4.15 -0.22 -2.38 115.11 124.10 2j0k h GLN 136 Ca 0.31 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.58 2j0k h GLN 136 Cb 0.58 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.13 2j0k h GLN 136 CO -0.85 0.72 0.00 1.19 -1.93 0.00 0.00 178.83 177.96 2j0k n PHE 137 N -4.31 0.84 -0.11 3.99 0.99 0.35 -2.22 117.46 117.01 2j0k n PHE 137 Ca 0.05 0.33 -0.01 0.00 -0.00 0.00 0.00 57.45 57.81 2j0k n PHE 137 Cb 0.19 -1.03 0.24 0.00 -1.00 0.00 0.00 39.48 37.87 2j0k n PHE 137 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 2j0k h THR 138 N 0.00 1.20 -0.80 4.37 2.02 -1.13 -1.70 112.91 116.88 2j0k h THR 138 Ca 0.00 -0.69 -0.45 0.00 0.77 0.00 0.00 66.41 66.04 2j0k h THR 138 Cb 0.37 0.63 -0.24 0.00 -1.74 0.00 0.00 68.15 67.16 2j0k h THR 138 CO 0.00 0.26 0.57 -0.62 0.37 0.00 0.00 175.52 176.11 2j0k n GLU 139 N -4.31 2.09 -2.80 6.66 1.02 -0.94 -4.32 120.64 118.04 2j0k n GLU 139 Ca 0.04 -2.47 -0.08 0.00 -0.02 0.00 0.00 57.16 54.63 2j0k n GLU 139 Cb 0.19 -1.97 0.03 0.00 -0.02 0.00 0.00 31.44 29.67 2j0k n GLU 139 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2j0k n ASP 140 N -0.73 -2.85 -0.28 1.62 4.64 -0.64 -5.00 116.55 113.31 2j0k n ASP 140 Ca 0.49 -3.12 0.11 0.00 -1.38 0.00 0.00 54.79 50.88 2j0k n ASP 140 Cb 1.24 1.61 0.26 0.00 -1.04 0.00 0.00 41.12 43.19 2j0k n ASP 140 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 2j0k h LYS 141 N 4.37 0.28 -0.79 -0.67 6.56 -1.75 0.71 116.57 125.28 2j0k h LYS 141 Ca -0.06 -0.02 -0.03 0.00 -1.06 0.00 0.00 60.65 59.49 2j0k h LYS 141 Cb 1.04 -0.06 -0.04 0.00 -0.57 0.00 0.00 32.23 32.60 2j0k h LYS 141 CO 0.23 0.19 0.39 -1.35 -2.06 0.00 0.00 179.45 176.85 2j0k h PRO 142 N 0.29 1.13 -0.20 3.15 0.11 -1.87 -2.31 132.00 132.30 2j0k h PRO 142 Ca 0.51 -0.16 -0.06 0.00 0.11 0.00 0.00 66.00 66.41 2j0k h PRO 142 Cb 0.96 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 2j0k h PRO 142 CO -0.57 0.86 -0.10 1.15 -0.21 0.00 0.00 178.00 179.13 2j0k h THR 143 N 1.12 1.31 -0.35 -1.15 2.02 -1.16 0.53 112.91 115.24 2j0k h THR 143 Ca 0.27 -1.18 0.06 0.00 0.77 0.00 0.00 66.41 66.33 2j0k h THR 143 Cb 0.10 1.66 -0.05 0.00 -1.74 0.00 0.00 68.15 68.12 2j0k h THR 143 CO -0.04 0.36 0.05 0.25 0.37 0.00 0.00 175.52 176.50 2j0k h LEU 144 N 0.11 -0.04 -0.14 2.58 5.85 -1.48 0.47 115.31 122.66 2j0k h LEU 144 Ca 0.04 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 2j0k h LEU 144 Cb 0.60 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 2j0k h LEU 144 CO 0.03 0.01 0.07 0.78 -0.34 0.00 0.00 178.44 178.99 2j0k h ASN 145 N 0.16 0.18 -0.30 1.25 4.21 -0.95 0.34 115.58 120.46 2j0k h ASN 145 Ca 0.17 -0.11 0.07 0.00 1.21 0.00 0.00 56.30 57.63 2j0k h ASN 145 Cb 0.20 -0.05 -0.07 0.00 -1.12 0.00 0.00 38.32 37.29 2j0k h ASN 145 CO -0.24 0.24 -0.16 0.15 -1.29 0.00 0.00 177.43 176.13 2j0k h PHE 146 N 0.10 -0.39 0.08 1.19 3.57 0.43 -1.60 116.94 120.32 2j0k h PHE 146 Ca 0.05 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 2j0k h PHE 146 Cb 0.11 0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.07 2j0k h PHE 146 CO -0.03 -0.23 -0.04 0.35 -2.23 0.00 0.00 178.31 176.13 2j0k h PHE 147 N -0.12 -0.10 -0.52 0.41 -0.00 0.39 -0.76 116.94 116.25 2j0k h PHE 147 Ca 0.16 -0.00 0.11 0.00 -0.00 0.00 0.00 57.97 58.23 2j0k h PHE 147 Cb 0.36 0.03 -0.09 0.00 -0.00 0.00 0.00 35.95 36.25 2j0k h PHE 147 CO -0.36 0.02 -0.07 -0.92 -0.00 0.00 0.00 178.31 176.99 2j0k h TYR 148 N -0.19 -0.16 0.03 0.41 3.20 -0.12 -0.01 116.97 120.13 2j0k h TYR 148 Ca -0.01 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2j0k h TYR 148 Cb 0.16 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 2j0k h TYR 148 CO -0.04 -0.18 -0.03 1.96 -1.64 0.00 0.00 178.16 178.22 2j0k h GLN 149 N 0.05 -0.07 -0.57 1.82 1.08 -0.94 0.35 115.11 116.83 2j0k h GLN 149 Ca 0.26 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.51 2j0k h GLN 149 Cb 0.40 0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.80 2j0k h GLN 149 CO -0.49 -0.05 0.31 0.37 -0.95 0.00 0.00 178.83 178.01 2j0k h GLN 150 N -0.08 0.57 -0.22 1.46 4.15 -0.42 0.48 115.11 121.06 2j0k h GLN 150 Ca 0.00 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.34 2j0k h GLN 150 Cb 0.08 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 2j0k h GLN 150 CO -0.01 0.38 -0.06 0.28 -1.93 0.00 0.00 178.83 177.49 2j0k h VAL 151 N 0.59 1.29 -0.63 2.39 2.07 -0.88 -2.74 116.25 118.33 2j0k h VAL 151 Ca 0.25 -1.05 0.03 0.00 0.82 0.00 0.00 66.70 66.74 2j0k h VAL 151 Cb 0.13 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 2j0k h VAL 151 CO -0.16 0.32 0.38 0.50 0.02 0.00 0.00 177.57 178.64 2j0k h LYS 152 N 0.17 0.73 -0.41 1.57 3.64 0.21 -0.80 116.57 121.67 2j0k h LYS 152 Ca 0.06 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 2j0k h LYS 152 Cb 0.52 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.11 2j0k h LYS 152 CO 0.02 0.48 0.05 -0.97 -2.27 0.00 0.00 179.45 176.76 2j0k h ASN 153 N 0.75 -0.06 -0.62 4.20 -1.24 -0.06 -2.34 115.58 116.21 2j0k h ASN 153 Ca 0.26 0.08 -0.05 0.00 0.71 0.00 0.00 56.30 57.30 2j0k h ASN 153 Cb 0.04 0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.18 2j0k h ASN 153 CO -0.11 0.00 0.20 0.44 -1.29 0.00 0.00 177.43 176.67 2j0k h ASP 154 N 0.17 0.90 -0.27 1.15 3.32 -1.10 -1.43 116.42 119.16 2j0k h ASP 154 Ca 0.20 -0.21 0.05 0.00 0.02 0.00 0.00 57.03 57.09 2j0k h ASP 154 Cb 0.26 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 2j0k h ASP 154 CO -0.29 0.86 -0.02 0.22 -1.72 0.00 0.00 179.24 178.29 2j0k h TYR 155 N 0.88 -0.05 -0.45 4.55 3.20 -0.85 0.69 116.97 124.94 2j0k h TYR 155 Ca 0.20 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.09 2j0k h TYR 155 Cb 0.28 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 2j0k h TYR 155 CO 0.02 -0.07 0.29 0.52 -1.64 0.00 0.00 178.16 177.28 2j0k h MET 156 N 0.06 0.60 -0.00 1.82 2.86 -1.25 0.30 114.93 119.32 2j0k h MET 156 Ca 0.13 -0.04 -0.18 0.00 -2.06 0.00 0.00 59.70 57.55 2j0k h MET 156 Cb 0.18 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 2j0k h MET 156 CO -0.24 0.41 -0.82 -0.07 1.06 0.00 0.00 176.91 177.25 2j0k h LEU 157 N 0.60 0.14 0.00 1.22 4.07 -0.47 -3.37 115.31 117.49 2j0k h LEU 157 Ca 0.16 -0.11 -0.40 0.00 0.08 0.00 0.00 57.88 57.61 2j0k h LEU 157 Cb -0.05 -0.04 -0.06 0.00 1.08 0.00 0.00 40.66 41.59 2j0k h LEU 157 CO -0.03 0.89 -2.34 -0.62 -1.08 0.00 0.00 178.44 175.26 2j0k n GLU 158 N -3.64 0.51 0.00 1.13 1.02 0.23 -4.89 120.64 115.00 2j0k n GLU 158 Ca -0.02 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 2j0k n GLU 158 Cb 0.77 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 2j0k n GLU 158 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 2j0k n ILE 159 N -4.09 0.00 -0.24 -3.67 -6.64 -0.88 -4.84 119.36 98.99 2j0k n ILE 159 Ca -0.48 -0.24 0.03 0.00 -1.77 0.00 0.00 62.75 60.30 2j0k n ILE 159 Cb 0.84 0.92 0.13 0.00 -1.44 0.00 0.00 39.64 40.08 2j0k n ILE 159 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2j0k h ALA 160 N 0.00 0.69 -0.42 -1.28 0.00 -0.59 -0.86 119.26 116.80 2j0k h ALA 160 Ca 0.00 0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.23 2j0k h ALA 160 Cb 0.00 0.41 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 2j0k h ALA 160 CO 0.00 -0.42 -0.21 -0.44 0.00 0.00 0.00 179.25 178.18 2j0k h ASP 161 N 0.09 -0.72 -2.12 0.00 3.45 -1.84 -2.65 116.42 112.64 2j0k h ASP 161 Ca 0.38 0.16 -0.77 0.00 0.43 0.00 0.00 57.03 57.23 2j0k h ASP 161 Cb 0.64 0.39 -0.29 0.00 -0.56 0.00 0.00 39.33 39.51 2j0k h ASP 161 CO -0.64 -0.24 0.88 0.00 -1.57 0.00 0.00 179.24 177.67 2j0k n GLN 162 N -5.39 4.15 -4.27 3.56 0.00 -0.35 -4.83 117.38 110.26 2j0k n GLN 162 Ca 0.03 -4.21 -0.24 0.00 0.00 0.00 0.00 57.00 52.58 2j0k n GLN 162 Cb 0.30 -2.37 -0.08 0.00 0.00 0.00 0.00 30.24 28.09 2j0k n GLN 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2j0k s VAL 163 N -4.70 2.81 0.69 -0.39 0.11 -1.00 -5.02 120.40 112.90 2j0k s VAL 163 Ca 0.45 -1.90 -0.17 0.00 -2.93 0.00 0.00 61.98 57.44 2j0k s VAL 163 Cb 0.31 -2.84 0.02 0.00 -1.53 0.00 0.00 36.38 32.33 2j0k s VAL 163 CO -0.25 -0.21 1.25 -1.81 -3.33 0.00 0.00 175.10 170.75 2j0k s ASP 164 N -3.74 4.37 0.08 3.54 -0.00 -1.26 -4.81 116.67 114.85 2j0k s ASP 164 Ca 0.35 2.50 -0.19 0.00 -0.00 0.00 0.00 52.55 55.21 2j0k s ASP 164 Cb -0.01 -2.60 -0.09 0.00 -0.00 0.00 0.00 42.92 40.21 2j0k s ASP 164 CO 0.20 -2.15 1.52 -0.61 -0.00 0.00 0.00 175.17 174.13 2j0k h GLN 165 N 0.12 0.40 -0.91 8.23 4.15 -1.98 -0.63 115.11 124.49 2j0k h GLN 165 Ca -0.49 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 58.80 2j0k h GLN 165 Cb 1.32 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.92 2j0k h GLN 165 CO 0.51 0.57 0.57 0.93 -1.93 0.00 0.00 178.83 179.49 2j0k h GLU 166 N 0.17 1.22 0.35 1.69 5.08 -1.99 -2.31 114.58 118.79 2j0k h GLU 166 Ca 0.07 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2j0k h GLU 166 Cb 0.39 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2j0k h GLU 166 CO 0.01 0.83 -0.17 0.82 -1.00 0.00 0.00 179.01 179.51 2j0k h ILE 167 N 1.24 0.66 0.06 3.13 1.08 -1.83 -0.51 117.51 121.34 2j0k h ILE 167 Ca 0.33 -0.40 0.02 0.00 -0.39 0.00 0.00 64.86 64.42 2j0k h ILE 167 Cb -0.09 0.86 -0.05 0.00 -3.07 0.00 0.00 36.82 34.47 2j0k h ILE 167 CO -0.07 0.08 -0.47 0.00 -0.69 0.00 0.00 178.15 177.01 2j0k h ALA 168 N -0.15 -0.81 -0.59 1.87 0.00 -1.09 -0.05 119.26 118.43 2j0k h ALA 168 Ca -0.05 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.87 2j0k h ALA 168 Cb 0.49 0.80 -0.10 0.00 0.00 0.00 0.00 17.79 18.98 2j0k h ALA 168 CO 0.08 -1.03 -0.49 -0.07 0.00 0.00 0.00 179.25 177.73 2j0k h LEU 169 N -0.66 -1.70 -0.78 0.00 3.38 -1.41 0.10 115.31 114.25 2j0k h LEU 169 Ca 0.02 0.26 0.10 0.00 0.09 0.00 0.00 57.88 58.35 2j0k h LEU 169 Cb 0.70 0.75 -0.07 0.00 0.09 0.00 0.00 40.66 42.13 2j0k h LEU 169 CO -0.30 -0.34 0.43 0.11 0.09 0.00 0.00 178.44 178.43 2j0k h LYS 170 N -0.24 0.69 0.55 1.13 1.57 -0.68 -2.57 116.57 117.02 2j0k h LYS 170 Ca 0.15 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 2j0k h LYS 170 Cb 0.56 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.71 2j0k h LYS 170 CO -0.70 0.46 -0.26 -0.07 -0.57 0.00 0.00 179.45 178.30 2j0k h LEU 171 N 0.71 -0.63 -0.96 2.94 3.38 0.59 -3.20 115.31 118.16 2j0k h LEU 171 Ca 0.38 0.02 0.25 0.00 0.09 0.00 0.00 57.88 58.62 2j0k h LEU 171 Cb 0.37 0.16 -0.18 0.00 0.09 0.00 0.00 40.66 41.10 2j0k h LEU 171 CO -0.26 -0.33 -0.02 0.61 0.09 0.00 0.00 178.44 178.53 2j0k n GLY 172 N -0.53 -1.35 0.38 0.83 0.00 0.20 -1.03 105.19 103.69 2j0k n GLY 172 Ca -0.09 0.95 0.00 0.00 0.00 0.00 0.00 46.02 46.89 2j0k n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j0k h LEU 174 N 1.27 0.50 -0.67 0.00 3.38 -1.08 0.38 115.31 119.09 2j0k h LEU 174 Ca 0.41 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 58.13 2j0k h LEU 174 Cb 0.02 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2j0k h LEU 174 CO -0.13 0.64 -0.30 -0.08 0.09 0.00 0.00 178.44 178.66 2j0k h GLU 175 N 0.48 0.71 0.23 1.13 4.57 -1.36 0.58 114.58 120.92 2j0k h GLU 175 Ca 0.09 -0.32 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 2j0k h GLU 175 Cb 0.48 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 2j0k h GLU 175 CO 0.03 0.92 -0.11 0.82 -1.18 0.00 0.00 179.01 179.49 2j0k h ILE 176 N 0.61 0.78 -0.52 2.32 5.03 -0.92 -0.49 117.51 124.32 2j0k h ILE 176 Ca 0.07 -0.03 0.04 0.00 -0.12 0.00 0.00 64.86 64.82 2j0k h ILE 176 Cb 0.81 0.80 -0.04 0.00 -3.03 0.00 0.00 36.82 35.36 2j0k h ILE 176 CO 0.07 0.01 0.28 -0.09 -0.68 0.00 0.00 178.15 177.73 2j0k h ARG 177 N -0.32 0.52 -0.11 2.37 9.65 0.17 -1.27 114.38 125.39 2j0k h ARG 177 Ca -0.03 -0.03 -0.16 0.00 -1.10 0.00 0.00 59.98 58.66 2j0k h ARG 177 Cb 0.24 -0.12 0.01 0.00 -1.39 0.00 0.00 29.97 28.71 2j0k h ARG 177 CO 0.05 0.34 -0.54 -0.09 2.80 0.00 0.00 179.97 182.54 2j0k h ARG 178 N 0.54 0.56 -0.30 0.20 2.43 0.12 -3.34 114.38 114.60 2j0k h ARG 178 Ca 0.23 -0.45 -0.04 0.00 -0.81 0.00 0.00 59.98 58.90 2j0k h ARG 178 Cb 0.12 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2j0k h ARG 178 CO -0.15 1.08 0.03 1.03 -1.51 0.00 0.00 179.97 180.45 2j0k h SER 179 N 0.18 0.50 -2.77 -3.80 0.87 -0.81 -3.31 113.55 104.41 2j0k h SER 179 Ca -0.03 -0.28 -0.78 0.00 -1.23 0.00 0.00 61.79 59.47 2j0k h SER 179 Cb 1.18 -0.13 -0.30 0.00 -0.44 0.00 0.00 62.40 62.70 2j0k h SER 179 CO 0.11 0.65 0.57 -1.22 -0.53 0.00 0.00 176.83 176.42 2j0k n TYR 180 N -4.60 2.47 -0.25 2.24 4.02 -0.50 -4.87 117.16 115.66 2j0k n TYR 180 Ca -0.02 -2.82 -0.01 0.00 -0.01 0.00 0.00 57.90 55.04 2j0k n TYR 180 Cb 0.23 -1.14 0.11 0.00 -0.02 0.00 0.00 39.34 38.53 2j0k n TYR 180 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2j0k h GLY 181 N 5.17 1.07 0.65 2.72 0.00 -1.71 -3.10 103.07 107.87 2j0k h GLY 181 Ca 0.21 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2j0k h GLY 181 CO 1.25 0.18 -0.03 -2.21 0.00 0.00 0.00 176.54 175.73 2j0k n GLU 182 N -4.75 1.05 -3.17 4.80 4.07 -1.26 -4.83 120.64 116.56 2j0k n GLU 182 Ca 0.10 -0.29 -0.38 0.00 -0.06 0.00 0.00 57.16 56.52 2j0k n GLU 182 Cb 0.18 -1.49 -0.06 0.00 -0.06 0.00 0.00 31.44 30.01 2j0k n GLU 182 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2j0k s MET 183 N -2.15 4.29 0.55 5.31 0.23 -1.17 -4.89 119.30 121.47 2j0k s MET 183 Ca 0.40 0.85 -0.16 0.00 -1.03 0.00 0.00 55.69 55.75 2j0k s MET 183 Cb 0.21 -3.16 -0.06 0.00 -1.53 0.00 0.00 34.83 30.29 2j0k s MET 183 CO 0.39 0.57 1.02 1.03 -2.03 0.00 0.00 175.02 176.00 2j0k s ARG 184 N -1.33 3.66 0.23 3.16 3.00 -1.26 -4.98 118.95 121.42 2j0k s ARG 184 Ca 0.34 1.05 -0.06 0.00 0.00 0.00 0.00 55.73 57.06 2j0k s ARG 184 Cb -0.20 -2.09 0.36 0.00 0.00 0.00 0.00 34.95 33.02 2j0k s ARG 184 CO 0.21 -0.52 1.78 0.78 0.00 0.00 0.00 175.30 177.55 2j0k h GLY 185 N 0.65 1.12 0.08 -3.53 0.00 -1.98 -2.68 103.07 96.74 2j0k h GLY 185 Ca -0.47 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.63 2j0k h GLY 185 CO 0.60 0.06 0.00 1.16 0.00 0.00 0.00 176.54 178.36 2j0k n ASN 186 N -4.85 0.00 -0.25 0.19 0.23 -1.26 -4.00 115.26 105.32 2j0k n ASN 186 Ca 0.12 -1.36 -0.07 0.00 -0.53 0.00 0.00 54.58 52.74 2j0k n ASN 186 Cb 0.29 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.04 2j0k n ASN 186 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2j0k h ALA 187 N 2.50 0.97 0.00 -2.53 0.00 -1.87 -2.89 119.26 115.45 2j0k h ALA 187 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2j0k h ALA 187 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2j0k h ALA 187 CO 0.00 0.67 0.00 1.28 0.00 0.00 0.00 179.25 181.20 2j0k n LEU 188 N -4.23 0.00 -1.93 0.00 4.77 -1.26 -2.04 117.00 112.31 2j0k n LEU 188 Ca 0.05 0.29 -0.19 0.00 -0.03 0.00 0.00 56.01 56.13 2j0k n LEU 188 Cb 0.26 -0.29 0.10 0.00 -2.33 0.00 0.00 43.42 41.16 2j0k n LEU 188 CO 0.42 -0.09 1.14 -0.62 -1.33 0.00 0.00 177.39 176.91 2j0k n GLU 189 N -1.29 1.97 -3.84 3.23 -0.58 -1.09 -4.62 120.64 114.42 2j0k n GLU 189 Ca 0.10 -2.17 -0.28 0.00 -0.42 0.00 0.00 57.16 54.39 2j0k n GLU 189 Cb 0.17 -1.85 -0.16 0.00 -0.57 0.00 0.00 31.44 29.02 2j0k n GLU 189 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2j0k s LYS 190 N -2.42 1.14 0.35 3.49 1.02 -0.87 -5.05 119.74 117.39 2j0k s LYS 190 Ca 0.42 -0.52 0.14 0.00 0.02 0.00 0.00 55.97 56.03 2j0k s LYS 190 Cb 0.34 -2.06 1.13 0.00 -0.52 0.00 0.00 37.83 36.72 2j0k s LYS 190 CO 0.05 -0.52 1.57 1.63 -0.92 0.00 0.00 175.35 177.16 2j0k n LYS 191 N 4.92 -0.07 -0.02 1.68 5.02 -1.26 -0.70 118.16 127.72 2j0k n LYS 191 Ca -0.11 1.42 -0.12 0.00 -2.02 0.00 0.00 58.31 57.48 2j0k n LYS 191 Cb 0.47 -2.44 -0.08 0.00 -0.02 0.00 0.00 35.03 32.96 2j0k n LYS 191 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2j0k h SER 192 N 0.00 0.13 0.52 4.39 4.64 -1.96 -1.54 113.55 119.73 2j0k h SER 192 Ca 0.76 -0.35 -0.02 0.00 -0.47 0.00 0.00 61.79 61.71 2j0k h SER 192 Cb 1.87 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.90 2j0k h SER 192 CO -0.83 0.45 -0.43 0.78 -0.87 0.00 0.00 176.83 175.92 2j0k h ASN 193 N -0.19 -1.16 -0.57 4.97 4.21 -1.19 -0.47 115.58 121.17 2j0k h ASN 193 Ca 0.02 0.09 0.12 0.00 1.21 0.00 0.00 56.30 57.73 2j0k h ASN 193 Cb 0.39 0.37 -0.10 0.00 -1.12 0.00 0.00 38.32 37.86 2j0k h ASN 193 CO 0.01 -0.62 -0.05 0.22 -1.29 0.00 0.00 177.43 175.70 2j0k h TYR 194 N -0.94 -0.13 -0.47 1.19 3.20 -1.47 -1.13 116.97 117.21 2j0k h TYR 194 Ca -0.06 0.05 0.09 0.00 3.14 0.00 0.00 58.73 61.95 2j0k h TYR 194 Cb 0.81 0.15 -0.09 0.00 1.54 0.00 0.00 36.73 39.14 2j0k h TYR 194 CO -0.19 -0.18 -0.10 0.93 -1.64 0.00 0.00 178.16 176.98 2j0k h GLU 195 N 0.07 0.01 -0.84 1.82 5.08 -0.75 0.12 114.58 120.10 2j0k h GLU 195 Ca 0.29 -0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.82 2j0k h GLU 195 Cb 0.46 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 2j0k h GLU 195 CO -0.52 0.01 0.55 0.28 -1.00 0.00 0.00 179.01 178.33 2j0k h VAL 196 N 0.02 0.75 -0.09 3.13 2.07 0.18 0.27 116.25 122.58 2j0k h VAL 196 Ca 0.23 -0.16 -0.14 0.00 0.82 0.00 0.00 66.70 67.45 2j0k h VAL 196 Cb 0.35 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2j0k h VAL 196 CO -0.47 0.08 -0.50 -0.07 0.02 0.00 0.00 177.57 176.62 2j0k h LEU 197 N 0.46 0.60 -0.40 2.57 3.38 -0.50 -1.29 115.31 120.12 2j0k h LEU 197 Ca 0.42 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2j0k h LEU 197 Cb 0.96 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2j0k h LEU 197 CO -0.16 1.16 0.25 -0.08 0.09 0.00 0.00 178.44 179.70 2j0k h GLU 198 N 0.08 0.54 0.00 1.13 4.81 0.16 0.12 114.58 121.41 2j0k h GLU 198 Ca -0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2j0k h GLU 198 Cb 1.16 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.42 2j0k h GLU 198 CO 0.10 0.39 0.00 1.17 -0.73 0.00 0.00 179.01 179.94 2j0k n LYS 199 N -4.78 4.82 -0.00 1.92 4.81 0.69 -3.98 118.16 121.64 2j0k n LYS 199 Ca 0.00 -0.11 -0.00 0.00 -0.87 0.00 0.00 58.31 57.34 2j0k n LYS 199 Cb 0.04 -0.58 -0.00 0.00 0.02 0.00 0.00 35.03 34.51 2j0k n LYS 199 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2j0k n ASP 200 N -0.72 2.86 0.00 3.14 8.00 -0.89 -4.83 116.55 124.11 2j0k n ASP 200 Ca 0.00 -0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 2j0k n ASP 200 Cb 0.00 -0.01 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 2j0k n ASP 200 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2j0k h VAL 201 N -0.00 0.91 -0.85 2.53 2.07 -1.32 -3.50 116.25 116.08 2j0k h VAL 201 Ca -0.01 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.14 2j0k h VAL 201 Cb 1.01 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 2j0k h VAL 201 CO -0.00 0.73 0.00 0.61 0.02 0.00 0.00 177.57 178.93 2j0k n GLY 202 N 1.79 -1.07 0.27 2.17 0.00 0.41 -4.72 105.19 104.03 2j0k n GLY 202 Ca -0.27 -0.85 0.18 0.00 0.00 0.00 0.00 46.02 45.08 2j0k n GLY 202 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2j0k h LEU 203 N 0.00 0.00 -2.00 0.99 3.38 -1.69 -1.72 115.31 114.26 2j0k h LEU 203 Ca 0.00 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.14 2j0k h LEU 203 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2j0k h LEU 203 CO 0.00 0.00 0.43 0.08 0.09 0.00 0.00 178.44 179.04 2j0k h ARG 204 N 0.00 0.00 0.00 1.13 0.11 -1.90 0.36 114.38 114.08 2j0k h ARG 204 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2j0k h ARG 204 Cb 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 2j0k h ARG 204 CO 0.00 0.00 0.00 0.54 0.10 0.00 0.00 179.97 180.61 2j0k n ARG 205 N -4.30 0.07 0.00 0.08 3.00 -0.65 -3.37 116.66 111.50 2j0k n ARG 205 Ca 0.11 0.26 0.00 0.00 -0.01 0.00 0.00 57.85 58.21 2j0k n ARG 205 Cb 0.67 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.63 2j0k n ARG 205 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2j0k n PHE 206 N -1.33 0.00 -3.97 -1.55 3.01 0.97 -5.04 117.46 109.56 2j0k n PHE 206 Ca 0.03 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.40 2j0k n PHE 206 Cb 0.06 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.42 2j0k n PHE 206 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2j0k s PHE 207 N -0.39 0.25 0.59 1.38 0.40 0.42 -4.17 117.98 116.47 2j0k s PHE 207 Ca 0.00 -0.52 -0.16 0.00 -0.60 0.00 0.00 56.93 55.65 2j0k s PHE 207 Cb 0.00 -0.18 -0.04 0.00 0.51 0.00 0.00 43.02 43.31 2j0k s PHE 207 CO 0.00 -0.24 1.06 -1.25 0.70 0.00 0.00 175.22 175.49 2j0k s PRO 208 N -1.77 3.32 0.57 0.24 0.04 -1.26 -4.28 135.00 131.86 2j0k s PRO 208 Ca -0.13 1.22 0.30 0.00 0.04 0.00 0.00 61.00 62.44 2j0k s PRO 208 Cb -0.07 -2.03 1.75 0.00 0.04 0.00 0.00 34.50 34.19 2j0k s PRO 208 CO -0.02 -0.81 2.21 -0.22 0.04 0.00 0.00 177.00 178.20 2j0k h LYS 209 N 0.48 0.00 -0.30 4.56 3.64 -1.97 -2.78 116.57 120.20 2j0k h LYS 209 Ca -0.47 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.89 2j0k h LYS 209 Cb 1.22 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 2j0k h LYS 209 CO 0.57 0.04 0.12 0.66 -2.27 0.00 0.00 179.45 178.58 2j0k h SER 210 N 0.00 0.40 0.55 4.20 4.64 -1.91 -2.29 113.55 119.14 2j0k h SER 210 Ca -0.00 -0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.14 2j0k h SER 210 Cb 0.11 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2j0k h SER 210 CO 0.00 0.45 -0.26 0.25 -0.87 0.00 0.00 176.83 176.40 2j0k h LEU 211 N 0.33 -0.63 -1.29 5.97 6.46 -1.82 -2.90 115.31 121.45 2j0k h LEU 211 Ca 0.10 -0.04 0.19 0.00 -0.12 0.00 0.00 57.88 58.01 2j0k h LEU 211 Cb 0.17 0.16 -0.08 0.00 -0.73 0.00 0.00 40.66 40.18 2j0k h LEU 211 CO -0.01 -0.25 0.61 -0.07 -0.62 0.00 0.00 178.44 178.09 2j0k h LEU 212 N -1.07 0.59 -0.15 2.25 3.38 -1.57 -1.57 115.31 117.18 2j0k h LEU 212 Ca -0.08 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 2j0k h LEU 212 Cb 0.63 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2j0k h LEU 212 CO 0.12 0.23 -0.46 0.44 0.09 0.00 0.00 178.44 178.86 2j0k h ASP 213 N 0.59 0.66 -0.18 -0.43 3.45 -1.46 -3.36 116.42 115.69 2j0k h ASP 213 Ca 0.51 -0.60 0.00 0.00 0.43 0.00 0.00 57.03 57.37 2j0k h ASP 213 Cb 1.01 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 39.59 2j0k h ASP 213 CO -0.26 1.15 0.00 -1.54 -1.57 0.00 0.00 179.24 177.02 2j0k n SER 214 N -4.23 1.27 -3.92 6.45 3.41 -0.60 -4.77 113.62 111.23 2j0k n SER 214 Ca -0.07 -1.79 -0.14 0.00 -0.26 0.00 0.00 58.87 56.61 2j0k n SER 214 Cb 0.57 -0.12 -0.14 0.00 -0.26 0.00 0.00 64.21 64.27 2j0k n SER 214 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2j0k s VAL 215 N -1.77 0.21 0.23 -3.33 0.11 -1.19 -5.08 120.40 109.58 2j0k s VAL 215 Ca 0.25 -0.14 -0.31 0.00 -2.93 0.00 0.00 61.98 58.85 2j0k s VAL 215 Cb 0.13 -0.19 -0.11 0.00 -1.53 0.00 0.00 36.38 34.68 2j0k s VAL 215 CO 0.19 0.05 1.62 -0.54 -3.33 0.00 0.00 175.10 173.09 2j0k s LYS 216 N -0.10 4.16 0.35 1.54 1.02 -1.26 -4.83 119.74 120.61 2j0k s LYS 216 Ca 0.01 2.52 0.03 0.00 0.02 0.00 0.00 55.97 58.55 2j0k s LYS 216 Cb -0.01 -3.08 0.64 0.00 -0.52 0.00 0.00 37.83 34.86 2j0k s LYS 216 CO -0.00 -0.65 1.95 0.00 -0.92 0.00 0.00 175.35 175.73 2j0k h ALA 217 N 5.99 1.48 -0.44 5.17 0.00 -1.96 -1.13 119.26 128.37 2j0k h ALA 217 Ca -0.44 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 2j0k h ALA 217 Cb 1.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2j0k h ALA 217 CO 0.88 0.41 -0.01 0.87 0.00 0.00 0.00 179.25 181.40 2j0k h LYS 218 N 0.68 0.73 -0.17 0.00 1.57 -2.01 -1.77 116.57 115.61 2j0k h LYS 218 Ca 0.17 -0.19 -0.21 0.00 -1.87 0.00 0.00 60.65 58.55 2j0k h LYS 218 Cb 0.09 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.32 2j0k h LYS 218 CO -0.02 0.75 -0.73 1.15 -0.57 0.00 0.00 179.45 180.04 2j0k h THR 219 N 0.68 1.29 -0.97 -0.16 2.02 -1.77 -3.14 112.91 110.86 2j0k h THR 219 Ca 0.13 -1.95 0.14 0.00 0.77 0.00 0.00 66.41 65.50 2j0k h THR 219 Cb 0.44 1.93 -0.09 0.00 -1.74 0.00 0.00 68.15 68.69 2j0k h THR 219 CO 0.02 0.62 0.59 0.25 0.37 0.00 0.00 175.52 177.36 2j0k h LEU 220 N 0.52 0.82 -0.64 2.58 5.85 -0.87 -0.75 115.31 122.81 2j0k h LEU 220 Ca -0.04 0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.85 2j0k h LEU 220 Cb 1.34 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.21 2j0k h LEU 220 CO 0.15 0.39 0.25 -0.09 -0.34 0.00 0.00 178.44 178.80 2j0k h ARG 221 N 0.87 0.43 0.21 1.25 2.43 -1.28 -1.92 114.38 116.37 2j0k h ARG 221 Ca 0.51 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.64 2j0k h ARG 221 Cb 0.61 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2j0k h ARG 221 CO -0.31 0.28 -0.14 0.87 -1.51 0.00 0.00 179.97 179.17 2j0k h LYS 222 N 0.44 -0.32 -0.88 0.20 1.57 -1.21 -2.52 116.57 113.86 2j0k h LYS 222 Ca 0.33 0.02 0.29 0.00 -1.87 0.00 0.00 60.65 59.42 2j0k h LYS 222 Cb 0.40 0.07 -0.16 0.00 0.08 0.00 0.00 32.23 32.62 2j0k h LYS 222 CO -0.31 -0.21 0.20 1.28 -0.57 0.00 0.00 179.45 179.84 2j0k n LEU 223 N -3.07 0.06 0.30 2.94 4.77 -0.64 -0.30 117.00 121.06 2j0k n LEU 223 Ca -0.04 1.48 -0.12 0.00 -0.03 0.00 0.00 56.01 57.29 2j0k n LEU 223 Cb 0.14 -0.61 -0.06 0.00 -2.33 0.00 0.00 43.42 40.56 2j0k n LEU 223 CO 0.09 -1.56 0.32 0.40 -1.33 0.00 0.00 177.39 175.32 2j0k h ILE 224 N 0.00 0.01 -0.97 -0.08 2.04 -1.35 -1.53 117.51 115.63 2j0k h ILE 224 Ca 0.62 -0.41 0.32 0.00 1.00 0.00 0.00 64.86 66.38 2j0k h ILE 224 Cb 1.45 0.02 -0.16 0.00 -0.74 0.00 0.00 36.82 37.39 2j0k h ILE 224 CO -0.76 0.00 0.37 1.56 0.00 0.00 0.00 178.15 179.32 2j0k h GLN 225 N -1.21 0.14 0.43 2.37 4.20 -0.19 0.25 115.11 121.10 2j0k h GLN 225 Ca -0.08 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 2j0k h GLN 225 Cb 0.62 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.37 2j0k h GLN 225 CO 0.13 0.09 -0.21 1.96 -0.67 0.00 0.00 178.83 180.14 2j0k h GLN 226 N 0.15 -0.56 0.00 1.46 4.20 -1.09 -2.97 115.11 116.29 2j0k h GLN 226 Ca 0.69 0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.44 2j0k h GLN 226 Cb 1.60 0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.50 2j0k h GLN 226 CO -0.73 -0.37 0.00 0.25 -0.67 0.00 0.00 178.83 177.31 2j0k n THR 227 N -3.99 1.28 0.12 -0.54 -2.24 -0.58 -0.83 114.28 107.50 2j0k n THR 227 Ca -0.07 0.39 -0.01 0.00 -2.27 0.00 0.00 64.05 62.09 2j0k n THR 227 Cb 0.23 -1.28 0.02 0.00 -2.10 0.00 0.00 70.33 67.19 2j0k n THR 227 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2j0k h PHE 228 N 0.00 0.00 -0.45 4.78 3.57 -0.49 -3.31 116.94 121.05 2j0k h PHE 228 Ca 0.00 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 2j0k h PHE 228 Cb 0.16 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.82 2j0k h PHE 228 CO 0.00 0.68 -0.03 0.00 -2.23 0.00 0.00 178.31 176.73 2j0k h ARG 229 N 0.00 0.08 -0.02 1.11 3.08 -0.82 -1.92 114.38 115.89 2j0k h ARG 229 Ca -0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2j0k h ARG 229 Cb 1.46 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.49 2j0k h ARG 229 CO 0.09 0.05 0.02 -0.56 -1.07 0.00 0.00 179.97 178.50 2j0k h GLN 230 N 0.08 0.00 -0.40 0.04 3.07 -1.71 -0.61 115.11 115.57 2j0k h GLN 230 Ca 0.22 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.77 2j0k h GLN 230 Cb 0.33 0.00 -0.11 0.00 0.08 0.00 0.00 27.48 27.78 2j0k h GLN 230 CO -0.39 0.00 -0.00 1.19 0.09 0.00 0.00 178.83 179.72 2j0k n PHE 231 N -3.63 1.26 0.39 0.06 0.99 -0.74 -4.83 117.46 110.96 2j0k n PHE 231 Ca -0.03 -1.53 -0.19 0.00 -0.00 0.00 0.00 57.45 55.70 2j0k n PHE 231 Cb 0.10 -0.51 -0.10 0.00 -1.00 0.00 0.00 39.48 37.97 2j0k n PHE 231 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2j0k h ALA 232 N 1.11 -1.16 -1.97 4.37 0.00 -0.84 -3.31 119.26 117.46 2j0k h ALA 232 Ca 0.23 -0.22 -0.76 0.00 0.00 0.00 0.00 54.91 54.16 2j0k h ALA 232 Cb 1.75 0.59 -0.31 0.00 0.00 0.00 0.00 17.79 19.82 2j0k h ALA 232 CO 0.44 -1.17 0.47 0.09 0.00 0.00 0.00 179.25 179.08 2j0k n ASN 233 N -5.59 5.84 -3.91 0.00 3.02 -1.26 -4.59 115.26 108.77 2j0k n ASN 233 Ca -0.14 -3.43 -0.28 0.00 -0.03 0.00 0.00 54.58 50.71 2j0k n ASN 233 Cb 0.47 -1.13 -0.17 0.00 -0.61 0.00 0.00 39.78 38.34 2j0k n ASN 233 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2j0k s LEU 234 N -2.76 1.37 1.19 3.41 1.02 -1.25 -5.13 118.68 116.53 2j0k s LEU 234 Ca 0.33 -0.43 -0.18 0.00 0.02 0.00 0.00 54.13 53.87 2j0k s LEU 234 Cb 0.08 -0.90 0.28 0.00 0.02 0.00 0.00 46.19 45.66 2j0k s LEU 234 CO 0.08 -0.13 1.07 0.54 0.02 0.00 0.00 176.35 177.93 2j0k s ASN 235 N 1.66 0.98 0.23 2.29 2.20 -1.26 -4.69 114.94 116.36 2j0k s ASN 235 Ca 0.04 0.86 -0.06 0.00 -0.94 0.00 0.00 52.86 52.76 2j0k s ASN 235 Cb -0.13 -1.26 0.40 0.00 -2.00 0.00 0.00 41.25 38.25 2j0k s ASN 235 CO -0.08 -4.11 1.74 0.03 -2.94 0.00 0.00 177.10 171.73 2j0k h ARG 236 N -2.57 0.43 -0.02 3.55 3.08 -1.88 -2.25 114.38 114.72 2j0k h ARG 236 Ca -0.49 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.54 2j0k h ARG 236 Cb 1.31 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.27 2j0k h ARG 236 CO 0.40 0.28 0.01 1.49 -1.07 0.00 0.00 179.97 181.09 2j0k h GLU 237 N 0.44 0.03 -0.13 0.04 4.81 -1.97 -2.74 114.58 115.06 2j0k h GLU 237 Ca 0.38 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.50 2j0k h GLU 237 Cb 0.54 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 2j0k h GLU 237 CO -0.37 0.11 -0.39 0.93 -0.73 0.00 0.00 179.01 178.56 2j0k h GLU 238 N -0.05 0.29 -0.18 1.92 5.08 -1.85 -2.76 114.58 117.02 2j0k h GLU 238 Ca 0.01 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2j0k h GLU 238 Cb 0.08 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2j0k h GLU 238 CO -0.00 0.64 -0.03 0.77 -1.00 0.00 0.00 179.01 179.38 2j0k h SER 239 N 0.24 -0.14 -0.69 1.42 0.02 -1.30 0.14 113.55 113.24 2j0k h SER 239 Ca 0.02 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2j0k h SER 239 Cb 0.80 0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.40 2j0k h SER 239 CO 0.06 -0.05 0.44 0.40 -1.14 0.00 0.00 176.83 176.55 2j0k h ILE 240 N 0.02 1.14 -0.14 3.27 2.04 -1.24 0.57 117.51 123.17 2j0k h ILE 240 Ca 0.09 -0.30 -0.17 0.00 1.00 0.00 0.00 64.86 65.47 2j0k h ILE 240 Cb 0.13 0.17 0.01 0.00 -0.74 0.00 0.00 36.82 36.38 2j0k h ILE 240 CO -0.18 0.16 -0.59 -0.07 0.00 0.00 0.00 178.15 177.48 2j0k h LEU 241 N 0.89 0.76 -1.26 1.44 3.38 -1.25 -1.00 115.31 118.26 2j0k h LEU 241 Ca 0.26 -0.62 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 2j0k h LEU 241 Cb -0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 2j0k h LEU 241 CO -0.08 1.25 0.27 0.50 0.09 0.00 0.00 178.44 180.48 2j0k h LYS 242 N 0.30 0.78 0.09 1.13 1.63 -0.45 0.24 116.57 120.29 2j0k h LYS 242 Ca -0.03 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 2j0k h LYS 242 Cb 1.22 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 2j0k h LYS 242 CO 0.12 0.60 -0.18 0.35 -3.45 0.00 0.00 179.45 176.90 2j0k h PHE 243 N 0.78 -0.50 -0.40 1.91 3.57 0.38 -2.08 116.94 120.59 2j0k h PHE 243 Ca 0.20 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.79 2j0k h PHE 243 Cb 0.07 0.21 -0.09 0.00 2.79 0.00 0.00 35.95 38.93 2j0k h PHE 243 CO 0.01 -0.21 -0.24 0.74 -2.23 0.00 0.00 178.31 176.37 2j0k h PHE 244 N -0.29 -0.63 -0.96 0.41 0.05 -0.70 -0.94 116.94 113.89 2j0k h PHE 244 Ca -0.01 0.05 0.27 0.00 3.82 0.00 0.00 57.97 62.10 2j0k h PHE 244 Cb 0.27 0.34 -0.14 0.00 2.00 0.00 0.00 35.95 38.42 2j0k h PHE 244 CO -0.26 -0.32 0.47 1.49 -0.18 0.00 0.00 178.31 179.51 2j0k h GLU 245 N -0.17 0.36 0.00 1.51 4.81 -0.48 0.48 114.58 121.10 2j0k h GLU 245 Ca 0.19 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.28 2j0k h GLU 245 Cb 0.47 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2j0k h GLU 245 CO -0.50 0.24 -0.69 0.82 -0.73 0.00 0.00 179.01 178.14 2j0k h ILE 246 N 0.37 0.86 0.14 2.32 2.04 -0.46 -3.36 117.51 119.43 2j0k h ILE 246 Ca 0.64 -2.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.23 2j0k h ILE 246 Cb 1.34 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 39.81 2j0k h ILE 246 CO -0.57 0.49 -0.07 0.25 0.00 0.00 0.00 178.15 178.25 2j0k h LEU 247 N 0.00 -0.16 -0.61 1.44 5.85 -0.34 -3.41 115.31 118.08 2j0k h LEU 247 Ca -0.03 -0.09 0.13 0.00 0.84 0.00 0.00 57.88 58.73 2j0k h LEU 247 Cb 1.45 0.04 -0.12 0.00 0.37 0.00 0.00 40.66 42.40 2j0k h LEU 247 CO 0.07 0.35 -0.11 -0.24 -0.34 0.00 0.00 178.44 178.17 2j0k n SER 248 N -4.90 -0.18 0.34 1.25 2.88 -0.10 0.74 113.62 113.65 2j0k n SER 248 Ca -0.03 1.04 0.22 0.00 -1.33 0.00 0.00 58.87 58.77 2j0k n SER 248 Cb 0.12 -0.33 1.17 0.00 -0.75 0.00 0.00 64.21 64.42 2j0k n SER 248 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2j0k h PRO 249 N 0.00 0.00 0.00 -1.46 0.11 -1.78 -3.08 132.00 125.79 2j0k h PRO 249 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 2j0k h PRO 249 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 2j0k h PRO 249 CO -0.61 0.00 -0.04 1.55 -0.21 0.00 0.00 178.00 178.68 2j0k n VAL 250 N -3.07 0.83 -3.15 3.15 3.14 0.23 -4.97 118.33 114.49 2j0k n VAL 250 Ca -0.03 -0.90 0.05 0.00 -2.96 0.00 0.00 64.34 60.50 2j0k n VAL 250 Cb 0.11 0.49 -0.01 0.00 -1.06 0.00 0.00 33.84 33.37 2j0k n VAL 250 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 2j0k s TYR 251 N -1.01 -1.01 -0.17 1.45 5.04 -1.01 -5.09 117.35 115.56 2j0k s TYR 251 Ca 0.06 0.88 -0.29 0.00 -2.44 0.00 0.00 57.07 55.27 2j0k s TYR 251 Cb 0.05 0.28 -0.02 0.00 0.35 0.00 0.00 41.96 42.62 2j0k s TYR 251 CO 0.01 -0.57 1.37 -0.98 -1.34 0.00 0.00 175.55 174.04 2j0k s ARG 252 N 2.91 4.14 0.00 4.97 1.70 -1.26 -4.14 118.95 127.28 2j0k s ARG 252 Ca 0.12 1.71 0.00 0.00 -0.47 0.00 0.00 55.73 57.09 2j0k s ARG 252 Cb -0.10 -3.84 0.00 0.00 -0.57 0.00 0.00 34.95 30.44 2j0k s ARG 252 CO -0.18 -0.84 0.58 1.97 -1.08 0.00 0.00 175.30 175.75 2j0k n PHE 253 N 7.00 0.00 0.49 5.89 1.16 -1.26 -4.73 117.46 126.01 2j0k n PHE 253 Ca 0.15 -0.14 0.06 0.00 -1.87 0.00 0.00 57.45 55.66 2j0k n PHE 253 Cb 0.45 -0.01 0.20 0.00 -1.61 0.00 0.00 39.48 38.50 2j0k n PHE 253 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 2j0k n ASP 254 N -0.14 2.58 -3.65 5.98 5.68 -1.26 -4.95 116.55 120.79 2j0k n ASP 254 Ca 0.00 -2.10 0.00 0.00 -0.50 0.00 0.00 54.79 52.20 2j0k n ASP 254 Cb 0.12 -0.35 -0.00 0.00 -1.14 0.00 0.00 41.12 39.76 2j0k n ASP 254 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2j0k s LYS 255 N -1.53 0.63 0.06 0.11 -2.85 -1.26 -4.36 119.74 110.53 2j0k s LYS 255 Ca 0.30 -0.37 0.08 0.00 -1.00 0.00 0.00 55.97 54.98 2j0k s LYS 255 Cb 0.17 0.20 -0.03 0.00 -2.06 0.00 0.00 37.83 36.11 2j0k s LYS 255 CO 0.18 -0.29 -0.21 -1.21 0.10 0.00 0.00 175.35 173.92 2j0k s GLU 256 N -2.47 1.35 0.12 1.78 2.02 -0.98 -4.99 118.70 115.54 2j0k s GLU 256 Ca 0.17 -1.02 0.10 0.00 0.02 0.00 0.00 54.97 54.25 2j0k s GLU 256 Cb 0.02 -1.52 -0.04 0.00 0.10 0.00 0.00 34.13 32.69 2j0k s GLU 256 CO -0.01 0.38 -0.25 0.00 0.02 0.00 0.00 175.26 175.39 2j0k s PHE 258 N -1.10 0.01 0.17 0.00 0.40 -0.03 -4.96 117.98 112.48 2j0k s PHE 258 Ca 0.12 0.27 -0.30 0.00 -0.60 0.00 0.00 56.93 56.43 2j0k s PHE 258 Cb -0.10 -0.37 -0.08 0.00 0.51 0.00 0.00 43.02 42.98 2j0k s PHE 258 CO 0.06 -0.17 1.21 0.15 0.70 0.00 0.00 175.22 177.16 2j0k s LYS 259 N 1.82 4.48 0.06 0.44 1.02 -1.26 0.02 119.74 126.32 2j0k s LYS 259 Ca 0.00 1.87 -0.26 0.00 0.02 0.00 0.00 55.97 57.60 2j0k s LYS 259 Cb -0.12 -3.25 0.09 0.00 -0.52 0.00 0.00 37.83 34.02 2j0k s LYS 259 CO -0.03 -0.12 1.18 0.00 -0.92 0.00 0.00 175.35 175.46 2j0k s ALA 261 N -2.15 2.44 0.16 0.00 0.00 -0.11 -0.69 121.76 121.41 2j0k s ALA 261 Ca 0.25 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.23 2j0k s ALA 261 Cb -0.01 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 2j0k s ALA 261 CO 0.01 0.46 0.29 -0.51 0.00 0.00 0.00 175.76 176.01 2j0k s LEU 262 N -0.35 4.34 0.00 0.00 1.43 0.72 -0.69 118.68 124.13 2j0k s LEU 262 Ca 0.03 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 2j0k s LEU 262 Cb -0.12 -2.91 0.00 0.00 0.03 0.00 0.00 46.19 43.19 2j0k s LEU 262 CO 0.02 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.25 2j0k n GLY 263 N -0.61 2.10 0.05 -3.19 0.00 -0.52 -0.52 105.19 102.50 2j0k n GLY 263 Ca -0.07 -2.00 -0.01 0.00 0.00 0.00 0.00 46.02 43.94 2j0k n GLY 263 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2j0k n SER 264 N 0.00 0.82 0.11 1.61 3.41 -1.26 -4.59 113.62 113.72 2j0k n SER 264 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2j0k n SER 264 Cb 0.00 1.32 0.00 0.00 -0.26 0.00 0.00 64.21 65.27 2j0k n SER 264 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2j0k n SER 265 N -2.41 0.22 -4.53 4.04 7.64 -1.26 -4.91 113.62 112.40 2j0k n SER 265 Ca -0.17 0.36 -0.43 0.00 1.01 0.00 0.00 58.87 59.63 2j0k n SER 265 Cb 0.80 0.16 -0.00 0.00 -1.01 0.00 0.00 64.21 64.16 2j0k n SER 265 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 2j0k s TRP 266 N -2.00 3.07 -0.01 1.43 0.52 -1.26 -4.95 118.94 115.74 2j0k s TRP 266 Ca 0.00 -1.80 -0.30 0.00 0.02 0.00 0.00 56.10 54.02 2j0k s TRP 266 Cb 0.00 -4.57 -0.07 0.00 -1.15 0.00 0.00 33.47 27.68 2j0k s TRP 266 CO 0.00 -1.64 1.75 0.42 0.02 0.00 0.00 176.95 177.50 2j0k s ILE 267 N 3.17 3.33 -0.01 2.03 1.01 -1.26 -4.76 121.20 124.71 2j0k s ILE 267 Ca 0.49 0.47 0.07 0.00 0.00 0.00 0.00 60.65 61.67 2j0k s ILE 267 Cb 0.01 -3.30 -0.02 0.00 0.01 0.00 0.00 42.46 39.16 2j0k s ILE 267 CO 0.04 -0.04 -0.22 0.27 0.00 0.00 0.00 174.94 174.99 2j0k s ILE 268 N 3.98 1.77 -0.14 2.92 -5.25 0.32 -4.92 121.20 119.88 2j0k s ILE 268 Ca 0.78 -0.98 -0.23 0.00 -0.99 0.00 0.00 60.65 59.23 2j0k s ILE 268 Cb -0.37 -1.47 -0.03 0.00 2.95 0.00 0.00 42.46 43.54 2j0k s ILE 268 CO 0.34 0.48 0.71 -0.55 -1.79 0.00 0.00 174.94 174.13 2j0k s SER 269 N -0.58 6.88 0.11 4.36 0.15 -1.26 -0.20 113.70 123.17 2j0k s SER 269 Ca 0.09 1.07 -0.04 0.00 0.70 0.00 0.00 55.95 57.77 2j0k s SER 269 Cb -0.09 -2.40 -0.03 0.00 -1.71 0.00 0.00 66.02 61.79 2j0k s SER 269 CO -0.01 -0.25 0.11 0.68 1.20 0.00 0.00 173.24 174.98 2j0k s VAL 270 N 1.53 0.13 -0.20 4.45 -7.23 0.13 -4.96 120.40 114.25 2j0k s VAL 270 Ca 0.35 -1.65 -0.08 0.00 -1.81 0.00 0.00 61.98 58.79 2j0k s VAL 270 Cb -0.17 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 2j0k s VAL 270 CO 0.14 -0.58 0.08 -0.70 -0.31 0.00 0.00 175.10 173.73 2j0k s GLU 271 N -3.97 3.96 -0.02 4.82 2.12 -1.20 -1.26 118.70 123.15 2j0k s GLU 271 Ca 0.16 -0.34 -0.16 0.00 0.36 0.00 0.00 54.97 54.98 2j0k s GLU 271 Cb 0.06 -3.30 -0.05 0.00 0.26 0.00 0.00 34.13 31.10 2j0k s GLU 271 CO -0.03 0.18 0.44 -0.51 -0.54 0.00 0.00 175.26 174.80 2j0k s LEU 272 N 0.65 4.43 -0.13 2.70 1.43 0.10 -2.05 118.68 125.82 2j0k s LEU 272 Ca 0.04 0.96 -0.00 0.00 -1.03 0.00 0.00 54.13 54.10 2j0k s LEU 272 Cb -0.13 -2.65 -0.02 0.00 0.03 0.00 0.00 46.19 43.43 2j0k s LEU 272 CO 0.01 0.24 -0.12 0.00 0.23 0.00 0.00 176.35 176.71 2j0k s ALA 273 N -0.63 2.68 -0.19 4.21 0.00 0.16 -0.85 121.76 127.15 2j0k s ALA 273 Ca 0.25 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2j0k s ALA 273 Cb -0.17 -1.24 0.04 0.00 0.00 0.00 0.00 23.12 21.76 2j0k s ALA 273 CO 0.13 0.28 -0.07 0.42 0.00 0.00 0.00 175.76 176.52 2j0k s ILE 274 N 0.23 1.35 0.23 0.00 1.01 -0.03 -0.84 121.20 123.15 2j0k s ILE 274 Ca -0.08 -0.85 -0.22 0.00 0.00 0.00 0.00 60.65 59.50 2j0k s ILE 274 Cb -0.15 -1.51 0.05 0.00 0.01 0.00 0.00 42.46 40.85 2j0k s ILE 274 CO 0.05 0.10 0.87 -0.83 0.00 0.00 0.00 174.94 175.13 2j0k s GLY 275 N 1.52 -0.07 0.19 6.18 0.00 -0.99 -2.31 107.32 111.83 2j0k s GLY 275 Ca -0.01 -0.17 -0.12 0.00 0.00 0.00 0.00 44.72 44.42 2j0k s GLY 275 CO -0.08 0.20 1.82 -0.56 0.00 0.00 0.00 173.10 174.49 2j0k h PRO 276 N 2.00 0.87 -2.46 2.90 0.13 -1.78 -1.55 132.00 132.12 2j0k h PRO 276 Ca -0.24 -0.08 -0.74 0.00 -0.87 0.00 0.00 66.00 64.06 2j0k h PRO 276 Cb 1.24 -0.18 -0.32 0.00 0.13 0.00 0.00 31.00 31.87 2j0k h PRO 276 CO 0.28 0.63 0.45 -0.85 -0.23 0.00 0.00 178.00 178.28 2j0k n GLU 277 N -4.58 4.38 0.00 0.86 0.00 -1.26 -4.32 120.64 115.71 2j0k n GLU 277 Ca 0.05 -4.67 0.00 0.00 0.00 0.00 0.00 57.16 52.54 2j0k n GLU 277 Cb 0.06 -2.42 0.00 0.00 0.00 0.00 0.00 31.44 29.08 2j0k n GLU 277 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 2j0k n GLU 278 N 0.48 0.00 0.00 3.44 0.28 -1.25 -5.14 120.64 118.45 2j0k n GLU 278 Ca 0.35 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.35 2j0k n GLU 278 Cb 0.33 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.20 2j0k n GLU 278 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2j0k n GLY 279 N 0.00 2.23 3.67 -1.84 0.00 -0.58 -4.42 105.19 104.25 2j0k n GLY 279 Ca 0.00 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 2j0k n GLY 279 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2j0k s ILE 280 N 0.00 4.97 -0.01 -0.61 1.01 -0.58 -2.36 121.20 123.63 2j0k s ILE 280 Ca 0.00 1.38 0.01 0.00 0.00 0.00 0.00 60.65 62.04 2j0k s ILE 280 Cb 0.00 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.45 2j0k s ILE 280 CO 0.00 0.09 -0.01 -0.44 0.00 0.00 0.00 174.94 174.58 2j0k s SER 281 N 1.15 0.25 -0.13 3.58 0.01 -0.02 -0.67 113.70 117.87 2j0k s SER 281 Ca 0.33 -0.03 -0.07 0.00 1.31 0.00 0.00 55.95 57.49 2j0k s SER 281 Cb -0.16 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 65.96 2j0k s SER 281 CO 0.12 -0.01 0.12 -0.72 0.41 0.00 0.00 173.24 173.15 2j0k s TYR 282 N 0.24 3.49 -0.04 2.43 -0.85 -0.57 0.38 117.35 122.43 2j0k s TYR 282 Ca -0.02 0.43 0.03 0.00 -0.52 0.00 0.00 57.07 56.98 2j0k s TYR 282 Cb -0.04 -1.97 0.00 0.00 0.38 0.00 0.00 41.96 40.33 2j0k s TYR 282 CO -0.01 0.59 -0.12 -0.48 -1.52 0.00 0.00 175.55 174.02 2j0k s LEU 283 N -0.68 1.79 0.00 -3.49 0.05 -0.87 -0.43 118.68 115.05 2j0k s LEU 283 Ca 0.13 -0.25 0.00 0.00 0.05 0.00 0.00 54.13 54.06 2j0k s LEU 283 Cb -0.12 -0.71 0.00 0.00 -2.05 0.00 0.00 46.19 43.32 2j0k s LEU 283 CO 0.02 0.08 0.00 0.35 -0.55 0.00 0.00 176.35 176.26 2j0k n THR 284 N 3.34 0.00 -0.49 5.48 -2.24 -1.26 -3.24 114.28 115.87 2j0k n THR 284 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2j0k n THR 284 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 2j0k n THR 284 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2j0k n ASP 285 N 0.00 2.45 -0.05 3.42 5.68 -1.26 -5.08 116.55 121.70 2j0k n ASP 285 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.26 2j0k n ASP 285 Cb 0.00 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 39.97 2j0k n ASP 285 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2j0k h LYS 286 N 0.00 0.00 0.00 0.11 1.57 -1.97 -3.35 116.57 112.93 2j0k h LYS 286 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2j0k h LYS 286 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2j0k h LYS 286 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 2j0k n GLY 287 N 1.69 1.07 7.00 3.86 0.00 -1.26 -5.08 105.19 112.47 2j0k n GLY 287 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2j0k n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j0k n ALA 288 N -2.21 0.00 -2.63 4.61 0.00 -1.26 -4.66 120.51 114.37 2j0k n ALA 288 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2j0k n ALA 288 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2j0k n ALA 288 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2j0k s ASN 289 N -4.00 7.24 0.21 0.00 -0.87 -1.26 -5.03 114.94 111.22 2j0k s ASN 289 Ca 0.00 1.68 -0.30 0.00 -1.57 0.00 0.00 52.86 52.67 2j0k s ASN 289 Cb 0.00 -2.56 -0.08 0.00 -0.02 0.00 0.00 41.25 38.58 2j0k s ASN 289 CO 0.00 -0.41 1.09 -2.16 -2.57 0.00 0.00 177.10 173.05 2j0k s PRO 290 N 1.60 4.62 -0.08 -0.60 0.04 -1.26 -4.76 135.00 134.55 2j0k s PRO 290 Ca 0.52 1.73 -0.15 0.00 0.04 0.00 0.00 61.00 63.14 2j0k s PRO 290 Cb -0.22 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.02 2j0k s PRO 290 CO 0.23 0.13 0.37 0.99 0.04 0.00 0.00 177.00 178.76 2j0k s THR 291 N -0.51 5.18 0.32 1.26 2.01 0.42 -4.98 115.64 119.34 2j0k s THR 291 Ca 0.48 0.74 -0.27 0.00 0.31 0.00 0.00 61.69 62.95 2j0k s THR 291 Cb -0.30 -3.69 -0.09 0.00 0.01 0.00 0.00 72.50 68.42 2j0k s THR 291 CO 0.36 0.47 1.01 -2.28 -0.69 0.00 0.00 174.62 173.49 2j0k s HIS 292 N -0.22 3.62 -0.01 4.92 2.46 -1.26 -1.51 115.29 123.28 2j0k s HIS 292 Ca 0.22 1.76 -0.00 0.00 0.47 0.00 0.00 55.06 57.50 2j0k s HIS 292 Cb -0.15 -3.07 -0.01 0.00 -0.13 0.00 0.00 32.58 29.22 2j0k s HIS 292 CO 0.09 -0.14 -0.01 1.28 -2.47 0.00 0.00 174.74 173.49 2j0k n LEU 293 N 0.74 1.53 -3.55 8.88 4.77 0.16 -4.86 117.00 124.67 2j0k n LEU 293 Ca 0.01 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.92 2j0k n LEU 293 Cb 0.48 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 2j0k n LEU 293 CO 0.48 0.27 0.69 0.00 -1.33 0.00 0.00 177.39 177.50 2j0k s ALA 294 N -2.02 -1.79 0.24 -1.18 0.00 -1.09 -5.01 121.76 110.90 2j0k s ALA 294 Ca -0.01 0.85 0.02 0.00 0.00 0.00 0.00 51.96 52.81 2j0k s ALA 294 Cb 0.00 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 2j0k s ALA 294 CO 0.02 -0.76 0.40 -0.51 0.00 0.00 0.00 175.76 174.91 2j0k s ASP 295 N -2.57 6.34 0.39 0.00 1.11 -1.26 -1.52 116.67 119.15 2j0k s ASP 295 Ca 0.06 0.27 0.11 0.00 0.18 0.00 0.00 52.55 53.17 2j0k s ASP 295 Cb -0.01 -1.95 0.79 0.00 1.07 0.00 0.00 42.92 42.82 2j0k s ASP 295 CO -0.07 -0.09 1.89 -0.26 1.18 0.00 0.00 175.17 177.82 2j0k h PHE 296 N 1.49 0.13 0.00 4.23 -1.00 -1.95 -1.57 116.94 118.27 2j0k h PHE 296 Ca -0.50 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.26 2j0k h PHE 296 Cb 1.21 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.73 2j0k h PHE 296 CO 0.51 0.35 0.00 0.27 -1.61 0.00 0.00 178.31 177.83 2j0k n ASN 297 N -4.22 0.00 0.02 2.17 0.23 -1.26 -1.99 115.26 110.21 2j0k n ASN 297 Ca -0.01 -0.22 0.11 0.00 -0.53 0.00 0.00 54.58 53.93 2j0k n ASN 297 Cb 0.32 -0.16 0.01 0.00 -2.08 0.00 0.00 39.78 37.86 2j0k n ASN 297 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2j0k n GLN 298 N -1.16 0.27 -2.57 -3.83 6.02 -0.59 -4.92 117.38 110.60 2j0k n GLN 298 Ca 0.10 -0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.66 2j0k n GLN 298 Cb 0.10 -1.58 -0.02 0.00 1.02 0.00 0.00 30.24 29.76 2j0k n GLN 298 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2j0k s VAL 299 N -3.18 4.01 0.00 5.09 1.01 -0.84 -1.21 120.40 125.28 2j0k s VAL 299 Ca 0.04 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.93 2j0k s VAL 299 Cb 0.15 -4.69 0.00 0.00 0.00 0.00 0.00 36.38 31.83 2j0k s VAL 299 CO 0.81 -1.30 0.59 0.00 0.00 0.00 0.00 175.10 175.20 2j0k n GLN 300 N 8.41 0.00 -4.19 2.72 6.02 -0.21 -4.97 117.38 125.16 2j0k n GLN 300 Ca 0.09 0.29 -0.11 0.00 -0.01 0.00 0.00 57.00 57.26 2j0k n GLN 300 Cb 0.49 -1.16 -0.10 0.00 1.02 0.00 0.00 30.24 30.49 2j0k n GLN 300 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2j0k s THR 301 N -1.75 0.62 0.07 5.09 -4.23 -1.21 -4.96 115.64 109.27 2j0k s THR 301 Ca 0.00 -1.94 0.10 0.00 -1.18 0.00 0.00 61.69 58.66 2j0k s THR 301 Cb 0.00 -1.87 -0.03 0.00 1.34 0.00 0.00 72.50 71.94 2j0k s THR 301 CO 0.00 -0.70 -0.26 -0.63 -0.54 0.00 0.00 174.62 172.49 2j0k s ILE 302 N -3.69 2.21 -0.12 2.99 1.01 0.79 -2.19 121.20 122.20 2j0k s ILE 302 Ca 0.17 -1.49 -0.19 0.00 0.00 0.00 0.00 60.65 59.13 2j0k s ILE 302 Cb 0.06 -1.90 0.05 0.00 0.01 0.00 0.00 42.46 40.67 2j0k s ILE 302 CO -0.01 0.28 0.49 -1.58 0.00 0.00 0.00 174.94 174.12 2j0k s GLN 303 N -1.50 0.70 0.04 2.79 0.74 -0.95 -0.77 119.66 120.70 2j0k s GLN 303 Ca 0.13 0.42 -0.11 0.00 0.05 0.00 0.00 55.36 55.84 2j0k s GLN 303 Cb -0.10 0.33 0.01 0.00 1.10 0.00 0.00 33.01 34.35 2j0k s GLN 303 CO 0.03 -0.14 0.24 1.52 -0.55 0.00 0.00 175.29 176.39 2j0k s TYR 304 N -0.36 -0.02 0.24 1.67 -0.85 -1.26 -0.94 117.35 115.83 2j0k s TYR 304 Ca -0.05 -0.14 -0.19 0.00 -0.52 0.00 0.00 57.07 56.17 2j0k s TYR 304 Cb -0.03 0.02 0.02 0.00 0.38 0.00 0.00 41.96 42.35 2j0k s TYR 304 CO 0.03 -0.45 0.63 -1.54 -1.52 0.00 0.00 175.55 172.70 2j0k s SER 305 N -1.99 -0.26 0.25 -0.18 1.04 -0.00 -5.00 113.70 107.55 2j0k s SER 305 Ca -0.06 -0.57 -0.30 0.00 0.48 0.00 0.00 55.95 55.50 2j0k s SER 305 Cb -0.02 0.66 -0.09 0.00 0.10 0.00 0.00 66.02 66.68 2j0k s SER 305 CO -0.03 -1.21 1.15 0.21 0.98 0.00 0.00 173.24 174.34 2j0k s ASN 306 N -2.91 7.17 -0.81 7.02 3.04 -1.26 -1.14 114.94 126.04 2j0k s ASN 306 Ca 0.11 2.28 -0.27 0.00 0.04 0.00 0.00 52.86 55.03 2j0k s ASN 306 Cb -0.04 -2.62 -0.18 0.00 -1.54 0.00 0.00 41.25 36.88 2j0k s ASN 306 CO 0.03 -0.25 2.52 -0.24 -3.04 0.00 0.00 177.10 176.12 2j0k n SER 307 N 1.66 0.90 0.29 -4.21 2.88 0.47 -4.73 113.62 110.88 2j0k n SER 307 Ca 0.01 -0.26 0.17 0.00 -1.33 0.00 0.00 58.87 57.46 2j0k n SER 307 Cb 0.45 -1.16 0.91 0.00 -0.75 0.00 0.00 64.21 63.66 2j0k n SER 307 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2j0k h GLU 308 N 14.53 0.00 0.00 -1.46 4.39 -1.90 -3.42 114.58 126.73 2j0k h GLU 308 Ca -0.10 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.30 2j0k h GLU 308 Cb 1.25 0.00 0.15 0.00 -0.10 0.00 0.00 28.75 30.06 2j0k h GLU 308 CO 1.31 0.04 0.07 -0.40 -1.16 0.00 0.00 179.01 178.88 2j0k n ASP 309 N -3.45 -1.98 -0.14 1.42 5.75 -1.26 -4.96 116.55 111.93 2j0k n ASP 309 Ca -0.02 -0.99 -0.04 0.00 -0.01 0.00 0.00 54.79 53.73 2j0k n ASP 309 Cb 0.16 -0.77 0.02 0.00 -1.03 0.00 0.00 41.12 39.51 2j0k n ASP 309 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 2j0k h LYS 310 N 0.00 -0.03 0.00 0.11 3.64 -2.03 -3.42 116.57 114.84 2j0k h LYS 310 Ca -0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 2j0k h LYS 310 Cb 0.97 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 2j0k h LYS 310 CO 0.20 -0.02 0.00 -3.47 -2.27 0.00 0.00 179.45 173.89 2j0k n ASP 311 N -5.36 0.00 0.00 4.20 4.64 -1.26 -5.02 116.55 113.75 2j0k n ASP 311 Ca 0.03 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.44 2j0k n ASP 311 Cb 0.26 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.34 2j0k n ASP 311 CO 0.00 0.00 0.00 -2.11 -0.82 0.00 0.00 177.20 174.27 2j0k n ARG 312 N 0.00 0.00 -0.88 -0.67 1.85 -1.26 -4.99 116.66 110.71 2j0k n ARG 312 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.53 2j0k n ARG 312 Cb 0.00 0.00 0.15 0.00 -1.05 0.00 0.00 32.46 31.56 2j0k n ARG 312 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2j0k s LYS 313 N 0.00 1.30 0.02 2.89 1.02 -1.26 -3.08 119.74 120.63 2j0k s LYS 313 Ca 0.00 1.62 -0.21 0.00 0.02 0.00 0.00 55.97 57.40 2j0k s LYS 313 Cb 0.00 -1.75 -0.06 0.00 -0.52 0.00 0.00 37.83 35.50 2j0k s LYS 313 CO 0.00 -2.44 0.61 0.20 -0.92 0.00 0.00 175.35 172.80 2j0k s GLY 314 N -2.49 2.65 -0.18 -3.33 0.00 0.15 -0.39 107.32 103.72 2j0k s GLY 314 Ca 0.69 0.06 -0.04 0.00 0.00 0.00 0.00 44.72 45.43 2j0k s GLY 314 CO 0.55 0.72 -0.04 -0.29 0.00 0.00 0.00 173.10 174.04 2j0k s MET 315 N -0.41 3.53 -0.08 2.90 1.75 -0.30 -0.01 119.30 126.69 2j0k s MET 315 Ca 0.31 -0.57 0.01 0.00 -1.25 0.00 0.00 55.69 54.19 2j0k s MET 315 Cb -0.19 -2.95 0.02 0.00 2.84 0.00 0.00 34.83 34.55 2j0k s MET 315 CO 0.18 0.04 -0.09 -1.17 -0.65 0.00 0.00 175.02 173.34 2j0k s LEU 316 N 0.87 1.41 -0.09 4.11 2.96 0.41 -0.82 118.68 127.53 2j0k s LEU 316 Ca -0.01 -0.26 0.03 0.00 -0.22 0.00 0.00 54.13 53.68 2j0k s LEU 316 Cb -0.15 -0.74 -0.01 0.00 0.50 0.00 0.00 46.19 45.79 2j0k s LEU 316 CO 0.01 -0.04 -0.21 -1.10 -1.32 0.00 0.00 176.35 173.70 2j0k s GLN 317 N 1.07 2.96 -0.21 1.98 -0.21 -0.12 -0.02 119.66 125.11 2j0k s GLN 317 Ca -0.07 -0.82 0.01 0.00 0.02 0.00 0.00 55.36 54.50 2j0k s GLN 317 Cb -0.14 -2.35 0.05 0.00 1.00 0.00 0.00 33.01 31.56 2j0k s GLN 317 CO -0.01 0.28 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.82 2j0k s LEU 318 N 0.12 2.55 0.10 2.90 1.43 -0.29 -2.24 118.68 123.27 2j0k s LEU 318 Ca -0.10 -1.01 -0.30 0.00 -1.03 0.00 0.00 54.13 51.69 2j0k s LEU 318 Cb -0.16 -1.32 -0.06 0.00 0.03 0.00 0.00 46.19 44.68 2j0k s LEU 318 CO 0.06 -0.15 1.07 -0.75 0.23 0.00 0.00 176.35 176.81 2j0k s LYS 319 N 1.32 4.58 0.33 1.70 2.20 -0.93 0.04 119.74 128.97 2j0k s LYS 319 Ca -0.03 1.61 0.08 0.00 -0.36 0.00 0.00 55.97 57.27 2j0k s LYS 319 Cb -0.17 -3.35 -0.06 0.00 -1.51 0.00 0.00 37.83 32.74 2j0k s LYS 319 CO -0.08 0.01 -0.06 0.42 -0.36 0.00 0.00 175.35 175.29 2j0k s ILE 320 N 0.34 1.92 -0.99 5.43 1.09 -1.26 -1.04 121.20 126.69 2j0k s ILE 320 Ca 0.51 -2.13 -0.25 0.00 -1.10 0.00 0.00 60.65 57.68 2j0k s ILE 320 Cb -0.26 -2.64 -0.25 0.00 -1.06 0.00 0.00 42.46 38.25 2j0k s ILE 320 CO 0.31 -0.19 2.55 0.00 -0.10 0.00 0.00 174.94 177.51 2j0k n ALA 321 N -0.74 0.52 0.00 9.38 0.00 -0.35 -3.28 120.51 126.05 2j0k n ALA 321 Ca -0.05 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.95 2j0k n ALA 321 Cb 0.64 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.76 2j0k n ALA 321 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j0k n GLY 322 N 6.23 2.01 3.68 0.00 0.00 -1.26 -4.93 105.19 110.92 2j0k n GLY 322 Ca 0.66 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 46.22 2j0k n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j0k n ALA 323 N 0.04 1.16 0.20 4.61 0.00 -1.21 -4.88 120.51 120.43 2j0k n ALA 323 Ca 0.00 0.27 0.08 0.00 0.00 0.00 0.00 53.44 53.79 2j0k n ALA 323 Cb 0.00 -2.55 0.29 0.00 0.00 0.00 0.00 19.45 17.19 2j0k n ALA 323 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2j0k h PRO 324 N 9.42 0.00 -5.30 0.00 0.11 -1.91 -3.40 132.00 130.91 2j0k h PRO 324 Ca -0.49 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.01 2j0k h PRO 324 Cb 1.26 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.24 2j0k h PRO 324 CO 0.94 0.27 -0.52 -1.21 -0.21 0.00 0.00 178.00 177.27 2j0k s GLU 325 N -3.37 4.05 0.41 1.05 8.01 -1.26 -5.05 118.70 122.54 2j0k s GLU 325 Ca 0.03 -0.27 -0.27 0.00 0.01 0.00 0.00 54.97 54.47 2j0k s GLU 325 Cb 0.09 -3.32 -0.09 0.00 -4.31 0.00 0.00 34.13 26.49 2j0k s GLU 325 CO 0.67 0.32 1.44 -1.25 0.01 0.00 0.00 175.26 176.45 2j0k s PRO 326 N 0.27 3.90 -0.22 0.39 0.04 -1.26 -4.76 135.00 133.35 2j0k s PRO 326 Ca 0.06 2.46 -0.29 0.00 0.04 0.00 0.00 61.00 63.28 2j0k s PRO 326 Cb -0.12 -2.81 -0.01 0.00 0.04 0.00 0.00 34.50 31.61 2j0k s PRO 326 CO -0.01 -0.66 1.31 -1.17 0.04 0.00 0.00 177.00 176.51 2j0k s LEU 327 N -2.41 4.05 -0.22 -3.56 2.96 0.11 -4.84 118.68 114.77 2j0k s LEU 327 Ca 0.57 1.51 -0.06 0.00 -0.22 0.00 0.00 54.13 55.93 2j0k s LEU 327 Cb -0.44 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.68 2j0k s LEU 327 CO 0.59 -0.92 0.03 -0.89 -1.32 0.00 0.00 176.35 173.83 2j0k s THR 328 N 3.96 4.10 -0.06 3.68 2.01 -1.26 -1.13 115.64 126.94 2j0k s THR 328 Ca 0.57 -0.25 0.04 0.00 0.31 0.00 0.00 61.69 62.36 2j0k s THR 328 Cb -0.20 -2.88 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 2j0k s THR 328 CO 0.19 0.40 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.64 2j0k s VAL 329 N 1.18 2.62 -0.20 3.82 1.01 0.97 -1.43 120.40 128.38 2j0k s VAL 329 Ca 0.04 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 2j0k s VAL 329 Cb -0.14 -2.01 -0.00 0.00 0.00 0.00 0.00 36.38 34.23 2j0k s VAL 329 CO 0.02 0.57 -0.09 -0.89 0.00 0.00 0.00 175.10 174.71 2j0k s THR 330 N -0.35 3.07 0.05 3.92 2.01 0.14 -0.44 115.64 124.04 2j0k s THR 330 Ca 0.03 -0.61 0.04 0.00 0.31 0.00 0.00 61.69 61.47 2j0k s THR 330 Cb -0.12 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 2j0k s THR 330 CO 0.02 0.46 -0.05 0.00 -0.69 0.00 0.00 174.62 174.37 2j0k s ALA 331 N 1.27 3.12 0.53 7.40 0.00 0.98 -0.94 121.76 134.12 2j0k s ALA 331 Ca 0.03 -1.10 0.32 0.00 0.00 0.00 0.00 51.96 51.22 2j0k s ALA 331 Cb -0.14 -1.11 1.47 0.00 0.00 0.00 0.00 23.12 23.33 2j0k s ALA 331 CO -0.04 0.65 1.85 -1.35 0.00 0.00 0.00 175.76 176.87 2j0k h PRO 332 N 3.95 0.04 -3.99 0.00 0.11 -1.86 0.42 132.00 130.67 2j0k h PRO 332 Ca -0.48 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 2j0k h PRO 332 Cb 1.17 -0.01 -0.15 0.00 0.11 0.00 0.00 31.00 32.12 2j0k h PRO 332 CO 0.56 0.03 -0.52 -1.54 -0.21 0.00 0.00 178.00 176.31 2j0k s SER 333 N -5.43 0.28 0.53 -2.05 1.04 -1.26 -4.15 113.70 102.66 2j0k s SER 333 Ca -0.05 -0.78 0.26 0.00 0.48 0.00 0.00 55.95 55.85 2j0k s SER 333 Cb 0.22 0.27 1.47 0.00 0.10 0.00 0.00 66.02 68.08 2j0k s SER 333 CO 0.79 -0.65 2.11 0.25 0.98 0.00 0.00 173.24 176.72 2j0k h LEU 334 N 3.04 0.00 0.39 2.42 5.85 -1.73 -2.34 115.31 122.93 2j0k h LEU 334 Ca -0.34 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 2j0k h LEU 334 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2j0k h LEU 334 CO 0.60 0.10 -0.19 0.74 -0.34 0.00 0.00 178.44 179.34 2j0k h THR 335 N 0.00 0.43 -0.62 1.05 2.02 -1.95 -1.59 112.91 112.25 2j0k h THR 335 Ca -0.00 -0.63 0.13 0.00 0.77 0.00 0.00 66.41 66.67 2j0k h THR 335 Cb 0.24 0.66 -0.12 0.00 -1.74 0.00 0.00 68.15 67.18 2j0k h THR 335 CO 0.01 0.09 -0.12 0.40 0.37 0.00 0.00 175.52 176.26 2j0k h ILE 336 N -0.96 0.40 -0.58 3.11 2.04 -1.87 0.12 117.51 119.77 2j0k h ILE 336 Ca -0.05 -0.01 0.12 0.00 1.00 0.00 0.00 64.86 65.92 2j0k h ILE 336 Cb 0.54 0.38 -0.11 0.00 -0.74 0.00 0.00 36.82 36.89 2j0k h ILE 336 CO 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 178.15 178.13 2j0k h ALA 337 N 1.61 0.43 -0.58 1.87 0.00 -1.36 0.29 119.26 121.52 2j0k h ALA 337 Ca 0.30 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2j0k h ALA 337 Cb 0.47 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2j0k h ALA 337 CO -0.62 -0.43 0.38 0.93 0.00 0.00 0.00 179.25 179.51 2j0k h GLU 338 N 0.02 0.77 -0.52 0.00 5.08 0.16 -0.69 114.58 119.41 2j0k h GLU 338 Ca 0.29 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 2j0k h GLU 338 Cb 0.44 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2j0k h GLU 338 CO -0.58 0.52 0.18 -0.91 -1.00 0.00 0.00 179.01 177.22 2j0k h ASN 339 N 0.78 0.70 0.02 1.42 4.21 0.54 -1.04 115.58 122.21 2j0k h ASN 339 Ca 0.21 -0.10 -0.19 0.00 1.21 0.00 0.00 56.30 57.43 2j0k h ASN 339 Cb -0.08 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 36.94 2j0k h ASN 339 CO -0.04 0.65 -0.68 0.24 -1.29 0.00 0.00 177.43 176.31 2j0k h MET 340 N 0.75 0.61 -0.44 0.81 2.86 -0.12 -2.25 114.93 117.15 2j0k h MET 340 Ca 0.18 -0.46 -0.01 0.00 -2.06 0.00 0.00 59.70 57.35 2j0k h MET 340 Cb 0.20 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 2j0k h MET 340 CO -0.01 1.08 0.24 0.00 1.06 0.00 0.00 176.91 179.28 2j0k h ALA 341 N 0.80 0.57 -0.71 6.32 0.00 -0.84 -1.57 119.26 123.83 2j0k h ALA 341 Ca -0.02 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.87 2j0k h ALA 341 Cb 1.27 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 2j0k h ALA 341 CO 0.13 0.09 0.39 0.22 0.00 0.00 0.00 179.25 180.09 2j0k h ASP 342 N 0.58 0.57 0.28 0.00 3.58 -1.12 0.18 116.42 120.50 2j0k h ASP 342 Ca 0.15 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 2j0k h ASP 342 Cb 0.06 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 2j0k h ASP 342 CO -0.02 0.36 -0.26 0.25 -2.88 0.00 0.00 179.24 176.69 2j0k h LEU 343 N 0.71 -0.68 -0.42 2.28 5.85 -1.09 -1.14 115.31 120.81 2j0k h LEU 343 Ca 0.33 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 59.03 2j0k h LEU 343 Cb 0.24 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2j0k h LEU 343 CO -0.21 -0.38 -0.03 0.40 -0.34 0.00 0.00 178.44 177.89 2j0k h ILE 344 N -0.56 1.27 0.31 4.05 2.04 -0.70 -1.71 117.51 122.21 2j0k h ILE 344 Ca -0.01 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.77 2j0k h ILE 344 Cb 0.51 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 2j0k h ILE 344 CO -0.04 0.37 -0.47 -0.78 0.00 0.00 0.00 178.15 177.23 2j0k h ASP 345 N 0.59 -1.33 -0.84 1.72 3.58 -0.62 -1.06 116.42 118.45 2j0k h ASP 345 Ca 0.12 0.13 0.16 0.00 0.42 0.00 0.00 57.03 57.85 2j0k h ASP 345 Cb 0.53 0.47 -0.16 0.00 1.72 0.00 0.00 39.33 41.89 2j0k h ASP 345 CO 0.03 -0.58 -0.26 1.23 -2.88 0.00 0.00 179.24 176.77 2j0k h GLY 346 N -0.84 0.41 0.99 -0.78 0.00 -0.96 0.23 103.07 102.12 2j0k h GLY 346 Ca -0.02 0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2j0k h GLY 346 CO -0.15 -0.29 0.09 -0.97 0.00 0.00 0.00 176.54 175.22 2j0k h TYR 347 N -0.03 0.17 -0.06 5.60 -1.99 -0.90 -1.62 116.97 118.15 2j0k h TYR 347 Ca 0.37 0.00 0.01 0.00 2.00 0.00 0.00 58.73 61.11 2j0k h TYR 347 Cb 0.61 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.27 2j0k h TYR 347 CO -0.70 0.12 0.01 0.00 -0.00 0.00 0.00 178.16 177.59 2j0k h ARG 349 N 0.03 0.00 0.00 0.00 1.12 -0.52 -1.16 114.38 113.86 2j0k h ARG 349 Ca 0.03 0.00 -0.30 0.00 -1.11 0.00 0.00 59.98 58.60 2j0k h ARG 349 Cb 0.03 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 29.94 2j0k h ARG 349 CO -0.04 0.00 -1.68 -0.11 -3.11 0.00 0.00 179.97 175.03 2j0k n LEU 350 N -2.62 1.89 -0.10 3.80 7.94 -0.49 -2.83 117.00 124.59 2j0k n LEU 350 Ca -0.01 0.40 -0.07 0.00 -1.11 0.00 0.00 56.01 55.22 2j0k n LEU 350 Cb 0.09 -0.91 0.01 0.00 0.53 0.00 0.00 43.42 43.14 2j0k n LEU 350 CO 0.16 0.34 0.95 0.58 -1.11 0.00 0.00 177.39 178.30 2j0k h VAL 351 N -1.00 0.94 -3.73 1.96 2.07 -0.16 -3.37 116.25 112.96 2j0k h VAL 351 Ca -0.45 -0.10 -0.49 0.00 0.82 0.00 0.00 66.70 66.47 2j0k h VAL 351 Cb 1.37 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 2j0k h VAL 351 CO -0.27 0.05 0.22 0.20 0.02 0.00 0.00 177.57 177.79 2j0k s ASN 352 N -5.38 7.17 -1.34 0.57 0.01 -0.48 -4.96 114.94 110.53 2j0k s ASN 352 Ca -0.13 1.61 -0.16 0.00 -0.71 0.00 0.00 52.86 53.47 2j0k s ASN 352 Cb 0.11 -2.49 0.01 0.00 0.41 0.00 0.00 41.25 39.29 2j0k s ASN 352 CO 0.71 -0.03 2.14 0.61 -1.51 0.00 0.00 177.10 179.02 2j0k n GLY 353 N 0.57 3.93 3.57 0.66 0.00 -1.26 -4.58 105.19 108.09 2j0k n GLY 353 Ca 0.00 -1.52 -0.26 0.00 0.00 0.00 0.00 46.02 44.25 2j0k n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j0k s ALA 354 N 3.68 2.95 -0.00 4.61 0.00 -1.13 -5.05 121.76 126.82 2j0k s ALA 354 Ca 0.50 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.89 2j0k s ALA 354 Cb 0.13 -0.68 -0.00 0.00 0.00 0.00 0.00 23.12 22.57 2j0k s ALA 354 CO -0.04 0.40 -0.00 0.25 0.00 0.00 0.00 175.76 176.37 2j0k n THR 355 N -0.23 0.02 -2.13 0.00 -2.24 -1.26 -4.75 114.28 103.70 2j0k n THR 355 Ca -0.09 -0.01 -0.27 0.00 -2.27 0.00 0.00 64.05 61.41 2j0k n THR 355 Cb 0.57 -0.56 0.07 0.00 -2.10 0.00 0.00 70.33 68.31 2j0k n THR 355 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2j0k s GLN 356 N -2.01 2.15 0.76 -0.78 1.03 -1.26 -5.07 119.66 114.48 2j0k s GLN 356 Ca -0.00 -0.16 -0.11 0.00 0.04 0.00 0.00 55.36 55.12 2j0k s GLN 356 Cb 0.00 -2.12 0.06 0.00 0.03 0.00 0.00 33.01 30.99 2j0k s GLN 356 CO 0.01 -1.32 1.12 0.45 -2.54 0.00 0.00 175.29 173.01 2j0k s SER 357 N -4.53 4.76 -0.03 12.60 0.15 -1.26 -4.88 113.70 120.51 2j0k s SER 357 Ca 0.61 0.78 0.07 0.00 0.70 0.00 0.00 55.95 58.10 2j0k s SER 357 Cb -0.11 -1.37 0.18 0.00 -1.71 0.00 0.00 66.02 63.01 2j0k s SER 357 CO 0.46 -1.72 1.14 0.49 1.20 0.00 0.00 173.24 174.80 2j0k n PHE 358 N -3.16 0.23 -3.56 3.44 3.01 -1.26 -4.97 117.46 111.19 2j0k n PHE 358 Ca 0.08 -0.59 -0.40 0.00 1.01 0.00 0.00 57.45 57.54 2j0k n PHE 358 Cb 0.60 -0.08 -0.11 0.00 -0.01 0.00 0.00 39.48 39.89 2j0k n PHE 358 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2j0k s ILE 359 N -1.37 4.97 0.21 4.37 1.01 -1.26 -0.15 121.20 128.99 2j0k s ILE 359 Ca 0.15 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 60.00 2j0k s ILE 359 Cb 0.10 -3.64 -0.10 0.00 0.01 0.00 0.00 42.46 38.83 2j0k s ILE 359 CO 0.06 -0.10 1.44 0.27 0.00 0.00 0.00 174.94 176.61 2j0k s ILE 360 N 1.65 2.78 -0.00 2.92 -5.25 0.05 -4.94 121.20 118.41 2j0k s ILE 360 Ca 0.05 0.63 -0.23 0.00 -0.99 0.00 0.00 60.65 60.10 2j0k s ILE 360 Cb -0.18 -3.40 -0.05 0.00 2.95 0.00 0.00 42.46 41.78 2j0k s ILE 360 CO 0.09 0.09 0.69 0.00 -1.79 0.00 0.00 174.94 174.01 2j0k s ARG 361 N 0.07 4.42 0.12 0.37 1.70 -1.26 -4.81 118.95 119.56 2j0k s ARG 361 Ca 0.61 0.90 0.04 0.00 -0.47 0.00 0.00 55.73 56.81 2j0k s ARG 361 Cb -0.41 -3.38 0.35 0.00 -0.57 0.00 0.00 34.95 30.94 2j0k s ARG 361 CO 0.39 0.25 0.54 -2.30 -1.08 0.00 0.00 175.30 173.11 2j0k n PRO 362 N 3.05 -0.02 -4.13 3.89 -0.01 -1.26 -5.22 135.00 131.29 2j0k n PRO 362 Ca -0.04 0.50 -0.31 0.00 -0.01 0.00 0.00 63.50 63.65 2j0k n PRO 362 Cb 0.51 -0.84 -0.08 0.00 -0.01 0.00 0.00 33.50 33.08 2j0k n PRO 362 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 175.50 175.41 2j0k s THR 394 N -4.87 4.26 0.00 3.45 -1.32 -1.26 -5.30 115.64 110.60 2j0k s THR 394 Ca -0.04 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 59.64 2j0k s THR 394 Cb 0.11 -3.00 0.00 0.00 -1.51 0.00 0.00 72.50 68.09 2j0k s THR 394 CO 0.27 0.19 0.00 -0.90 -2.21 0.00 0.00 174.62 171.97 2j0k n ASP 395 N 0.74 0.00 -0.53 8.08 5.75 -1.26 -4.89 116.55 124.44 2j0k n ASP 395 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.67 2j0k n ASP 395 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 2j0k n ASP 395 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2j0k n ASP 396 N 0.00 0.54 -4.44 -1.12 5.68 -1.26 -4.01 116.55 111.95 2j0k n ASP 396 Ca 0.00 -0.98 -0.50 0.00 -0.50 0.00 0.00 54.79 52.81 2j0k n ASP 396 Cb 0.00 -0.25 -0.04 0.00 -1.14 0.00 0.00 41.12 39.70 2j0k n ASP 396 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2j0k n TYR 397 N 0.28 -0.12 -3.34 2.11 4.19 -1.26 -4.60 117.16 114.41 2j0k n TYR 397 Ca 0.00 0.96 -0.24 0.00 3.31 0.00 0.00 57.90 61.93 2j0k n TYR 397 Cb 0.13 -2.01 -0.09 0.00 0.49 0.00 0.00 39.34 37.86 2j0k n TYR 397 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2j0k s ALA 398 N -0.80 0.65 0.23 2.98 0.00 -1.26 -1.29 121.76 122.28 2j0k s ALA 398 Ca 0.69 -1.88 -0.19 0.00 0.00 0.00 0.00 51.96 50.58 2j0k s ALA 398 Cb -0.97 -1.78 -0.08 0.00 0.00 0.00 0.00 23.12 20.29 2j0k s ALA 398 CO 0.56 -2.06 0.73 -2.00 0.00 0.00 0.00 175.76 172.99 2j0k s GLU 399 N 0.61 4.23 -0.40 0.00 2.12 -0.80 -4.90 118.70 119.56 2j0k s GLU 399 Ca 0.26 0.85 -0.16 0.00 0.36 0.00 0.00 54.97 56.29 2j0k s GLU 399 Cb -0.06 -2.83 0.01 0.00 0.26 0.00 0.00 34.13 31.51 2j0k s GLU 399 CO -0.10 0.37 0.38 0.96 -0.54 0.00 0.00 175.26 176.32 2j0k s ILE 400 N -1.58 5.15 0.48 -3.70 -5.25 -1.26 -1.25 121.20 113.80 2j0k s ILE 400 Ca 0.44 -0.32 0.03 0.00 -0.99 0.00 0.00 60.65 59.82 2j0k s ILE 400 Cb -0.16 -3.95 -0.03 0.00 2.95 0.00 0.00 42.46 41.27 2j0k s ILE 400 CO 0.21 -0.30 0.04 0.27 -1.79 0.00 0.00 174.94 173.37 2j0k s ILE 401 N 1.99 1.51 -0.08 8.37 -4.36 -0.51 -5.01 121.20 123.11 2j0k s ILE 401 Ca 0.10 -1.95 -0.03 0.00 -0.26 0.00 0.00 60.65 58.52 2j0k s ILE 401 Cb -0.17 -2.45 0.04 0.00 1.25 0.00 0.00 42.46 41.13 2j0k s ILE 401 CO 0.12 0.00 0.11 1.51 0.24 0.00 0.00 174.94 176.92 2j0k s ASP 402 N -3.86 1.14 0.00 4.36 1.47 -1.26 -3.69 116.67 114.83 2j0k s ASP 402 Ca 0.18 0.08 0.00 0.00 1.18 0.00 0.00 52.55 54.00 2j0k s ASP 402 Cb 0.04 0.02 0.00 0.00 -0.34 0.00 0.00 42.92 42.64 2j0k s ASP 402 CO 0.10 -0.26 0.00 -1.84 0.68 0.00 0.00 175.17 173.84 2j0k n GLU 403 N 5.31 0.00 -3.65 2.11 0.28 -1.26 -4.92 120.64 118.51 2j0k n GLU 403 Ca -0.04 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.81 2j0k n GLU 403 Cb 0.50 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.30 2j0k n GLU 403 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2j0k s THR 412 N 0.00 0.04 -0.11 3.84 -1.32 -1.26 -5.16 115.64 111.67 2j0k s THR 412 Ca 0.00 -0.29 -0.07 0.00 -1.21 0.00 0.00 61.69 60.12 2j0k s THR 412 Cb 0.00 -0.83 0.04 0.00 -1.51 0.00 0.00 72.50 70.20 2j0k s THR 412 CO 0.00 -0.16 0.26 -0.13 -2.21 0.00 0.00 174.62 172.38 2j0k s ARG 413 N -1.57 0.25 0.00 7.08 3.00 -1.26 -5.06 118.95 121.39 2j0k s ARG 413 Ca -0.11 0.48 0.00 0.00 0.00 0.00 0.00 55.73 56.11 2j0k s ARG 413 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 34.95 34.91 2j0k s ARG 413 CO 0.05 -0.12 0.00 -0.25 0.00 0.00 0.00 175.30 174.98 2j0k n ASP 414 N 3.75 0.00 -0.72 0.23 8.00 -1.26 -4.70 116.55 121.86 2j0k n ASP 414 Ca -0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.30 2j0k n ASP 414 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 2j0k n ASP 414 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2j0k n TYR 415 N 0.00 0.00 -3.25 1.24 0.18 -1.26 -4.84 117.16 109.23 2j0k n TYR 415 Ca 0.00 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.43 2j0k n TYR 415 Cb 0.00 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 38.90 2j0k n TYR 415 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 2j0k s GLU 416 N -0.50 4.06 -0.03 -3.48 0.41 -1.26 -1.52 118.70 116.37 2j0k s GLU 416 Ca 0.00 0.62 0.02 0.00 -0.41 0.00 0.00 54.97 55.20 2j0k s GLU 416 Cb 0.00 -2.83 0.01 0.00 -1.78 0.00 0.00 34.13 29.54 2j0k s GLU 416 CO 0.00 0.40 -0.07 0.42 -0.49 0.00 0.00 175.26 175.52 2j0k s ILE 417 N -1.58 0.64 0.19 -1.63 1.01 -0.64 -4.85 121.20 114.34 2j0k s ILE 417 Ca 0.42 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.53 2j0k s ILE 417 Cb -0.15 -0.60 -0.08 0.00 0.01 0.00 0.00 42.46 41.64 2j0k s ILE 417 CO 0.20 0.22 0.98 -1.10 0.00 0.00 0.00 174.94 175.24 2j0k s GLN 418 N 0.47 4.76 0.36 2.79 1.11 -1.26 -4.49 119.66 123.40 2j0k s GLN 418 Ca -0.07 1.53 0.06 0.00 0.01 0.00 0.00 55.36 56.89 2j0k s GLN 418 Cb -0.11 -3.31 0.68 0.00 -1.01 0.00 0.00 33.01 29.27 2j0k s GLN 418 CO 0.00 0.35 1.90 -0.09 0.01 0.00 0.00 175.29 177.46 2j0k h ARG 419 N 4.71 0.44 0.00 2.91 2.43 -1.97 -0.81 114.38 122.09 2j0k h ARG 419 Ca -0.44 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 2j0k h ARG 419 Cb 1.21 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2j0k h ARG 419 CO 0.70 0.49 0.00 0.39 -1.51 0.00 0.00 179.97 180.03 2j0k n GLU 420 N -4.30 0.00 -0.60 0.20 4.71 -1.26 -0.92 120.64 118.47 2j0k n GLU 420 Ca 0.01 0.43 0.10 0.00 -0.01 0.00 0.00 57.16 57.69 2j0k n GLU 420 Cb 0.24 -1.50 0.36 0.00 -1.01 0.00 0.00 31.44 29.52 2j0k n GLU 420 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2j0k n ARG 421 N -1.50 3.67 -4.28 3.49 1.74 -0.31 -4.88 116.66 114.58 2j0k n ARG 421 Ca 0.01 -2.88 -0.29 0.00 -0.77 0.00 0.00 57.85 53.91 2j0k n ARG 421 Cb 0.05 -1.87 -0.17 0.00 -1.02 0.00 0.00 32.46 29.45 2j0k n ARG 421 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2j0k s ILE 422 N -1.77 1.54 -0.38 0.55 -1.09 -0.10 -2.00 121.20 117.95 2j0k s ILE 422 Ca 0.51 -0.65 -0.18 0.00 -2.23 0.00 0.00 60.65 58.11 2j0k s ILE 422 Cb 0.33 -1.42 0.01 0.00 -1.58 0.00 0.00 42.46 39.79 2j0k s ILE 422 CO 0.26 0.45 0.48 -1.61 -1.23 0.00 0.00 174.94 173.28 2j0k s GLU 423 N 1.20 3.40 -0.78 2.79 2.02 -0.13 -4.97 118.70 122.22 2j0k s GLU 423 Ca -0.02 -0.42 -0.23 0.00 0.02 0.00 0.00 54.97 54.32 2j0k s GLU 423 Cb -0.14 -3.87 0.07 0.00 0.10 0.00 0.00 34.13 30.29 2j0k s GLU 423 CO -0.05 -0.73 1.13 -1.17 0.02 0.00 0.00 175.26 174.46 2j0k s LEU 424 N 2.30 4.14 0.00 1.80 2.96 -1.26 -1.49 118.68 127.12 2j0k s LEU 424 Ca 0.16 -1.16 0.00 0.00 -0.22 0.00 0.00 54.13 52.90 2j0k s LEU 424 Cb -0.16 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 44.06 2j0k s LEU 424 CO 0.14 -1.46 0.00 0.61 -1.32 0.00 0.00 176.35 174.32 2j0k n GLY 425 N 5.61 -1.58 3.65 7.98 0.00 0.52 -4.97 105.19 116.39 2j0k n GLY 425 Ca 0.09 -1.56 -0.45 0.00 0.00 0.00 0.00 46.02 44.10 2j0k n GLY 425 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2j0k n ARG 426 N -0.83 1.84 -1.74 1.61 0.63 -1.26 -4.20 116.66 112.70 2j0k n ARG 426 Ca 0.00 0.65 -0.42 0.00 -0.92 0.00 0.00 57.85 57.16 2j0k n ARG 426 Cb 0.00 -2.25 -0.03 0.00 0.45 0.00 0.00 32.46 30.63 2j0k n ARG 426 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2j0k n ILE 428 N 4.52 0.00 -3.57 0.00 -5.35 0.42 -4.89 119.36 110.50 2j0k n ILE 428 Ca 0.17 -0.25 -0.17 0.00 -0.27 0.00 0.00 62.75 62.23 2j0k n ILE 428 Cb 0.38 0.29 -0.06 0.00 -1.74 0.00 0.00 39.64 38.50 2j0k n ILE 428 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2j0k s GLY 429 N -3.19 -0.49 0.31 3.28 0.00 -0.91 -5.00 107.32 101.31 2j0k s GLY 429 Ca -0.04 1.07 -0.08 0.00 0.00 0.00 0.00 44.72 45.68 2j0k s GLY 429 CO 0.45 0.74 0.62 -0.54 0.00 0.00 0.00 173.10 174.37 2j0k s GLU 430 N -1.34 3.71 -0.05 2.90 0.41 -1.26 -0.41 118.70 122.66 2j0k s GLU 430 Ca -0.11 0.20 0.03 0.00 -0.41 0.00 0.00 54.97 54.68 2j0k s GLU 430 Cb -0.01 -2.57 0.01 0.00 -1.78 0.00 0.00 34.13 29.78 2j0k s GLU 430 CO 0.08 0.16 -0.11 0.20 -0.49 0.00 0.00 175.26 175.10 2j0k s GLY 431 N -2.99 0.71 0.00 -1.39 0.00 -0.97 -4.74 107.32 97.94 2j0k s GLY 431 Ca 0.47 -0.40 0.06 0.00 0.00 0.00 0.00 44.72 44.84 2j0k s GLY 431 CO 0.28 0.02 1.02 -0.18 0.00 0.00 0.00 173.10 174.24 2j0k n GLN 432 N 3.59 0.08 0.00 2.90 7.27 -1.26 -2.96 117.38 127.00 2j0k n GLN 432 Ca -0.21 0.23 0.00 0.00 0.07 0.00 0.00 57.00 57.09 2j0k n GLN 432 Cb 0.52 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.67 2j0k n GLN 432 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 2j0k n PHE 433 N -1.28 0.00 -3.63 3.69 -1.74 -1.26 -5.12 117.46 108.12 2j0k n PHE 433 Ca 0.03 0.00 -0.04 0.00 -0.56 0.00 0.00 57.45 56.88 2j0k n PHE 433 Cb 0.04 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.00 2j0k n PHE 433 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 2j0k s GLY 434 N -2.83 0.07 0.68 4.97 0.00 -1.16 -3.60 107.32 105.45 2j0k s GLY 434 Ca 0.00 2.80 -0.14 0.00 0.00 0.00 0.00 44.72 47.38 2j0k s GLY 434 CO 0.00 1.23 1.10 0.99 0.00 0.00 0.00 173.10 176.42 2j0k s ASP 435 N -0.86 5.03 -0.07 1.64 1.01 -1.26 -2.30 116.67 119.87 2j0k s ASP 435 Ca 0.07 1.94 0.02 0.00 0.71 0.00 0.00 52.55 55.29 2j0k s ASP 435 Cb -0.02 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 2j0k s ASP 435 CO -0.07 -1.68 -0.12 -0.69 0.21 0.00 0.00 175.17 172.81 2j0k s VAL 436 N -2.49 3.21 0.18 -1.27 1.01 0.45 0.21 120.40 121.70 2j0k s VAL 436 Ca 0.65 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 62.06 2j0k s VAL 436 Cb -0.19 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2j0k s VAL 436 CO 0.45 0.58 -0.16 -1.00 0.00 0.00 0.00 175.10 174.96 2j0k s HIS 437 N -0.51 1.76 0.61 5.22 3.76 0.33 -0.43 115.29 126.04 2j0k s HIS 437 Ca 0.07 -0.51 -0.09 0.00 -0.15 0.00 0.00 55.06 54.37 2j0k s HIS 437 Cb -0.12 -0.85 -0.02 0.00 1.11 0.00 0.00 32.58 32.70 2j0k s HIS 437 CO 0.02 0.34 0.99 -1.14 -0.85 0.00 0.00 174.74 174.10 2j0k s GLN 438 N -3.17 3.32 -0.09 1.40 0.74 -0.47 -0.64 119.66 120.76 2j0k s GLN 438 Ca 0.18 0.49 -0.30 0.00 0.05 0.00 0.00 55.36 55.78 2j0k s GLN 438 Cb -0.04 -2.14 0.12 0.00 1.10 0.00 0.00 33.01 32.05 2j0k s GLN 438 CO 0.07 -0.64 0.97 0.20 -0.55 0.00 0.00 175.29 175.35 2j0k s GLY 439 N -4.23 -0.36 -0.13 2.59 0.00 -0.05 -0.35 107.32 104.78 2j0k s GLY 439 Ca 0.54 1.49 -0.07 0.00 0.00 0.00 0.00 44.72 46.68 2j0k s GLY 439 CO 0.51 0.63 0.13 -0.42 0.00 0.00 0.00 173.10 173.95 2j0k s ILE 440 N -2.25 5.40 -0.24 0.90 -1.09 -0.56 -0.18 121.20 123.19 2j0k s ILE 440 Ca 0.03 0.17 0.01 0.00 -2.23 0.00 0.00 60.65 58.63 2j0k s ILE 440 Cb -0.01 -3.37 0.06 0.00 -1.58 0.00 0.00 42.46 37.57 2j0k s ILE 440 CO -0.04 0.59 -0.05 -0.47 -1.23 0.00 0.00 174.94 173.74 2j0k s TYR 441 N -0.80 2.50 -0.46 3.97 5.04 0.90 -0.95 117.35 127.54 2j0k s TYR 441 Ca 0.14 -1.85 -0.18 0.00 -2.44 0.00 0.00 57.07 52.74 2j0k s TYR 441 Cb -0.12 -1.66 0.05 0.00 0.35 0.00 0.00 41.96 40.58 2j0k s TYR 441 CO 0.03 -0.79 0.51 -1.64 -1.34 0.00 0.00 175.55 172.32 2j0k s MET 442 N 1.36 3.09 -0.21 4.97 -1.94 -0.84 -2.16 119.30 123.57 2j0k s MET 442 Ca -0.05 -0.91 -0.16 0.00 -1.71 0.00 0.00 55.69 52.86 2j0k s MET 442 Cb -0.19 -4.05 -0.04 0.00 2.01 0.00 0.00 34.83 32.56 2j0k s MET 442 CO -0.07 -1.03 0.39 -1.54 -0.01 0.00 0.00 175.02 172.76 2j0k s SER 443 N 2.31 6.41 0.16 3.03 1.04 -1.26 -4.80 113.70 120.59 2j0k s SER 443 Ca 0.12 0.49 -0.27 0.00 0.48 0.00 0.00 55.95 56.77 2j0k s SER 443 Cb -0.19 -2.23 0.01 0.00 0.10 0.00 0.00 66.02 63.71 2j0k s SER 443 CO 0.12 -0.08 1.57 1.55 0.98 0.00 0.00 173.24 177.37 2j0k h PRO 444 N 7.43 -0.26 -6.04 4.02 0.13 -1.96 -2.56 132.00 132.76 2j0k h PRO 444 Ca -0.36 0.02 -0.60 0.00 -0.87 0.00 0.00 66.00 64.19 2j0k h PRO 444 Cb 1.16 0.06 -0.11 0.00 0.13 0.00 0.00 31.00 32.24 2j0k h PRO 444 CO 0.71 -0.17 0.67 -1.21 -0.23 0.00 0.00 178.00 177.76 2j0k s GLU 445 N -5.81 3.38 0.00 0.86 2.02 -1.26 -4.92 118.70 112.97 2j0k s GLU 445 Ca -0.14 -0.13 0.00 0.00 0.02 0.00 0.00 54.97 54.71 2j0k s GLU 445 Cb 0.12 -4.04 0.00 0.00 0.10 0.00 0.00 34.13 30.31 2j0k s GLU 445 CO 0.65 -1.53 0.00 0.09 0.02 0.00 0.00 175.26 174.49 2j0k n ASN 446 N 7.69 0.00 -4.79 -0.19 5.03 -0.96 -5.12 115.26 116.92 2j0k n ASN 446 Ca 0.03 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.20 2j0k n ASN 446 Cb 0.48 0.00 0.13 0.00 -1.02 0.00 0.00 39.78 39.37 2j0k n ASN 446 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2j0k s PRO 447 N -3.39 1.18 1.00 3.52 0.04 -1.26 -4.24 135.00 131.86 2j0k s PRO 447 Ca 0.00 0.29 -0.13 0.00 0.04 0.00 0.00 61.00 61.19 2j0k s PRO 447 Cb 0.00 -1.84 0.11 0.00 0.04 0.00 0.00 34.50 32.80 2j0k s PRO 447 CO 0.00 -2.17 0.58 0.00 0.04 0.00 0.00 177.00 175.46 2j0k n ALA 448 N -3.74 -2.50 -3.55 8.56 0.00 -1.26 -4.41 120.51 113.60 2j0k n ALA 448 Ca 0.07 -0.79 -0.11 0.00 0.00 0.00 0.00 53.44 52.60 2j0k n ALA 448 Cb 0.59 -1.87 -0.10 0.00 0.00 0.00 0.00 19.45 18.08 2j0k n ALA 448 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2j0k s MET 449 N -3.93 0.47 0.04 0.00 1.75 -0.92 -4.96 119.30 111.75 2j0k s MET 449 Ca 0.61 0.75 -0.30 0.00 -1.25 0.00 0.00 55.69 55.50 2j0k s MET 449 Cb -0.20 0.10 -0.04 0.00 2.84 0.00 0.00 34.83 37.52 2j0k s MET 449 CO 0.65 -0.12 1.01 0.00 -0.65 0.00 0.00 175.02 175.91 2j0k s ALA 450 N 0.96 3.22 0.07 4.11 0.00 -1.26 -0.07 121.76 128.78 2j0k s ALA 450 Ca -0.06 0.60 0.01 0.00 0.00 0.00 0.00 51.96 52.51 2j0k s ALA 450 Cb -0.06 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 2j0k s ALA 450 CO -0.08 -0.21 -0.06 0.14 0.00 0.00 0.00 175.76 175.55 2j0k s VAL 451 N 0.75 0.50 0.02 0.00 -7.23 0.75 -4.02 120.40 111.16 2j0k s VAL 451 Ca 0.52 -1.66 -0.03 0.00 -1.81 0.00 0.00 61.98 58.99 2j0k s VAL 451 Cb -0.23 -1.33 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 2j0k s VAL 451 CO 0.29 -0.79 0.22 0.00 -0.31 0.00 0.00 175.10 174.52 2j0k s ALA 452 N -3.11 3.93 -0.20 1.32 0.00 0.55 -0.88 121.76 123.37 2j0k s ALA 452 Ca 0.04 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.27 2j0k s ALA 452 Cb 0.02 -1.94 0.06 0.00 0.00 0.00 0.00 23.12 21.26 2j0k s ALA 452 CO -0.05 0.73 0.02 0.42 0.00 0.00 0.00 175.76 176.88 2j0k s ILE 453 N -1.38 0.71 -0.29 0.00 1.01 0.19 -1.25 121.20 120.20 2j0k s ILE 453 Ca 0.30 -0.69 -0.20 0.00 0.00 0.00 0.00 60.65 60.05 2j0k s ILE 453 Cb -0.13 -1.18 -0.01 0.00 0.01 0.00 0.00 42.46 41.15 2j0k s ILE 453 CO 0.20 -0.20 0.64 -0.75 0.00 0.00 0.00 174.94 174.83 2j0k s LYS 454 N 1.77 3.97 0.48 2.79 2.20 -0.69 -0.51 119.74 129.75 2j0k s LYS 454 Ca -0.02 0.40 0.02 0.00 -0.36 0.00 0.00 55.97 56.01 2j0k s LYS 454 Cb -0.17 -3.70 0.01 0.00 -1.51 0.00 0.00 37.83 32.46 2j0k s LYS 454 CO -0.08 -0.53 0.68 0.95 -0.36 0.00 0.00 175.35 176.02 2j0k s THR 455 N 2.59 3.41 -0.04 3.43 -4.23 0.13 -2.18 115.64 118.76 2j0k s THR 455 Ca 0.26 -0.65 0.03 0.00 -1.18 0.00 0.00 61.69 60.15 2j0k s THR 455 Cb -0.15 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.45 2j0k s THR 455 CO 0.11 -0.16 -0.12 0.00 -0.54 0.00 0.00 174.62 173.91 2j0k n LYS 457 N 3.40 0.21 -1.83 0.00 4.81 -1.24 -4.53 118.16 118.98 2j0k n LYS 457 Ca -0.20 0.19 -0.38 0.00 -0.87 0.00 0.00 58.31 57.05 2j0k n LYS 457 Cb 0.53 -0.99 -0.02 0.00 0.02 0.00 0.00 35.03 34.58 2j0k n LYS 457 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2j0k n ASN 458 N -3.30 7.96 0.20 3.14 3.02 -1.26 -4.65 115.26 120.37 2j0k n ASN 458 Ca -0.05 -3.06 0.09 0.00 -0.03 0.00 0.00 54.58 51.53 2j0k n ASN 458 Cb 0.18 -1.38 0.20 0.00 -0.61 0.00 0.00 39.78 38.17 2j0k n ASN 458 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2j0k h THR 460 N 0.00 1.27 -2.10 0.00 1.35 -1.96 -3.40 112.91 108.08 2j0k h THR 460 Ca -0.00 -1.51 -0.59 0.00 -0.55 0.00 0.00 66.41 63.76 2j0k h THR 460 Cb 1.07 1.33 -0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2j0k h THR 460 CO 0.03 0.50 1.46 -0.94 -0.25 0.00 0.00 175.52 176.32 2j0k s SER 461 N -6.81 5.54 0.22 5.36 1.04 -1.23 -4.91 113.70 112.91 2j0k s SER 461 Ca -0.10 1.84 -0.07 0.00 0.48 0.00 0.00 55.95 58.10 2j0k s SER 461 Cb 0.12 -2.51 0.18 0.00 0.10 0.00 0.00 66.02 63.91 2j0k s SER 461 CO 0.87 -1.90 1.74 0.44 0.98 0.00 0.00 173.24 175.37 2j0k h ASP 462 N 14.63 1.00 0.57 7.02 3.32 -1.89 -2.48 116.42 138.59 2j0k h ASP 462 Ca -0.40 -0.21 -0.17 0.00 0.02 0.00 0.00 57.03 56.26 2j0k h ASP 462 Cb 1.23 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 2j0k h ASP 462 CO 0.97 0.98 -0.77 0.77 -1.72 0.00 0.00 179.24 179.47 2j0k h SER 463 N 1.01 0.19 -0.52 6.45 4.64 -1.91 -0.42 113.55 122.99 2j0k h SER 463 Ca 0.21 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 2j0k h SER 463 Cb 0.38 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 2j0k h SER 463 CO 0.00 0.88 0.28 0.58 -0.87 0.00 0.00 176.83 177.71 2j0k h VAL 464 N 0.10 1.17 -0.19 0.95 2.07 -1.82 0.33 116.25 118.85 2j0k h VAL 464 Ca -0.02 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 2j0k h VAL 464 Cb 1.35 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2j0k h VAL 464 CO 0.11 0.20 -0.02 -0.09 0.02 0.00 0.00 177.57 177.79 2j0k h ARG 465 N 0.76 0.34 -0.07 1.57 2.43 -1.18 -2.17 114.38 116.07 2j0k h ARG 465 Ca 0.19 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 2j0k h ARG 465 Cb 0.05 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2j0k h ARG 465 CO -0.03 0.58 -0.30 1.49 -1.51 0.00 0.00 179.97 180.20 2j0k h GLU 466 N 0.08 0.12 0.09 0.20 4.81 -0.07 -2.11 114.58 117.70 2j0k h GLU 466 Ca 0.05 -0.04 -0.26 0.00 -0.13 0.00 0.00 59.36 58.98 2j0k h GLU 466 Cb 0.44 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2j0k h GLU 466 CO 0.01 0.42 -1.14 0.87 -0.73 0.00 0.00 179.01 178.44 2j0k h LYS 467 N 0.11 0.29 0.23 1.92 1.57 -0.46 -2.91 116.57 117.32 2j0k h LYS 467 Ca 0.02 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.36 2j0k h LYS 467 Cb 0.60 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 2j0k h LYS 467 CO 0.04 1.17 -0.14 0.35 -0.57 0.00 0.00 179.45 180.30 2j0k h PHE 468 N 0.11 -0.37 0.00 -1.35 3.57 -0.76 -2.79 116.94 115.35 2j0k h PHE 468 Ca -0.11 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.38 2j0k h PHE 468 Cb 1.84 0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.72 2j0k h PHE 468 CO 0.06 -0.21 0.00 1.47 -2.23 0.00 0.00 178.31 177.40 2j0k n LEU 469 N -3.09 0.00 -0.05 0.59 -0.00 -0.86 -1.42 117.00 112.17 2j0k n LEU 469 Ca -0.04 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.82 2j0k n LEU 469 Cb 0.14 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.50 2j0k n LEU 469 CO 0.10 0.00 0.43 -0.61 -0.00 0.00 0.00 177.39 177.31 2j0k h GLN 470 N 0.00 0.65 -0.85 1.47 5.75 -1.28 -3.16 115.11 117.69 2j0k h GLN 470 Ca 0.00 -0.45 0.16 0.00 -0.15 0.00 0.00 58.65 58.22 2j0k h GLN 470 Cb 0.00 0.07 -0.10 0.00 1.07 0.00 0.00 27.48 28.52 2j0k h GLN 470 CO 0.00 1.07 0.42 1.49 -2.65 0.00 0.00 178.83 179.15 2j0k h GLU 471 N 0.33 0.54 -0.06 1.69 4.81 -1.26 -1.08 114.58 119.55 2j0k h GLU 471 Ca -0.01 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 2j0k h GLU 471 Cb 1.08 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 2j0k h GLU 471 CO 0.10 0.36 -0.30 0.00 -0.73 0.00 0.00 179.01 178.44 2j0k h ALA 472 N 1.59 1.38 -0.52 2.92 0.00 -1.69 -2.59 119.26 120.35 2j0k h ALA 472 Ca 0.48 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2j0k h ALA 472 Cb 0.75 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2j0k h ALA 472 CO -0.40 0.45 0.19 -0.07 0.00 0.00 0.00 179.25 179.41 2j0k h LEU 473 N 0.10 0.73 -0.32 0.00 3.38 -1.17 -2.40 115.31 115.64 2j0k h LEU 473 Ca 0.01 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 2j0k h LEU 473 Cb 0.60 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2j0k h LEU 473 CO 0.04 0.72 -0.16 0.71 0.09 0.00 0.00 178.44 179.84 2j0k h THR 474 N 0.70 1.29 -0.09 0.22 1.35 -1.22 -2.92 112.91 112.25 2j0k h THR 474 Ca 0.17 -1.27 0.03 0.00 -0.55 0.00 0.00 66.41 64.79 2j0k h THR 474 Cb 0.23 1.44 -0.00 0.00 -1.73 0.00 0.00 68.15 68.08 2j0k h THR 474 CO -0.01 0.41 0.08 0.24 -0.25 0.00 0.00 175.52 175.99 2j0k h MET 475 N 0.43 0.00 -0.60 4.72 2.86 -1.35 -1.01 114.93 119.97 2j0k h MET 475 Ca 0.07 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.80 2j0k h MET 475 Cb 0.69 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.28 2j0k h MET 475 CO 0.05 0.00 0.23 -0.09 1.06 0.00 0.00 176.91 178.15 2j0k h ARG 476 N 0.00 0.39 -0.35 1.72 1.12 -1.22 -2.95 114.38 113.09 2j0k h ARG 476 Ca 0.04 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.88 2j0k h ARG 476 Cb 0.21 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.06 2j0k h ARG 476 CO -0.00 0.26 0.17 1.96 -3.11 0.00 0.00 179.97 179.25 2j0k h GLN 477 N 0.41 0.47 -6.05 0.20 1.08 -1.28 -3.44 115.11 106.50 2j0k h GLN 477 Ca 0.30 -0.05 -0.60 0.00 -1.45 0.00 0.00 58.65 56.86 2j0k h GLN 477 Cb 0.37 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.65 2j0k h GLN 477 CO -0.30 0.37 -0.15 -0.06 -0.95 0.00 0.00 178.83 177.74 2j0k s PHE 478 N -5.31 3.73 -0.25 2.96 2.99 -1.12 -5.04 117.98 115.94 2j0k s PHE 478 Ca -0.08 1.07 -0.02 0.00 0.00 0.00 0.00 56.93 57.90 2j0k s PHE 478 Cb 0.17 -2.37 0.13 0.00 0.00 0.00 0.00 43.02 40.95 2j0k s PHE 478 CO 0.73 0.59 0.33 0.34 -0.00 0.00 0.00 175.22 177.21 2j0k s ASP 479 N -0.93 0.82 -0.24 1.36 2.15 -1.26 -4.87 116.67 113.70 2j0k s ASP 479 Ca 0.25 -0.20 -0.27 0.00 0.43 0.00 0.00 52.55 52.77 2j0k s ASP 479 Cb -0.17 0.83 0.12 0.00 -0.30 0.00 0.00 42.92 43.40 2j0k s ASP 479 CO 0.15 -0.34 1.01 -2.28 -0.17 0.00 0.00 175.17 173.55 2j0k s HIS 480 N 2.46 -0.45 -2.00 -5.34 2.46 -1.26 -5.07 115.29 106.09 2j0k s HIS 480 Ca 0.10 1.00 0.24 0.00 0.47 0.00 0.00 55.06 56.88 2j0k s HIS 480 Cb -0.15 0.39 1.46 0.00 -0.13 0.00 0.00 32.58 34.15 2j0k s HIS 480 CO -0.22 -0.27 1.84 -2.30 -2.47 0.00 0.00 174.74 171.32 2j0k n PRO 481 N 1.75 0.80 -0.90 2.88 -0.02 -1.26 -2.73 135.00 135.53 2j0k n PRO 481 Ca -0.12 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.41 2j0k n PRO 481 Cb 0.56 -1.48 0.12 0.00 -0.02 0.00 0.00 33.50 32.68 2j0k n PRO 481 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2j0k n HIS 482 N -0.98 0.00 -4.86 6.00 8.25 -1.26 -4.89 115.22 117.48 2j0k n HIS 482 Ca 0.18 -0.97 -0.26 0.00 -0.26 0.00 0.00 57.72 56.41 2j0k n HIS 482 Cb 0.08 -0.19 -0.16 0.00 1.12 0.00 0.00 29.99 30.84 2j0k n HIS 482 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2j0k s ILE 483 N -1.74 1.47 -0.19 1.59 1.01 -1.10 -0.67 121.20 121.57 2j0k s ILE 483 Ca 0.33 -0.73 -0.29 0.00 0.00 0.00 0.00 60.65 59.96 2j0k s ILE 483 Cb 0.35 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.51 2j0k s ILE 483 CO -0.10 0.42 1.84 0.54 0.00 0.00 0.00 174.94 177.65 2j0k s VAL 484 N 0.05 3.39 0.04 2.92 0.11 -0.73 -4.77 120.40 121.40 2j0k s VAL 484 Ca -0.04 0.43 -0.30 0.00 -2.93 0.00 0.00 61.98 59.13 2j0k s VAL 484 Cb -0.12 -3.41 -0.08 0.00 -1.53 0.00 0.00 36.38 31.24 2j0k s VAL 484 CO 0.02 -0.19 1.69 -0.75 -3.33 0.00 0.00 175.10 172.55 2j0k s LYS 485 N 5.15 4.19 0.22 1.54 2.20 -1.26 -4.91 119.74 126.87 2j0k s LYS 485 Ca 0.82 2.33 -0.30 0.00 -0.36 0.00 0.00 55.97 58.47 2j0k s LYS 485 Cb -0.30 -3.76 -0.09 0.00 -1.51 0.00 0.00 37.83 32.17 2j0k s LYS 485 CO 0.33 -0.79 1.32 -1.17 -0.36 0.00 0.00 175.35 174.68 2j0k s LEU 486 N 3.20 4.42 -0.13 5.43 2.96 -1.26 -1.93 118.68 131.36 2j0k s LEU 486 Ca 0.76 2.45 0.08 0.00 -0.22 0.00 0.00 54.13 57.20 2j0k s LEU 486 Cb -0.39 -3.62 -0.14 0.00 0.50 0.00 0.00 46.19 42.55 2j0k s LEU 486 CO 0.33 -0.53 -0.01 -0.38 -1.32 0.00 0.00 176.35 174.43 2j0k n ILE 487 N 2.35 0.86 0.00 6.68 5.41 0.12 -4.90 119.36 129.88 2j0k n ILE 487 Ca 0.05 -0.46 0.00 0.00 1.00 0.00 0.00 62.75 63.34 2j0k n ILE 487 Cb 0.42 -0.79 0.00 0.00 -0.71 0.00 0.00 39.64 38.56 2j0k n ILE 487 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2j0k n GLY 488 N 2.40 -0.92 3.19 7.39 0.00 -0.43 -4.95 105.19 111.86 2j0k n GLY 488 Ca -0.22 -1.10 -0.11 0.00 0.00 0.00 0.00 46.02 44.59 2j0k n GLY 488 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2j0k s VAL 489 N -2.00 0.59 -0.24 1.61 -7.23 -0.58 -0.07 120.40 112.49 2j0k s VAL 489 Ca 0.00 -1.94 0.02 0.00 -1.81 0.00 0.00 61.98 58.25 2j0k s VAL 489 Cb 0.00 -1.86 0.05 0.00 0.56 0.00 0.00 36.38 35.13 2j0k s VAL 489 CO 0.00 -0.70 -0.10 -0.63 -0.31 0.00 0.00 175.10 173.36 2j0k s ILE 490 N -3.71 1.91 -0.37 -0.62 1.01 -0.10 -1.62 121.20 117.71 2j0k s ILE 490 Ca 0.17 -1.36 0.09 0.00 0.00 0.00 0.00 60.65 59.55 2j0k s ILE 490 Cb 0.06 -2.03 0.66 0.00 0.01 0.00 0.00 42.46 41.16 2j0k s ILE 490 CO -0.01 0.04 1.61 0.35 0.00 0.00 0.00 174.94 176.93 2j0k n THR 491 N 4.55 2.47 -4.86 2.92 -2.24 -1.26 -2.26 114.28 113.60 2j0k n THR 491 Ca -0.14 -1.29 -0.31 0.00 -2.27 0.00 0.00 64.05 60.04 2j0k n THR 491 Cb 0.44 -0.38 -0.14 0.00 -2.10 0.00 0.00 70.33 68.15 2j0k n THR 491 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2j0k s GLU 492 N -2.56 1.96 0.28 -0.78 2.02 -1.26 -4.98 118.70 113.38 2j0k s GLU 492 Ca 0.46 -1.03 -0.30 0.00 0.02 0.00 0.00 54.97 54.12 2j0k s GLU 492 Cb 0.36 -2.08 -0.12 0.00 0.10 0.00 0.00 34.13 32.40 2j0k s GLU 492 CO 0.12 0.53 1.54 0.09 0.02 0.00 0.00 175.26 177.57 2j0k n ASN 493 N 1.79 3.56 -4.76 -0.19 3.02 -1.26 -3.04 115.26 114.38 2j0k n ASN 493 Ca -0.17 1.15 -0.40 0.00 -0.03 0.00 0.00 54.58 55.13 2j0k n ASN 493 Cb 0.52 -1.55 -0.05 0.00 -0.61 0.00 0.00 39.78 38.09 2j0k n ASN 493 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2j0k s PRO 494 N -0.49 4.68 0.19 3.52 0.04 -1.26 -5.09 135.00 136.59 2j0k s PRO 494 Ca 0.65 1.66 -0.30 0.00 0.04 0.00 0.00 61.00 63.04 2j0k s PRO 494 Cb -0.54 -3.16 -0.09 0.00 0.04 0.00 0.00 34.50 30.75 2j0k s PRO 494 CO 0.49 0.30 1.37 0.08 0.04 0.00 0.00 177.00 179.27 2j0k s VAL 495 N -1.22 3.10 -0.05 -0.36 1.01 -1.17 -4.89 120.40 116.81 2j0k s VAL 495 Ca 0.44 0.87 0.05 0.00 0.00 0.00 0.00 61.98 63.35 2j0k s VAL 495 Cb -0.29 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 2j0k s VAL 495 CO 0.36 0.11 -0.21 0.26 0.00 0.00 0.00 175.10 175.62 2j0k s TRP 496 N 0.39 2.51 -0.20 5.22 0.52 -0.96 -3.32 118.94 123.09 2j0k s TRP 496 Ca 0.60 -0.50 -0.03 0.00 0.02 0.00 0.00 56.10 56.18 2j0k s TRP 496 Cb -0.38 -1.60 -0.01 0.00 -1.15 0.00 0.00 33.47 30.33 2j0k s TRP 496 CO 0.37 -0.07 -0.06 0.42 0.02 0.00 0.00 176.95 177.63 2j0k s ILE 497 N -0.37 3.32 -0.23 2.03 1.01 -0.93 -0.92 121.20 125.11 2j0k s ILE 497 Ca 0.03 -0.52 -0.10 0.00 0.00 0.00 0.00 60.65 60.06 2j0k s ILE 497 Cb -0.12 -2.49 -0.05 0.00 0.01 0.00 0.00 42.46 39.81 2j0k s ILE 497 CO 0.02 0.44 0.15 -0.63 0.00 0.00 0.00 174.94 174.92 2j0k s ILE 498 N 1.26 5.34 0.30 2.92 -1.09 0.90 -1.70 121.20 129.14 2j0k s ILE 498 Ca 0.03 0.17 0.03 0.00 -2.23 0.00 0.00 60.65 58.65 2j0k s ILE 498 Cb -0.14 -3.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 2j0k s ILE 498 CO -0.02 0.38 0.14 0.00 -1.23 0.00 0.00 174.94 174.20 2j0k s MET 499 N 0.84 1.56 0.68 2.79 0.23 -0.38 0.13 119.30 125.15 2j0k s MET 499 Ca 0.07 -1.88 -0.15 0.00 -1.03 0.00 0.00 55.69 52.71 2j0k s MET 499 Cb -0.13 -0.17 0.01 0.00 -1.53 0.00 0.00 34.83 33.01 2j0k s MET 499 CO 0.02 -0.41 1.13 -1.83 -2.03 0.00 0.00 175.02 171.91 2j0k s GLU 500 N -3.88 2.59 -0.22 3.16 -1.05 -0.81 -0.33 118.70 118.16 2j0k s GLU 500 Ca 0.36 1.49 -0.07 0.00 -0.15 0.00 0.00 54.97 56.59 2j0k s GLU 500 Cb 0.06 -1.92 -0.03 0.00 -0.44 0.00 0.00 34.13 31.80 2j0k s GLU 500 CO 0.16 -1.43 0.06 -1.17 0.95 0.00 0.00 175.26 173.84 2j0k s LEU 501 N -4.98 3.55 -0.92 1.83 2.96 -1.26 -4.02 118.68 115.84 2j0k s LEU 501 Ca 0.69 -0.11 -0.20 0.00 -0.22 0.00 0.00 54.13 54.29 2j0k s LEU 501 Cb -0.23 -1.93 0.12 0.00 0.50 0.00 0.00 46.19 44.65 2j0k s LEU 501 CO 0.43 0.04 1.15 0.00 -1.32 0.00 0.00 176.35 176.65 2j0k h THR 503 N 5.96 0.32 -0.19 0.00 2.02 -1.78 -1.47 112.91 117.76 2j0k h THR 503 Ca 0.12 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.23 2j0k h THR 503 Cb 1.03 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2j0k h THR 503 CO 1.15 0.04 0.00 0.18 0.37 0.00 0.00 175.52 177.26 2j0k n LEU 504 N -5.20 1.02 0.00 2.58 4.77 -0.74 -5.01 117.00 114.41 2j0k n LEU 504 Ca 0.22 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 2j0k n LEU 504 Cb 0.71 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2j0k n LEU 504 CO 0.07 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2j0k n GLY 505 N 0.81 -1.87 3.77 -0.72 0.00 -0.56 -4.65 105.19 101.97 2j0k n GLY 505 Ca 0.07 -1.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.23 2j0k n GLY 505 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2j0k s GLU 506 N 0.00 3.85 0.12 1.61 -1.05 -1.26 0.29 118.70 122.25 2j0k s GLU 506 Ca 0.00 1.92 -0.14 0.00 -0.15 0.00 0.00 54.97 56.60 2j0k s GLU 506 Cb 0.00 -2.56 -0.04 0.00 -0.44 0.00 0.00 34.13 31.08 2j0k s GLU 506 CO 0.00 -0.52 1.51 1.25 0.95 0.00 0.00 175.26 178.45 2j0k h LEU 507 N 2.34 0.76 0.45 1.83 5.85 -1.56 -1.41 115.31 123.56 2j0k h LEU 507 Ca -0.49 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 57.83 2j0k h LEU 507 Cb 1.25 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 2j0k h LEU 507 CO 0.61 0.97 -0.38 0.03 -0.34 0.00 0.00 178.44 179.33 2j0k h ARG 508 N 0.54 -0.78 -0.78 1.25 3.08 -1.86 0.79 114.38 116.61 2j0k h ARG 508 Ca 0.09 0.05 0.18 0.00 0.07 0.00 0.00 59.98 60.37 2j0k h ARG 508 Cb 0.67 0.18 -0.14 0.00 0.08 0.00 0.00 29.97 30.75 2j0k h ARG 508 CO 0.05 -0.52 -0.02 1.03 -1.07 0.00 0.00 179.97 179.43 2j0k h SER 509 N -0.81 -0.42 -1.00 7.04 0.87 -1.90 -0.42 113.55 116.91 2j0k h SER 509 Ca -0.06 0.21 0.09 0.00 -1.23 0.00 0.00 61.79 60.80 2j0k h SER 509 Cb 0.69 0.38 -0.07 0.00 -0.44 0.00 0.00 62.40 62.95 2j0k h SER 509 CO -0.01 -0.21 0.64 0.15 -0.53 0.00 0.00 176.83 176.88 2j0k h PHE 510 N 0.08 1.18 0.13 2.24 3.57 -0.55 -2.32 116.94 121.27 2j0k h PHE 510 Ca 0.42 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.95 2j0k h PHE 510 Cb 0.75 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.11 2j0k h PHE 510 CO -0.46 0.55 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.04 2j0k h LEU 511 N 1.10 -0.15 -0.74 0.59 3.38 0.73 -2.93 115.31 117.28 2j0k h LEU 511 Ca 0.46 -0.30 0.11 0.00 0.09 0.00 0.00 57.88 58.24 2j0k h LEU 511 Cb 0.31 0.04 -0.12 0.00 0.09 0.00 0.00 40.66 40.98 2j0k h LEU 511 CO -0.21 0.44 -0.42 1.56 0.09 0.00 0.00 178.44 179.89 2j0k h GLN 512 N -0.96 -0.13 -0.72 1.13 4.20 -1.10 0.18 115.11 117.72 2j0k h GLN 512 Ca -0.02 0.01 0.15 0.00 0.06 0.00 0.00 58.65 58.85 2j0k h GLN 512 Cb 0.45 0.03 -0.10 0.00 0.30 0.00 0.00 27.48 28.15 2j0k h GLN 512 CO 0.03 -0.08 0.18 0.28 -0.67 0.00 0.00 178.83 178.56 2j0k h VAL 513 N -0.13 0.55 -0.85 -0.54 2.07 -1.53 -2.53 116.25 113.28 2j0k h VAL 513 Ca 0.23 -0.10 -0.44 0.00 0.82 0.00 0.00 66.70 67.21 2j0k h VAL 513 Cb 0.55 0.24 -0.26 0.00 -1.52 0.00 0.00 31.29 30.30 2j0k h VAL 513 CO -0.80 0.05 0.49 0.54 0.02 0.00 0.00 177.57 177.87 2j0k n ARG 514 N -5.14 2.15 0.01 1.57 1.74 0.46 -4.68 116.66 112.78 2j0k n ARG 514 Ca 0.13 -3.06 0.22 0.00 -0.77 0.00 0.00 57.85 54.38 2j0k n ARG 514 Cb 0.43 -2.10 0.72 0.00 -1.02 0.00 0.00 32.46 30.50 2j0k n ARG 514 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2j0k h LYS 515 N 1.01 0.00 0.00 5.56 3.64 -0.58 -2.62 116.57 123.57 2j0k h LYS 515 Ca 0.54 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.92 2j0k h LYS 515 Cb 2.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.41 2j0k h LYS 515 CO 0.95 0.00 -0.02 1.19 -2.27 0.00 0.00 179.45 179.29 2j0k n PHE 516 N -3.87 0.00 -0.42 1.91 3.72 -1.26 -4.62 117.46 112.91 2j0k n PHE 516 Ca 0.11 -0.82 0.00 0.00 -0.05 0.00 0.00 57.45 56.69 2j0k n PHE 516 Cb 0.73 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 39.15 2j0k n PHE 516 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2j0k n SER 517 N -1.13 0.65 -4.35 4.37 3.41 -0.99 -5.01 113.62 110.57 2j0k n SER 517 Ca 0.11 -1.07 -0.36 0.00 -0.26 0.00 0.00 58.87 57.28 2j0k n SER 517 Cb 0.55 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.37 2j0k n SER 517 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2j0k s LEU 518 N -0.07 3.53 0.68 1.04 1.43 -1.21 -5.10 118.68 118.98 2j0k s LEU 518 Ca 0.00 -0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 52.39 2j0k s LEU 518 Cb 0.00 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.38 2j0k s LEU 518 CO 0.00 -0.12 1.23 1.51 0.23 0.00 0.00 176.35 179.21 2j0k s ASP 519 N 1.51 4.53 0.25 2.29 -4.77 -1.26 -4.90 116.67 114.32 2j0k s ASP 519 Ca 0.04 2.45 -0.04 0.00 -3.30 0.00 0.00 52.55 51.70 2j0k s ASP 519 Cb -0.16 -2.60 0.46 0.00 -1.09 0.00 0.00 42.92 39.53 2j0k s ASP 519 CO 0.01 -2.04 1.75 0.25 0.70 0.00 0.00 175.17 175.84 2j0k h LEU 520 N 0.21 0.40 -1.73 2.11 5.85 -1.98 -0.93 115.31 119.23 2j0k h LEU 520 Ca -0.49 0.09 0.34 0.00 0.84 0.00 0.00 57.88 58.66 2j0k h LEU 520 Cb 1.31 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 42.31 2j0k h LEU 520 CO 0.52 0.17 0.81 0.00 -0.34 0.00 0.00 178.44 179.61 2j0k h ALA 521 N 1.53 2.82 0.09 1.25 0.00 -1.92 -0.54 119.26 122.49 2j0k h ALA 521 Ca 0.42 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 2j0k h ALA 521 Cb 0.59 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2j0k h ALA 521 CO -0.36 -1.22 -0.04 0.77 0.00 0.00 0.00 179.25 178.40 2j0k h SER 522 N 0.14 -0.10 -0.44 0.00 0.02 -1.53 -2.12 113.55 109.52 2j0k h SER 522 Ca 0.61 -0.46 0.09 0.00 -0.84 0.00 0.00 61.79 61.19 2j0k h SER 522 Cb 2.10 0.03 -0.09 0.00 0.14 0.00 0.00 62.40 64.58 2j0k h SER 522 CO -0.14 0.45 -0.13 -0.07 -1.14 0.00 0.00 176.83 175.80 2j0k h LEU 523 N -0.72 -0.48 -0.59 5.07 3.38 -1.05 -0.80 115.31 120.12 2j0k h LEU 523 Ca -0.01 0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 2j0k h LEU 523 Cb 0.56 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2j0k h LEU 523 CO 0.02 -0.17 -0.50 0.16 0.09 0.00 0.00 178.44 178.04 2j0k h ILE 524 N -0.03 1.03 -0.95 1.22 3.07 -1.49 -2.53 117.51 117.82 2j0k h ILE 524 Ca 0.21 -1.96 0.18 0.00 1.55 0.00 0.00 64.86 64.84 2j0k h ILE 524 Cb 0.36 2.17 -0.11 0.00 -0.27 0.00 0.00 36.82 38.97 2j0k h ILE 524 CO -0.47 0.49 0.54 0.25 -1.05 0.00 0.00 178.15 177.91 2j0k h LEU 525 N 0.00 0.66 0.09 0.16 5.85 -0.45 -0.24 115.31 121.38 2j0k h LEU 525 Ca -0.00 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2j0k h LEU 525 Cb 1.13 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2j0k h LEU 525 CO 0.06 0.22 -0.04 1.88 -0.34 0.00 0.00 178.44 180.22 2j0k h TYR 526 N 0.68 -0.11 -0.98 1.25 0.05 -0.96 -0.54 116.97 116.36 2j0k h TYR 526 Ca 0.55 -0.00 0.13 0.00 0.05 0.00 0.00 58.73 59.46 2j0k h TYR 526 Cb 0.87 0.04 -0.09 0.00 1.01 0.00 0.00 36.73 38.55 2j0k h TYR 526 CO -0.04 0.15 0.61 0.00 -1.05 0.00 0.00 178.16 177.82 2j0k h ALA 527 N 0.53 1.50 0.12 3.88 0.00 -1.43 0.78 119.26 124.64 2j0k h ALA 527 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2j0k h ALA 527 Cb 0.30 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2j0k h ALA 527 CO 0.02 0.16 -0.11 -0.92 0.00 0.00 0.00 179.25 178.40 2j0k h TYR 528 N 0.93 -0.27 -0.38 0.00 3.20 -0.52 0.28 116.97 120.22 2j0k h TYR 528 Ca 0.50 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.38 2j0k h TYR 528 Cb 0.55 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 2j0k h TYR 528 CO -0.01 -0.16 0.23 1.96 -1.64 0.00 0.00 178.16 178.54 2j0k h GLN 529 N -0.24 0.46 -0.54 1.82 4.20 -0.09 -1.55 115.11 119.17 2j0k h GLN 529 Ca -0.00 -0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.78 2j0k h GLN 529 Cb 0.23 -0.10 -0.08 0.00 0.30 0.00 0.00 27.48 27.83 2j0k h GLN 529 CO -0.02 0.30 0.11 -0.07 -0.67 0.00 0.00 178.83 178.49 2j0k h LEU 530 N 0.47 0.01 -0.99 1.46 3.38 -0.70 -2.16 115.31 116.78 2j0k h LEU 530 Ca 0.14 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 2j0k h LEU 530 Cb -0.02 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2j0k h LEU 530 CO -0.05 0.03 0.47 0.77 0.09 0.00 0.00 178.44 179.75 2j0k h SER 531 N 0.25 1.05 -0.53 -0.43 4.64 -0.26 -0.30 113.55 117.97 2j0k h SER 531 Ca 0.28 -0.09 0.01 0.00 -0.47 0.00 0.00 61.79 61.52 2j0k h SER 531 Cb 0.38 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 2j0k h SER 531 CO -0.35 0.84 0.35 0.71 -0.87 0.00 0.00 176.83 177.51 2j0k h THR 532 N 1.19 1.12 -0.08 2.95 1.35 -0.68 0.21 112.91 118.96 2j0k h THR 532 Ca 0.30 -0.24 -0.05 0.00 -0.55 0.00 0.00 66.41 65.87 2j0k h THR 532 Cb 0.02 0.37 -0.00 0.00 -1.73 0.00 0.00 68.15 66.80 2j0k h THR 532 CO -0.05 0.13 -0.14 0.00 -0.25 0.00 0.00 175.52 175.21 2j0k h ALA 533 N 1.68 0.13 -0.00 6.62 0.00 -0.85 -1.62 119.26 125.22 2j0k h ALA 533 Ca 0.20 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2j0k h ALA 533 Cb -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2j0k h ALA 533 CO -0.05 0.02 -0.38 -0.07 0.00 0.00 0.00 179.25 178.77 2j0k h LEU 534 N -0.21 0.00 0.52 0.00 3.38 -0.50 -0.16 115.31 118.34 2j0k h LEU 534 Ca 0.01 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2j0k h LEU 534 Cb 0.70 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.46 2j0k h LEU 534 CO 0.03 0.39 -0.25 0.00 0.09 0.00 0.00 178.44 178.70 2j0k h ALA 535 N 1.62 -0.69 -1.00 1.53 0.00 -0.59 -1.55 119.26 118.58 2j0k h ALA 535 Ca -0.00 -0.15 0.19 0.00 0.00 0.00 0.00 54.91 54.94 2j0k h ALA 535 Cb 0.68 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.63 2j0k h ALA 535 CO 0.05 -0.89 0.61 -0.92 0.00 0.00 0.00 179.25 178.11 2j0k h TYR 536 N -0.70 1.04 -0.18 0.00 5.03 -0.31 -0.84 116.97 121.02 2j0k h TYR 536 Ca -0.07 0.03 -0.18 0.00 2.58 0.00 0.00 58.73 61.10 2j0k h TYR 536 Cb 0.53 -0.32 -0.00 0.00 1.55 0.00 0.00 36.73 38.50 2j0k h TYR 536 CO -0.04 0.24 -0.60 -0.07 -1.32 0.00 0.00 178.16 176.37 2j0k h LEU 537 N 0.76 0.69 -0.64 2.82 3.38 -0.94 -2.80 115.31 118.57 2j0k h LEU 537 Ca 0.57 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 58.16 2j0k h LEU 537 Cb 0.90 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 2j0k h LEU 537 CO -0.36 1.13 0.42 -0.08 0.09 0.00 0.00 178.44 179.63 2j0k h GLU 538 N 0.45 0.81 0.00 1.13 4.81 -0.23 0.19 114.58 121.74 2j0k h GLU 538 Ca -0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2j0k h GLU 538 Cb 1.17 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.37 2j0k h GLU 538 CO 0.12 0.54 0.00 0.66 -0.73 0.00 0.00 179.01 179.59 2j0k h SER 539 N 0.84 0.00 -0.28 1.04 4.64 -0.93 0.27 113.55 119.13 2j0k h SER 539 Ca 0.24 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.52 2j0k h SER 539 Cb -0.06 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 2j0k h SER 539 CO -0.07 0.00 -0.00 0.29 -0.87 0.00 0.00 176.83 176.18 2j0k n LYS 540 N -2.83 2.65 -2.32 4.77 5.02 -0.84 -4.98 118.16 119.62 2j0k n LYS 540 Ca -0.02 -2.90 -0.11 0.00 -2.02 0.00 0.00 58.31 53.26 2j0k n LYS 540 Cb 0.11 -1.84 -0.01 0.00 -0.02 0.00 0.00 35.03 33.27 2j0k n LYS 540 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2j0k n ARG 541 N -0.67 -2.18 -3.36 1.97 3.00 0.95 -4.94 116.66 111.42 2j0k n ARG 541 Ca 0.24 0.56 -0.41 0.00 -0.01 0.00 0.00 57.85 58.23 2j0k n ARG 541 Cb 0.93 -5.11 -0.09 0.00 0.00 0.00 0.00 32.46 28.18 2j0k n ARG 541 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 2j0k s PHE 542 N -2.50 3.20 0.13 -1.55 2.19 -0.00 -4.99 117.98 114.45 2j0k s PHE 542 Ca 0.00 -0.05 -0.25 0.00 0.33 0.00 0.00 56.93 56.97 2j0k s PHE 542 Cb 0.00 -2.74 -0.07 0.00 -1.31 0.00 0.00 43.02 38.89 2j0k s PHE 542 CO 0.00 -0.49 0.75 0.08 1.83 0.00 0.00 175.22 177.39 2j0k s VAL 543 N 2.09 4.48 -0.20 3.12 1.01 -1.26 -4.38 120.40 125.26 2j0k s VAL 543 Ca 0.13 1.64 0.12 0.00 0.00 0.00 0.00 61.98 63.86 2j0k s VAL 543 Cb -0.16 -4.11 -0.23 0.00 0.00 0.00 0.00 36.38 31.88 2j0k s VAL 543 CO 0.12 0.50 0.04 1.57 0.00 0.00 0.00 175.10 177.33 2j0k n HIS 544 N 1.85 0.13 0.00 5.22 -0.00 -1.26 -5.00 115.22 116.16 2j0k n HIS 544 Ca -0.06 0.04 0.00 0.00 0.46 0.00 0.00 57.72 58.17 2j0k n HIS 544 Cb 0.49 -1.02 0.00 0.00 -0.12 0.00 0.00 29.99 29.34 2j0k n HIS 544 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2j0k n ARG 545 N -2.95 0.00 -3.22 1.57 1.74 -1.26 -4.82 116.66 107.72 2j0k n ARG 545 Ca -0.35 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.50 2j0k n ARG 545 Cb 1.10 -1.20 -0.07 0.00 -1.02 0.00 0.00 32.46 31.27 2j0k n ARG 545 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2j0k n ASP 546 N 0.10 -0.82 -4.68 0.55 4.64 -1.26 -5.04 116.55 110.03 2j0k n ASP 546 Ca 0.00 -2.58 -0.38 0.00 -1.38 0.00 0.00 54.79 50.45 2j0k n ASP 546 Cb 0.00 -0.15 -0.07 0.00 -1.04 0.00 0.00 41.12 39.86 2j0k n ASP 546 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2j0k s ILE 547 N -0.15 5.19 -0.15 5.18 1.01 -1.26 -4.85 121.20 126.18 2j0k s ILE 547 Ca 0.33 0.76 -0.33 0.00 0.00 0.00 0.00 60.65 61.42 2j0k s ILE 547 Cb 0.08 -3.75 0.13 0.00 0.01 0.00 0.00 42.46 38.94 2j0k s ILE 547 CO -0.16 0.26 1.12 0.00 0.00 0.00 0.00 174.94 176.16 2j0k s ALA 548 N 1.19 -2.00 0.34 9.38 0.00 -1.26 -4.58 121.76 124.83 2j0k s ALA 548 Ca 0.20 1.49 0.38 0.00 0.00 0.00 0.00 51.96 54.03 2j0k s ALA 548 Cb -0.15 -0.17 1.79 0.00 0.00 0.00 0.00 23.12 24.59 2j0k s ALA 548 CO 0.08 -0.55 2.14 0.00 0.00 0.00 0.00 175.76 177.43 2j0k h ALA 549 N 2.07 1.02 0.00 0.00 0.00 -1.93 -1.11 119.26 119.30 2j0k h ALA 549 Ca -0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2j0k h ALA 549 Cb 1.18 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2j0k h ALA 549 CO 0.26 0.01 -0.10 0.07 0.00 0.00 0.00 179.25 179.49 2j0k h ARG 550 N 0.00 0.00 -0.60 0.00 0.11 -1.97 -2.64 114.38 109.28 2j0k h ARG 550 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2j0k h ARG 550 Cb 0.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.38 2j0k h ARG 550 CO 0.00 0.10 0.00 0.09 0.10 0.00 0.00 179.97 180.27 2j0k n ASN 551 N -3.44 4.86 -4.49 0.08 3.02 -0.42 -4.91 115.26 109.96 2j0k n ASN 551 Ca -0.01 -2.57 -0.33 0.00 -0.03 0.00 0.00 54.58 51.64 2j0k n ASN 551 Cb 0.26 -0.59 -0.13 0.00 -0.61 0.00 0.00 39.78 38.72 2j0k n ASN 551 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2j0k s VAL 552 N -2.07 3.14 0.16 2.41 1.01 -0.99 -1.22 120.40 122.84 2j0k s VAL 552 Ca 0.51 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.82 2j0k s VAL 552 Cb 0.34 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2j0k s VAL 552 CO 0.22 0.55 -0.18 -0.76 0.00 0.00 0.00 175.10 174.93 2j0k s LEU 553 N -0.86 2.44 -0.25 3.92 1.43 -0.86 -2.09 118.68 122.41 2j0k s LEU 553 Ca 0.12 -0.86 -0.06 0.00 -1.03 0.00 0.00 54.13 52.30 2j0k s LEU 553 Cb -0.11 -0.80 -0.01 0.00 0.03 0.00 0.00 46.19 45.30 2j0k s LEU 553 CO 0.02 -0.05 0.03 -0.69 0.23 0.00 0.00 176.35 175.89 2j0k s VAL 554 N -2.08 3.89 -0.71 -1.59 1.01 0.14 -0.58 120.40 120.49 2j0k s VAL 554 Ca 0.15 -0.39 0.21 0.00 0.00 0.00 0.00 61.98 61.95 2j0k s VAL 554 Cb -0.05 -2.84 -0.26 0.00 0.00 0.00 0.00 36.38 33.23 2j0k s VAL 554 CO 0.06 0.32 0.78 -1.54 0.00 0.00 0.00 175.10 174.73 2j0k n SER 555 N 4.86 0.69 -3.66 3.32 3.41 -0.56 -1.80 113.62 119.89 2j0k n SER 555 Ca -0.17 -0.68 -0.02 0.00 -0.26 0.00 0.00 58.87 57.74 2j0k n SER 555 Cb 0.50 1.28 -0.01 0.00 -0.26 0.00 0.00 64.21 65.73 2j0k n SER 555 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2j0k s ALA 556 N -3.16 -1.95 0.28 7.33 0.00 -1.01 -4.48 121.76 118.77 2j0k s ALA 556 Ca 0.03 0.59 0.01 0.00 0.00 0.00 0.00 51.96 52.59 2j0k s ALA 556 Cb 0.15 0.43 0.60 0.00 0.00 0.00 0.00 23.12 24.30 2j0k s ALA 556 CO 0.88 -0.97 1.77 0.00 0.00 0.00 0.00 175.76 177.44 2j0k h THR 557 N 2.00 0.73 -0.72 0.00 1.03 -2.01 -2.21 112.91 111.73 2j0k h THR 557 Ca -0.25 -0.24 -0.38 0.00 -0.01 0.00 0.00 66.41 65.53 2j0k h THR 557 Cb 1.21 -0.02 -0.22 0.00 -1.07 0.00 0.00 68.15 68.05 2j0k h THR 557 CO 0.27 0.13 0.33 -0.90 -0.01 0.00 0.00 175.52 175.34 2j0k n ASP 558 N -4.82 3.25 -3.59 0.00 3.85 -1.26 -4.96 116.55 109.03 2j0k n ASP 558 Ca 0.19 -3.70 -0.01 0.00 -0.71 0.00 0.00 54.79 50.56 2j0k n ASP 558 Cb 0.47 -0.75 -0.04 0.00 -1.35 0.00 0.00 41.12 39.44 2j0k n ASP 558 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2j0k s VAL 560 N 2.57 2.66 0.04 0.00 -7.23 -1.26 -1.50 120.40 115.68 2j0k s VAL 560 Ca -0.06 -2.21 -0.00 0.00 -1.81 0.00 0.00 61.98 57.90 2j0k s VAL 560 Cb -0.09 -2.55 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 2j0k s VAL 560 CO -0.19 -0.33 -0.04 -0.54 -0.31 0.00 0.00 175.10 173.70 2j0k s LYS 561 N -3.59 0.50 0.25 4.82 1.02 0.26 -4.57 119.74 118.43 2j0k s LYS 561 Ca 0.31 -0.95 -0.12 0.00 0.02 0.00 0.00 55.97 55.24 2j0k s LYS 561 Cb -0.03 0.10 -0.08 0.00 -0.52 0.00 0.00 37.83 37.30 2j0k s LYS 561 CO 0.17 -0.07 0.61 -1.17 -0.92 0.00 0.00 175.35 173.98 2j0k s LEU 562 N -2.23 4.17 0.00 3.17 0.20 0.15 -2.04 118.68 122.10 2j0k s LEU 562 Ca -0.03 1.07 0.00 0.00 0.69 0.00 0.00 54.13 55.86 2j0k s LEU 562 Cb -0.01 -3.74 0.00 0.00 -0.43 0.00 0.00 46.19 42.01 2j0k s LEU 562 CO -0.05 -0.08 0.00 0.61 -0.29 0.00 0.00 176.35 176.53 2j0k n GLY 563 N -0.04 0.39 0.09 7.98 0.00 -0.36 -1.78 105.19 111.47 2j0k n GLY 563 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 2j0k n GLY 563 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2j0k h ASP 564 N 0.00 -0.09 -5.02 1.61 -0.00 -1.94 -3.45 116.42 107.52 2j0k h ASP 564 Ca 0.00 -0.12 -0.41 0.00 -0.00 0.00 0.00 57.03 56.50 2j0k h ASP 564 Cb 0.00 0.02 0.06 0.00 -0.00 0.00 0.00 39.33 39.42 2j0k h ASP 564 CO 0.00 0.45 -0.63 0.49 -0.00 0.00 0.00 179.24 179.55 2j0k n PHE 565 N -4.83 -2.22 -4.35 4.15 0.99 -1.26 -5.03 117.46 104.89 2j0k n PHE 565 Ca -0.03 0.67 -0.24 0.00 -0.00 0.00 0.00 57.45 57.85 2j0k n PHE 565 Cb 0.10 -4.50 -0.09 0.00 -1.00 0.00 0.00 39.48 34.00 2j0k n PHE 565 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 2j0k s GLY 566 N -2.90 1.74 0.00 1.37 0.00 -1.26 -4.70 107.32 101.57 2j0k s GLY 566 Ca 0.41 -1.67 0.00 0.00 0.00 0.00 0.00 44.72 43.46 2j0k s GLY 566 CO 0.51 -1.73 0.00 1.47 0.00 0.00 0.00 173.10 173.34 2j0k n LEU 567 N -0.51 0.00 -3.65 0.66 -0.00 -1.26 -5.11 117.00 107.13 2j0k n LEU 567 Ca -0.08 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.71 2j0k n LEU 567 Cb 0.58 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 44.04 2j0k n LEU 567 CO 0.38 0.00 -0.06 1.17 -0.00 0.00 0.00 177.39 178.88 2j0k n LYS 583 N 0.00 -4.18 -2.87 1.47 3.00 -1.26 -5.18 118.16 109.14 2j0k n LYS 583 Ca 0.00 0.62 -0.41 0.00 -0.00 0.00 0.00 58.31 58.53 2j0k n LYS 583 Cb 0.00 -5.10 -0.05 0.00 0.00 0.00 0.00 35.03 29.88 2j0k n LYS 583 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2j0k s LEU 584 N -6.52 4.45 -0.77 3.14 1.43 -1.26 -4.95 118.68 114.20 2j0k s LEU 584 Ca 0.11 1.57 -0.13 0.00 -1.03 0.00 0.00 54.13 54.65 2j0k s LEU 584 Cb -0.03 -3.38 -0.10 0.00 0.03 0.00 0.00 46.19 42.71 2j0k s LEU 584 CO 0.81 -0.05 1.94 -0.81 0.23 0.00 0.00 176.35 178.47 2j0k n PRO 585 N 2.99 1.64 -0.12 1.29 -0.04 -1.26 -4.77 135.00 134.74 2j0k n PRO 585 Ca 0.00 -1.54 -0.06 0.00 -0.04 0.00 0.00 63.50 61.87 2j0k n PRO 585 Cb 0.50 -2.61 0.01 0.00 -0.04 0.00 0.00 33.50 31.36 2j0k n PRO 585 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2j0k h ILE 586 N 3.95 0.41 0.00 0.52 1.08 -1.97 -2.61 117.51 118.88 2j0k h ILE 586 Ca 0.42 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.89 2j0k h ILE 586 Cb 0.37 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 34.53 2j0k h ILE 586 CO 1.65 0.00 0.07 0.11 -0.69 0.00 0.00 178.15 179.29 2j0k h LYS 587 N -0.13 0.00 -0.01 2.37 1.57 -1.95 0.29 116.57 118.70 2j0k h LYS 587 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2j0k h LYS 587 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2j0k h LYS 587 CO -0.48 0.00 -0.59 0.91 -0.57 0.00 0.00 179.45 178.72 2j0k n TRP 588 N -3.03 0.00 -2.98 -1.35 8.01 -0.99 -5.01 117.44 112.09 2j0k n TRP 588 Ca -0.03 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.80 2j0k n TRP 588 Cb 0.13 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.37 2j0k n TRP 588 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2j0k s MET 589 N -2.55 4.33 0.67 -0.99 -1.94 0.09 -3.94 119.30 114.97 2j0k s MET 589 Ca 0.16 1.01 -0.15 0.00 -1.71 0.00 0.00 55.69 55.00 2j0k s MET 589 Cb 0.17 -2.76 0.00 0.00 2.01 0.00 0.00 34.83 34.26 2j0k s MET 589 CO 0.63 0.30 1.11 0.00 -0.01 0.00 0.00 175.02 177.05 2j0k s ALA 590 N -1.65 2.45 0.25 3.03 0.00 -1.26 -4.91 121.76 119.66 2j0k s ALA 590 Ca 0.48 0.55 -0.04 0.00 0.00 0.00 0.00 51.96 52.95 2j0k s ALA 590 Cb -0.16 -3.32 0.30 0.00 0.00 0.00 0.00 23.12 19.93 2j0k s ALA 590 CO 0.21 -1.32 1.78 -1.35 0.00 0.00 0.00 175.76 175.08 2j0k h PRO 591 N -0.03 0.94 0.00 0.00 0.11 -1.97 -1.84 132.00 129.22 2j0k h PRO 591 Ca -0.47 -0.21 -0.00 0.00 0.11 0.00 0.00 66.00 65.44 2j0k h PRO 591 Cb 1.25 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2j0k h PRO 591 CO 0.54 0.84 -0.00 1.05 -0.21 0.00 0.00 178.00 180.21 2j0k h GLU 592 N 0.90 0.00 0.00 1.05 9.09 -1.90 0.21 114.58 123.93 2j0k h GLU 592 Ca 0.19 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.35 2j0k h GLU 592 Cb 0.33 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.45 2j0k h GLU 592 CO 0.00 0.00 -0.98 0.77 0.05 0.00 0.00 179.01 178.86 2j0k h SER 593 N 0.00 0.86 1.13 3.06 0.02 -1.43 0.25 113.55 117.44 2j0k h SER 593 Ca -0.00 -0.74 -0.07 0.00 -0.84 0.00 0.00 61.79 60.14 2j0k h SER 593 Cb 0.36 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2j0k h SER 593 CO 0.00 1.49 -0.32 0.40 -1.14 0.00 0.00 176.83 177.26 2j0k h ILE 594 N 0.31 0.67 0.00 3.27 2.04 -1.01 -2.95 117.51 119.85 2j0k h ILE 594 Ca -0.12 -1.51 -0.29 0.00 1.00 0.00 0.00 64.86 63.94 2j0k h ILE 594 Cb 1.64 2.00 -0.04 0.00 -0.74 0.00 0.00 36.82 39.68 2j0k h ILE 594 CO 0.19 0.32 -1.69 0.59 0.00 0.00 0.00 178.15 177.56 2j0k n ASN 595 N -3.35 1.90 -0.23 1.72 3.02 0.66 -4.53 115.26 114.45 2j0k n ASN 595 Ca 0.01 0.40 0.09 0.00 -0.03 0.00 0.00 54.58 55.05 2j0k n ASN 595 Cb 0.54 -0.89 0.15 0.00 -0.61 0.00 0.00 39.78 38.97 2j0k n ASN 595 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2j0k n PHE 596 N -4.38 0.19 -1.87 3.10 3.72 0.86 -4.45 117.46 114.63 2j0k n PHE 596 Ca -0.38 -0.93 -0.09 0.00 -0.05 0.00 0.00 57.45 56.01 2j0k n PHE 596 Cb 0.72 -0.17 -0.02 0.00 -0.94 0.00 0.00 39.48 39.07 2j0k n PHE 596 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2j0k n ARG 597 N -1.15 -1.84 -3.24 -1.08 1.74 -1.11 -4.90 116.66 105.09 2j0k n ARG 597 Ca 0.16 0.47 -0.39 0.00 -0.77 0.00 0.00 57.85 57.32 2j0k n ARG 597 Cb 0.65 -4.84 -0.06 0.00 -1.02 0.00 0.00 32.46 27.20 2j0k n ARG 597 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2j0k s ARG 598 N -3.91 4.27 -0.31 5.56 1.81 -1.12 -4.96 118.95 120.29 2j0k s ARG 598 Ca 0.00 0.72 -0.02 0.00 -1.72 0.00 0.00 55.73 54.71 2j0k s ARG 598 Cb 0.00 -3.30 0.11 0.00 -0.45 0.00 0.00 34.95 31.30 2j0k s ARG 598 CO 0.00 0.47 0.13 -0.06 -0.68 0.00 0.00 175.30 175.16 2j0k s PHE 599 N -0.53 1.05 0.46 -0.53 0.40 -1.26 -3.75 117.98 113.81 2j0k s PHE 599 Ca 0.30 -1.41 0.05 0.00 -0.60 0.00 0.00 56.93 55.27 2j0k s PHE 599 Cb -0.19 -1.31 -0.04 0.00 0.51 0.00 0.00 43.02 42.00 2j0k s PHE 599 CO 0.18 -0.85 0.10 0.95 0.70 0.00 0.00 175.22 176.30 2j0k s THR 600 N 1.69 1.78 0.26 0.64 -4.23 -1.26 -4.96 115.64 109.57 2j0k s THR 600 Ca 0.11 -1.85 -0.01 0.00 -1.18 0.00 0.00 61.69 58.75 2j0k s THR 600 Cb -0.18 -2.64 0.25 0.00 1.34 0.00 0.00 72.50 71.28 2j0k s THR 600 CO -0.26 0.00 1.70 0.28 -0.54 0.00 0.00 174.62 175.79 2j0k h SER 601 N 1.42 0.18 0.23 3.99 0.02 -1.97 -1.25 113.55 116.17 2j0k h SER 601 Ca -0.43 0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2j0k h SER 601 Cb 1.27 0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.97 2j0k h SER 601 CO 0.73 0.00 -0.02 0.00 -1.14 0.00 0.00 176.83 176.41 2j0k h ALA 602 N 1.64 1.11 0.16 3.77 0.00 -1.93 0.76 119.26 124.77 2j0k h ALA 602 Ca 0.47 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 55.06 2j0k h ALA 602 Cb 0.83 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.63 2j0k h ALA 602 CO -0.50 0.02 -1.43 0.66 0.00 0.00 0.00 179.25 177.99 2j0k h SER 603 N 0.00 0.54 -0.90 0.00 4.64 -1.62 -3.32 113.55 112.88 2j0k h SER 603 Ca -0.00 -0.64 0.10 0.00 -0.47 0.00 0.00 61.79 60.78 2j0k h SER 603 Cb 0.13 -0.18 -0.07 0.00 -0.31 0.00 0.00 62.40 61.97 2j0k h SER 603 CO 0.00 1.51 0.54 0.44 -0.87 0.00 0.00 176.83 178.46 2j0k h ASP 604 N 0.09 0.80 -0.57 4.97 3.45 -0.06 -2.94 116.42 122.16 2j0k h ASP 604 Ca -0.22 0.04 -0.06 0.00 0.43 0.00 0.00 57.03 57.23 2j0k h ASP 604 Cb 2.05 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 40.68 2j0k h ASP 604 CO 0.21 0.46 0.12 0.58 -1.57 0.00 0.00 179.24 179.04 2j0k h VAL 605 N 0.91 1.25 0.09 -1.35 2.07 -1.25 -1.10 116.25 116.87 2j0k h VAL 605 Ca 0.43 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 67.05 2j0k h VAL 605 Cb 0.36 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 2j0k h VAL 605 CO -0.24 0.34 -0.33 -0.25 0.02 0.00 0.00 177.57 177.11 2j0k h TRP 606 N 0.82 -0.90 -0.54 1.57 2.91 -1.62 -0.96 115.95 117.23 2j0k h TRP 606 Ca 0.18 0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.28 2j0k h TRP 606 Cb 0.37 0.38 -0.05 0.00 -0.51 0.00 0.00 29.16 29.35 2j0k h TRP 606 CO 0.03 -0.43 0.26 0.52 -1.03 0.00 0.00 178.44 177.79 2j0k h MET 607 N -0.54 0.48 -0.54 2.65 0.00 -1.36 0.39 114.93 116.01 2j0k h MET 607 Ca 0.04 -0.03 0.12 0.00 0.00 0.00 0.00 59.70 59.83 2j0k h MET 607 Cb 0.58 -0.11 -0.03 0.00 0.00 0.00 0.00 31.60 32.04 2j0k h MET 607 CO -0.21 0.32 0.38 0.35 0.00 0.00 0.00 176.91 177.75 2j0k h PHE 608 N 0.50 0.21 0.16 -0.22 3.04 -0.91 0.42 116.94 120.14 2j0k h PHE 608 Ca 0.25 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.20 2j0k h PHE 608 Cb 0.19 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 38.63 2j0k h PHE 608 CO -0.11 0.09 -0.08 0.78 -2.02 0.00 0.00 178.31 176.97 2j0k h GLY 609 N 0.19 -0.23 1.55 2.40 0.00 0.47 0.13 103.07 107.58 2j0k h GLY 609 Ca 0.26 0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.64 2j0k h GLY 609 CO -0.04 -0.08 0.12 -2.08 0.00 0.00 0.00 176.54 174.45 2j0k h VAL 610 N -0.31 1.17 -0.01 4.60 2.07 -0.47 -1.11 116.25 122.19 2j0k h VAL 610 Ca -0.02 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 2j0k h VAL 610 Cb 0.24 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2j0k h VAL 610 CO 0.04 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.85 2j0k h MET 612 N -0.14 0.74 0.45 0.00 2.86 -0.03 -0.85 114.93 117.95 2j0k h MET 612 Ca 0.00 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2j0k h MET 612 Cb 0.15 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 2j0k h MET 612 CO -0.00 0.49 -0.32 2.35 1.06 0.00 0.00 176.91 180.49 2j0k h TRP 613 N 0.76 -0.85 -0.77 -0.22 7.01 -0.92 -1.91 115.95 119.04 2j0k h TRP 613 Ca 0.45 -0.00 0.18 0.00 2.11 0.00 0.00 58.89 61.62 2j0k h TRP 613 Cb 0.52 0.31 -0.13 0.00 -2.10 0.00 0.00 29.16 27.76 2j0k h TRP 613 CO -0.06 -0.48 0.10 0.93 -2.79 0.00 0.00 178.44 176.15 2j0k h GLU 614 N -0.75 0.17 0.78 2.65 5.08 -0.39 0.43 114.58 122.55 2j0k h GLU 614 Ca -0.04 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2j0k h GLU 614 Cb 0.64 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2j0k h GLU 614 CO 0.02 0.11 -0.47 0.82 -1.00 0.00 0.00 179.01 178.49 2j0k h ILE 615 N 0.17 0.00 -0.14 3.13 2.04 -0.97 -0.51 117.51 121.22 2j0k h ILE 615 Ca 0.44 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.34 2j0k h ILE 615 Cb 0.80 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2j0k h ILE 615 CO -0.61 0.00 0.13 -0.07 0.00 0.00 0.00 178.15 177.59 2j0k h LEU 616 N -1.17 0.00 -2.02 1.44 -0.00 -0.46 0.22 115.31 113.32 2j0k h LEU 616 Ca -0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.76 2j0k h LEU 616 Cb 0.93 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.59 2j0k h LEU 616 CO 0.11 0.00 0.02 0.23 -0.00 0.00 0.00 178.44 178.80 2j0k n MET 617 N -4.12 2.41 -3.44 1.13 2.81 0.14 -4.89 117.12 111.17 2j0k n MET 617 Ca 0.01 -1.19 -0.25 0.00 -1.81 0.00 0.00 57.70 54.46 2j0k n MET 617 Cb 0.25 -1.77 0.00 0.00 -0.71 0.00 0.00 33.22 30.99 2j0k n MET 617 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2j0k n HIS 618 N 0.21 -1.87 -0.56 2.03 8.25 0.78 -2.53 115.22 121.53 2j0k n HIS 618 Ca 0.11 0.55 0.00 0.00 -0.26 0.00 0.00 57.72 58.12 2j0k n HIS 618 Cb 0.63 -3.26 0.00 0.00 1.12 0.00 0.00 29.99 28.48 2j0k n HIS 618 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2j0k n GLY 619 N -1.29 0.71 3.83 -1.41 0.00 -0.24 -2.82 105.19 103.98 2j0k n GLY 619 Ca -0.01 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 2j0k n GLY 619 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j0k s VAL 620 N -2.00 4.73 0.29 1.61 1.01 -1.05 -4.89 120.40 120.11 2j0k s VAL 620 Ca 0.00 1.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.69 2j0k s VAL 620 Cb 0.00 -3.76 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 2j0k s VAL 620 CO 0.00 0.17 1.08 -0.54 0.00 0.00 0.00 175.10 175.81 2j0k s LYS 621 N -2.12 4.58 0.46 2.72 1.02 -1.26 -4.64 119.74 120.51 2j0k s LYS 621 Ca 0.42 1.74 -0.24 0.00 0.02 0.00 0.00 55.97 57.91 2j0k s LYS 621 Cb -0.15 -3.10 -0.08 0.00 -0.52 0.00 0.00 37.83 33.99 2j0k s LYS 621 CO 0.20 0.18 1.36 -1.25 -0.92 0.00 0.00 175.35 174.91 2j0k s PRO 622 N -1.58 3.64 -0.86 -1.68 0.04 -1.26 -3.78 135.00 129.52 2j0k s PRO 622 Ca 0.46 2.25 -0.04 0.00 0.04 0.00 0.00 61.00 63.71 2j0k s PRO 622 Cb -0.30 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.67 2j0k s PRO 622 CO 0.38 -0.79 0.65 1.19 0.04 0.00 0.00 177.00 178.47 2j0k n PHE 623 N -0.32 -2.24 -2.25 0.56 3.01 -1.26 -4.94 117.46 110.03 2j0k n PHE 623 Ca 0.06 0.83 -0.41 0.00 1.01 0.00 0.00 57.45 58.94 2j0k n PHE 623 Cb 0.43 -3.18 -0.03 0.00 -0.01 0.00 0.00 39.48 36.69 2j0k n PHE 623 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 2j0k s GLN 624 N -4.69 4.43 -1.35 -1.08 -0.21 -1.25 -3.48 119.66 112.03 2j0k s GLN 624 Ca 0.08 2.04 0.00 0.00 0.02 0.00 0.00 55.36 57.49 2j0k s GLN 624 Cb -0.03 -3.16 0.00 0.00 1.00 0.00 0.00 33.01 30.81 2j0k s GLN 624 CO 0.86 -0.14 0.00 0.41 -2.12 0.00 0.00 175.29 174.30 2j0k n GLY 625 N 1.71 1.03 3.27 3.09 0.00 -1.26 -5.01 105.19 108.02 2j0k n GLY 625 Ca 0.03 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 2j0k n GLY 625 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j0k s VAL 626 N -2.54 2.46 0.65 1.61 1.01 -1.23 -5.13 120.40 117.23 2j0k s VAL 626 Ca 0.00 -0.87 -0.14 0.00 0.00 0.00 0.00 61.98 60.97 2j0k s VAL 626 Cb 0.00 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 2j0k s VAL 626 CO 0.00 0.54 1.07 -0.54 0.00 0.00 0.00 175.10 176.17 2j0k s LYS 627 N 0.43 3.04 0.34 2.72 1.02 -1.26 -4.93 119.74 121.10 2j0k s LYS 627 Ca -0.14 1.17 0.03 0.00 0.02 0.00 0.00 55.97 57.05 2j0k s LYS 627 Cb -0.17 -2.00 0.62 0.00 -0.52 0.00 0.00 37.83 35.77 2j0k s LYS 627 CO 0.06 -1.03 1.94 -0.91 -0.92 0.00 0.00 175.35 174.49 2j0k h ASN 628 N -0.05 0.62 -0.16 2.83 2.35 -2.00 -2.96 115.58 116.21 2j0k h ASN 628 Ca -0.46 -0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.15 2j0k h ASN 628 Cb 1.22 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.42 2j0k h ASN 628 CO 0.56 0.55 -0.16 0.78 -1.65 0.00 0.00 177.43 177.51 2j0k h ASN 629 N 0.69 0.55 -0.01 5.81 4.21 -1.99 -0.70 115.58 124.13 2j0k h ASN 629 Ca 0.17 -0.16 -0.12 0.00 1.21 0.00 0.00 56.30 57.40 2j0k h ASN 629 Cb 0.11 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.15 2j0k h ASN 629 CO -0.02 0.72 -0.36 0.44 -1.29 0.00 0.00 177.43 176.93 2j0k h ASP 630 N 0.51 0.52 0.39 5.81 3.45 -1.92 -0.93 116.42 124.25 2j0k h ASP 630 Ca 0.09 -0.21 -0.02 0.00 0.43 0.00 0.00 57.03 57.32 2j0k h ASP 630 Cb 0.56 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.19 2j0k h ASP 630 CO 0.04 0.84 -0.19 0.58 -1.57 0.00 0.00 179.24 178.94 2j0k h VAL 631 N 0.42 0.59 -0.86 -1.35 2.07 -1.33 0.37 116.25 116.16 2j0k h VAL 631 Ca 0.05 -0.42 0.09 0.00 0.82 0.00 0.00 66.70 67.24 2j0k h VAL 631 Cb 0.82 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.32 2j0k h VAL 631 CO 0.07 0.08 0.56 0.16 0.02 0.00 0.00 177.57 178.45 2j0k h ILE 632 N -0.78 0.97 -0.15 4.57 3.07 -1.17 0.11 117.51 124.13 2j0k h ILE 632 Ca -0.05 -0.29 0.00 0.00 1.55 0.00 0.00 64.86 66.07 2j0k h ILE 632 Cb 0.52 0.04 -0.01 0.00 -0.27 0.00 0.00 36.82 37.11 2j0k h ILE 632 CO 0.09 0.16 0.10 1.23 -1.05 0.00 0.00 178.15 178.68 2j0k h GLY 633 N 0.85 0.22 0.73 0.16 0.00 -0.85 -0.02 103.07 104.16 2j0k h GLY 633 Ca 0.40 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.62 2j0k h GLY 633 CO -0.16 0.08 -0.03 3.21 0.00 0.00 0.00 176.54 179.63 2j0k h ARG 634 N 0.21 0.24 -0.69 4.80 3.08 0.40 -1.47 114.38 120.95 2j0k h ARG 634 Ca 0.06 -0.09 0.14 0.00 0.07 0.00 0.00 59.98 60.16 2j0k h ARG 634 Cb -0.02 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 29.91 2j0k h ARG 634 CO -0.01 0.54 0.13 0.82 -1.07 0.00 0.00 179.97 180.38 2j0k h ILE 635 N -0.09 0.53 -0.05 2.04 1.08 -0.81 -0.62 117.51 119.60 2j0k h ILE 635 Ca 0.03 -0.08 -0.05 0.00 -0.39 0.00 0.00 64.86 64.37 2j0k h ILE 635 Cb 0.46 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 2j0k h ILE 635 CO 0.01 0.04 -0.20 -0.08 -0.69 0.00 0.00 178.15 177.24 2j0k h GLU 636 N 0.24 0.08 0.00 2.37 4.57 -0.77 -3.08 114.58 117.99 2j0k h GLU 636 Ca 0.38 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.48 2j0k h GLU 636 Cb 0.62 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 2j0k h GLU 636 CO -0.49 0.29 -0.87 -0.91 -1.18 0.00 0.00 179.01 175.85 2j0k h ASN 637 N 0.08 0.00 0.00 1.04 4.21 -0.07 -3.48 115.58 117.36 2j0k h ASN 637 Ca 0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.52 2j0k h ASN 637 Cb 0.41 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.61 2j0k h ASN 637 CO 0.03 0.22 0.00 0.61 -1.29 0.00 0.00 177.43 177.00 2j0k n GLY 638 N 1.23 1.21 3.76 2.83 0.00 -0.54 -5.10 105.19 108.59 2j0k n GLY 638 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2j0k n GLY 638 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j0k s GLU 639 N 0.00 4.19 0.45 1.61 8.01 -0.64 -4.98 118.70 127.35 2j0k s GLU 639 Ca 0.00 2.45 0.02 0.00 0.01 0.00 0.00 54.97 57.45 2j0k s GLU 639 Cb 0.00 -3.03 -0.01 0.00 -4.31 0.00 0.00 34.13 26.78 2j0k s GLU 639 CO 0.00 -0.47 0.07 0.54 0.01 0.00 0.00 175.26 175.41 2j0k n ARG 640 N 1.38 0.69 -2.57 1.61 5.12 -1.26 -4.03 116.66 117.61 2j0k n ARG 640 Ca 0.04 -3.52 -0.41 0.00 -1.93 0.00 0.00 57.85 52.03 2j0k n ARG 640 Cb 0.39 1.42 -0.04 0.00 -1.16 0.00 0.00 32.46 33.07 2j0k n ARG 640 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2j0k s LEU 641 N 0.00 4.51 0.76 0.55 1.43 -1.26 -5.02 118.68 119.65 2j0k s LEU 641 Ca 0.10 2.05 -0.11 0.00 -1.03 0.00 0.00 54.13 55.15 2j0k s LEU 641 Cb 0.01 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.67 2j0k s LEU 641 CO 0.07 -0.15 1.08 -2.16 0.23 0.00 0.00 176.35 175.42 2j0k s PRO 642 N -0.50 2.37 -0.05 1.29 0.04 -1.26 -4.97 135.00 131.93 2j0k s PRO 642 Ca 0.48 1.04 -0.30 0.00 0.04 0.00 0.00 61.00 62.26 2j0k s PRO 642 Cb -0.28 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 2j0k s PRO 642 CO 0.34 -1.53 1.74 1.41 0.04 0.00 0.00 177.00 179.01 2j0k s MET 643 N -4.97 4.12 0.41 4.56 -2.45 -1.26 -4.98 119.30 114.73 2j0k s MET 643 Ca 0.60 2.24 -0.27 0.00 -1.25 0.00 0.00 55.69 57.02 2j0k s MET 643 Cb -0.16 -4.04 -0.09 0.00 1.25 0.00 0.00 34.83 31.78 2j0k s MET 643 CO 0.56 -0.94 1.42 -1.25 1.05 0.00 0.00 175.02 175.85 2j0k s PRO 644 N 4.24 3.94 0.23 4.11 0.04 -1.26 -4.90 135.00 141.40 2j0k s PRO 644 Ca 0.77 2.41 -0.31 0.00 0.04 0.00 0.00 61.00 63.92 2j0k s PRO 644 Cb -0.35 -2.82 -0.15 0.00 0.04 0.00 0.00 34.50 31.23 2j0k s PRO 644 CO 0.32 -0.61 1.13 -0.35 0.04 0.00 0.00 177.00 177.53 2j0k n PRO 645 N 0.17 1.36 -0.60 0.56 -0.04 -1.26 -2.07 135.00 133.12 2j0k n PRO 645 Ca 0.03 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 2j0k n PRO 645 Cb 0.41 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 2j0k n PRO 645 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2j0k n ASN 646 N 1.70 0.00 -4.66 3.54 3.02 -1.26 -4.98 115.26 112.61 2j0k n ASN 646 Ca 0.12 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.24 2j0k n ASN 646 Cb 0.29 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.44 2j0k n ASN 646 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2j0k n PRO 648 N 6.25 1.35 0.24 0.00 -0.02 -1.26 -4.77 135.00 136.79 2j0k n PRO 648 Ca 0.12 0.49 0.16 0.00 -2.02 0.00 0.00 63.50 62.26 2j0k n PRO 648 Cb 0.46 -2.20 0.87 0.00 -0.02 0.00 0.00 33.50 32.61 2j0k n PRO 648 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2j0k h PRO 649 N 7.44 0.00 0.51 0.52 0.13 -1.99 -0.15 132.00 138.46 2j0k h PRO 649 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 2j0k h PRO 649 Cb 1.31 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.45 2j0k h PRO 649 CO 0.95 0.00 -0.25 1.79 -0.23 0.00 0.00 178.00 180.26 2j0k h THR 650 N 0.00 0.00 -0.79 1.56 1.35 -2.00 -2.76 112.91 110.26 2j0k h THR 650 Ca 0.00 -0.16 0.18 0.00 -0.55 0.00 0.00 66.41 65.88 2j0k h THR 650 Cb 0.01 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 66.29 2j0k h THR 650 CO 0.00 0.00 0.00 0.25 -0.25 0.00 0.00 175.52 175.52 2j0k h LEU 651 N -0.85 -0.37 -1.59 3.87 5.85 -1.40 0.46 115.31 121.28 2j0k h LEU 651 Ca -0.07 0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.92 2j0k h LEU 651 Cb 0.53 0.37 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 2j0k h LEU 651 CO 0.12 -0.20 0.37 0.22 -0.34 0.00 0.00 178.44 178.61 2j0k h TYR 652 N 0.09 0.50 -0.07 1.25 3.20 -1.45 -0.59 116.97 119.91 2j0k h TYR 652 Ca 0.44 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 62.17 2j0k h TYR 652 Cb 0.78 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 2j0k h TYR 652 CO -0.44 0.26 -0.61 0.66 -1.64 0.00 0.00 178.16 176.40 2j0k h SER 653 N 0.49 0.28 -0.47 -2.11 4.64 -0.62 -2.61 113.55 113.16 2j0k h SER 653 Ca 0.24 -0.16 0.02 0.00 -0.47 0.00 0.00 61.79 61.42 2j0k h SER 653 Cb 0.33 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.31 2j0k h SER 653 CO -0.07 0.82 0.28 0.25 -0.87 0.00 0.00 176.83 177.24 2j0k h LEU 654 N 0.18 0.44 -0.72 5.97 5.85 -0.50 0.69 115.31 127.22 2j0k h LEU 654 Ca -0.01 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.83 2j0k h LEU 654 Cb 1.12 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.98 2j0k h LEU 654 CO 0.10 0.32 0.32 0.24 -0.34 0.00 0.00 178.44 179.07 2j0k h MET 655 N 0.55 0.50 0.00 1.25 2.86 -0.93 -0.87 114.93 118.29 2j0k h MET 655 Ca 0.19 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.73 2j0k h MET 655 Cb 0.02 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 2j0k h MET 655 CO -0.09 0.33 -0.31 1.79 1.06 0.00 0.00 176.91 179.70 2j0k h THR 656 N 0.51 0.60 -0.11 2.22 1.35 -1.11 -2.21 112.91 114.16 2j0k h THR 656 Ca 0.38 -1.55 -0.10 0.00 -0.55 0.00 0.00 66.41 64.59 2j0k h THR 656 Cb 0.50 2.07 -0.01 0.00 -1.73 0.00 0.00 68.15 68.97 2j0k h THR 656 CO -0.34 0.30 -0.37 0.11 -0.25 0.00 0.00 175.52 174.97 2j0k h LYS 657 N 0.00 0.24 0.00 4.72 1.57 0.15 -2.32 116.57 120.92 2j0k h LYS 657 Ca -0.00 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 2j0k h LYS 657 Cb 1.04 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 2j0k h LYS 657 CO 0.04 0.58 -0.17 0.00 -0.57 0.00 0.00 179.45 179.32 2j0k n TRP 659 N -3.30 2.42 -2.03 0.00 8.01 -0.88 -3.83 117.44 117.83 2j0k n TRP 659 Ca 0.01 -1.26 -0.43 0.00 -1.31 0.00 0.00 57.50 54.51 2j0k n TRP 659 Cb 0.42 -0.71 -0.03 0.00 -2.01 0.00 0.00 31.31 28.99 2j0k n TRP 659 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2j0k s ALA 660 N -2.84 3.41 0.15 6.99 0.00 -1.19 -4.94 121.76 123.34 2j0k s ALA 660 Ca 0.51 0.72 -0.26 0.00 0.00 0.00 0.00 51.96 52.93 2j0k s ALA 660 Cb 0.41 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2j0k s ALA 660 CO 0.12 -1.73 1.59 -0.92 0.00 0.00 0.00 175.76 174.82 2j0k h TYR 661 N 10.41 -1.03 -2.43 0.00 5.03 -1.93 -3.33 116.97 123.70 2j0k h TYR 661 Ca -0.37 0.05 -0.58 0.00 2.58 0.00 0.00 58.73 60.42 2j0k h TYR 661 Cb 1.17 0.49 -0.02 0.00 1.55 0.00 0.00 36.73 39.92 2j0k h TYR 661 CO 0.90 -0.42 1.35 0.34 -1.32 0.00 0.00 178.16 179.01 2j0k s ASP 662 N -4.98 5.72 0.61 -2.11 3.68 -1.26 -4.86 116.67 113.46 2j0k s ASP 662 Ca -0.15 1.45 0.35 0.00 2.13 0.00 0.00 52.55 56.33 2j0k s ASP 662 Cb 0.11 -2.52 1.92 0.00 -1.45 0.00 0.00 42.92 40.98 2j0k s ASP 662 CO 0.66 -1.82 2.08 1.55 0.13 0.00 0.00 175.17 177.76 2j0k h PRO 663 N 13.72 0.00 0.00 4.34 0.13 -1.93 -1.83 132.00 146.43 2j0k h PRO 663 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2j0k h PRO 663 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2j0k h PRO 663 CO 1.02 0.00 -0.33 0.66 -0.23 0.00 0.00 178.00 179.11 2j0k h SER 664 N 0.00 0.00 0.12 1.44 4.64 -1.89 -3.03 113.55 114.83 2j0k h SER 664 Ca 0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2j0k h SER 664 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2j0k h SER 664 CO 0.00 0.03 -0.06 0.54 -0.87 0.00 0.00 176.83 176.47 2j0k n ARG 665 N -2.51 1.14 -2.73 4.77 1.74 -0.69 -4.89 116.66 113.50 2j0k n ARG 665 Ca 0.04 -0.48 -0.35 0.00 -0.77 0.00 0.00 57.85 56.29 2j0k n ARG 665 Cb 0.48 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.37 2j0k n ARG 665 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2j0k s ARG 666 N -2.19 4.24 0.84 5.56 0.52 -1.15 -4.90 118.95 121.88 2j0k s ARG 666 Ca 0.36 1.27 -0.13 0.00 -0.52 0.00 0.00 55.73 56.71 2j0k s ARG 666 Cb 0.21 -2.37 0.09 0.00 0.52 0.00 0.00 34.95 33.39 2j0k s ARG 666 CO 0.40 -0.03 1.08 -2.30 0.02 0.00 0.00 175.30 174.48 2j0k n PRO 667 N -0.31 -0.02 -1.70 3.54 -0.02 -1.26 -5.03 135.00 130.21 2j0k n PRO 667 Ca 0.06 0.07 -0.29 0.00 -2.02 0.00 0.00 63.50 61.32 2j0k n PRO 667 Cb 0.52 -2.34 0.10 0.00 -0.02 0.00 0.00 33.50 31.76 2j0k n PRO 667 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2j0k s ARG 668 N -4.13 1.77 0.10 -0.52 1.81 -1.26 -4.97 118.95 111.76 2j0k s ARG 668 Ca 0.70 0.31 -0.07 0.00 -1.72 0.00 0.00 55.73 54.95 2j0k s ARG 668 Cb -0.27 -1.91 -0.18 0.00 -0.45 0.00 0.00 34.95 32.13 2j0k s ARG 668 CO 0.54 -1.77 1.22 0.74 -0.68 0.00 0.00 175.30 175.36 2j0k h PHE 669 N -1.19 0.72 0.00 -0.53 0.04 -1.95 -2.77 116.94 111.25 2j0k h PHE 669 Ca -0.48 -0.43 -0.00 0.00 2.80 0.00 0.00 57.97 59.86 2j0k h PHE 669 Cb 1.31 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 39.39 2j0k h PHE 669 CO 0.35 1.27 -0.02 0.00 -0.60 0.00 0.00 178.31 179.31 2j0k h THR 670 N 0.22 0.21 0.08 -1.55 1.03 -1.91 -2.14 112.91 108.86 2j0k h THR 670 Ca -0.12 -0.15 -0.31 0.00 -0.01 0.00 0.00 66.41 65.82 2j0k h THR 670 Cb 1.74 1.12 -0.02 0.00 -1.07 0.00 0.00 68.15 69.91 2j0k h THR 670 CO 0.19 0.02 -1.68 -0.08 -0.01 0.00 0.00 175.52 173.96 2j0k h GLU 671 N 0.00 0.16 -0.08 0.00 4.57 -1.94 -3.11 114.58 114.18 2j0k h GLU 671 Ca -0.00 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 57.90 2j0k h GLU 671 Cb 0.12 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 2j0k h GLU 671 CO 0.00 1.13 -0.01 -0.07 -1.18 0.00 0.00 179.01 178.89 2j0k h LEU 672 N -0.38 0.10 0.05 1.64 3.38 -1.42 -1.43 115.31 117.25 2j0k h LEU 672 Ca -0.39 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 2j0k h LEU 672 Cb 1.73 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.46 2j0k h LEU 672 CO -0.03 0.13 -0.03 0.50 0.09 0.00 0.00 178.44 179.10 2j0k h LYS 673 N 0.11 -0.07 -0.99 1.13 3.64 -1.48 -1.71 116.57 117.21 2j0k h LYS 673 Ca 0.03 0.00 0.24 0.00 -1.27 0.00 0.00 60.65 59.65 2j0k h LYS 673 Cb 0.09 0.02 -0.18 0.00 -0.41 0.00 0.00 32.23 31.74 2j0k h LYS 673 CO 0.00 -0.04 -0.09 0.00 -2.27 0.00 0.00 179.45 177.04 2j0k h ALA 674 N -1.97 0.94 0.46 5.00 0.00 -1.44 -0.47 119.26 121.78 2j0k h ALA 674 Ca -0.01 0.36 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 2j0k h ALA 674 Cb 0.05 0.66 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2j0k h ALA 674 CO 0.01 -0.49 -0.22 1.96 0.00 0.00 0.00 179.25 180.51 2j0k h GLN 675 N 0.00 -0.60 -0.67 0.00 1.08 -1.26 -2.83 115.11 110.83 2j0k h GLN 675 Ca 0.54 0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.82 2j0k h GLN 675 Cb 1.01 0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 28.53 2j0k h GLN 675 CO -0.96 -0.35 0.44 -0.07 -0.95 0.00 0.00 178.83 176.94 2j0k h LEU 676 N -0.72 0.67 -0.21 1.46 3.38 -0.51 0.24 115.31 119.61 2j0k h LEU 676 Ca -0.06 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.94 2j0k h LEU 676 Cb 0.53 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 2j0k h LEU 676 CO 0.10 0.46 -0.48 -1.28 0.09 0.00 0.00 178.44 177.33 2j0k h SER 677 N 0.78 -1.54 -0.00 -0.43 0.87 -1.00 0.40 113.55 112.63 2j0k h SER 677 Ca 0.27 0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 61.03 2j0k h SER 677 Cb 0.10 0.63 -0.00 0.00 -0.44 0.00 0.00 62.40 62.69 2j0k h SER 677 CO -0.08 -0.44 -0.00 0.71 -0.53 0.00 0.00 176.83 176.50 2j0k h THR 678 N -0.49 1.29 -0.24 2.23 1.35 -0.94 -1.52 112.91 114.59 2j0k h THR 678 Ca 0.07 -0.85 0.07 0.00 -0.55 0.00 0.00 66.41 65.15 2j0k h THR 678 Cb 0.64 1.86 -0.01 0.00 -1.73 0.00 0.00 68.15 68.91 2j0k h THR 678 CO -0.47 0.22 0.39 0.40 -0.25 0.00 0.00 175.52 175.81 2j0k h ILE 679 N -0.35 0.24 0.00 6.82 2.04 -0.39 -0.26 117.51 125.61 2j0k h ILE 679 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 2j0k h ILE 679 Cb 0.36 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2j0k h ILE 679 CO 0.00 0.00 -0.07 0.25 0.00 0.00 0.00 178.15 178.33 2j0k h LEU 680 N 0.00 0.00 -0.91 1.44 5.85 0.16 -3.08 115.31 118.77 2j0k h LEU 680 Ca 0.11 -0.09 0.25 0.00 0.84 0.00 0.00 57.88 58.99 2j0k h LEU 680 Cb 0.88 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 41.75 2j0k h LEU 680 CO -0.00 0.58 0.11 -0.33 -0.34 0.00 0.00 178.44 178.46 2j0k h GLU 681 N -1.00 0.09 -0.83 1.25 4.39 -0.27 1.05 114.58 119.25 2j0k h GLU 681 Ca -0.00 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2j0k h GLU 681 Cb 0.15 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 2j0k h GLU 681 CO -0.00 0.06 0.46 1.49 -1.16 0.00 0.00 179.01 179.85 2j0k h GLU 682 N 0.09 1.15 -0.07 2.33 4.57 -1.24 -2.39 114.58 119.02 2j0k h GLU 682 Ca 0.56 -0.13 -0.14 0.00 -1.18 0.00 0.00 59.36 58.47 2j0k h GLU 682 Cb 1.15 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.50 2j0k h GLU 682 CO -0.78 0.84 -0.57 1.49 -1.18 0.00 0.00 179.01 178.81 2j0k h GLU 683 N 1.16 0.23 -0.41 1.92 4.57 0.10 -3.09 114.58 119.06 2j0k h GLU 683 Ca 0.29 -0.15 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 2j0k h GLU 683 Cb 0.02 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 2j0k h GLU 683 CO -0.05 0.74 0.21 0.87 -1.18 0.00 0.00 179.01 179.59 2j0k h LYS 684 N 0.18 0.59 0.00 1.92 1.57 0.05 -1.97 116.57 118.91 2j0k h LYS 684 Ca -0.00 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2j0k h LYS 684 Cb 1.05 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.25 2j0k h LYS 684 CO 0.09 0.50 0.00 1.28 -0.57 0.00 0.00 179.45 180.75 2j0k n LEU 685 N -4.69 0.00 0.00 2.94 4.77 -1.05 -5.11 117.00 113.86 2j0k n LEU 685 Ca 0.00 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 2j0k n LEU 685 Cb 0.10 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 2j0k n LEU 685 CO 0.36 -0.11 0.00 0.00 -1.33 0.00 0.00 177.39 176.32