#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkj s ASN 2 N 0.00 6.76 0.25 3.17 0.02 -1.26 0.27 114.94 124.15 1jkj s ASN 2 Ca 0.00 1.25 0.10 0.00 -1.02 0.00 0.00 52.86 53.19 1jkj s ASN 2 Cb 0.00 -2.36 -0.04 0.00 0.02 0.00 0.00 41.25 38.87 1jkj s ASN 2 CO 0.00 -0.20 -0.05 -0.76 0.02 0.00 0.00 177.10 176.12 1jkj s LEU 3 N -2.97 3.07 0.66 0.60 1.43 -0.94 -4.71 118.68 115.82 1jkj s LEU 3 Ca 0.54 -0.69 -0.11 0.00 -1.03 0.00 0.00 54.13 52.84 1jkj s LEU 3 Cb -0.10 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 1jkj s LEU 3 CO 0.18 0.03 1.05 -1.00 0.23 0.00 0.00 176.35 176.83 1jkj s HIS 4 N -2.24 3.34 0.24 0.29 3.76 -1.26 -4.60 115.29 114.83 1jkj s HIS 4 Ca 0.30 1.37 -0.05 0.00 -0.15 0.00 0.00 55.06 56.53 1jkj s HIS 4 Cb -0.07 -2.81 0.36 0.00 1.11 0.00 0.00 32.58 31.17 1jkj s HIS 4 CO 0.18 -0.98 1.84 1.49 -0.85 0.00 0.00 174.74 176.42 1jkj h GLU 5 N -0.51 0.91 0.00 1.40 4.81 -1.86 0.14 114.58 119.48 1jkj h GLU 5 Ca -0.44 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.68 1jkj h GLU 5 Cb 1.20 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1jkj h GLU 5 CO 0.59 0.60 -0.27 0.10 -0.73 0.00 0.00 179.01 179.31 1jkj h TYR 6 N 0.94 0.00 0.07 0.92 -0.00 -1.92 -0.09 116.97 116.88 1jkj h TYR 6 Ca 0.38 0.00 -0.26 0.00 0.00 0.00 0.00 58.73 58.86 1jkj h TYR 6 Cb 0.22 0.00 0.01 0.00 0.00 0.00 0.00 36.73 36.96 1jkj h TYR 6 CO -0.04 0.27 -1.10 1.96 -0.00 0.00 0.00 178.16 179.25 1jkj h GLN 7 N 0.00 0.41 -0.72 0.10 4.20 -1.59 -1.43 115.11 116.08 1jkj h GLN 7 Ca -0.00 -0.53 -0.06 0.00 0.06 0.00 0.00 58.65 58.11 1jkj h GLN 7 Cb 0.50 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 1jkj h GLN 7 CO 0.03 1.20 0.20 0.00 -0.67 0.00 0.00 178.83 179.59 1jkj h ALA 8 N 0.60 0.99 -0.36 3.87 0.00 0.27 -1.47 119.26 123.16 1jkj h ALA 8 Ca -0.12 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1jkj h ALA 8 Cb 1.77 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1jkj h ALA 8 CO 0.19 0.66 -0.22 0.87 0.00 0.00 0.00 179.25 180.75 1jkj h LYS 9 N 1.08 0.71 -0.31 0.00 1.57 -0.99 0.15 116.57 118.78 1jkj h LYS 9 Ca 0.23 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1jkj h LYS 9 Cb 0.34 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1jkj h LYS 9 CO -0.00 0.87 0.10 1.96 -0.57 0.00 0.00 179.45 181.81 1jkj h GLN 10 N 0.62 0.47 -0.50 3.15 4.20 -0.93 -0.77 115.11 121.36 1jkj h GLN 10 Ca 0.09 -0.10 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1jkj h GLN 10 Cb 0.71 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.37 1jkj h GLN 10 CO 0.05 0.51 0.22 -0.07 -0.67 0.00 0.00 178.83 178.87 1jkj h LEU 11 N 0.34 0.29 -0.63 1.46 3.38 -0.91 -0.63 115.31 118.61 1jkj h LEU 11 Ca 0.10 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.16 1jkj h LEU 11 Cb 0.23 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 1jkj h LEU 11 CO -0.00 0.20 0.35 -0.26 0.09 0.00 0.00 178.44 178.81 1jkj h PHE 12 N 0.43 0.64 -0.95 1.13 0.04 -0.38 -1.23 116.94 116.62 1jkj h PHE 12 Ca 0.23 0.02 0.01 0.00 2.80 0.00 0.00 57.97 61.03 1jkj h PHE 12 Cb 0.18 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 38.09 1jkj h PHE 12 CO -0.13 0.31 0.63 0.00 -0.60 0.00 0.00 178.31 178.53 1jkj h ALA 13 N 1.32 1.20 0.00 2.45 0.00 -0.62 0.13 119.26 123.75 1jkj h ALA 13 Ca 0.28 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1jkj h ALA 13 Cb 0.16 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1jkj h ALA 13 CO -0.17 0.60 -0.06 0.00 0.00 0.00 0.00 179.25 179.62 1jkj h ARG 14 N 1.29 0.00 -0.52 0.00 3.08 0.07 -1.55 114.38 116.75 1jkj h ARG 14 Ca 0.35 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.32 1jkj h ARG 14 Cb -0.15 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 29.86 1jkj h ARG 14 CO -0.08 0.06 0.08 0.66 -1.07 0.00 0.00 179.97 179.62 1jkj n TYR 15 N -3.43 1.80 -1.15 3.04 4.02 -0.42 -4.93 117.16 116.08 1jkj n TYR 15 Ca -0.02 -0.99 -0.05 0.00 -0.01 0.00 0.00 57.90 56.83 1jkj n TYR 15 Cb 0.19 -0.51 -0.02 0.00 -0.02 0.00 0.00 39.34 38.98 1jkj n TYR 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jkj n GLY 16 N -0.09 0.58 3.84 2.72 0.00 -0.58 -4.90 105.19 106.75 1jkj n GLY 16 Ca 0.30 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 1jkj n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jkj s LEU 17 N -1.17 3.94 -0.04 0.99 1.43 0.31 -4.98 118.68 119.16 1jkj s LEU 17 Ca 0.00 1.50 -0.15 0.00 -1.03 0.00 0.00 54.13 54.45 1jkj s LEU 17 Cb 0.00 -4.34 -0.05 0.00 0.03 0.00 0.00 46.19 41.82 1jkj s LEU 17 CO 0.00 -0.33 0.40 -2.16 0.23 0.00 0.00 176.35 174.49 1jkj s PRO 18 N -3.25 4.01 0.09 1.29 0.04 -1.26 -3.88 135.00 132.05 1jkj s PRO 18 Ca 0.58 0.37 -0.07 0.00 0.04 0.00 0.00 61.00 61.92 1jkj s PRO 18 Cb -0.10 -3.28 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 1jkj s PRO 18 CO 0.18 0.55 0.16 0.00 0.04 0.00 0.00 177.00 177.93 1jkj s ALA 19 N -0.62 -0.00 0.54 8.56 0.00 -1.26 -0.45 121.76 128.52 1jkj s ALA 19 Ca 0.23 -0.81 -0.21 0.00 0.00 0.00 0.00 51.96 51.17 1jkj s ALA 19 Cb -0.16 0.52 -0.05 0.00 0.00 0.00 0.00 23.12 23.43 1jkj s ALA 19 CO 0.12 -0.50 1.25 -2.14 0.00 0.00 0.00 175.76 174.48 1jkj s PRO 20 N -3.90 3.25 0.27 0.00 0.02 -1.26 -4.92 135.00 128.47 1jkj s PRO 20 Ca 0.08 1.96 -0.31 0.00 0.02 0.00 0.00 61.00 62.75 1jkj s PRO 20 Cb 0.05 -2.18 -0.12 0.00 0.02 0.00 0.00 34.50 32.28 1jkj s PRO 20 CO -0.09 -1.01 1.65 0.08 -0.33 0.00 0.00 177.00 177.30 1jkj s VAL 21 N -1.47 2.01 0.11 3.83 1.01 -1.26 -4.80 120.40 119.83 1jkj s VAL 21 Ca 0.71 0.01 -0.26 0.00 0.00 0.00 0.00 61.98 62.44 1jkj s VAL 21 Cb -0.33 -3.01 0.07 0.00 0.00 0.00 0.00 36.38 33.11 1jkj s VAL 21 CO 0.39 0.00 0.96 -0.83 0.00 0.00 0.00 175.10 175.62 1jkj s GLY 22 N 0.73 -0.29 -0.01 4.51 0.00 -1.26 -0.04 107.32 110.96 1jkj s GLY 22 Ca 0.67 0.34 0.01 0.00 0.00 0.00 0.00 44.72 45.74 1jkj s GLY 22 CO 0.43 0.08 -0.01 -0.19 0.00 0.00 0.00 173.10 173.41 1jkj s TYR 23 N -3.22 0.21 -0.10 1.90 1.51 0.11 -4.96 117.35 112.81 1jkj s TYR 23 Ca 0.11 -0.01 -0.19 0.00 -1.01 0.00 0.00 57.07 55.97 1jkj s TYR 23 Cb -0.01 -0.23 -0.04 0.00 -0.11 0.00 0.00 41.96 41.57 1jkj s TYR 23 CO -0.00 -0.06 0.53 0.00 -1.11 0.00 0.00 175.55 174.92 1jkj s ALA 24 N 0.43 3.44 -0.02 3.71 0.00 -1.26 -0.49 121.76 127.57 1jkj s ALA 24 Ca -0.04 -0.10 0.05 0.00 0.00 0.00 0.00 51.96 51.87 1jkj s ALA 24 Cb -0.07 -2.72 -0.01 0.00 0.00 0.00 0.00 23.12 20.32 1jkj s ALA 24 CO -0.01 -0.01 -0.17 0.00 0.00 0.00 0.00 175.76 175.57 1jkj n THR 26 N 2.76 0.00 -4.09 0.00 -2.24 -1.26 -0.68 114.28 108.77 1jkj n THR 26 Ca -0.15 -0.32 -0.08 0.00 -2.27 0.00 0.00 64.05 61.22 1jkj n THR 26 Cb 0.54 1.19 -0.10 0.00 -2.10 0.00 0.00 70.33 69.86 1jkj n THR 26 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1jkj s THR 27 N -1.94 0.31 0.38 4.28 -4.23 -1.26 -4.92 115.64 108.25 1jkj s THR 27 Ca 0.13 -1.69 0.08 0.00 -1.18 0.00 0.00 61.69 59.03 1jkj s THR 27 Cb 0.13 -1.35 0.18 0.00 1.34 0.00 0.00 72.50 72.80 1jkj s THR 27 CO 0.42 -0.89 1.93 -0.65 -0.54 0.00 0.00 174.62 174.89 1jkj h PRO 28 N 3.36 0.38 -0.65 3.99 0.11 -1.90 -1.75 132.00 135.54 1jkj h PRO 28 Ca -0.34 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1jkj h PRO 28 Cb 1.16 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1jkj h PRO 28 CO 0.62 0.42 0.41 -0.09 -0.21 0.00 0.00 178.00 179.15 1jkj h ARG 29 N 0.37 0.87 -0.47 1.05 2.43 -1.96 0.43 114.38 117.11 1jkj h ARG 29 Ca 0.08 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 1jkj h ARG 29 Cb 0.28 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1jkj h ARG 29 CO 0.01 0.60 -0.18 0.93 -1.51 0.00 0.00 179.97 179.82 1jkj h GLU 30 N 0.88 0.95 -0.54 0.20 5.08 -1.81 -0.75 114.58 118.60 1jkj h GLU 30 Ca 0.24 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1jkj h GLU 30 Cb -0.06 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1jkj h GLU 30 CO -0.05 1.06 0.31 0.00 -1.00 0.00 0.00 179.01 179.33 1jkj h ALA 31 N 0.86 0.68 -0.07 3.43 0.00 -0.73 -0.79 119.26 122.64 1jkj h ALA 31 Ca 0.11 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1jkj h ALA 31 Cb 0.76 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1jkj h ALA 31 CO 0.06 0.19 -0.57 1.05 0.00 0.00 0.00 179.25 179.98 1jkj h GLU 32 N 0.72 0.21 0.00 0.00 4.11 0.03 -2.60 114.58 117.05 1jkj h GLU 32 Ca 0.19 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 59.48 1jkj h GLU 32 Cb 0.02 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1jkj h GLU 32 CO -0.03 0.72 0.00 0.93 0.07 0.00 0.00 179.01 180.70 1jkj h GLU 33 N 0.16 0.00 -0.01 1.06 5.08 -0.69 -2.27 114.58 117.91 1jkj h GLU 33 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1jkj h GLU 33 Cb 1.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1jkj h GLU 33 CO 0.09 0.00 -0.27 0.00 -1.00 0.00 0.00 179.01 177.82 1jkj h ALA 34 N 2.00 1.53 -0.11 3.43 0.00 -0.74 -3.15 119.26 122.22 1jkj h ALA 34 Ca 0.00 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.69 1jkj h ALA 34 Cb 0.57 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1jkj h ALA 34 CO 0.00 0.36 -0.43 0.00 0.00 0.00 0.00 179.25 179.17 1jkj h ALA 35 N 1.71 -0.63 0.00 0.00 0.00 -1.48 0.30 119.26 119.16 1jkj h ALA 35 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1jkj h ALA 35 Cb 0.50 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1jkj h ALA 35 CO 0.04 -0.95 -0.42 0.77 0.00 0.00 0.00 179.25 178.69 1jkj h SER 36 N -0.51 0.00 -0.14 0.00 0.02 -1.74 -0.16 113.55 111.02 1jkj h SER 36 Ca 0.07 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 1jkj h SER 36 Cb 0.64 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 1jkj h SER 36 CO -0.39 0.42 -0.20 0.11 -1.14 0.00 0.00 176.83 175.64 1jkj h LYS 37 N 0.00 0.55 -0.00 3.45 1.57 -1.33 -3.09 116.57 117.72 1jkj h LYS 37 Ca -0.00 -0.19 -0.19 0.00 -1.87 0.00 0.00 60.65 58.39 1jkj h LYS 37 Cb 0.91 -0.04 0.02 0.00 0.08 0.00 0.00 32.23 33.20 1jkj h LYS 37 CO 0.06 0.72 -0.75 0.82 -0.57 0.00 0.00 179.45 179.72 1jkj h ILE 38 N 0.50 1.38 0.00 1.86 2.04 0.40 -3.50 117.51 120.18 1jkj h ILE 38 Ca 0.08 -2.14 0.00 0.00 1.00 0.00 0.00 64.86 63.80 1jkj h ILE 38 Cb 0.62 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 1jkj h ILE 38 CO 0.04 0.64 0.00 0.61 0.00 0.00 0.00 178.15 179.44 1jkj n GLY 39 N 1.08 0.58 3.75 5.37 0.00 -0.15 -4.99 105.19 110.83 1jkj n GLY 39 Ca -0.11 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 1jkj n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jkj n ALA 40 N -1.00 2.31 -1.01 4.61 0.00 -1.26 -4.54 120.51 119.63 1jkj n ALA 40 Ca 0.00 0.36 -0.00 0.00 0.00 0.00 0.00 53.44 53.80 1jkj n ALA 40 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.03 1jkj n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jkj n GLY 41 N 1.24 -1.94 3.76 0.00 0.00 -1.26 -4.84 105.19 102.15 1jkj n GLY 41 Ca 0.05 -1.53 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 1jkj n GLY 41 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jkj s PRO 42 N -3.04 -0.37 0.05 1.61 0.04 -1.26 -4.99 135.00 127.04 1jkj s PRO 42 Ca 0.01 -0.26 0.05 0.00 0.04 0.00 0.00 61.00 60.85 1jkj s PRO 42 Cb -0.00 -1.71 -0.03 0.00 0.04 0.00 0.00 34.50 32.80 1jkj s PRO 42 CO 0.01 -3.12 -0.15 -1.58 0.04 0.00 0.00 177.00 172.20 1jkj s TRP 43 N -3.45 1.31 -0.13 0.56 0.51 0.22 -3.38 118.94 114.58 1jkj s TRP 43 Ca 0.73 -0.39 -0.15 0.00 -2.12 0.00 0.00 56.10 54.17 1jkj s TRP 43 Cb -0.06 -0.76 -0.05 0.00 -0.81 0.00 0.00 33.47 31.79 1jkj s TRP 43 CO 0.55 0.06 0.34 0.08 -0.51 0.00 0.00 176.95 177.46 1jkj s VAL 44 N -1.00 5.26 -0.08 4.03 1.01 -0.17 -0.02 120.40 129.43 1jkj s VAL 44 Ca 0.01 0.65 0.04 0.00 0.00 0.00 0.00 61.98 62.69 1jkj s VAL 44 Cb -0.09 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 1jkj s VAL 44 CO 0.02 0.41 -0.23 0.68 0.00 0.00 0.00 175.10 175.98 1jkj s VAL 45 N 0.26 2.21 -0.04 2.92 -7.23 0.73 -0.90 120.40 118.35 1jkj s VAL 45 Ca 0.19 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.38 1jkj s VAL 45 Cb -0.14 -1.84 0.02 0.00 0.56 0.00 0.00 36.38 34.99 1jkj s VAL 45 CO 0.06 0.56 -0.02 -0.54 -0.31 0.00 0.00 175.10 174.85 1jkj s LYS 46 N 0.10 0.59 0.29 4.82 1.02 0.11 -1.53 119.74 125.14 1jkj s LYS 46 Ca -0.11 -0.00 -0.29 0.00 0.02 0.00 0.00 55.97 55.59 1jkj s LYS 46 Cb -0.16 -0.73 -0.10 0.00 -0.52 0.00 0.00 37.83 36.32 1jkj s LYS 46 CO 0.06 -0.14 1.40 0.00 -0.92 0.00 0.00 175.35 175.75 1jkj s GLN 48 N -1.06 2.99 0.03 0.00 -1.52 0.04 -4.84 119.66 115.31 1jkj s GLN 48 Ca 0.55 -1.09 -0.01 0.00 -1.95 0.00 0.00 55.36 52.86 1jkj s GLN 48 Cb -0.41 -4.03 -0.02 0.00 -0.22 0.00 0.00 33.01 28.32 1jkj s GLN 48 CO 0.49 -0.87 -0.01 0.14 -0.25 0.00 0.00 175.29 174.79 1jkj s VAL 49 N 1.76 0.14 0.24 1.09 -7.23 -1.26 -4.41 120.40 110.73 1jkj s VAL 49 Ca 0.06 -1.13 -0.04 0.00 -1.81 0.00 0.00 61.98 59.06 1jkj s VAL 49 Cb -0.20 -0.62 0.13 0.00 0.56 0.00 0.00 36.38 36.24 1jkj s VAL 49 CO 0.09 -0.62 1.76 0.45 -0.31 0.00 0.00 175.10 176.47 1jkj h HIS 50 N 4.19 0.98 -4.23 2.82 3.86 -1.92 -3.45 115.15 117.40 1jkj h HIS 50 Ca -0.32 -0.12 -0.52 0.00 -1.16 0.00 0.00 60.37 58.25 1jkj h HIS 50 Cb 1.19 -0.28 0.16 0.00 1.06 0.00 0.00 27.41 29.54 1jkj h HIS 50 CO 0.62 0.84 0.33 0.00 0.86 0.00 0.00 177.93 180.57 1jkj s ALA 51 N -5.17 1.99 0.71 2.45 0.00 -1.26 -5.01 121.76 115.47 1jkj s ALA 51 Ca -0.10 0.66 0.01 0.00 0.00 0.00 0.00 51.96 52.52 1jkj s ALA 51 Cb 0.15 -3.41 0.13 0.00 0.00 0.00 0.00 23.12 19.98 1jkj s ALA 51 CO 0.82 -2.05 0.97 0.20 0.00 0.00 0.00 175.76 175.70 1jkj s GLY 52 N -2.51 1.75 -0.20 0.00 0.00 -1.26 -4.56 107.32 100.53 1jkj s GLY 52 Ca 0.69 -1.86 0.00 0.00 0.00 0.00 0.00 44.72 43.55 1jkj s GLY 52 CO 0.50 -1.29 0.00 0.61 0.00 0.00 0.00 173.10 172.92 1jkj n GLY 53 N -2.76 0.44 0.19 0.20 0.00 -1.26 -4.16 105.19 97.84 1jkj n GLY 53 Ca 0.16 -0.92 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 1jkj n GLY 53 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1jkj h ARG 54 N 0.00 0.28 0.87 1.61 3.08 -1.95 -2.69 114.38 115.58 1jkj h ARG 54 Ca -0.05 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 1jkj h ARG 54 Cb 0.50 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.57 1jkj h ARG 54 CO 0.06 0.73 -0.42 0.78 -1.07 0.00 0.00 179.97 180.05 1jkj h GLY 55 N 1.31 -1.22 1.38 0.04 0.00 -1.89 0.39 103.07 103.08 1jkj h GLY 55 Ca 0.01 0.45 0.06 0.00 0.00 0.00 0.00 47.33 47.85 1jkj h GLY 55 CO 0.08 -0.44 0.25 0.50 0.00 0.00 0.00 176.54 176.93 1jkj h LYS 56 N -1.26 0.00 -0.19 4.80 1.57 -1.94 0.35 116.57 119.90 1jkj h LYS 56 Ca -0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1jkj h LYS 56 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1jkj h LYS 56 CO 0.20 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.08 1jkj n ALA 57 N -2.29 2.51 -0.56 3.86 0.00 -0.96 -4.92 120.51 118.15 1jkj n ALA 57 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1jkj n ALA 57 Cb 0.38 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1jkj n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jkj n GLY 58 N 1.18 0.75 0.45 0.00 0.00 0.11 -4.92 105.19 102.76 1jkj n GLY 58 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 1jkj n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jkj n GLY 59 N -2.31 0.09 2.73 -0.02 0.00 0.13 -4.71 105.19 101.09 1jkj n GLY 59 Ca 0.00 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 1jkj n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jkj s VAL 60 N -1.75 0.12 0.01 1.61 1.01 -1.25 -0.51 120.40 119.64 1jkj s VAL 60 Ca 0.25 0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.46 1jkj s VAL 60 Cb 0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 36.18 1jkj s VAL 60 CO 0.19 0.21 0.05 -0.54 0.00 0.00 0.00 175.10 175.02 1jkj s LYS 61 N 1.98 0.35 -0.27 2.72 1.02 -0.59 -4.88 119.74 120.07 1jkj s LYS 61 Ca 0.04 -0.41 -0.09 0.00 0.02 0.00 0.00 55.97 55.52 1jkj s LYS 61 Cb -0.12 0.14 -0.04 0.00 -0.52 0.00 0.00 37.83 37.29 1jkj s LYS 61 CO -0.04 -0.07 0.14 0.08 -0.92 0.00 0.00 175.35 174.54 1jkj s VAL 62 N -1.20 4.88 0.36 3.17 1.01 -1.26 -0.19 120.40 127.17 1jkj s VAL 62 Ca -0.13 0.00 0.09 0.00 0.00 0.00 0.00 61.98 61.94 1jkj s VAL 62 Cb -0.08 -3.32 -0.07 0.00 0.00 0.00 0.00 36.38 32.92 1jkj s VAL 62 CO 0.00 0.28 -0.06 0.68 0.00 0.00 0.00 175.10 176.00 1jkj s VAL 63 N 1.70 2.23 -0.07 2.92 -7.23 0.98 -4.91 120.40 116.02 1jkj s VAL 63 Ca 0.07 -2.13 0.11 0.00 -1.81 0.00 0.00 61.98 58.22 1jkj s VAL 63 Cb -0.16 -2.75 0.18 0.00 0.56 0.00 0.00 36.38 34.21 1jkj s VAL 63 CO 0.08 -0.15 1.09 -0.46 -0.31 0.00 0.00 175.10 175.34 1jkj n ASN 64 N -0.86 1.22 -3.85 4.85 0.23 -1.26 0.70 115.26 116.29 1jkj n ASN 64 Ca -0.05 -2.60 -0.12 0.00 -0.53 0.00 0.00 54.58 51.29 1jkj n ASN 64 Cb 0.64 -0.33 -0.10 0.00 -2.08 0.00 0.00 39.78 37.91 1jkj n ASN 64 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1jkj s SER 65 N -2.03 -0.03 0.42 0.53 1.04 -1.26 -4.91 113.70 107.45 1jkj s SER 65 Ca 0.18 -0.06 0.09 0.00 0.48 0.00 0.00 55.95 56.64 1jkj s SER 65 Cb 0.17 0.25 0.91 0.00 0.10 0.00 0.00 66.02 67.44 1jkj s SER 65 CO 0.00 -0.30 2.04 0.11 0.98 0.00 0.00 173.24 176.07 1jkj h LYS 66 N 4.64 0.50 -0.68 4.02 1.57 -1.97 -1.29 116.57 123.36 1jkj h LYS 66 Ca -0.29 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 1jkj h LYS 66 Cb 1.19 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.36 1jkj h LYS 66 CO 0.40 0.33 0.36 0.93 -0.57 0.00 0.00 179.45 180.90 1jkj h GLU 67 N 0.51 0.96 -0.23 3.15 3.07 -1.97 -1.18 114.58 118.90 1jkj h GLU 67 Ca 0.18 -0.12 -0.13 0.00 -0.50 0.00 0.00 59.36 58.79 1jkj h GLU 67 Cb 0.10 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 1jkj h GLU 67 CO -0.05 0.74 -0.40 -0.44 -1.40 0.00 0.00 179.01 177.46 1jkj h ASP 68 N 0.94 0.56 0.17 1.42 3.32 -1.67 -0.98 116.42 120.17 1jkj h ASP 68 Ca 0.24 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1jkj h ASP 68 Cb 0.07 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1jkj h ASP 68 CO -0.04 0.90 -0.08 0.40 -1.72 0.00 0.00 179.24 178.71 1jkj h ILE 69 N 0.44 0.88 -0.79 0.35 2.04 -0.92 -0.88 117.51 118.63 1jkj h ILE 69 Ca 0.04 -0.20 0.06 0.00 1.00 0.00 0.00 64.86 65.76 1jkj h ILE 69 Cb 0.89 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.92 1jkj h ILE 69 CO 0.08 0.05 0.48 -0.09 0.00 0.00 0.00 178.15 178.66 1jkj h ARG 70 N -0.32 0.85 -0.43 2.37 2.43 -1.12 0.38 114.38 118.54 1jkj h ARG 70 Ca -0.02 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1jkj h ARG 70 Cb 0.25 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1jkj h ARG 70 CO 0.04 0.56 0.18 0.00 -1.51 0.00 0.00 179.97 179.24 1jkj h ALA 71 N 1.38 0.55 -0.30 2.80 0.00 -1.03 0.27 119.26 122.93 1jkj h ALA 71 Ca 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1jkj h ALA 71 Cb 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1jkj h ALA 71 CO -0.17 0.15 0.20 0.35 0.00 0.00 0.00 179.25 179.78 1jkj h PHE 72 N 0.55 0.38 -0.69 0.00 3.57 -0.53 0.55 116.94 120.76 1jkj h PHE 72 Ca 0.14 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 1jkj h PHE 72 Cb 0.18 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1jkj h PHE 72 CO -0.00 0.24 0.36 0.00 -2.23 0.00 0.00 178.31 176.68 1jkj h ALA 73 N 1.11 0.89 -0.48 2.41 0.00 -0.53 -0.09 119.26 122.58 1jkj h ALA 73 Ca 0.11 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1jkj h ALA 73 Cb -0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1jkj h ALA 73 CO -0.03 0.42 -0.08 0.93 0.00 0.00 0.00 179.25 180.49 1jkj h GLU 74 N 0.96 0.86 -0.48 0.00 5.08 0.09 -0.94 114.58 120.14 1jkj h GLU 74 Ca 0.24 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1jkj h GLU 74 Cb 0.07 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1jkj h GLU 74 CO -0.04 0.91 0.20 -0.97 -1.00 0.00 0.00 179.01 178.11 1jkj h ASN 75 N 0.78 0.65 0.16 1.42 -1.24 0.77 -3.37 115.58 114.74 1jkj h ASN 75 Ca 0.13 -0.16 -0.35 0.00 0.71 0.00 0.00 56.30 56.63 1jkj h ASN 75 Cb 0.58 -0.17 -0.05 0.00 0.73 0.00 0.00 38.32 39.41 1jkj h ASN 75 CO 0.04 0.63 -2.15 0.79 -1.29 0.00 0.00 177.43 175.44 1jkj n TRP 76 N -4.59 0.51 -1.66 0.67 7.02 -0.11 -4.77 117.44 114.50 1jkj n TRP 76 Ca 0.01 0.15 -0.46 0.00 -1.02 0.00 0.00 57.50 56.18 1jkj n TRP 76 Cb 0.14 -1.08 -0.04 0.00 -2.42 0.00 0.00 31.31 27.91 1jkj n TRP 76 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1jkj n LEU 77 N -3.08 2.99 0.00 -0.99 4.77 -0.38 -1.01 117.00 119.30 1jkj n LEU 77 Ca -0.31 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.77 1jkj n LEU 77 Cb 1.07 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1jkj n LEU 77 CO 0.40 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 1jkj n GLY 78 N 2.88 0.93 3.91 -0.72 0.00 0.28 -4.97 105.19 107.50 1jkj n GLY 78 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 1jkj n GLY 78 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jkj s LYS 79 N -0.15 2.84 -0.07 1.61 2.20 -0.18 -4.88 119.74 121.12 1jkj s LYS 79 Ca 0.00 -1.22 -0.00 0.00 -0.36 0.00 0.00 55.97 54.38 1jkj s LYS 79 Cb 0.00 -2.59 -0.03 0.00 -1.51 0.00 0.00 37.83 33.70 1jkj s LYS 79 CO 0.00 0.04 -0.03 1.03 -0.36 0.00 0.00 175.35 176.03 1jkj s ARG 80 N -4.08 2.85 -0.22 4.03 0.52 -1.26 -0.93 118.95 119.86 1jkj s ARG 80 Ca 0.44 -0.49 -0.08 0.00 -0.52 0.00 0.00 55.73 55.07 1jkj s ARG 80 Cb -0.07 -2.68 -0.04 0.00 0.52 0.00 0.00 34.95 32.68 1jkj s ARG 80 CO 0.28 0.68 0.10 -1.17 0.02 0.00 0.00 175.30 175.21 1jkj s LEU 81 N -0.91 3.81 -0.18 2.53 2.96 0.16 -4.83 118.68 122.22 1jkj s LEU 81 Ca 0.13 0.01 -0.07 0.00 -0.22 0.00 0.00 54.13 53.98 1jkj s LEU 81 Cb -0.11 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 1jkj s LEU 81 CO 0.02 0.08 0.05 -0.69 -1.32 0.00 0.00 176.35 174.50 1jkj s VAL 82 N 0.94 4.68 0.32 1.68 1.01 -1.26 -1.35 120.40 126.43 1jkj s VAL 82 Ca 0.05 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.99 1jkj s VAL 82 Cb -0.14 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1jkj s VAL 82 CO 0.03 0.45 0.11 0.42 0.00 0.00 0.00 175.10 176.11 1jkj s THR 83 N 0.45 0.69 -2.00 3.92 -4.23 -1.26 -4.75 115.64 108.45 1jkj s THR 83 Ca 0.03 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.65 1jkj s THR 83 Cb -0.13 -2.58 0.32 0.00 1.34 0.00 0.00 72.50 71.45 1jkj s THR 83 CO 0.01 0.00 1.13 0.00 -0.54 0.00 0.00 174.62 175.22 1jkj n TYR 84 N -0.66 0.00 0.26 3.99 0.18 -1.26 -1.66 117.16 118.01 1jkj n TYR 84 Ca -0.02 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.80 1jkj n TYR 84 Cb 0.66 0.00 0.04 0.00 -0.38 0.00 0.00 39.34 39.66 1jkj n TYR 84 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 1jkj n GLN 85 N -0.81 0.36 -4.08 -3.48 6.02 -1.26 -4.98 117.38 109.15 1jkj n GLN 85 Ca 0.08 -1.05 -0.25 0.00 -0.01 0.00 0.00 57.00 55.77 1jkj n GLN 85 Cb 0.04 -1.15 -0.06 0.00 1.02 0.00 0.00 30.24 30.09 1jkj n GLN 85 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1jkj s THR 86 N -0.66 2.13 0.92 5.09 -4.23 -0.67 -4.83 115.64 113.40 1jkj s THR 86 Ca 0.09 -1.65 -0.13 0.00 -1.18 0.00 0.00 61.69 58.83 1jkj s THR 86 Cb 0.06 -2.78 0.19 0.00 1.34 0.00 0.00 72.50 71.31 1jkj s THR 86 CO 0.09 0.00 1.26 1.51 -0.54 0.00 0.00 174.62 176.95 1jkj s ASP 87 N -3.99 3.32 0.00 3.99 1.47 -1.26 -4.70 116.67 115.50 1jkj s ASP 87 Ca 0.38 0.12 0.03 0.00 1.18 0.00 0.00 52.55 54.26 1jkj s ASP 87 Cb 0.02 -0.22 0.14 0.00 -0.34 0.00 0.00 42.92 42.52 1jkj s ASP 87 CO 0.21 -2.58 1.05 0.00 0.68 0.00 0.00 175.17 174.53 1jkj n ALA 88 N -3.59 1.20 0.51 2.11 0.00 -1.26 -1.11 120.51 118.37 1jkj n ALA 88 Ca 0.15 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.70 1jkj n ALA 88 Cb 0.60 -1.05 0.07 0.00 0.00 0.00 0.00 19.45 19.07 1jkj n ALA 88 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1jkj n ASN 89 N -1.44 0.65 -0.94 0.00 5.15 -1.26 -4.95 115.26 112.46 1jkj n ASN 89 Ca 0.01 -0.03 0.07 0.00 -0.60 0.00 0.00 54.58 54.03 1jkj n ASN 89 Cb 0.03 0.55 -0.02 0.00 -0.53 0.00 0.00 39.78 39.81 1jkj n ASN 89 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jkj n GLY 90 N 1.34 -1.54 3.39 8.20 0.00 -0.26 -4.77 105.19 111.54 1jkj n GLY 90 Ca 0.02 -1.15 -0.31 0.00 0.00 0.00 0.00 46.02 44.57 1jkj n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jkj s GLN 91 N -0.88 2.15 0.41 1.61 -0.21 -0.45 -4.82 119.66 117.46 1jkj s GLN 91 Ca 0.00 -0.91 -0.26 0.00 0.02 0.00 0.00 55.36 54.21 1jkj s GLN 91 Cb 0.00 -2.15 -0.09 0.00 1.00 0.00 0.00 33.01 31.77 1jkj s GLN 91 CO 0.00 0.56 1.33 -1.25 -2.12 0.00 0.00 175.29 173.82 1jkj s PRO 92 N -0.92 3.95 -0.45 2.91 0.04 -1.26 -0.67 135.00 138.59 1jkj s PRO 92 Ca 0.12 2.22 -0.13 0.00 0.04 0.00 0.00 61.00 63.25 1jkj s PRO 92 Cb -0.10 -2.77 0.08 0.00 0.04 0.00 0.00 34.50 31.75 1jkj s PRO 92 CO 0.01 -0.53 0.35 0.08 0.04 0.00 0.00 177.00 176.95 1jkj s VAL 93 N -1.24 4.86 -1.08 -0.36 1.01 -0.11 -4.74 120.40 118.75 1jkj s VAL 93 Ca 0.57 -1.20 0.09 0.00 0.00 0.00 0.00 61.98 61.44 1jkj s VAL 93 Cb -0.39 -3.93 0.05 0.00 0.00 0.00 0.00 36.38 32.11 1jkj s VAL 93 CO 0.51 -0.56 0.74 0.59 0.00 0.00 0.00 175.10 176.38 1jkj n ASN 94 N 5.10 1.61 -3.80 3.32 4.13 -1.26 -0.56 115.26 123.79 1jkj n ASN 94 Ca -0.12 -1.30 -0.13 0.00 1.68 0.00 0.00 54.58 54.72 1jkj n ASN 94 Cb 0.43 0.13 -0.13 0.00 -1.54 0.00 0.00 39.78 38.67 1jkj n ASN 94 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1jkj s GLN 95 N -0.91 0.18 -0.14 3.52 1.11 -1.26 -4.42 119.66 117.74 1jkj s GLN 95 Ca 0.10 0.26 0.01 0.00 0.01 0.00 0.00 55.36 55.74 1jkj s GLN 95 Cb 0.08 0.05 -0.00 0.00 -1.01 0.00 0.00 33.01 32.13 1jkj s GLN 95 CO 0.15 -0.04 -0.17 0.42 0.01 0.00 0.00 175.29 175.65 1jkj s ILE 96 N 0.26 2.51 -0.18 1.08 -1.09 0.14 -0.78 121.20 123.13 1jkj s ILE 96 Ca -0.01 -0.83 -0.18 0.00 -2.23 0.00 0.00 60.65 57.39 1jkj s ILE 96 Cb -0.03 -2.04 -0.03 0.00 -1.58 0.00 0.00 42.46 38.78 1jkj s ILE 96 CO -0.01 0.53 0.52 -0.22 -1.23 0.00 0.00 174.94 174.53 1jkj s LEU 97 N 0.71 4.17 -0.22 2.97 2.96 0.12 -0.03 118.68 129.36 1jkj s LEU 97 Ca -0.08 0.71 -0.03 0.00 -0.22 0.00 0.00 54.13 54.51 1jkj s LEU 97 Cb -0.16 -2.72 0.00 0.00 0.50 0.00 0.00 46.19 43.82 1jkj s LEU 97 CO 0.01 -0.15 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.14 1jkj s VAL 98 N 1.46 3.13 0.23 1.68 1.01 0.35 0.07 120.40 128.33 1jkj s VAL 98 Ca 0.25 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1jkj s VAL 98 Cb -0.15 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1jkj s VAL 98 CO 0.10 0.37 0.10 -1.83 0.00 0.00 0.00 175.10 173.84 1jkj s GLU 99 N 1.43 1.29 0.42 2.72 -1.05 -0.08 0.06 118.70 123.49 1jkj s GLU 99 Ca 0.04 -1.69 -0.25 0.00 -0.15 0.00 0.00 54.97 52.92 1jkj s GLU 99 Cb -0.15 -0.05 -0.08 0.00 -0.44 0.00 0.00 34.13 33.41 1jkj s GLU 99 CO -0.05 -0.32 1.31 0.00 0.95 0.00 0.00 175.26 177.16 1jkj s ALA 100 N -3.91 3.21 0.58 -0.84 0.00 0.94 -1.00 121.76 120.75 1jkj s ALA 100 Ca 0.37 1.24 -0.18 0.00 0.00 0.00 0.00 51.96 53.39 1jkj s ALA 100 Cb 0.07 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1jkj s ALA 100 CO 0.12 -0.87 1.11 0.00 0.00 0.00 0.00 175.76 176.11 1jkj s ALA 101 N -1.28 2.64 -0.02 0.00 0.00 -1.22 -4.56 121.76 117.32 1jkj s ALA 101 Ca 0.59 0.67 0.07 0.00 0.00 0.00 0.00 51.96 53.29 1jkj s ALA 101 Cb -0.38 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.40 1jkj s ALA 101 CO 0.48 -0.91 -0.22 0.99 0.00 0.00 0.00 175.76 176.10 1jkj s THR 102 N -2.04 1.75 -0.67 0.00 2.01 -1.26 -5.03 115.64 110.40 1jkj s THR 102 Ca 0.70 -0.95 -0.23 0.00 0.31 0.00 0.00 61.69 61.52 1jkj s THR 102 Cb -0.21 -1.46 0.07 0.00 0.01 0.00 0.00 72.50 70.91 1jkj s THR 102 CO 0.32 0.50 0.99 -1.81 -0.69 0.00 0.00 174.62 173.93 1jkj s ASP 103 N -0.49 6.19 -0.18 3.53 1.01 -1.26 -5.01 116.67 120.46 1jkj s ASP 103 Ca 0.08 -1.00 -0.27 0.00 0.71 0.00 0.00 52.55 52.07 1jkj s ASP 103 Cb -0.09 -2.43 -0.01 0.00 1.01 0.00 0.00 42.92 41.41 1jkj s ASP 103 CO -0.01 -1.45 0.91 -0.63 0.21 0.00 0.00 175.17 174.20 1jkj s ILE 104 N 4.12 4.81 -0.22 0.77 1.01 -1.26 -0.24 121.20 130.19 1jkj s ILE 104 Ca 0.23 1.80 -0.10 0.00 0.00 0.00 0.00 60.65 62.58 1jkj s ILE 104 Cb -0.16 -4.21 -0.18 0.00 0.01 0.00 0.00 42.46 37.92 1jkj s ILE 104 CO 0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 174.94 174.96 1jkj n ALA 105 N 5.49 1.11 -3.24 9.38 0.00 0.14 -4.71 120.51 128.67 1jkj n ALA 105 Ca 0.07 -0.86 -0.13 0.00 0.00 0.00 0.00 53.44 52.52 1jkj n ALA 105 Cb 0.48 -0.25 -0.09 0.00 0.00 0.00 0.00 19.45 19.58 1jkj n ALA 105 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1jkj s LYS 106 N -2.49 0.60 -0.21 0.00 2.20 -0.72 -4.98 119.74 114.14 1jkj s LYS 106 Ca -0.32 0.01 -0.04 0.00 -0.36 0.00 0.00 55.97 55.25 1jkj s LYS 106 Cb 0.10 0.27 -0.02 0.00 -1.51 0.00 0.00 37.83 36.67 1jkj s LYS 106 CO 0.60 -0.15 -0.03 -1.21 -0.36 0.00 0.00 175.35 174.21 1jkj s GLU 107 N -0.89 3.47 0.46 4.03 2.02 -1.26 -0.53 118.70 126.00 1jkj s GLU 107 Ca -0.10 -0.59 0.05 0.00 0.02 0.00 0.00 54.97 54.36 1jkj s GLU 107 Cb -0.04 -3.02 -0.03 0.00 0.10 0.00 0.00 34.13 31.14 1jkj s GLU 107 CO 0.03 -0.09 0.15 -0.51 0.02 0.00 0.00 175.26 174.86 1jkj s LEU 108 N 1.24 2.81 -0.04 1.80 1.43 0.18 -0.96 118.68 125.15 1jkj s LEU 108 Ca 0.03 -1.29 0.04 0.00 -1.03 0.00 0.00 54.13 51.88 1jkj s LEU 108 Cb -0.14 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 44.93 1jkj s LEU 108 CO -0.00 -0.70 -0.15 -0.47 0.23 0.00 0.00 176.35 175.26 1jkj s TYR 109 N -2.71 1.51 -0.02 0.29 6.14 0.98 0.40 117.35 123.93 1jkj s TYR 109 Ca 0.31 -0.44 -0.00 0.00 0.64 0.00 0.00 57.07 57.57 1jkj s TYR 109 Cb 0.03 -1.04 0.03 0.00 0.42 0.00 0.00 41.96 41.40 1jkj s TYR 109 CO 0.17 -0.17 0.03 -1.17 0.64 0.00 0.00 175.55 175.06 1jkj s LEU 110 N 0.15 1.12 0.25 6.97 2.96 -0.91 -1.21 118.68 128.02 1jkj s LEU 110 Ca -0.05 0.05 -0.22 0.00 -0.22 0.00 0.00 54.13 53.69 1jkj s LEU 110 Cb -0.11 -0.04 0.03 0.00 0.50 0.00 0.00 46.19 46.57 1jkj s LEU 110 CO 0.02 -0.12 0.74 -0.83 -1.32 0.00 0.00 176.35 174.84 1jkj s GLY 111 N 1.00 -0.15 -0.01 7.98 0.00 0.46 -0.00 107.32 116.60 1jkj s GLY 111 Ca -0.08 -0.19 -0.21 0.00 0.00 0.00 0.00 44.72 44.23 1jkj s GLY 111 CO -0.03 -0.06 0.47 0.00 0.00 0.00 0.00 173.10 173.48 1jkj s ALA 112 N -3.82 -1.19 0.25 3.20 0.00 0.03 0.79 121.76 121.01 1jkj s ALA 112 Ca 0.10 0.68 -0.12 0.00 0.00 0.00 0.00 51.96 52.63 1jkj s ALA 112 Cb -0.05 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 1jkj s ALA 112 CO 0.05 -0.34 0.46 0.14 0.00 0.00 0.00 175.76 176.06 1jkj s VAL 113 N -1.53 0.00 -0.23 0.00 -7.23 -0.91 -0.71 120.40 109.78 1jkj s VAL 113 Ca -0.11 -1.45 -0.22 0.00 -1.81 0.00 0.00 61.98 58.39 1jkj s VAL 113 Cb -0.02 -2.25 -0.01 0.00 0.56 0.00 0.00 36.38 34.65 1jkj s VAL 113 CO 0.05 0.00 0.72 -0.69 -0.31 0.00 0.00 175.10 174.87 1jkj s VAL 114 N -3.96 4.93 -0.30 1.32 1.01 -1.24 -0.50 120.40 121.66 1jkj s VAL 114 Ca 0.24 1.36 -0.22 0.00 0.00 0.00 0.00 61.98 63.35 1jkj s VAL 114 Cb -0.00 -4.02 -0.00 0.00 0.00 0.00 0.00 36.38 32.35 1jkj s VAL 114 CO 0.10 0.01 0.72 -0.62 0.00 0.00 0.00 175.10 175.30 1jkj s ASP 115 N 1.33 6.60 0.45 3.32 -1.08 0.16 -4.92 116.67 122.53 1jkj s ASP 115 Ca 0.31 0.59 0.25 0.00 -0.52 0.00 0.00 52.55 53.18 1jkj s ASP 115 Cb -0.16 -2.37 0.76 0.00 -1.46 0.00 0.00 42.92 39.69 1jkj s ASP 115 CO 0.09 -0.54 1.75 0.03 0.52 0.00 0.00 175.17 177.02 1jkj h ARG 116 N 8.11 0.00 -0.06 4.34 3.08 -1.95 0.15 114.38 128.05 1jkj h ARG 116 Ca -0.25 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.68 1jkj h ARG 116 Cb 1.11 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.16 1jkj h ARG 116 CO 0.84 0.13 -0.43 1.03 -1.07 0.00 0.00 179.97 180.47 1jkj h SER 117 N 0.00 0.49 0.26 7.04 0.87 -1.95 -3.23 113.55 117.03 1jkj h SER 117 Ca -0.00 -0.68 0.00 0.00 -1.23 0.00 0.00 61.79 59.88 1jkj h SER 117 Cb 0.84 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1jkj h SER 117 CO 0.02 1.09 -0.39 -1.54 -0.53 0.00 0.00 176.83 175.47 1jkj n SER 118 N -4.33 1.00 -3.58 6.23 3.41 -1.21 -4.96 113.62 110.19 1jkj n SER 118 Ca -0.09 -0.80 -0.20 0.00 -0.26 0.00 0.00 58.87 57.52 1jkj n SER 118 Cb 0.57 0.26 0.06 0.00 -0.26 0.00 0.00 64.21 64.84 1jkj n SER 118 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jkj n ARG 119 N -0.85 -5.76 -3.89 4.33 1.74 0.50 -5.01 116.66 107.72 1jkj n ARG 119 Ca 0.10 0.73 -0.09 0.00 -0.77 0.00 0.00 57.85 57.81 1jkj n ARG 119 Cb 0.36 -5.51 -0.08 0.00 -1.02 0.00 0.00 32.46 26.21 1jkj n ARG 119 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1jkj s ARG 120 N -5.73 0.76 -0.12 5.56 1.81 -1.07 -4.99 118.95 115.16 1jkj s ARG 120 Ca 0.03 -0.91 -0.29 0.00 -1.72 0.00 0.00 55.73 52.84 1jkj s ARG 120 Cb -0.02 0.30 -0.01 0.00 -0.45 0.00 0.00 34.95 34.78 1jkj s ARG 120 CO 0.77 -0.22 1.04 0.08 -0.68 0.00 0.00 175.30 176.29 1jkj s VAL 121 N -3.50 4.71 -0.12 3.52 1.01 -1.26 0.37 120.40 125.12 1jkj s VAL 121 Ca 0.02 1.99 0.02 0.00 0.00 0.00 0.00 61.98 64.02 1jkj s VAL 121 Cb 0.04 -4.28 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 1jkj s VAL 121 CO -0.09 -0.03 -0.20 -0.69 0.00 0.00 0.00 175.10 174.09 1jkj s VAL 122 N 2.26 2.38 0.05 2.92 1.01 0.35 -0.41 120.40 128.95 1jkj s VAL 122 Ca 0.48 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 1jkj s VAL 122 Cb -0.18 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1jkj s VAL 122 CO 0.16 0.54 0.33 -0.36 0.00 0.00 0.00 175.10 175.78 1jkj s PHE 123 N 0.48 3.57 -0.03 5.22 0.40 0.73 -2.14 117.98 126.21 1jkj s PHE 123 Ca -0.13 0.66 0.01 0.00 -0.60 0.00 0.00 56.93 56.87 1jkj s PHE 123 Cb -0.17 -2.06 0.01 0.00 0.51 0.00 0.00 43.02 41.32 1jkj s PHE 123 CO 0.05 0.56 -0.03 1.41 0.70 0.00 0.00 175.22 177.91 1jkj s MET 124 N -1.88 0.53 0.06 0.44 -2.45 0.24 -1.38 119.30 114.85 1jkj s MET 124 Ca 0.31 -0.08 0.05 0.00 -1.25 0.00 0.00 55.69 54.71 1jkj s MET 124 Cb -0.13 -0.58 -0.03 0.00 1.25 0.00 0.00 34.83 35.34 1jkj s MET 124 CO 0.18 -0.03 -0.13 0.00 1.05 0.00 0.00 175.02 176.08 1jkj s ALA 125 N 0.58 1.09 0.03 4.11 0.00 0.13 -0.40 121.76 127.29 1jkj s ALA 125 Ca -0.07 -0.94 -0.21 0.00 0.00 0.00 0.00 51.96 50.74 1jkj s ALA 125 Cb -0.10 -0.09 0.05 0.00 0.00 0.00 0.00 23.12 22.98 1jkj s ALA 125 CO -0.00 0.15 0.48 0.45 0.00 0.00 0.00 175.76 176.83 1jkj s SER 126 N -1.63 -0.39 0.09 0.00 0.15 -0.35 0.06 113.70 111.64 1jkj s SER 126 Ca -0.03 0.18 0.27 0.00 0.70 0.00 0.00 55.95 57.07 1jkj s SER 126 Cb -0.10 0.45 0.97 0.00 -1.71 0.00 0.00 66.02 65.64 1jkj s SER 126 CO 0.02 -0.65 1.80 0.35 1.20 0.00 0.00 173.24 175.96 1jkj n THR 127 N 0.61 0.26 -1.08 6.45 -2.24 -1.26 -0.02 114.28 117.00 1jkj n THR 127 Ca -0.19 -0.13 -0.18 0.00 -2.27 0.00 0.00 64.05 61.28 1jkj n THR 127 Cb 0.59 -0.47 -0.14 0.00 -2.10 0.00 0.00 70.33 68.21 1jkj n THR 127 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jkj n GLU 128 N -1.85 2.37 -1.46 -0.78 -0.58 -1.26 -4.46 120.64 112.62 1jkj n GLU 128 Ca 0.06 -1.29 -0.32 0.00 -0.42 0.00 0.00 57.16 55.19 1jkj n GLU 128 Cb 0.38 -2.17 0.07 0.00 -0.57 0.00 0.00 31.44 29.16 1jkj n GLU 128 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1jkj s GLY 129 N 1.98 1.81 0.00 0.62 0.00 -0.13 -3.68 107.32 107.92 1jkj s GLY 129 Ca 0.67 0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.71 1jkj s GLY 129 CO -0.02 0.66 0.00 0.61 0.00 0.00 0.00 173.10 174.35 1jkj n GLY 130 N -1.13 0.64 3.55 0.20 0.00 -1.26 -4.74 105.19 102.45 1jkj n GLY 130 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1jkj n GLY 130 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jkj s VAL 131 N -2.66 2.87 0.10 1.61 1.01 -1.24 -5.05 120.40 117.04 1jkj s VAL 131 Ca 0.00 -2.17 -0.31 0.00 0.00 0.00 0.00 61.98 59.50 1jkj s VAL 131 Cb 0.00 -2.57 -0.07 0.00 0.00 0.00 0.00 36.38 33.74 1jkj s VAL 131 CO 0.00 -0.37 1.32 -0.70 0.00 0.00 0.00 175.10 175.35 1jkj s GLU 132 N -3.59 4.36 0.45 2.72 2.12 -1.26 -4.85 118.70 118.64 1jkj s GLU 132 Ca 0.31 1.97 0.10 0.00 0.36 0.00 0.00 54.97 57.71 1jkj s GLU 132 Cb -0.05 -3.28 1.00 0.00 0.26 0.00 0.00 34.13 32.06 1jkj s GLU 132 CO 0.17 -0.37 2.09 0.97 -0.54 0.00 0.00 175.26 177.59 1jkj h ILE 133 N 4.31 1.07 -0.82 -3.70 6.09 -1.97 -2.45 117.51 120.03 1jkj h ILE 133 Ca -0.42 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 62.94 1jkj h ILE 133 Cb 1.21 0.68 -0.04 0.00 0.47 0.00 0.00 36.82 39.14 1jkj h ILE 133 CO 0.84 0.07 0.53 -0.33 -3.07 0.00 0.00 178.15 176.19 1jkj h GLU 134 N 0.36 1.10 0.24 2.19 5.08 -1.99 -0.49 114.58 121.07 1jkj h GLU 134 Ca 0.10 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1jkj h GLU 134 Cb -0.04 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 28.95 1jkj h GLU 134 CO -0.02 0.75 -0.30 -0.22 -1.00 0.00 0.00 179.01 178.22 1jkj h LYS 135 N 1.12 -0.57 -0.90 2.33 3.64 -1.83 -0.83 116.57 119.53 1jkj h LYS 135 Ca 0.30 0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.87 1jkj h LYS 135 Cb -0.09 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 31.78 1jkj h LYS 135 CO -0.06 -0.38 0.58 0.28 -2.27 0.00 0.00 179.45 177.60 1jkj h VAL 136 N -0.60 0.81 -0.28 2.00 2.07 -1.31 -0.30 116.25 118.65 1jkj h VAL 136 Ca 0.00 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1jkj h VAL 136 Cb 0.57 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1jkj h VAL 136 CO -0.10 0.12 0.07 0.00 0.02 0.00 0.00 177.57 177.68 1jkj h ALA 137 N 1.60 0.37 0.72 1.67 0.00 -0.27 0.19 119.26 123.54 1jkj h ALA 137 Ca 0.46 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1jkj h ALA 137 Cb 0.77 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1jkj h ALA 137 CO -0.21 0.03 -0.41 0.93 0.00 0.00 0.00 179.25 179.58 1jkj h GLU 138 N 0.28 -1.01 -0.01 0.00 4.39 0.30 -3.22 114.58 115.30 1jkj h GLU 138 Ca 0.09 0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.73 1jkj h GLU 138 Cb 0.29 0.23 0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1jkj h GLU 138 CO 0.00 -0.67 -0.48 0.93 -1.16 0.00 0.00 179.01 177.63 1jkj h GLU 139 N -1.05 0.35 -2.23 2.33 5.08 -1.33 -3.40 114.58 114.33 1jkj h GLU 139 Ca -0.10 -0.36 -0.58 0.00 -1.00 0.00 0.00 59.36 57.32 1jkj h GLU 139 Cb 0.83 0.10 -0.42 0.00 0.50 0.00 0.00 28.75 29.76 1jkj h GLU 139 CO 0.12 1.03 -0.70 0.25 -1.00 0.00 0.00 179.01 178.72 1jkj n THR 140 N -4.31 2.50 -0.12 1.13 -2.24 0.65 -4.93 114.28 106.95 1jkj n THR 140 Ca -0.10 -5.36 -0.06 0.00 -2.27 0.00 0.00 64.05 56.26 1jkj n THR 140 Cb 0.61 -1.48 -0.00 0.00 -2.10 0.00 0.00 70.33 67.36 1jkj n THR 140 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1jkj h PRO 141 N 3.29 -0.19 0.00 -0.78 0.11 -1.56 -0.02 132.00 132.85 1jkj h PRO 141 Ca 0.14 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1jkj h PRO 141 Cb 0.59 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1jkj h PRO 141 CO 0.78 -0.13 0.24 -2.39 -0.21 0.00 0.00 178.00 176.29 1jkj n HIS 142 N -5.41 0.07 1.06 0.65 1.44 -1.26 -0.56 115.22 111.21 1jkj n HIS 142 Ca 0.02 0.04 0.12 0.00 -2.01 0.00 0.00 57.72 55.88 1jkj n HIS 142 Cb 0.32 -0.34 0.08 0.00 0.12 0.00 0.00 29.99 30.18 1jkj n HIS 142 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1jkj n LEU 143 N -1.40 1.89 -4.72 2.39 4.77 -0.02 -4.87 117.00 115.03 1jkj n LEU 143 Ca -0.00 -0.68 -0.36 0.00 -0.03 0.00 0.00 56.01 54.95 1jkj n LEU 143 Cb 0.24 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.23 1jkj n LEU 143 CO 0.01 0.35 -0.11 -0.63 -1.33 0.00 0.00 177.39 175.68 1jkj s ILE 144 N -2.45 5.36 0.07 -0.08 1.01 0.28 -4.14 121.20 121.25 1jkj s ILE 144 Ca 0.20 0.35 0.10 0.00 0.00 0.00 0.00 60.65 61.30 1jkj s ILE 144 Cb 0.18 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 1jkj s ILE 144 CO 0.54 0.41 -0.27 -1.00 0.00 0.00 0.00 174.94 174.63 1jkj s HIS 145 N 0.45 2.32 0.04 3.97 3.76 0.11 -4.95 115.29 120.99 1jkj s HIS 145 Ca 0.12 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.62 1jkj s HIS 145 Cb -0.12 -1.35 -0.03 0.00 1.11 0.00 0.00 32.58 32.19 1jkj s HIS 145 CO 0.01 0.18 -0.04 0.15 -0.85 0.00 0.00 174.74 174.19 1jkj s LYS 146 N -1.45 0.50 -0.01 1.40 1.02 -1.26 0.20 119.74 120.14 1jkj s LYS 146 Ca 0.12 -0.93 -0.04 0.00 0.02 0.00 0.00 55.97 55.14 1jkj s LYS 146 Cb -0.10 0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.27 1jkj s LYS 146 CO 0.03 -0.05 0.09 0.14 -0.92 0.00 0.00 175.35 174.64 1jkj s VAL 147 N -2.57 0.05 -0.18 3.17 -7.23 -0.48 -4.98 120.40 108.19 1jkj s VAL 147 Ca -0.04 -0.45 -0.06 0.00 -1.81 0.00 0.00 61.98 59.62 1jkj s VAL 147 Cb -0.02 -0.28 -0.04 0.00 0.56 0.00 0.00 36.38 36.60 1jkj s VAL 147 CO -0.04 -0.25 0.04 0.00 -0.31 0.00 0.00 175.10 174.54 1jkj s ALA 148 N -0.80 3.27 0.23 1.32 0.00 -1.26 -0.19 121.76 124.32 1jkj s ALA 148 Ca -0.09 -0.81 -0.30 0.00 0.00 0.00 0.00 51.96 50.76 1jkj s ALA 148 Cb -0.05 -1.84 -0.10 0.00 0.00 0.00 0.00 23.12 21.13 1jkj s ALA 148 CO 0.00 0.11 1.40 -0.51 0.00 0.00 0.00 175.76 176.76 1jkj s LEU 149 N 0.51 4.40 -0.23 0.00 1.43 0.45 -4.95 118.68 120.29 1jkj s LEU 149 Ca 0.01 2.57 -0.20 0.00 -1.03 0.00 0.00 54.13 55.48 1jkj s LEU 149 Cb -0.13 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.45 1jkj s LEU 149 CO 0.01 -0.64 0.63 -0.62 0.23 0.00 0.00 176.35 175.96 1jkj s ASP 150 N 0.37 6.62 0.52 2.29 -1.08 -1.26 -4.44 116.67 119.69 1jkj s ASP 150 Ca 0.59 0.76 0.18 0.00 -0.52 0.00 0.00 52.55 53.56 1jkj s ASP 150 Cb -0.40 -2.34 1.28 0.00 -1.46 0.00 0.00 42.92 40.00 1jkj s ASP 150 CO 0.41 -0.33 2.10 -0.65 0.52 0.00 0.00 175.17 177.22 1jkj h PRO 151 N 7.73 0.03 0.00 4.34 0.11 -1.92 0.36 132.00 142.65 1jkj h PRO 151 Ca -0.29 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.70 1jkj h PRO 151 Cb 1.13 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1jkj h PRO 151 CO 0.77 0.02 -0.56 1.25 -0.21 0.00 0.00 178.00 179.27 1jkj h LEU 152 N 0.03 0.00 0.00 2.35 5.85 -2.03 -3.36 115.31 118.16 1jkj h LEU 152 Ca 0.08 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1jkj h LEU 152 Cb 0.29 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1jkj h LEU 152 CO -0.00 0.56 -1.24 0.35 -0.34 0.00 0.00 178.44 177.77 1jkj n THR 153 N -3.78 0.00 0.00 1.05 -2.24 -0.88 -5.12 114.28 103.31 1jkj n THR 153 Ca -0.01 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1jkj n THR 153 Cb 0.59 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 1jkj n THR 153 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jkj n GLY 154 N 2.21 -1.07 3.77 3.38 0.00 0.06 -4.87 105.19 108.68 1jkj n GLY 154 Ca -0.01 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 1jkj n GLY 154 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jkj s PRO 155 N -1.61 4.01 0.04 1.61 0.04 -1.26 -4.33 135.00 133.49 1jkj s PRO 155 Ca 0.00 2.32 0.08 0.00 0.04 0.00 0.00 61.00 63.45 1jkj s PRO 155 Cb 0.00 -2.84 -0.03 0.00 0.04 0.00 0.00 34.50 31.67 1jkj s PRO 155 CO 0.00 -0.52 -0.24 -1.64 0.04 0.00 0.00 177.00 174.64 1jkj s MET 156 N -2.17 1.91 0.43 4.56 -1.94 -1.26 -5.03 119.30 115.80 1jkj s MET 156 Ca 0.55 -1.05 0.19 0.00 -1.71 0.00 0.00 55.69 53.67 1jkj s MET 156 Cb -0.42 -2.05 1.13 0.00 2.01 0.00 0.00 34.83 35.50 1jkj s MET 156 CO 0.55 0.53 1.85 -1.35 -0.01 0.00 0.00 175.02 176.58 1jkj h PRO 157 N 4.78 0.35 -0.12 2.03 0.11 -1.95 -0.45 132.00 136.76 1jkj h PRO 157 Ca -0.47 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 1jkj h PRO 157 Cb 1.14 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1jkj h PRO 157 CO 0.45 0.23 -0.15 0.10 -0.21 0.00 0.00 178.00 178.42 1jkj h TYR 158 N 0.36 0.20 -0.63 0.65 -0.00 -1.98 -0.15 116.97 115.42 1jkj h TYR 158 Ca 0.48 -0.02 -0.09 0.00 0.00 0.00 0.00 58.73 59.10 1jkj h TYR 158 Cb 1.27 -0.06 -0.02 0.00 0.00 0.00 0.00 36.73 37.92 1jkj h TYR 158 CO -0.00 0.35 0.04 1.96 -0.00 0.00 0.00 178.16 180.51 1jkj h GLN 159 N 0.18 1.08 -0.42 0.10 4.20 -1.50 0.36 115.11 119.13 1jkj h GLN 159 Ca 0.04 -0.32 -0.04 0.00 0.06 0.00 0.00 58.65 58.39 1jkj h GLN 159 Cb 0.38 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1jkj h GLN 159 CO 0.02 1.02 0.10 0.78 -0.67 0.00 0.00 178.83 180.09 1jkj h GLY 160 N 1.02 0.72 1.07 3.46 0.00 -1.19 -1.91 103.07 106.25 1jkj h GLY 160 Ca 0.19 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 1jkj h GLY 160 CO 0.02 0.42 -0.05 3.21 0.00 0.00 0.00 176.54 180.15 1jkj h ARG 161 N 0.54 1.01 -0.03 4.80 3.08 -0.76 -0.47 114.38 122.55 1jkj h ARG 161 Ca 0.13 -0.35 0.04 0.00 0.07 0.00 0.00 59.98 59.87 1jkj h ARG 161 Cb 0.32 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.24 1jkj h ARG 161 CO 0.00 1.03 -0.33 1.49 -1.07 0.00 0.00 179.97 181.09 1jkj h GLU 162 N 0.89 -0.45 -0.62 0.04 4.81 0.02 0.24 114.58 119.51 1jkj h GLU 162 Ca 0.15 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1jkj h GLU 162 Cb 0.60 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 1jkj h GLU 162 CO 0.04 -0.30 0.39 -0.07 -0.73 0.00 0.00 179.01 178.33 1jkj h LEU 163 N -0.47 0.73 -0.41 1.64 3.38 -1.18 -0.78 115.31 118.21 1jkj h LEU 163 Ca 0.07 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1jkj h LEU 163 Cb 0.57 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1jkj h LEU 163 CO -0.29 0.55 0.20 0.00 0.09 0.00 0.00 178.44 178.99 1jkj h ALA 164 N 1.20 0.51 -0.20 1.53 0.00 -0.25 -1.44 119.26 120.62 1jkj h ALA 164 Ca 0.22 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 1jkj h ALA 164 Cb -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1jkj h ALA 164 CO -0.04 -0.16 -0.39 0.74 0.00 0.00 0.00 179.25 179.40 1jkj h PHE 165 N 0.41 0.53 0.00 0.00 0.04 -0.24 -0.72 116.94 116.96 1jkj h PHE 165 Ca 0.18 -0.15 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 1jkj h PHE 165 Cb 0.09 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.12 1jkj h PHE 165 CO -0.10 0.78 -0.02 0.87 -0.60 0.00 0.00 178.31 179.23 1jkj h LYS 166 N 0.38 0.00 -0.03 1.51 1.57 -0.57 0.03 116.57 119.45 1jkj h LYS 166 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1jkj h LYS 166 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1jkj h LYS 166 CO 0.07 0.02 0.00 1.28 -0.57 0.00 0.00 179.45 180.25 1jkj n LEU 167 N -3.15 1.61 -1.09 2.94 4.77 -0.60 -4.92 117.00 116.56 1jkj n LEU 167 Ca -0.01 -0.55 -0.11 0.00 -0.03 0.00 0.00 56.01 55.32 1jkj n LEU 167 Cb 0.25 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1jkj n LEU 167 CO 0.26 0.27 -0.13 0.61 -1.33 0.00 0.00 177.39 177.08 1jkj n GLY 168 N 1.18 0.32 3.84 -0.72 0.00 -0.00 -4.95 105.19 104.87 1jkj n GLY 168 Ca 0.18 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 1jkj n GLY 168 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jkj s LEU 169 N -2.86 3.58 0.17 0.99 1.43 -0.34 -5.01 118.68 116.63 1jkj s LEU 169 Ca 0.00 1.60 -0.11 0.00 -1.03 0.00 0.00 54.13 54.59 1jkj s LEU 169 Cb 0.00 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.71 1jkj s LEU 169 CO 0.00 -0.70 0.35 -1.83 0.23 0.00 0.00 176.35 174.40 1jkj s GLU 170 N -4.15 1.22 4.98 1.70 -1.05 -1.26 -4.60 118.70 115.55 1jkj s GLU 170 Ca 0.59 -1.09 0.00 0.00 -0.15 0.00 0.00 54.97 54.33 1jkj s GLU 170 Cb -0.11 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.00 1jkj s GLU 170 CO 0.34 -0.47 0.00 0.41 0.95 0.00 0.00 175.26 176.49 1jkj n GLY 171 N -0.25 1.78 0.29 -3.83 0.00 -1.26 -2.64 105.19 99.27 1jkj n GLY 171 Ca -0.08 -0.61 0.19 0.00 0.00 0.00 0.00 46.02 45.52 1jkj n GLY 171 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1jkj h LYS 172 N 0.00 0.00 -0.02 1.61 2.10 -1.99 -1.68 116.57 116.60 1jkj h LYS 172 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 1jkj h LYS 172 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1jkj h LYS 172 CO 0.00 0.00 -0.23 -0.07 -2.00 0.00 0.00 179.45 177.15 1jkj h LEU 173 N 0.00 0.02 -0.30 7.07 3.38 -1.82 -0.33 115.31 123.33 1jkj h LEU 173 Ca 0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1jkj h LEU 173 Cb 0.31 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1jkj h LEU 173 CO 0.00 0.25 0.04 0.58 0.09 0.00 0.00 178.44 179.40 1jkj h VAL 174 N 0.02 1.24 -0.56 1.22 2.07 -1.41 0.27 116.25 119.10 1jkj h VAL 174 Ca 0.00 -0.84 -0.08 0.00 0.82 0.00 0.00 66.70 66.60 1jkj h VAL 174 Cb 0.42 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1jkj h VAL 174 CO 0.03 0.27 0.04 1.56 0.02 0.00 0.00 177.57 179.49 1jkj h GLN 175 N 0.32 0.96 -0.55 1.57 7.50 -1.54 0.34 115.11 123.71 1jkj h GLN 175 Ca 0.09 -0.29 -0.01 0.00 0.50 0.00 0.00 58.65 58.94 1jkj h GLN 175 Cb 0.37 -0.10 -0.03 0.00 0.05 0.00 0.00 27.48 27.77 1jkj h GLN 175 CO 0.01 0.95 0.31 1.96 -1.50 0.00 0.00 178.83 180.56 1jkj h GLN 176 N 0.85 0.76 -0.58 1.46 4.20 -0.89 -0.42 115.11 120.48 1jkj h GLN 176 Ca 0.16 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.74 1jkj h GLN 176 Cb 0.49 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1jkj h GLN 176 CO 0.02 0.57 0.15 0.35 -0.67 0.00 0.00 178.83 179.25 1jkj h PHE 177 N 0.74 0.98 -0.60 2.96 3.04 -0.19 -0.97 116.94 122.89 1jkj h PHE 177 Ca 0.20 -0.12 0.01 0.00 3.98 0.00 0.00 57.97 62.04 1jkj h PHE 177 Cb 0.02 -0.28 -0.03 0.00 2.56 0.00 0.00 35.95 38.23 1jkj h PHE 177 CO -0.02 0.83 0.39 1.15 -2.02 0.00 0.00 178.31 178.65 1jkj h THR 178 N 0.84 1.14 -0.29 4.41 2.02 -0.58 0.21 112.91 120.66 1jkj h THR 178 Ca 0.18 -0.28 0.02 0.00 0.77 0.00 0.00 66.41 67.10 1jkj h THR 178 Cb 0.34 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1jkj h THR 178 CO 0.00 0.15 0.16 0.50 0.37 0.00 0.00 175.52 176.69 1jkj h LYS 179 N 0.80 0.31 -0.55 6.66 3.64 -0.67 0.94 116.57 127.71 1jkj h LYS 179 Ca 0.22 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1jkj h LYS 179 Cb -0.08 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 1jkj h LYS 179 CO -0.06 0.21 0.28 0.82 -2.27 0.00 0.00 179.45 178.43 1jkj h ILE 180 N 0.32 1.20 0.24 2.00 2.04 -0.57 -0.13 117.51 122.61 1jkj h ILE 180 Ca 0.12 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 1jkj h ILE 180 Cb 0.02 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1jkj h ILE 180 CO -0.07 0.22 -0.20 0.15 0.00 0.00 0.00 178.15 178.25 1jkj h PHE 181 N 0.74 -0.53 -0.80 1.37 3.57 0.21 0.11 116.94 121.61 1jkj h PHE 181 Ca 0.19 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.74 1jkj h PHE 181 Cb 0.10 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 1jkj h PHE 181 CO -0.01 -0.30 0.53 0.52 -2.23 0.00 0.00 178.31 176.82 1jkj h MET 182 N -0.46 0.92 -0.01 1.11 2.86 -0.59 0.25 114.93 119.00 1jkj h MET 182 Ca -0.01 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1jkj h MET 182 Cb 0.41 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1jkj h MET 182 CO -0.02 0.61 -0.05 0.78 1.06 0.00 0.00 176.91 179.28 1jkj h GLY 183 N 0.95 0.07 1.01 8.32 0.00 -0.69 -0.37 103.07 112.36 1jkj h GLY 183 Ca 0.33 -0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.58 1jkj h GLY 183 CO -0.10 0.08 0.66 1.41 0.00 0.00 0.00 176.54 178.58 1jkj h LEU 184 N -0.55 1.13 -0.79 3.11 3.38 -0.59 0.27 115.31 121.27 1jkj h LEU 184 Ca -0.00 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1jkj h LEU 184 Cb 0.69 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1jkj h LEU 184 CO 0.01 0.81 -0.22 0.00 0.09 0.00 0.00 178.44 179.13 1jkj h ALA 185 N 1.39 0.97 -0.23 1.53 0.00 -0.48 0.01 119.26 122.44 1jkj h ALA 185 Ca 0.37 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1jkj h ALA 185 Cb -0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1jkj h ALA 185 CO -0.08 0.60 -0.04 1.15 0.00 0.00 0.00 179.25 180.88 1jkj h THR 186 N 0.59 1.28 -0.81 0.00 2.02 -0.15 -2.19 112.91 113.64 1jkj h THR 186 Ca 0.09 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.26 1jkj h THR 186 Cb 0.69 1.46 -0.04 0.00 -1.74 0.00 0.00 68.15 68.53 1jkj h THR 186 CO 0.05 0.31 0.51 0.40 0.37 0.00 0.00 175.52 177.17 1jkj h ILE 187 N 0.19 1.22 -0.51 3.11 2.04 -0.22 0.15 117.51 123.47 1jkj h ILE 187 Ca 0.06 -0.44 0.07 0.00 1.00 0.00 0.00 64.86 65.56 1jkj h ILE 187 Cb 0.48 0.06 -0.06 0.00 -0.74 0.00 0.00 36.82 36.56 1jkj h ILE 187 CO 0.02 0.22 0.17 0.15 0.00 0.00 0.00 178.15 178.71 1jkj h PHE 188 N 1.11 0.30 0.02 1.37 3.04 -0.73 0.17 116.94 122.21 1jkj h PHE 188 Ca 0.29 0.03 -0.13 0.00 3.98 0.00 0.00 57.97 62.15 1jkj h PHE 188 Cb -0.08 -0.06 0.01 0.00 2.56 0.00 0.00 35.95 38.38 1jkj h PHE 188 CO -0.01 0.08 -0.50 -0.07 -2.02 0.00 0.00 178.31 175.79 1jkj h LEU 189 N 0.34 0.40 -0.78 0.59 3.38 -0.83 -0.90 115.31 117.52 1jkj h LEU 189 Ca 0.25 -0.81 -0.13 0.00 0.09 0.00 0.00 57.88 57.29 1jkj h LEU 189 Cb 0.29 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1jkj h LEU 189 CO -0.27 1.16 -0.48 -0.33 0.09 0.00 0.00 178.44 178.62 1jkj h GLU 190 N -0.31 0.32 -0.71 1.13 5.08 -0.56 -3.02 114.58 116.52 1jkj h GLU 190 Ca -0.07 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1jkj h GLU 190 Cb 1.26 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1jkj h GLU 190 CO 0.10 0.73 0.00 0.54 -1.00 0.00 0.00 179.01 179.38 1jkj n ARG 191 N -3.98 3.26 -3.86 2.33 5.12 0.57 -4.95 116.66 115.15 1jkj n ARG 191 Ca -0.02 -2.80 -0.30 0.00 -1.93 0.00 0.00 57.85 52.80 1jkj n ARG 191 Cb 0.54 -1.75 0.01 0.00 -1.16 0.00 0.00 32.46 30.09 1jkj n ARG 191 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1jkj n ASP 192 N 1.43 -2.58 -4.84 0.55 8.00 -1.03 -4.70 116.55 113.38 1jkj n ASP 192 Ca 0.26 -1.04 -0.32 0.00 0.71 0.00 0.00 54.79 54.40 1jkj n ASP 192 Cb 0.77 -3.06 -0.00 0.00 -0.02 0.00 0.00 41.12 38.81 1jkj n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1jkj s LEU 193 N -6.82 3.43 -0.08 0.64 1.43 -0.37 -0.61 118.68 116.30 1jkj s LEU 193 Ca 0.23 1.60 0.11 0.00 -1.03 0.00 0.00 54.13 55.04 1jkj s LEU 193 Cb -0.09 -4.50 -0.16 0.00 0.03 0.00 0.00 46.19 41.46 1jkj s LEU 193 CO 0.89 -0.92 0.13 0.00 0.23 0.00 0.00 176.35 176.67 1jkj n ALA 194 N -2.20 1.99 -3.31 4.21 0.00 0.23 -4.49 120.51 116.94 1jkj n ALA 194 Ca 0.07 -0.60 -0.13 0.00 0.00 0.00 0.00 53.44 52.78 1jkj n ALA 194 Cb 0.54 -0.16 -0.10 0.00 0.00 0.00 0.00 19.45 19.73 1jkj n ALA 194 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1jkj s LEU 195 N -4.50 0.43 -0.02 0.00 0.20 -0.35 -3.70 118.68 110.75 1jkj s LEU 195 Ca -0.05 0.78 0.03 0.00 0.69 0.00 0.00 54.13 55.57 1jkj s LEU 195 Cb 0.05 1.43 -0.00 0.00 -0.43 0.00 0.00 46.19 47.23 1jkj s LEU 195 CO 0.50 -0.17 -0.10 -0.63 -0.29 0.00 0.00 176.35 175.66 1jkj s ILE 196 N 0.09 0.79 -0.21 6.68 1.01 0.11 -0.83 121.20 128.84 1jkj s ILE 196 Ca -0.01 -0.40 -0.04 0.00 0.00 0.00 0.00 60.65 60.20 1jkj s ILE 196 Cb -0.03 -0.68 0.10 0.00 0.01 0.00 0.00 42.46 41.86 1jkj s ILE 196 CO 0.01 0.23 0.34 -0.70 0.00 0.00 0.00 174.94 174.83 1jkj s GLU 197 N -0.05 0.28 -0.44 2.79 2.12 0.34 -0.79 118.70 122.95 1jkj s GLU 197 Ca 0.01 0.64 -0.08 0.00 0.36 0.00 0.00 54.97 55.90 1jkj s GLU 197 Cb -0.06 -0.33 0.10 0.00 0.26 0.00 0.00 34.13 34.10 1jkj s GLU 197 CO -0.00 -0.49 0.28 0.42 -0.54 0.00 0.00 175.26 174.93 1jkj s ILE 198 N 2.50 3.99 -0.23 -3.70 -1.09 1.00 -0.51 121.20 123.16 1jkj s ILE 198 Ca 0.06 -1.70 -0.04 0.00 -2.23 0.00 0.00 60.65 56.74 1jkj s ILE 198 Cb -0.14 -3.57 0.08 0.00 -1.58 0.00 0.00 42.46 37.25 1jkj s ILE 198 CO -0.13 -0.65 0.11 0.21 -1.23 0.00 0.00 174.94 173.25 1jkj s ASN 199 N 2.28 2.96 0.13 3.58 2.47 -1.26 -2.15 114.94 122.95 1jkj s ASN 199 Ca 0.05 -0.97 -0.08 0.00 0.42 0.00 0.00 52.86 52.28 1jkj s ASN 199 Cb -0.24 -0.29 -0.06 0.00 -1.45 0.00 0.00 41.25 39.21 1jkj s ASN 199 CO -0.01 -0.40 0.43 -2.16 -3.72 0.00 0.00 177.10 171.24 1jkj s PRO 200 N 2.12 3.73 -0.38 0.43 0.04 -1.26 -4.49 135.00 135.20 1jkj s PRO 200 Ca 0.06 0.12 -0.19 0.00 0.04 0.00 0.00 61.00 61.03 1jkj s PRO 200 Cb -0.16 -2.88 0.01 0.00 0.04 0.00 0.00 34.50 31.51 1jkj s PRO 200 CO -0.24 0.48 0.56 -1.17 0.04 0.00 0.00 177.00 176.67 1jkj s LEU 201 N -2.32 4.42 -0.12 -3.56 2.96 0.16 -2.34 118.68 117.87 1jkj s LEU 201 Ca 0.39 -0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 54.07 1jkj s LEU 201 Cb -0.13 -2.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.87 1jkj s LEU 201 CO 0.21 -0.59 0.19 -0.69 -1.32 0.00 0.00 176.35 174.15 1jkj s VAL 202 N 2.54 5.41 -0.28 1.68 1.01 0.37 0.52 120.40 131.65 1jkj s VAL 202 Ca 0.20 0.32 -0.15 0.00 0.00 0.00 0.00 61.98 62.35 1jkj s VAL 202 Cb -0.15 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1jkj s VAL 202 CO 0.15 0.56 0.39 -0.63 0.00 0.00 0.00 175.10 175.57 1jkj s ILE 203 N -0.61 5.15 0.70 2.22 1.01 0.31 -1.06 121.20 128.94 1jkj s ILE 203 Ca 0.15 0.57 -0.11 0.00 0.00 0.00 0.00 60.65 61.25 1jkj s ILE 203 Cb -0.13 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.63 1jkj s ILE 203 CO 0.04 0.12 1.07 0.42 0.00 0.00 0.00 174.94 176.59 1jkj s THR 204 N 2.11 3.85 0.47 2.92 -4.23 0.12 -0.68 115.64 120.19 1jkj s THR 204 Ca 0.16 0.60 0.15 0.00 -1.18 0.00 0.00 61.69 61.41 1jkj s THR 204 Cb -0.16 -3.45 0.22 0.00 1.34 0.00 0.00 72.50 70.45 1jkj s THR 204 CO 0.10 -0.78 2.06 0.11 -0.54 0.00 0.00 174.62 175.56 1jkj h LYS 205 N -0.70 0.03 0.00 3.99 1.79 -0.90 0.38 116.57 121.16 1jkj h LYS 205 Ca -0.45 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1jkj h LYS 205 Cb 1.23 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1jkj h LYS 205 CO 0.60 0.12 0.00 1.04 -1.08 0.00 0.00 179.45 180.13 1jkj n GLN 206 N -4.41 0.83 -1.63 3.15 3.00 -1.26 -4.89 117.38 112.16 1jkj n GLN 206 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1jkj n GLN 206 Cb 0.18 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.92 1jkj n GLN 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jkj n GLY 207 N 0.65 0.72 3.29 1.08 0.00 0.13 -5.09 105.19 105.97 1jkj n GLY 207 Ca 0.20 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 1jkj n GLY 207 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jkj s ASP 208 N -2.80 2.36 0.18 1.61 1.01 -1.25 -4.82 116.67 112.96 1jkj s ASP 208 Ca 0.00 -0.84 -0.23 0.00 0.71 0.00 0.00 52.55 52.18 1jkj s ASP 208 Cb 0.00 -0.12 -0.08 0.00 1.01 0.00 0.00 42.92 43.73 1jkj s ASP 208 CO 0.00 -0.09 0.75 -0.76 0.21 0.00 0.00 175.17 175.28 1jkj s LEU 209 N -2.59 4.51 -0.10 1.23 1.43 -1.26 0.13 118.68 122.03 1jkj s LEU 209 Ca 0.13 1.56 -0.12 0.00 -1.03 0.00 0.00 54.13 54.67 1jkj s LEU 209 Cb -0.05 -3.36 0.03 0.00 0.03 0.00 0.00 46.19 42.84 1jkj s LEU 209 CO 0.05 0.16 0.32 -0.51 0.23 0.00 0.00 176.35 176.60 1jkj s ILE 210 N -1.26 0.01 -0.49 -0.59 2.07 -0.22 -4.82 121.20 115.90 1jkj s ILE 210 Ca 0.38 -0.09 -0.23 0.00 -1.41 0.00 0.00 60.65 59.29 1jkj s ILE 210 Cb -0.21 -0.49 0.04 0.00 0.13 0.00 0.00 42.46 41.93 1jkj s ILE 210 CO 0.24 -0.05 0.80 0.00 -1.91 0.00 0.00 174.94 174.02 1jkj h LEU 212 N 10.30 0.10 -8.82 0.00 5.85 -1.78 -3.36 115.31 117.62 1jkj h LEU 212 Ca -0.26 -0.13 -0.33 0.00 0.84 0.00 0.00 57.88 58.00 1jkj h LEU 212 Cb 1.08 -0.03 -0.15 0.00 0.37 0.00 0.00 40.66 41.93 1jkj h LEU 212 CO 1.00 1.11 -0.63 -0.62 -0.34 0.00 0.00 178.44 178.96 1jkj s ASP 213 N -6.65 1.12 -0.29 1.25 -1.08 -1.25 -4.92 116.67 104.86 1jkj s ASP 213 Ca -0.03 -1.34 -0.12 0.00 -0.52 0.00 0.00 52.55 50.55 1jkj s ASP 213 Cb 0.09 0.17 0.11 0.00 -1.46 0.00 0.00 42.92 41.83 1jkj s ASP 213 CO 0.83 -0.70 0.67 -0.83 0.52 0.00 0.00 175.17 175.65 1jkj s GLY 214 N -3.27 -0.70 -0.17 2.66 0.00 -1.26 -4.16 107.32 100.42 1jkj s GLY 214 Ca 0.35 2.38 0.01 0.00 0.00 0.00 0.00 44.72 47.46 1jkj s GLY 214 CO 0.11 2.84 -0.17 1.25 0.00 0.00 0.00 173.10 177.14 1jkj s LYS 215 N 2.46 2.62 -0.03 2.90 2.20 0.34 -4.21 119.74 126.02 1jkj s LYS 215 Ca -0.07 -0.74 0.06 0.00 -0.36 0.00 0.00 55.97 54.86 1jkj s LYS 215 Cb -0.10 -2.38 -0.01 0.00 -1.51 0.00 0.00 37.83 33.83 1jkj s LYS 215 CO -0.19 -0.25 -0.22 -0.51 -0.36 0.00 0.00 175.35 173.82 1jkj s LEU 216 N 1.37 2.02 -0.10 5.43 1.43 -1.26 -0.51 118.68 127.06 1jkj s LEU 216 Ca 0.04 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 1jkj s LEU 216 Cb -0.13 -1.17 0.01 0.00 0.03 0.00 0.00 46.19 44.92 1jkj s LEU 216 CO -0.12 0.24 -0.20 -0.83 0.23 0.00 0.00 176.35 175.68 1jkj s GLY 217 N -0.30 1.17 0.20 -3.19 0.00 -0.01 -2.21 107.32 102.99 1jkj s GLY 217 Ca 0.03 -0.83 -0.04 0.00 0.00 0.00 0.00 44.72 43.87 1jkj s GLY 217 CO 0.01 -0.08 0.44 0.00 0.00 0.00 0.00 173.10 173.47 1jkj s ALA 218 N 0.61 3.73 -0.38 3.20 0.00 0.14 0.75 121.76 129.82 1jkj s ALA 218 Ca -0.14 -0.59 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 1jkj s ALA 218 Cb -0.17 -2.17 0.01 0.00 0.00 0.00 0.00 23.12 20.79 1jkj s ALA 218 CO 0.04 0.49 1.30 0.34 0.00 0.00 0.00 175.76 177.93 1jkj s ASP 219 N -2.78 6.54 0.46 0.00 -1.08 0.22 -0.57 116.67 119.47 1jkj s ASP 219 Ca 0.42 0.90 0.16 0.00 -0.52 0.00 0.00 52.55 53.51 1jkj s ASP 219 Cb -0.11 -2.54 1.12 0.00 -1.46 0.00 0.00 42.92 39.93 1jkj s ASP 219 CO 0.27 -1.25 2.01 1.23 0.52 0.00 0.00 175.17 177.95 1jkj h GLY 220 N 11.43 0.40 2.00 2.66 0.00 -1.92 -0.38 103.07 117.25 1jkj h GLY 220 Ca -0.26 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1jkj h GLY 220 CO 1.07 0.07 0.00 3.43 0.00 0.00 0.00 176.54 181.12 1jkj h ASN 221 N 0.29 0.00 -0.03 0.19 2.35 -1.96 -2.69 115.58 113.74 1jkj h ASN 221 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1jkj h ASN 221 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1jkj h ASN 221 CO -0.05 0.00 -0.09 0.00 -1.65 0.00 0.00 177.43 175.64 1jkj n ALA 222 N -1.83 2.67 -0.11 -0.83 0.00 -0.16 -4.48 120.51 115.77 1jkj n ALA 222 Ca 0.01 -0.67 0.23 0.00 0.00 0.00 0.00 53.44 53.01 1jkj n ALA 222 Cb 0.20 -0.77 0.66 0.00 0.00 0.00 0.00 19.45 19.55 1jkj n ALA 222 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1jkj h LEU 223 N 4.05 0.08 -2.55 0.00 3.38 -1.46 0.22 115.31 119.03 1jkj h LEU 223 Ca 0.00 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1jkj h LEU 223 Cb 0.91 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1jkj h LEU 223 CO 0.00 0.04 0.10 2.19 0.09 0.00 0.00 178.44 180.86 1jkj h PHE 224 N 0.09 0.00 -0.04 1.13 -5.15 -1.82 0.24 116.94 111.38 1jkj h PHE 224 Ca 0.35 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 58.11 1jkj h PHE 224 Cb 1.28 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.44 1jkj h PHE 224 CO -0.00 0.00 -0.16 2.89 -2.00 0.00 0.00 178.31 179.04 1jkj n ARG 225 N -3.37 1.54 -3.30 6.09 1.85 0.74 -4.73 116.66 115.48 1jkj n ARG 225 Ca -0.02 -2.86 -0.25 0.00 -1.00 0.00 0.00 57.85 53.72 1jkj n ARG 225 Cb 0.18 -1.58 -0.07 0.00 -1.05 0.00 0.00 32.46 29.93 1jkj n ARG 225 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1jkj n GLN 226 N -1.25 1.55 -0.24 2.89 1.13 0.07 -4.98 117.38 116.55 1jkj n GLN 226 Ca 0.18 -3.89 0.01 0.00 -1.94 0.00 0.00 57.00 51.36 1jkj n GLN 226 Cb 0.70 -1.70 0.13 0.00 0.11 0.00 0.00 30.24 29.49 1jkj n GLN 226 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1jkj h PRO 227 N 4.09 0.59 -0.22 -1.09 0.13 -1.85 0.12 132.00 133.77 1jkj h PRO 227 Ca 0.13 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1jkj h PRO 227 Cb 0.78 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 1jkj h PRO 227 CO 0.63 0.39 0.13 -0.44 -0.23 0.00 0.00 178.00 178.48 1jkj h ASP 228 N 0.60 0.26 -0.47 1.44 3.32 -1.93 -1.77 116.42 117.88 1jkj h ASP 228 Ca 0.35 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 1jkj h ASP 228 Cb 0.36 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1jkj h ASP 228 CO -0.26 0.23 0.23 -0.07 -1.72 0.00 0.00 179.24 177.65 1jkj h LEU 229 N 0.27 0.63 -0.54 1.55 3.38 -1.86 -2.62 115.31 116.12 1jkj h LEU 229 Ca 0.08 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1jkj h LEU 229 Cb 0.02 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1jkj h LEU 229 CO -0.01 0.55 0.30 -0.09 0.09 0.00 0.00 178.44 179.27 1jkj h ARG 230 N 0.71 0.57 0.00 1.13 2.43 -0.14 -0.96 114.38 118.12 1jkj h ARG 230 Ca 0.18 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1jkj h ARG 230 Cb 0.09 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1jkj h ARG 230 CO -0.02 0.38 -0.08 0.93 -1.51 0.00 0.00 179.97 179.66 1jkj h GLU 231 N 0.59 0.00 -0.00 0.20 4.39 -1.03 -3.01 114.58 115.72 1jkj h GLU 231 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1jkj h GLU 231 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1jkj h GLU 231 CO -0.13 0.08 -0.00 -1.33 -1.16 0.00 0.00 179.01 176.47 1jkj n MET 232 N -3.43 0.49 -1.73 2.33 2.81 -0.37 -4.87 117.12 112.36 1jkj n MET 232 Ca -0.01 -0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.45 1jkj n MET 232 Cb 0.23 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.23 1jkj n MET 232 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1jkj n ARG 233 N -1.25 2.47 -3.99 0.03 0.63 -1.14 -4.88 116.66 108.53 1jkj n ARG 233 Ca 0.15 0.87 -0.31 0.00 -0.92 0.00 0.00 57.85 57.65 1jkj n ARG 233 Cb 0.23 -2.59 -0.15 0.00 0.45 0.00 0.00 32.46 30.40 1jkj n ARG 233 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1jkj s ASP 234 N 0.24 4.68 0.39 6.15 2.15 -1.26 -4.97 116.67 124.04 1jkj s ASP 234 Ca 0.62 -2.19 0.09 0.00 0.43 0.00 0.00 52.55 51.50 1jkj s ASP 234 Cb -0.54 -1.58 0.80 0.00 -0.30 0.00 0.00 42.92 41.30 1jkj s ASP 234 CO 0.53 -0.37 1.93 1.56 -0.17 0.00 0.00 175.17 178.65 1jkj h GLN 235 N 7.55 0.25 -0.06 4.34 4.20 -1.94 -2.64 115.11 126.81 1jkj h GLN 235 Ca -0.05 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.63 1jkj h GLN 235 Cb 1.01 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.75 1jkj h GLN 235 CO 0.53 0.37 0.15 0.66 -0.67 0.00 0.00 178.83 179.86 1jkj h SER 236 N 0.24 0.00 1.15 1.46 4.64 -1.98 0.05 113.55 119.11 1jkj h SER 236 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1jkj h SER 236 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1jkj h SER 236 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 1jkj n GLN 237 N -3.35 0.24 -4.41 4.77 1.13 -0.99 -4.46 117.38 110.30 1jkj n GLN 237 Ca -0.01 0.31 -0.25 0.00 -1.94 0.00 0.00 57.00 55.11 1jkj n GLN 237 Cb 0.23 -1.85 -0.09 0.00 0.11 0.00 0.00 30.24 28.64 1jkj n GLN 237 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1jkj s GLU 238 N -3.21 1.96 -0.04 -1.09 0.41 0.00 -4.94 118.70 111.80 1jkj s GLU 238 Ca 0.08 -1.78 -0.34 0.00 -0.41 0.00 0.00 54.97 52.51 1jkj s GLU 238 Cb 0.11 -1.86 -0.12 0.00 -1.78 0.00 0.00 34.13 30.48 1jkj s GLU 238 CO 0.51 0.19 1.81 -3.47 -0.49 0.00 0.00 175.26 173.81 1jkj n ASP 239 N -0.85 3.32 0.26 -0.19 -0.08 -1.26 -4.81 116.55 112.94 1jkj n ASP 239 Ca -0.05 1.00 0.18 0.00 -1.51 0.00 0.00 54.79 54.41 1jkj n ASP 239 Cb 0.62 -1.37 0.93 0.00 2.34 0.00 0.00 41.12 43.64 1jkj n ASP 239 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1jkj h PRO 240 N 8.44 0.00 0.00 -0.67 0.13 -1.94 -1.37 132.00 136.59 1jkj h PRO 240 Ca -0.48 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 1jkj h PRO 240 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1jkj h PRO 240 CO 0.93 0.00 -0.28 0.00 -0.23 0.00 0.00 178.00 178.43 1jkj h ARG 241 N 0.00 0.00 0.30 0.86 3.08 -1.98 -2.08 114.38 114.56 1jkj h ARG 241 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1jkj h ARG 241 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1jkj h ARG 241 CO 0.00 0.28 -0.15 0.93 -1.07 0.00 0.00 179.97 179.96 1jkj h GLU 242 N 0.00 -0.39 -0.68 0.04 5.08 -1.50 0.32 114.58 117.46 1jkj h GLU 242 Ca -0.00 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1jkj h GLU 242 Cb 0.69 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 1jkj h GLU 242 CO 0.04 -0.15 0.34 0.00 -1.00 0.00 0.00 179.01 178.24 1jkj h ALA 243 N 0.05 1.33 0.08 3.43 0.00 -1.68 0.16 119.26 122.63 1jkj h ALA 243 Ca -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1jkj h ALA 243 Cb 0.43 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1jkj h ALA 243 CO 0.07 0.53 -0.08 1.96 0.00 0.00 0.00 179.25 181.73 1jkj h GLN 244 N 0.95 -0.16 0.03 0.00 4.20 -0.93 -0.46 115.11 118.74 1jkj h GLN 244 Ca 0.24 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.98 1jkj h GLN 244 Cb 0.07 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1jkj h GLN 244 CO -0.03 -0.11 -0.20 0.00 -0.67 0.00 0.00 178.83 177.82 1jkj h ALA 245 N 0.75 -0.28 -1.00 3.87 0.00 0.20 -2.38 119.26 120.41 1jkj h ALA 245 Ca 0.00 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.08 1jkj h ALA 245 Cb 0.17 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 18.20 1jkj h ALA 245 CO -0.02 -0.71 0.62 0.00 0.00 0.00 0.00 179.25 179.14 1jkj h ALA 246 N 0.53 1.64 0.00 0.00 0.00 -0.28 0.54 119.26 121.68 1jkj h ALA 246 Ca 0.05 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1jkj h ALA 246 Cb 0.40 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1jkj h ALA 246 CO -0.16 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.10 1jkj n GLN 247 N -4.73 0.14 -0.38 0.00 10.64 -0.21 -0.80 117.38 122.04 1jkj n GLN 247 Ca 0.22 0.33 0.08 0.00 -1.83 0.00 0.00 57.00 55.81 1jkj n GLN 247 Cb 0.52 -1.75 0.26 0.00 -0.86 0.00 0.00 30.24 28.41 1jkj n GLN 247 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 1jkj n TRP 248 N -2.01 0.92 -3.53 2.61 7.02 0.18 -4.96 117.44 117.67 1jkj n TRP 248 Ca 0.03 -0.58 -0.21 0.00 -1.02 0.00 0.00 57.50 55.72 1jkj n TRP 248 Cb 0.24 -0.12 0.08 0.00 -2.42 0.00 0.00 31.31 29.09 1jkj n TRP 248 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1jkj n GLU 249 N 0.79 -7.24 -4.57 -0.99 1.02 0.02 -4.80 120.64 104.86 1jkj n GLU 249 Ca 0.20 0.83 -0.22 0.00 -0.02 0.00 0.00 57.16 57.95 1jkj n GLU 249 Cb 0.66 -5.86 -0.14 0.00 -0.02 0.00 0.00 31.44 26.08 1jkj n GLU 249 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1jkj s LEU 250 N -6.85 2.10 -0.36 -4.62 1.43 -0.59 -2.18 118.68 107.61 1jkj s LEU 250 Ca 0.30 -0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 52.95 1jkj s LEU 250 Cb -0.13 -0.74 0.04 0.00 0.03 0.00 0.00 46.19 45.39 1jkj s LEU 250 CO 0.73 0.13 0.16 0.20 0.23 0.00 0.00 176.35 177.80 1jkj s ASN 251 N -0.73 5.49 -0.06 2.29 0.01 -0.01 -2.30 114.94 119.62 1jkj s ASN 251 Ca 0.05 -1.15 0.05 0.00 -0.71 0.00 0.00 52.86 51.10 1jkj s ASN 251 Cb -0.07 -1.93 -0.01 0.00 0.41 0.00 0.00 41.25 39.65 1jkj s ASN 251 CO 0.00 -0.37 -0.23 -0.47 -1.51 0.00 0.00 177.10 174.53 1jkj s TYR 252 N 1.45 2.50 -0.10 2.20 5.04 -1.26 -0.59 117.35 126.59 1jkj s TYR 252 Ca 0.00 -0.61 -0.03 0.00 -2.44 0.00 0.00 57.07 53.98 1jkj s TYR 252 Cb -0.20 -1.62 0.05 0.00 0.35 0.00 0.00 41.96 40.54 1jkj s TYR 252 CO 0.04 -0.15 0.09 0.08 -1.34 0.00 0.00 175.55 174.27 1jkj s VAL 253 N -0.23 -0.12 0.45 3.14 1.01 -0.28 -4.62 120.40 119.75 1jkj s VAL 253 Ca -0.01 0.17 -0.22 0.00 0.00 0.00 0.00 61.98 61.92 1jkj s VAL 253 Cb -0.13 -0.35 -0.08 0.00 0.00 0.00 0.00 36.38 35.82 1jkj s VAL 253 CO 0.03 -0.02 1.08 0.00 0.00 0.00 0.00 175.10 176.19 1jkj s ALA 254 N 2.17 2.97 0.43 5.51 0.00 -1.26 -0.70 121.76 130.88 1jkj s ALA 254 Ca 0.04 0.74 0.04 0.00 0.00 0.00 0.00 51.96 52.77 1jkj s ALA 254 Cb -0.14 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 1jkj s ALA 254 CO -0.06 -0.38 0.13 -0.51 0.00 0.00 0.00 175.76 174.93 1jkj s LEU 255 N -3.06 2.01 -0.02 0.00 1.02 0.43 -4.89 118.68 114.17 1jkj s LEU 255 Ca 0.63 -1.71 -0.26 0.00 0.02 0.00 0.00 54.13 52.81 1jkj s LEU 255 Cb -0.22 -0.13 -0.20 0.00 0.02 0.00 0.00 46.19 45.66 1jkj s LEU 255 CO 0.27 -0.96 1.28 -2.24 0.02 0.00 0.00 176.35 174.72 1jkj h ASP 256 N 1.71 -0.02 -0.18 2.29 2.03 -1.77 -3.43 116.42 117.05 1jkj h ASP 256 Ca -0.35 -0.45 0.00 0.00 -0.73 0.00 0.00 57.03 55.50 1jkj h ASP 256 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 1jkj h ASP 256 CO 0.57 0.45 0.00 0.61 -1.03 0.00 0.00 179.24 179.83 1jkj n GLY 257 N 0.16 0.00 0.00 7.15 0.00 -1.04 -4.86 105.19 106.59 1jkj n GLY 257 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1jkj n GLY 257 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jkj n ASN 258 N 0.53 0.53 -4.29 1.61 2.04 0.02 -4.24 115.26 111.45 1jkj n ASN 258 Ca 0.00 -1.10 -0.39 0.00 -0.44 0.00 0.00 54.58 52.65 1jkj n ASN 258 Cb 0.00 0.00 -0.11 0.00 -2.53 0.00 0.00 39.78 37.14 1jkj n ASN 258 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 1jkj s ILE 259 N -0.10 4.15 0.34 1.53 1.01 -0.57 -0.44 121.20 127.13 1jkj s ILE 259 Ca 0.00 -1.21 -0.28 0.00 0.00 0.00 0.00 60.65 59.16 1jkj s ILE 259 Cb 0.00 -3.44 -0.10 0.00 0.01 0.00 0.00 42.46 38.94 1jkj s ILE 259 CO 0.00 -0.35 1.22 -0.83 0.00 0.00 0.00 174.94 174.98 1jkj s GLY 260 N 1.76 2.98 -0.11 6.18 0.00 0.72 0.12 107.32 118.97 1jkj s GLY 260 Ca 0.01 1.10 0.02 0.00 0.00 0.00 0.00 44.72 45.86 1jkj s GLY 260 CO 0.03 1.70 -0.19 0.00 0.00 0.00 0.00 173.10 174.65 1jkj s MET 262 N 0.76 2.05 0.06 0.00 -2.45 0.59 -3.28 119.30 117.04 1jkj s MET 262 Ca -0.10 -1.01 0.00 0.00 -1.25 0.00 0.00 55.69 53.33 1jkj s MET 262 Cb -0.16 -2.59 -0.04 0.00 1.25 0.00 0.00 34.83 33.29 1jkj s MET 262 CO 0.01 -0.49 -0.04 0.08 1.05 0.00 0.00 175.02 175.63 1jkj s VAL 263 N 1.31 0.36 -0.28 10.11 1.01 -0.78 -0.43 120.40 131.70 1jkj s VAL 263 Ca -0.04 -1.66 -0.06 0.00 0.00 0.00 0.00 61.98 60.22 1jkj s VAL 263 Cb -0.18 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 34.90 1jkj s VAL 263 CO -0.07 -0.84 0.06 0.54 0.00 0.00 0.00 175.10 174.78 1jkj s ASN 264 N -2.64 4.99 0.00 3.32 4.22 -1.21 0.19 114.94 123.80 1jkj s ASN 264 Ca 0.04 -0.68 0.00 0.00 -2.14 0.00 0.00 52.86 50.08 1jkj s ASN 264 Cb 0.03 -1.85 0.00 0.00 1.28 0.00 0.00 41.25 40.71 1jkj s ASN 264 CO -0.06 -0.16 0.00 0.61 -2.04 0.00 0.00 177.10 175.44 1jkj n GLY 265 N 4.84 3.53 0.12 0.45 0.00 -1.26 -4.68 105.19 108.19 1jkj n GLY 265 Ca -0.15 -1.41 -0.14 0.00 0.00 0.00 0.00 46.02 44.31 1jkj n GLY 265 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jkj h ALA 266 N 0.00 0.14 -0.47 4.61 0.00 -1.95 0.44 119.26 122.03 1jkj h ALA 266 Ca 0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 1jkj h ALA 266 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1jkj h ALA 266 CO 0.00 0.13 0.01 0.78 0.00 0.00 0.00 179.25 180.17 1jkj h GLY 267 N -0.16 0.89 1.36 0.00 0.00 -1.99 0.03 103.07 103.21 1jkj h GLY 267 Ca -0.01 -0.65 -0.10 0.00 0.00 0.00 0.00 47.33 46.57 1jkj h GLY 267 CO 0.05 0.60 -0.18 -2.00 0.00 0.00 0.00 176.54 175.01 1jkj h LEU 268 N 0.68 0.74 0.03 3.11 5.85 -1.84 0.18 115.31 124.06 1jkj h LEU 268 Ca 0.14 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1jkj h LEU 268 Cb 0.49 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1jkj h LEU 268 CO 0.02 0.92 -0.01 0.00 -0.34 0.00 0.00 178.44 179.03 1jkj h ALA 269 N 1.14 -0.03 -0.57 1.25 0.00 -0.44 0.35 119.26 120.95 1jkj h ALA 269 Ca 0.10 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1jkj h ALA 269 Cb 0.66 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1jkj h ALA 269 CO 0.05 -0.52 0.07 0.52 0.00 0.00 0.00 179.25 179.37 1jkj h MET 270 N -0.03 0.93 -0.25 0.00 2.86 -0.77 -0.80 114.93 116.87 1jkj h MET 270 Ca -0.00 -0.24 -0.10 0.00 -2.06 0.00 0.00 59.70 57.31 1jkj h MET 270 Cb 0.03 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 1jkj h MET 270 CO 0.01 0.88 -0.25 0.78 1.06 0.00 0.00 176.91 179.38 1jkj h GLY 271 N 1.01 0.51 0.84 8.32 0.00 -0.10 -0.59 103.07 113.06 1jkj h GLY 271 Ca 0.18 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 1jkj h GLY 271 CO 0.01 0.38 -0.10 -0.84 0.00 0.00 0.00 176.54 175.99 1jkj h THR 272 N 0.42 1.30 -0.65 4.70 2.02 0.11 0.80 112.91 121.60 1jkj h THR 272 Ca 0.06 -1.16 0.05 0.00 0.77 0.00 0.00 66.41 66.14 1jkj h THR 272 Cb 0.67 1.57 -0.05 0.00 -1.74 0.00 0.00 68.15 68.60 1jkj h THR 272 CO 0.05 0.36 0.36 0.24 0.37 0.00 0.00 175.52 176.90 1jkj h MET 273 N 0.19 0.66 -0.77 6.66 2.86 -0.85 -1.20 114.93 122.49 1jkj h MET 273 Ca 0.05 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 1jkj h MET 273 Cb 0.59 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 1jkj h MET 273 CO 0.03 0.44 0.26 -0.44 1.06 0.00 0.00 176.91 178.26 1jkj h ASP 274 N 0.68 1.10 0.28 1.22 3.32 -0.70 -0.87 116.42 121.45 1jkj h ASP 274 Ca 0.29 -0.20 -0.12 0.00 0.02 0.00 0.00 57.03 57.03 1jkj h ASP 274 Cb 0.17 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1jkj h ASP 274 CO -0.17 1.00 -0.47 -0.29 -1.72 0.00 0.00 179.24 177.59 1jkj h ILE 275 N 1.13 1.33 -0.52 0.35 2.10 -0.36 0.25 117.51 121.80 1jkj h ILE 275 Ca 0.25 -1.66 -0.12 0.00 1.08 0.00 0.00 64.86 64.41 1jkj h ILE 275 Cb 0.28 1.78 -0.02 0.00 -1.09 0.00 0.00 36.82 37.77 1jkj h ILE 275 CO -0.01 0.49 -0.16 0.58 -1.08 0.00 0.00 178.15 177.97 1jkj h VAL 276 N 0.19 1.27 -0.49 2.19 2.07 -0.86 -2.32 116.25 118.30 1jkj h VAL 276 Ca 0.01 -1.33 -0.11 0.00 0.82 0.00 0.00 66.70 66.10 1jkj h VAL 276 Cb 0.90 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1jkj h VAL 276 CO 0.07 0.47 -0.12 0.50 0.02 0.00 0.00 177.57 178.51 1jkj h LYS 277 N 0.90 0.90 -0.20 1.57 1.63 -0.58 0.40 116.57 121.19 1jkj h LYS 277 Ca 0.13 -0.32 -0.04 0.00 -0.85 0.00 0.00 60.65 59.57 1jkj h LYS 277 Cb 0.74 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.30 1jkj h LYS 277 CO 0.06 0.97 -0.04 1.25 -3.45 0.00 0.00 179.45 178.24 1jkj h LEU 278 N 0.81 0.28 -3.73 5.20 5.85 -0.29 -2.79 115.31 120.64 1jkj h LEU 278 Ca 0.13 -0.04 -0.48 0.00 0.84 0.00 0.00 57.88 58.32 1jkj h LEU 278 Cb 0.64 -0.07 -0.25 0.00 0.37 0.00 0.00 40.66 41.35 1jkj h LEU 278 CO 0.04 0.37 0.62 1.41 -0.34 0.00 0.00 178.44 180.54 1jkj n HIS 279 N -4.33 2.62 -0.99 1.25 8.25 -0.90 -4.85 115.22 116.28 1jkj n HIS 279 Ca -0.00 -2.01 0.00 0.00 -0.26 0.00 0.00 57.72 55.45 1jkj n HIS 279 Cb 0.22 -1.00 0.00 0.00 1.12 0.00 0.00 29.99 30.33 1jkj n HIS 279 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jkj n GLY 280 N -0.75 0.50 3.96 -1.41 0.00 -1.05 -4.88 105.19 101.56 1jkj n GLY 280 Ca 0.51 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.31 1jkj n GLY 280 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jkj s GLY 281 N -2.00 1.73 -0.31 -0.02 0.00 0.14 -4.99 107.32 101.87 1jkj s GLY 281 Ca 0.00 -1.19 0.01 0.00 0.00 0.00 0.00 44.72 43.54 1jkj s GLY 281 CO 0.00 -0.93 0.08 1.85 0.00 0.00 0.00 173.10 174.09 1jkj s GLU 282 N -4.75 0.99 0.20 2.90 2.56 -1.26 -3.91 118.70 115.43 1jkj s GLU 282 Ca 0.55 -1.31 -0.32 0.00 0.00 0.00 0.00 54.97 53.89 1jkj s GLU 282 Cb -0.10 -2.40 -0.11 0.00 2.00 0.00 0.00 34.13 33.52 1jkj s GLU 282 CO 0.39 -0.95 1.65 -1.25 -0.56 0.00 0.00 175.26 174.54 1jkj s PRO 283 N 1.38 4.16 0.29 4.30 0.04 -1.26 -0.80 135.00 143.11 1jkj s PRO 283 Ca 0.09 2.52 0.21 0.00 0.04 0.00 0.00 61.00 63.86 1jkj s PRO 283 Cb -0.18 -3.10 0.13 0.00 0.04 0.00 0.00 34.50 31.39 1jkj s PRO 283 CO -0.19 -0.69 1.29 0.00 0.04 0.00 0.00 177.00 177.46 1jkj h ALA 284 N 6.59 0.73 -2.19 8.56 0.00 -0.50 -2.77 119.26 129.68 1jkj h ALA 284 Ca -0.43 -0.14 0.21 0.00 0.00 0.00 0.00 54.91 54.55 1jkj h ALA 284 Cb 1.20 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 1jkj h ALA 284 CO 0.92 0.16 0.57 0.54 0.00 0.00 0.00 179.25 181.45 1jkj s ASN 285 N -5.87 -0.13 -0.11 0.00 4.22 -1.26 -0.43 114.94 111.37 1jkj s ASN 285 Ca 0.03 -0.39 0.02 0.00 -2.14 0.00 0.00 52.86 50.38 1jkj s ASN 285 Cb 0.07 0.42 -0.01 0.00 1.28 0.00 0.00 41.25 43.02 1jkj s ASN 285 CO 0.74 -0.79 -0.19 0.12 -2.04 0.00 0.00 177.10 174.93 1jkj s PHE 286 N -2.96 2.66 -0.20 1.54 2.19 0.12 -4.11 117.98 117.21 1jkj s PHE 286 Ca 0.14 -0.82 -0.04 0.00 0.33 0.00 0.00 56.93 56.54 1jkj s PHE 286 Cb -0.00 -1.75 0.10 0.00 -1.31 0.00 0.00 43.02 40.06 1jkj s PHE 286 CO 0.02 -0.29 0.31 -1.17 1.83 0.00 0.00 175.22 175.91 1jkj s LEU 287 N 0.26 -0.40 -0.33 6.12 1.98 -1.21 -1.12 118.68 123.98 1jkj s LEU 287 Ca -0.13 0.22 -0.10 0.00 -2.89 0.00 0.00 54.13 51.23 1jkj s LEU 287 Cb -0.16 0.82 -0.00 0.00 0.66 0.00 0.00 46.19 47.51 1jkj s LEU 287 CO 0.07 -0.29 0.17 -0.62 -1.89 0.00 0.00 176.35 173.79 1jkj s ASP 288 N 2.46 5.62 0.00 3.68 2.15 0.25 -1.86 116.67 128.97 1jkj s ASP 288 Ca 0.07 -0.62 0.00 0.00 0.43 0.00 0.00 52.55 52.43 1jkj s ASP 288 Cb -0.15 -2.02 0.00 0.00 -0.30 0.00 0.00 42.92 40.46 1jkj s ASP 288 CO -0.13 -0.24 1.20 0.52 -0.17 0.00 0.00 175.17 176.36 1jkj n VAL 289 N 4.99 1.20 0.00 1.11 0.31 0.50 -0.83 118.33 125.61 1jkj n VAL 289 Ca -0.13 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1jkj n VAL 289 Cb 0.48 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 1jkj n VAL 289 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jkj n GLY 290 N 1.21 0.00 3.95 2.92 0.00 -1.24 -4.53 105.19 107.50 1jkj n GLY 290 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1jkj n GLY 290 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jkj s GLY 291 N -2.57 1.81 0.08 -0.02 0.00 -0.93 -4.99 107.32 100.70 1jkj s GLY 291 Ca 0.00 -1.46 -0.31 0.00 0.00 0.00 0.00 44.72 42.95 1jkj s GLY 291 CO 0.00 -0.67 1.57 -0.32 0.00 0.00 0.00 173.10 173.68 1jkj s GLY 292 N -4.93 1.64 0.00 0.20 0.00 -1.26 -4.80 107.32 98.17 1jkj s GLY 292 Ca 0.75 1.19 0.00 0.00 0.00 0.00 0.00 44.72 46.66 1jkj s GLY 292 CO 0.52 2.73 0.57 0.00 0.00 0.00 0.00 173.10 176.91 1jkj n ALA 293 N 5.05 0.71 -1.21 3.20 0.00 -1.26 -4.80 120.51 122.19 1jkj n ALA 293 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.29 1jkj n ALA 293 Cb 0.41 -1.70 0.13 0.00 0.00 0.00 0.00 19.45 18.29 1jkj n ALA 293 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jkj s THR 294 N 3.16 2.83 0.17 0.00 -4.23 -1.26 -4.70 115.64 111.61 1jkj s THR 294 Ca 0.00 0.27 -0.15 0.00 -1.18 0.00 0.00 61.69 60.63 1jkj s THR 294 Cb 0.00 -2.75 0.08 0.00 1.34 0.00 0.00 72.50 71.17 1jkj s THR 294 CO 0.00 -0.35 1.71 0.50 -0.54 0.00 0.00 174.62 175.94 1jkj h LYS 295 N -1.44 0.15 -0.17 3.99 3.64 -1.88 0.28 116.57 121.13 1jkj h LYS 295 Ca -0.48 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1jkj h LYS 295 Cb 1.27 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1jkj h LYS 295 CO 0.53 0.10 0.02 0.93 -2.27 0.00 0.00 179.45 178.76 1jkj h GLU 296 N 0.16 0.30 -0.87 1.90 3.07 -1.93 -1.06 114.58 116.15 1jkj h GLU 296 Ca 0.21 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 1jkj h GLU 296 Cb 0.28 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.11 1jkj h GLU 296 CO -0.31 0.48 0.50 -0.09 -1.40 0.00 0.00 179.01 178.20 1jkj h ARG 297 N 0.07 1.20 -0.13 2.33 2.43 -1.79 -0.55 114.38 117.93 1jkj h ARG 297 Ca 0.05 -0.13 -0.13 0.00 -0.81 0.00 0.00 59.98 58.97 1jkj h ARG 297 Cb 0.34 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1jkj h ARG 297 CO 0.01 0.86 -0.49 0.28 -1.51 0.00 0.00 179.97 179.12 1jkj h VAL 298 N 1.21 1.33 -0.05 0.20 2.07 -0.84 -0.99 116.25 119.19 1jkj h VAL 298 Ca 0.31 -1.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.12 1jkj h VAL 298 Cb -0.01 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1jkj h VAL 298 CO -0.05 0.52 0.03 0.74 0.02 0.00 0.00 177.57 178.82 1jkj h THR 299 N 0.27 1.10 -0.59 2.57 2.02 -0.53 -1.69 112.91 116.05 1jkj h THR 299 Ca 0.01 -0.28 0.07 0.00 0.77 0.00 0.00 66.41 66.99 1jkj h THR 299 Cb 0.96 1.19 -0.06 0.00 -1.74 0.00 0.00 68.15 68.50 1jkj h THR 299 CO 0.08 0.08 0.26 -0.33 0.37 0.00 0.00 175.52 175.98 1jkj h GLU 300 N -0.03 0.47 -0.46 6.66 4.39 -0.84 0.18 114.58 124.94 1jkj h GLU 300 Ca 0.02 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.76 1jkj h GLU 300 Cb 0.11 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 1jkj h GLU 300 CO -0.00 0.31 0.10 0.00 -1.16 0.00 0.00 179.01 178.26 1jkj h ALA 301 N 1.36 0.52 -0.11 3.43 0.00 -0.91 0.39 119.26 123.94 1jkj h ALA 301 Ca 0.28 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1jkj h ALA 301 Cb 0.28 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1jkj h ALA 301 CO -0.24 -0.30 0.03 0.74 0.00 0.00 0.00 179.25 179.48 1jkj h PHE 302 N 0.24 0.19 -0.36 0.00 0.04 -0.33 0.24 116.94 116.95 1jkj h PHE 302 Ca 0.23 -0.02 0.08 0.00 2.80 0.00 0.00 57.97 61.05 1jkj h PHE 302 Cb 0.29 -0.05 -0.08 0.00 2.20 0.00 0.00 35.95 38.30 1jkj h PHE 302 CO -0.21 0.34 -0.16 0.87 -0.60 0.00 0.00 178.31 178.55 1jkj h LYS 303 N -0.02 -0.09 0.11 1.51 1.57 0.02 0.48 116.57 120.14 1jkj h LYS 303 Ca 0.04 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1jkj h LYS 303 Cb 0.24 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1jkj h LYS 303 CO -0.00 -0.06 -0.05 0.82 -0.57 0.00 0.00 179.45 179.59 1jkj h ILE 304 N -0.10 0.98 -0.56 1.86 2.04 0.03 -1.24 117.51 120.53 1jkj h ILE 304 Ca 0.18 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.76 1jkj h ILE 304 Cb 0.37 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 1jkj h ILE 304 CO -0.43 0.08 0.33 0.40 0.00 0.00 0.00 178.15 178.53 1jkj h ILE 305 N -0.28 1.04 -0.00 -0.67 2.04 -0.04 -2.22 117.51 117.38 1jkj h ILE 305 Ca -0.01 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1jkj h ILE 305 Cb 0.23 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1jkj h ILE 305 CO 0.02 0.12 0.00 0.18 0.00 0.00 0.00 178.15 178.47 1jkj n LEU 306 N -4.78 0.04 0.03 1.44 4.77 0.16 -2.98 117.00 115.68 1jkj n LEU 306 Ca 0.05 -0.01 0.09 0.00 -0.03 0.00 0.00 56.01 56.10 1jkj n LEU 306 Cb 0.09 -0.00 0.38 0.00 -2.33 0.00 0.00 43.42 41.57 1jkj n LEU 306 CO 0.32 0.01 0.79 -1.54 -1.33 0.00 0.00 177.39 175.63 1jkj n SER 307 N -0.96 0.15 -4.49 -1.43 3.41 -0.48 -4.39 113.62 105.43 1jkj n SER 307 Ca 0.23 0.53 -0.43 0.00 -0.26 0.00 0.00 58.87 58.95 1jkj n SER 307 Cb 0.11 -0.57 -0.09 0.00 -0.26 0.00 0.00 64.21 63.41 1jkj n SER 307 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jkj s ASP 308 N -3.28 6.21 0.65 4.04 2.15 -1.16 -4.95 116.67 120.33 1jkj s ASP 308 Ca 0.07 -0.60 0.31 0.00 0.43 0.00 0.00 52.55 52.76 1jkj s ASP 308 Cb 0.11 -2.23 1.67 0.00 -0.30 0.00 0.00 42.92 42.16 1jkj s ASP 308 CO 0.33 -0.58 1.96 0.44 -0.17 0.00 0.00 175.17 177.16 1jkj h ASP 309 N 8.71 0.00 1.22 -0.34 5.19 -1.90 -2.15 116.42 127.15 1jkj h ASP 309 Ca -0.27 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.12 1jkj h ASP 309 Cb 1.11 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.62 1jkj h ASP 309 CO 0.79 0.00 -0.11 0.11 -3.12 0.00 0.00 179.24 176.92 1jkj h LYS 310 N 0.00 0.00 -6.29 3.56 1.79 -1.92 -3.45 116.57 110.26 1jkj h LYS 310 Ca 0.04 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.97 1jkj h LYS 310 Cb 0.68 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 1jkj h LYS 310 CO -0.00 0.11 1.17 0.08 -1.08 0.00 0.00 179.45 179.73 1jkj s VAL 311 N -3.52 3.33 -0.47 0.50 1.01 -0.81 -4.52 120.40 115.91 1jkj s VAL 311 Ca 0.02 0.39 0.13 0.00 0.00 0.00 0.00 61.98 62.52 1jkj s VAL 311 Cb 0.08 -3.26 -0.15 0.00 0.00 0.00 0.00 36.38 33.05 1jkj s VAL 311 CO 0.61 -0.05 0.48 0.29 0.00 0.00 0.00 175.10 176.43 1jkj n LYS 312 N 7.41 2.32 -3.49 2.72 4.76 0.42 -5.01 118.16 127.29 1jkj n LYS 312 Ca 0.19 -0.03 -0.16 0.00 -2.87 0.00 0.00 58.31 55.44 1jkj n LYS 312 Cb 0.42 -1.14 -0.05 0.00 -1.84 0.00 0.00 35.03 32.43 1jkj n LYS 312 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jkj s ALA 313 N -2.34 -1.72 -0.12 7.82 0.00 -1.19 -3.90 121.76 120.30 1jkj s ALA 313 Ca 0.03 1.09 0.02 0.00 0.00 0.00 0.00 51.96 53.09 1jkj s ALA 313 Cb 0.09 0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.47 1jkj s ALA 313 CO 0.52 -0.48 -0.17 0.08 0.00 0.00 0.00 175.76 175.71 1jkj s VAL 314 N -1.90 1.65 -0.26 0.00 1.01 -0.79 -0.20 120.40 119.92 1jkj s VAL 314 Ca -0.08 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 1jkj s VAL 314 Cb -0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 1jkj s VAL 314 CO 0.04 0.47 0.16 -0.22 0.00 0.00 0.00 175.10 175.54 1jkj s LEU 315 N 0.99 3.97 -0.27 3.92 2.96 0.17 -1.28 118.68 129.13 1jkj s LEU 315 Ca -0.06 0.02 -0.06 0.00 -0.22 0.00 0.00 54.13 53.81 1jkj s LEU 315 Cb -0.15 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.46 1jkj s LEU 315 CO -0.03 0.01 0.05 -0.69 -1.32 0.00 0.00 176.35 174.37 1jkj s VAL 316 N 1.40 3.81 -0.32 1.68 1.01 0.55 -0.30 120.40 128.23 1jkj s VAL 316 Ca 0.07 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1jkj s VAL 316 Cb -0.15 -2.91 0.10 0.00 0.00 0.00 0.00 36.38 33.42 1jkj s VAL 316 CO 0.07 0.18 0.05 0.21 0.00 0.00 0.00 175.10 175.61 1jkj s ASN 317 N 1.49 4.49 -0.19 3.32 2.47 0.42 -0.35 114.94 126.60 1jkj s ASN 317 Ca 0.03 -1.91 -0.03 0.00 0.42 0.00 0.00 52.86 51.37 1jkj s ASN 317 Cb -0.16 -1.38 -0.01 0.00 -1.45 0.00 0.00 41.25 38.24 1jkj s ASN 317 CO 0.01 -0.37 -0.07 -0.63 -3.72 0.00 0.00 177.10 172.32 1jkj s ILE 318 N 1.14 3.30 -0.35 -5.21 -1.09 -0.27 -3.30 121.20 115.42 1jkj s ILE 318 Ca 0.09 -0.54 0.03 0.00 -2.23 0.00 0.00 60.65 57.99 1jkj s ILE 318 Cb -0.19 -2.46 0.10 0.00 -1.58 0.00 0.00 42.46 38.34 1jkj s ILE 318 CO -0.13 0.46 0.09 0.12 -1.23 0.00 0.00 174.94 174.26 1jkj s PHE 319 N 1.02 3.05 0.00 3.97 2.19 -1.26 -1.84 117.98 125.11 1jkj s PHE 319 Ca -0.00 -2.63 0.00 0.00 0.33 0.00 0.00 56.93 54.63 1jkj s PHE 319 Cb -0.15 -2.52 0.00 0.00 -1.31 0.00 0.00 43.02 39.04 1jkj s PHE 319 CO -0.00 -0.91 0.00 0.41 1.83 0.00 0.00 175.22 176.55 1jkj n GLY 320 N 4.30 0.32 1.44 13.12 0.00 0.03 -4.98 105.19 119.43 1jkj n GLY 320 Ca 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1jkj n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jkj n GLY 321 N 0.00 -2.62 0.16 -0.02 0.00 -1.26 -4.62 105.19 96.83 1jkj n GLY 321 Ca 0.00 -1.86 0.05 0.00 0.00 0.00 0.00 46.02 44.21 1jkj n GLY 321 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1jkj h ILE 322 N 0.00 0.57 -3.09 -0.61 3.07 -1.97 -3.46 117.51 112.02 1jkj h ILE 322 Ca 0.00 -1.82 -0.60 0.00 1.55 0.00 0.00 64.86 63.99 1jkj h ILE 322 Cb 0.00 2.25 -0.05 0.00 -0.27 0.00 0.00 36.82 38.75 1jkj h ILE 322 CO 0.00 0.32 -0.26 -0.69 -1.05 0.00 0.00 178.15 176.47 1jkj s VAL 323 N -3.04 5.12 0.37 0.16 1.01 -1.26 -5.07 120.40 117.68 1jkj s VAL 323 Ca 0.04 0.41 -0.25 0.00 0.00 0.00 0.00 61.98 62.18 1jkj s VAL 323 Cb 0.07 -3.64 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 1jkj s VAL 323 CO 0.73 0.29 1.07 -0.13 0.00 0.00 0.00 175.10 177.06 1jkj s ARG 324 N -1.91 4.26 0.35 2.72 0.52 -1.26 -4.87 118.95 118.77 1jkj s ARG 324 Ca 0.33 1.62 0.14 0.00 -0.52 0.00 0.00 55.73 57.29 1jkj s ARG 324 Cb -0.14 -2.71 0.99 0.00 0.52 0.00 0.00 34.95 33.61 1jkj s ARG 324 CO 0.18 -0.08 1.74 0.00 0.02 0.00 0.00 175.30 177.16 1jkj h ASP 326 N 0.49 0.44 1.37 0.00 2.03 -1.72 0.12 116.42 119.15 1jkj h ASP 326 Ca 0.63 -0.14 -0.10 0.00 -0.73 0.00 0.00 57.03 56.69 1jkj h ASP 326 Cb 1.37 -0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 39.74 1jkj h ASP 326 CO -0.40 0.69 -0.46 -0.07 -1.03 0.00 0.00 179.24 177.96 1jkj h LEU 327 N 0.39 0.00 -0.17 0.15 3.38 -1.09 -1.66 115.31 116.30 1jkj h LEU 327 Ca 0.06 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.80 1jkj h LEU 327 Cb 0.65 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.41 1jkj h LEU 327 CO 0.05 0.46 -0.81 0.40 0.09 0.00 0.00 178.44 178.63 1jkj h ILE 328 N 0.00 1.29 -0.68 1.22 2.04 -0.82 -2.18 117.51 118.38 1jkj h ILE 328 Ca -0.00 -2.04 -0.06 0.00 1.00 0.00 0.00 64.86 63.75 1jkj h ILE 328 Cb 1.27 2.05 -0.03 0.00 -0.74 0.00 0.00 36.82 39.38 1jkj h ILE 328 CO 0.06 0.64 0.18 0.00 0.00 0.00 0.00 178.15 179.03 1jkj h ALA 329 N 0.59 1.03 -0.21 1.87 0.00 -0.59 0.25 119.26 122.20 1jkj h ALA 329 Ca -0.06 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1jkj h ALA 329 Cb 1.44 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1jkj h ALA 329 CO 0.16 0.64 -0.11 -0.44 0.00 0.00 0.00 179.25 179.50 1jkj h ASP 330 N 1.02 0.33 -0.39 0.00 3.32 -1.24 -0.22 116.42 119.23 1jkj h ASP 330 Ca 0.22 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 57.07 1jkj h ASP 330 Cb 0.34 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1jkj h ASP 330 CO -0.00 0.48 -0.25 1.23 -1.72 0.00 0.00 179.24 178.98 1jkj h GLY 331 N 0.82 0.94 0.81 2.75 0.00 -0.49 0.72 103.07 108.61 1jkj h GLY 331 Ca 0.07 -0.88 -0.02 0.00 0.00 0.00 0.00 47.33 46.49 1jkj h GLY 331 CO 0.02 0.80 0.01 -2.22 0.00 0.00 0.00 176.54 175.16 1jkj h ILE 332 N 0.67 1.24 -0.27 2.60 2.04 -0.07 0.23 117.51 123.95 1jkj h ILE 332 Ca 0.08 -0.77 0.04 0.00 1.00 0.00 0.00 64.86 65.20 1jkj h ILE 332 Cb 0.82 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 1jkj h ILE 332 CO 0.07 0.23 0.06 0.40 0.00 0.00 0.00 178.15 178.91 1jkj h ILE 333 N 0.04 0.88 -0.58 -0.67 2.04 -1.02 0.50 117.51 118.70 1jkj h ILE 333 Ca 0.05 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1jkj h ILE 333 Cb 0.34 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1jkj h ILE 333 CO 0.01 0.03 0.26 1.23 0.00 0.00 0.00 178.15 179.67 1jkj h GLY 334 N 0.17 0.92 0.89 5.37 0.00 -0.71 -1.85 103.07 107.86 1jkj h GLY 334 Ca 0.12 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 1jkj h GLY 334 CO -0.16 0.45 0.09 0.00 0.00 0.00 0.00 176.54 176.92 1jkj h ALA 335 N 1.10 0.34 -0.96 3.60 0.00 0.16 -0.71 119.26 122.80 1jkj h ALA 335 Ca 0.20 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1jkj h ALA 335 Cb 0.16 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 1jkj h ALA 335 CO -0.02 -0.03 0.60 0.28 0.00 0.00 0.00 179.25 180.08 1jkj h VAL 336 N 0.26 0.98 0.29 0.00 2.07 0.23 0.32 116.25 120.41 1jkj h VAL 336 Ca 0.09 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1jkj h VAL 336 Cb 0.22 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1jkj h VAL 336 CO -0.00 0.19 -0.14 0.00 0.02 0.00 0.00 177.57 177.63 1jkj h ALA 337 N 1.48 -0.39 -0.68 1.67 0.00 -1.15 0.51 119.26 120.71 1jkj h ALA 337 Ca 0.45 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.33 1jkj h ALA 337 Cb 0.33 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 1jkj h ALA 337 CO -0.22 -0.38 0.31 1.49 0.00 0.00 0.00 179.25 180.45 1jkj h GLU 338 N -1.06 0.51 0.00 0.00 4.81 -0.92 0.16 114.58 118.08 1jkj h GLU 338 Ca -0.04 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1jkj h GLU 338 Cb 0.39 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1jkj h GLU 338 CO 0.06 0.34 0.00 0.28 -0.73 0.00 0.00 179.01 178.96 1jkj n VAL 339 N -4.92 0.60 -3.13 0.32 0.31 0.11 -4.88 118.33 106.74 1jkj n VAL 339 Ca 0.11 -0.07 -0.14 0.00 -0.01 0.00 0.00 64.34 64.23 1jkj n VAL 339 Cb 0.29 -0.75 0.07 0.00 -0.91 0.00 0.00 33.84 32.53 1jkj n VAL 339 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jkj n GLY 340 N 0.90 -0.56 3.69 2.92 0.00 0.57 -4.86 105.19 107.84 1jkj n GLY 340 Ca 0.05 0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 1jkj n GLY 340 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jkj s VAL 341 N -3.32 3.41 -0.27 1.61 1.01 0.14 -4.86 120.40 118.11 1jkj s VAL 341 Ca 0.20 0.80 0.11 0.00 0.00 0.00 0.00 61.98 63.08 1jkj s VAL 341 Cb -0.03 -3.51 0.53 0.00 0.00 0.00 0.00 36.38 33.37 1jkj s VAL 341 CO 0.64 -0.01 1.50 0.59 0.00 0.00 0.00 175.10 177.82 1jkj n ASN 342 N 5.65 3.05 -4.23 3.32 3.02 -1.26 -4.91 115.26 119.89 1jkj n ASN 342 Ca 0.15 -3.53 -0.13 0.00 -0.03 0.00 0.00 54.58 51.04 1jkj n ASN 342 Cb 0.42 -0.63 -0.10 0.00 -0.61 0.00 0.00 39.78 38.86 1jkj n ASN 342 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1jkj s VAL 343 N -3.13 0.82 0.32 2.41 -7.23 -1.26 -5.07 120.40 107.26 1jkj s VAL 343 Ca 0.45 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 58.35 1jkj s VAL 343 Cb 0.40 -1.94 -0.10 0.00 0.56 0.00 0.00 36.38 35.30 1jkj s VAL 343 CO 0.04 -0.65 1.21 -2.16 -0.31 0.00 0.00 175.10 173.22 1jkj s PRO 344 N -3.85 4.43 -0.15 4.82 0.04 -1.25 -4.87 135.00 134.18 1jkj s PRO 344 Ca 0.19 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1jkj s PRO 344 Cb 0.05 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.51 1jkj s PRO 344 CO 0.01 -0.04 -0.14 0.08 0.04 0.00 0.00 177.00 176.94 1jkj s VAL 345 N -1.18 2.80 -0.15 -0.36 1.01 -1.00 -1.89 120.40 119.64 1jkj s VAL 345 Ca 0.48 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 1jkj s VAL 345 Cb -0.36 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1jkj s VAL 345 CO 0.46 0.51 -0.02 -0.69 0.00 0.00 0.00 175.10 175.36 1jkj s VAL 346 N 0.68 4.02 -0.03 2.92 1.01 -0.40 -0.61 120.40 127.99 1jkj s VAL 346 Ca -0.07 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.66 1jkj s VAL 346 Cb -0.16 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 1jkj s VAL 346 CO 0.02 0.50 -0.22 -0.69 0.00 0.00 0.00 175.10 174.71 1jkj s VAL 347 N 0.25 1.78 -0.20 2.92 1.01 0.75 -0.33 120.40 126.58 1jkj s VAL 347 Ca -0.02 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.02 1jkj s VAL 347 Cb -0.14 -1.49 0.04 0.00 0.00 0.00 0.00 36.38 34.80 1jkj s VAL 347 CO 0.03 0.50 -0.10 -0.60 0.00 0.00 0.00 175.10 174.93 1jkj s ARG 348 N -0.39 1.99 -0.03 2.72 3.00 0.53 0.71 118.95 127.48 1jkj s ARG 348 Ca 0.05 -0.85 0.05 0.00 -1.00 0.00 0.00 55.73 53.98 1jkj s ARG 348 Cb -0.10 -2.42 -0.03 0.00 0.00 0.00 0.00 34.95 32.41 1jkj s ARG 348 CO 0.00 -0.44 -0.17 -0.51 0.00 0.00 0.00 175.30 174.19 1jkj s LEU 349 N 1.40 2.62 -0.03 -0.88 1.43 -1.26 -1.12 118.68 120.84 1jkj s LEU 349 Ca -0.01 -0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1jkj s LEU 349 Cb -0.16 -1.52 0.03 0.00 0.03 0.00 0.00 46.19 44.56 1jkj s LEU 349 CO -0.08 0.32 0.06 -1.61 0.23 0.00 0.00 176.35 175.27 1jkj s GLU 350 N -0.86 0.00 0.00 1.70 0.41 -0.77 -4.86 118.70 114.33 1jkj s GLU 350 Ca 0.12 0.22 0.00 0.00 -0.41 0.00 0.00 54.97 54.90 1jkj s GLU 350 Cb -0.10 -0.20 0.00 0.00 -1.78 0.00 0.00 34.13 32.05 1jkj s GLU 350 CO 0.01 -0.15 0.00 0.41 -0.49 0.00 0.00 175.26 175.05 1jkj n GLY 351 N 4.05 0.49 3.61 -1.39 0.00 -1.26 -0.79 105.19 109.91 1jkj n GLY 351 Ca -0.26 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.30 1jkj n GLY 351 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jkj s ASN 352 N -4.00 5.85 -0.21 1.61 0.01 -1.26 -2.29 114.94 114.65 1jkj s ASN 352 Ca 0.00 1.86 -0.00 0.00 -0.71 0.00 0.00 52.86 54.01 1jkj s ASN 352 Cb 0.00 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.14 1jkj s ASN 352 CO 0.00 -1.65 0.02 0.59 -1.51 0.00 0.00 177.10 174.55 1jkj n ASN 353 N 10.22 -1.74 -0.18 -1.22 3.02 -1.26 -0.86 115.26 123.24 1jkj n ASN 353 Ca 0.25 -0.01 -0.01 0.00 -0.03 0.00 0.00 54.58 54.78 1jkj n ASN 353 Cb 0.45 -1.04 0.09 0.00 -0.61 0.00 0.00 39.78 38.67 1jkj n ASN 353 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jkj h ALA 354 N 0.12 0.64 0.00 5.41 0.00 -1.79 0.14 119.26 123.79 1jkj h ALA 354 Ca -0.06 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1jkj h ALA 354 Cb 1.04 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1jkj h ALA 354 CO 0.07 -0.30 -0.67 0.93 0.00 0.00 0.00 179.25 179.28 1jkj h GLU 355 N 0.26 0.00 -0.03 0.00 5.08 -1.91 -0.84 114.58 117.14 1jkj h GLU 355 Ca 0.28 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.48 1jkj h GLU 355 Cb 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1jkj h GLU 355 CO -0.36 0.67 -0.70 1.25 -1.00 0.00 0.00 179.01 178.87 1jkj h LEU 356 N 0.00 0.19 -0.30 1.33 5.85 -1.80 -0.13 115.31 120.46 1jkj h LEU 356 Ca -0.01 -0.13 -0.17 0.00 0.84 0.00 0.00 57.88 58.42 1jkj h LEU 356 Cb 1.34 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 1jkj h LEU 356 CO 0.09 0.83 -0.47 1.23 -0.34 0.00 0.00 178.44 179.77 1jkj h GLY 357 N 1.73 0.92 1.13 3.75 0.00 -0.59 -0.63 103.07 109.38 1jkj h GLY 357 Ca -0.02 -1.04 -0.05 0.00 0.00 0.00 0.00 47.33 46.22 1jkj h GLY 357 CO 0.10 0.94 0.24 0.00 0.00 0.00 0.00 176.54 177.82 1jkj h ALA 358 N 0.69 1.07 -0.44 3.60 0.00 -1.01 -1.41 119.26 121.75 1jkj h ALA 358 Ca 0.02 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1jkj h ALA 358 Cb 1.08 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1jkj h ALA 358 CO 0.11 0.64 0.01 -0.22 0.00 0.00 0.00 179.25 179.79 1jkj h LYS 359 N 1.06 0.77 -0.95 0.00 3.64 -0.84 -1.00 116.57 119.24 1jkj h LYS 359 Ca 0.23 -0.24 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1jkj h LYS 359 Cb 0.27 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.96 1jkj h LYS 359 CO -0.01 0.83 0.61 0.87 -2.27 0.00 0.00 179.45 179.48 1jkj h LYS 360 N 0.61 1.09 0.04 1.90 1.57 -0.68 0.34 116.57 121.44 1jkj h LYS 360 Ca 0.12 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1jkj h LYS 360 Cb 0.48 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1jkj h LYS 360 CO 0.02 0.72 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.53 1jkj h LEU 361 N 1.12 -0.04 -0.79 2.94 3.38 -0.88 -2.27 115.31 118.77 1jkj h LEU 361 Ca 0.40 -0.33 0.09 0.00 0.09 0.00 0.00 57.88 58.13 1jkj h LEU 361 Cb 0.13 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 1jkj h LEU 361 CO -0.16 0.32 0.44 0.00 0.09 0.00 0.00 178.44 179.12 1jkj h ALA 362 N 0.54 1.12 -0.00 1.53 0.00 -0.73 -2.08 119.26 119.64 1jkj h ALA 362 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jkj h ALA 362 Cb 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1jkj h ALA 362 CO 0.01 0.07 -0.02 -0.25 0.00 0.00 0.00 179.25 179.06 1jkj n ASP 363 N -4.77 0.12 0.10 0.00 8.00 0.11 -3.33 116.55 116.79 1jkj n ASP 363 Ca 0.13 -0.49 -0.04 0.00 0.71 0.00 0.00 54.79 55.10 1jkj n ASP 363 Cb 0.27 -0.16 0.02 0.00 -0.02 0.00 0.00 41.12 41.23 1jkj n ASP 363 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1jkj h SER 364 N 0.15 0.00 0.00 -2.24 4.64 -0.77 -3.47 113.55 111.87 1jkj h SER 364 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jkj h SER 364 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1jkj h SER 364 CO 0.00 0.81 0.00 0.61 -0.87 0.00 0.00 176.83 177.38 1jkj n GLY 365 N 0.82 1.26 3.82 -0.77 0.00 -1.21 -5.04 105.19 104.07 1jkj n GLY 365 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1jkj n GLY 365 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jkj s LEU 366 N 0.00 3.06 -1.16 0.99 1.43 -1.26 -4.88 118.68 116.86 1jkj s LEU 366 Ca 0.00 1.57 -0.21 0.00 -1.03 0.00 0.00 54.13 54.46 1jkj s LEU 366 Cb 0.00 -4.41 0.03 0.00 0.03 0.00 0.00 46.19 41.83 1jkj s LEU 366 CO 0.00 -1.51 1.71 0.21 0.23 0.00 0.00 176.35 176.98 1jkj s ASN 367 N -3.81 6.27 -0.15 2.29 2.47 -1.26 -4.81 114.94 115.93 1jkj s ASN 367 Ca 0.58 -1.84 -0.04 0.00 0.42 0.00 0.00 52.86 51.98 1jkj s ASN 367 Cb -0.14 -2.58 0.07 0.00 -1.45 0.00 0.00 41.25 37.15 1jkj s ASN 367 CO 0.55 -1.74 0.19 -0.63 -3.72 0.00 0.00 177.10 171.75 1jkj s ILE 368 N 6.14 -0.28 -0.01 -5.21 1.01 -1.26 -2.36 121.20 119.23 1jkj s ILE 368 Ca 0.56 0.07 -0.18 0.00 0.00 0.00 0.00 60.65 61.09 1jkj s ILE 368 Cb 0.01 -0.52 -0.05 0.00 0.01 0.00 0.00 42.46 41.91 1jkj s ILE 368 CO 0.03 -0.07 0.52 -0.63 0.00 0.00 0.00 174.94 174.78 1jkj s ILE 369 N 2.30 4.96 -0.50 2.92 -1.09 0.22 -4.53 121.20 125.48 1jkj s ILE 369 Ca 0.05 1.08 -0.16 0.00 -2.23 0.00 0.00 60.65 59.38 1jkj s ILE 369 Cb -0.14 -3.85 0.10 0.00 -1.58 0.00 0.00 42.46 36.99 1jkj s ILE 369 CO -0.09 0.46 0.45 0.00 -1.23 0.00 0.00 174.94 174.53 1jkj s ALA 370 N -0.40 3.59 0.79 9.38 0.00 -1.26 -0.18 121.76 133.68 1jkj s ALA 370 Ca 0.28 -2.28 -0.11 0.00 0.00 0.00 0.00 51.96 49.85 1jkj s ALA 370 Cb -0.17 -3.17 0.07 0.00 0.00 0.00 0.00 23.12 19.85 1jkj s ALA 370 CO 0.15 -1.87 1.09 0.00 0.00 0.00 0.00 175.76 175.13 1jkj s ALA 371 N 1.67 2.14 -0.75 0.00 0.00 0.22 -4.94 121.76 120.10 1jkj s ALA 371 Ca 0.04 0.14 -0.04 0.00 0.00 0.00 0.00 51.96 52.10 1jkj s ALA 371 Cb -0.27 -3.23 0.19 0.00 0.00 0.00 0.00 23.12 19.81 1jkj s ALA 371 CO 0.05 -1.83 0.61 0.15 0.00 0.00 0.00 175.76 174.74 1jkj s LYS 372 N -4.94 2.97 0.00 0.00 3.01 -1.26 -4.67 119.74 114.84 1jkj s LYS 372 Ca 0.61 -2.81 0.00 0.00 -1.01 0.00 0.00 55.97 52.76 1jkj s LYS 372 Cb -0.17 -3.91 0.00 0.00 -1.01 0.00 0.00 37.83 32.74 1jkj s LYS 372 CO 0.56 -1.22 0.00 0.41 0.51 0.00 0.00 175.35 175.61 1jkj n GLY 373 N 3.10 1.33 0.20 -3.33 0.00 -1.26 -4.43 105.19 100.80 1jkj n GLY 373 Ca 0.14 -1.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.19 1jkj n GLY 373 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jkj h LEU 374 N 0.00 -0.37 -0.69 0.99 5.85 -1.99 -1.23 115.31 117.88 1jkj h LEU 374 Ca 0.00 -0.12 0.13 0.00 0.84 0.00 0.00 57.88 58.73 1jkj h LEU 374 Cb 0.00 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.03 1jkj h LEU 374 CO 0.00 -0.08 0.23 0.74 -0.34 0.00 0.00 178.44 178.99 1jkj h THR 375 N -0.66 0.66 -0.56 1.05 2.02 -1.99 0.38 112.91 113.81 1jkj h THR 375 Ca -0.04 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 1jkj h THR 375 Cb 0.47 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 1jkj h THR 375 CO 0.07 0.07 0.34 -0.78 0.37 0.00 0.00 175.52 175.59 1jkj h ASP 376 N 0.38 0.66 -0.65 4.18 3.58 -1.75 -0.47 116.42 122.34 1jkj h ASP 376 Ca 0.37 -0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.73 1jkj h ASP 376 Cb 0.56 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.41 1jkj h ASP 376 CO -0.40 0.52 0.25 0.00 -2.88 0.00 0.00 179.24 176.73 1jkj h ALA 377 N 1.17 1.18 0.55 -0.78 0.00 0.06 0.13 119.26 121.58 1jkj h ALA 377 Ca 0.20 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1jkj h ALA 377 Cb -0.03 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.50 1jkj h ALA 377 CO -0.04 0.59 -0.27 0.00 0.00 0.00 0.00 179.25 179.53 1jkj h ALA 378 N 1.30 -0.74 -0.80 0.00 0.00 -0.31 -1.69 119.26 117.02 1jkj h ALA 378 Ca 0.23 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1jkj h ALA 378 Cb 0.21 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 1jkj h ALA 378 CO -0.02 -0.82 0.44 1.96 0.00 0.00 0.00 179.25 180.81 1jkj h GLN 379 N -0.93 0.70 -0.40 0.00 4.20 -0.83 -0.53 115.11 117.32 1jkj h GLN 379 Ca -0.08 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.53 1jkj h GLN 379 Cb 0.63 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1jkj h GLN 379 CO 0.12 0.46 0.01 1.96 -0.67 0.00 0.00 178.83 180.72 1jkj h GLN 380 N 0.72 0.70 0.00 1.46 4.20 -0.64 0.29 115.11 121.85 1jkj h GLN 380 Ca 0.40 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.82 1jkj h GLN 380 Cb 0.41 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1jkj h GLN 380 CO -0.27 0.78 -0.34 -0.39 -0.67 0.00 0.00 178.83 177.94 1jkj h VAL 381 N 0.53 1.15 0.06 -0.54 -1.51 -0.74 0.17 116.25 115.37 1jkj h VAL 381 Ca 0.11 -1.20 -0.00 0.00 -1.23 0.00 0.00 66.70 64.38 1jkj h VAL 381 Cb 0.46 1.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1jkj h VAL 381 CO 0.02 0.33 -0.03 0.58 -1.23 0.00 0.00 177.57 177.24 1jkj h VAL 382 N 0.00 1.19 -0.29 7.19 2.07 -0.71 -2.96 116.25 122.74 1jkj h VAL 382 Ca -0.00 -0.88 0.06 0.00 0.82 0.00 0.00 66.70 66.69 1jkj h VAL 382 Cb 0.64 1.77 -0.05 0.00 -1.52 0.00 0.00 31.29 32.12 1jkj h VAL 382 CO 0.04 0.22 -0.06 0.00 0.02 0.00 0.00 177.57 177.79 1jkj h ALA 383 N 0.43 0.20 0.00 1.67 0.00 -0.10 -1.67 119.26 119.79 1jkj h ALA 383 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1jkj h ALA 383 Cb 0.42 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1jkj h ALA 383 CO 0.01 -0.46 0.40 0.00 0.00 0.00 0.00 179.25 179.21 1jkj h ALA 384 N 1.28 1.36 -0.37 0.00 0.00 -0.51 0.37 119.26 121.40 1jkj h ALA 384 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1jkj h ALA 384 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1jkj h ALA 384 CO -0.29 -0.36 0.00 1.33 0.00 0.00 0.00 179.25 179.93 1jkj n VAL 385 N -2.54 1.43 -2.16 0.00 0.24 -0.63 -4.91 118.33 109.75 1jkj n VAL 385 Ca -0.01 -1.25 -0.42 0.00 -2.04 0.00 0.00 64.34 60.61 1jkj n VAL 385 Cb 0.44 0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 33.04 1jkj n VAL 385 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1jkj s GLU 386 N -1.57 4.22 -0.70 7.34 2.12 0.13 -2.86 118.70 127.38 1jkj s GLU 386 Ca 0.32 2.01 -0.03 0.00 0.36 0.00 0.00 54.97 57.62 1jkj s GLU 386 Cb 0.21 -3.79 0.00 0.00 0.26 0.00 0.00 34.13 30.80 1jkj s GLU 386 CO 0.15 -0.73 0.43 0.41 -0.54 0.00 0.00 175.26 174.99 1jkj n GLY 387 N 3.86 0.17 0.00 -1.50 0.00 -1.26 -5.10 105.19 101.36 1jkj n GLY 387 Ca 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1jkj n GLY 387 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60