#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkv s PHE 2 N 0.00 2.19 0.08 1.12 0.40 -1.26 -5.16 117.98 115.35 1jkv s PHE 2 Ca 0.00 -0.38 0.04 0.00 -0.60 0.00 0.00 56.93 55.99 1jkv s PHE 2 Cb 0.00 -1.04 -0.03 0.00 0.51 0.00 0.00 43.02 42.46 1jkv s PHE 2 CO 0.00 0.53 -0.11 0.15 0.70 0.00 0.00 175.22 176.49 1jkv s LYS 3 N -2.99 0.78 -0.03 0.44 -0.14 -1.26 -5.17 119.74 111.37 1jkv s LYS 3 Ca 0.23 -1.03 0.05 0.00 -1.36 0.00 0.00 55.97 53.86 1jkv s LYS 3 Cb -0.06 -0.56 -0.01 0.00 -1.68 0.00 0.00 37.83 35.52 1jkv s LYS 3 CO 0.11 0.10 -0.19 -1.58 -0.76 0.00 0.00 175.35 173.03 1jkv s HIS 4 N -1.94 1.79 0.04 3.18 5.65 -1.26 -5.14 115.29 117.60 1jkv s HIS 4 Ca 0.01 -0.43 0.05 0.00 0.25 0.00 0.00 55.06 54.93 1jkv s HIS 4 Cb -0.06 -1.18 -0.03 0.00 -1.18 0.00 0.00 32.58 30.13 1jkv s HIS 4 CO 0.01 -0.10 -0.09 -0.08 -0.65 0.00 0.00 174.74 173.82 1jkv s THR 5 N -0.22 3.43 0.23 0.89 -1.32 -1.26 -5.03 115.64 112.36 1jkv s THR 5 Ca 0.02 -0.97 0.33 0.00 -1.21 0.00 0.00 61.69 59.85 1jkv s THR 5 Cb -0.10 -2.51 0.36 0.00 -1.51 0.00 0.00 72.50 68.74 1jkv s THR 5 CO 0.01 0.31 2.02 0.03 -2.21 0.00 0.00 174.62 174.78 1jkv h ARG 6 N 4.29 0.00 -6.62 7.08 2.47 -2.08 -3.43 114.38 116.09 1jkv h ARG 6 Ca -0.48 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 57.71 1jkv h ARG 6 Cb 1.16 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 29.51 1jkv h ARG 6 CO 0.52 0.06 0.67 0.15 0.56 0.00 0.00 179.97 181.93 1jkv s LYS 7 N -3.80 4.37 0.59 0.04 1.02 -1.26 -5.01 119.74 115.69 1jkv s LYS 7 Ca -0.00 2.04 -0.16 0.00 0.02 0.00 0.00 55.97 57.86 1jkv s LYS 7 Cb 0.10 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 34.15 1jkv s LYS 7 CO 0.55 -0.31 1.07 -0.51 -0.92 0.00 0.00 175.35 175.23 1jkv s LEU 8 N 0.35 3.53 0.22 3.17 1.43 -1.26 -4.96 118.68 121.16 1jkv s LEU 8 Ca 0.59 1.89 -0.08 0.00 -1.03 0.00 0.00 54.13 55.50 1jkv s LEU 8 Cb -0.36 -4.54 0.24 0.00 0.03 0.00 0.00 46.19 41.56 1jkv s LEU 8 CO 0.35 -1.21 1.85 -0.61 0.23 0.00 0.00 176.35 176.95 1jkv h GLN 9 N 0.54 0.87 -3.59 1.70 4.15 -1.95 -3.45 115.11 113.38 1jkv h GLN 9 Ca -0.47 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 58.83 1jkv h GLN 9 Cb 1.23 -0.20 -0.13 0.00 0.21 0.00 0.00 27.48 28.59 1jkv h GLN 9 CO 0.57 0.58 -0.21 -0.47 -1.93 0.00 0.00 178.83 177.37 1jkv s TYR 10 N -6.10 -0.02 0.22 3.99 5.04 -1.26 -5.14 117.35 114.09 1jkv s TYR 10 Ca -0.13 -0.35 -0.30 0.00 -2.44 0.00 0.00 57.07 53.85 1jkv s TYR 10 Cb 0.16 0.11 -0.15 0.00 0.35 0.00 0.00 41.96 42.43 1jkv s TYR 10 CO 0.78 -0.64 1.02 0.09 -1.34 0.00 0.00 175.55 175.46 1jkv n ASN 11 N -0.16 1.01 -2.66 4.32 3.02 -1.26 -4.94 115.26 114.59 1jkv n ASN 11 Ca -0.15 1.16 -0.09 0.00 -0.03 0.00 0.00 54.58 55.47 1jkv n ASN 11 Cb 0.63 -1.21 0.04 0.00 -0.61 0.00 0.00 39.78 38.62 1jkv n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jkv n ALA 12 N 0.77 3.26 -3.69 5.41 0.00 -1.26 -4.36 120.51 120.64 1jkv n ALA 12 Ca 0.13 -3.00 -0.28 0.00 0.00 0.00 0.00 53.44 50.29 1jkv n ALA 12 Cb 0.28 -0.94 -0.17 0.00 0.00 0.00 0.00 19.45 18.62 1jkv n ALA 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1jkv s LYS 13 N -2.88 2.19 0.56 0.00 2.20 -1.26 -3.64 119.74 116.91 1jkv s LYS 13 Ca 0.27 -0.55 -0.13 0.00 -0.36 0.00 0.00 55.97 55.20 1jkv s LYS 13 Cb 0.46 -1.89 -0.06 0.00 -1.51 0.00 0.00 37.83 34.83 1jkv s LYS 13 CO 0.03 -0.08 0.99 -1.25 -0.36 0.00 0.00 175.35 174.68 1jkv s PRO 14 N 1.04 3.76 0.31 4.03 0.04 -1.26 -4.22 135.00 138.70 1jkv s PRO 14 Ca -0.06 0.81 0.08 0.00 0.04 0.00 0.00 61.00 61.87 1jkv s PRO 14 Cb -0.15 -2.13 0.52 0.00 0.04 0.00 0.00 34.50 32.79 1jkv s PRO 14 CO -0.02 -0.40 1.74 -0.44 0.04 0.00 0.00 177.00 177.92 1jkv h ASP 15 N 0.33 0.20 -5.19 6.66 3.32 -1.91 -3.47 116.42 116.36 1jkv h ASP 15 Ca -0.45 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 56.43 1jkv h ASP 15 Cb 1.19 -0.06 -0.13 0.00 0.22 0.00 0.00 39.33 40.55 1jkv h ASP 15 CO 0.62 0.57 -0.31 0.00 -1.72 0.00 0.00 179.24 178.40 1jkv s ARG 16 N -4.19 1.02 0.63 3.56 1.70 -1.26 -5.09 118.95 115.32 1jkv s ARG 16 Ca -0.04 -1.03 -0.16 0.00 -0.47 0.00 0.00 55.73 54.03 1jkv s ARG 16 Cb 0.14 0.38 -0.01 0.00 -0.57 0.00 0.00 34.95 34.88 1jkv s ARG 16 CO 0.76 -0.36 1.12 -1.54 -1.08 0.00 0.00 175.30 174.20 1jkv s SER 17 N -2.90 5.21 -0.35 -2.89 1.04 -1.26 -4.82 113.70 107.72 1jkv s SER 17 Ca 0.10 2.06 -0.02 0.00 0.48 0.00 0.00 55.95 58.57 1jkv s SER 17 Cb 0.04 -2.56 0.19 0.00 0.10 0.00 0.00 66.02 63.78 1jkv s SER 17 CO -0.06 -1.56 0.87 -0.62 0.98 0.00 0.00 173.24 172.85 1jkv s ASP 18 N -2.35 -0.85 0.30 7.02 -1.08 -0.20 -5.05 116.67 114.46 1jkv s ASP 18 Ca 0.69 -0.32 0.26 0.00 -0.52 0.00 0.00 52.55 52.65 1jkv s ASP 18 Cb -0.22 1.17 0.97 0.00 -1.46 0.00 0.00 42.92 43.39 1jkv s ASP 18 CO 0.38 -0.11 1.76 1.55 0.52 0.00 0.00 175.17 179.27 1jkv h PRO 19 N 6.38 0.00 -0.10 4.34 0.13 -1.91 -1.81 132.00 139.04 1jkv h PRO 19 Ca -0.01 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.94 1jkv h PRO 19 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 1jkv h PRO 19 CO -0.00 0.00 -0.63 0.82 -0.23 0.00 0.00 178.00 177.96 1jkv h ILE 20 N 0.00 1.34 -0.45 -3.56 1.08 -1.90 -2.36 117.51 111.66 1jkv h ILE 20 Ca 0.00 -1.93 -0.08 0.00 -0.39 0.00 0.00 64.86 62.47 1jkv h ILE 20 Cb 0.49 2.20 -0.02 0.00 -3.07 0.00 0.00 36.82 36.43 1jkv h ILE 20 CO 0.00 0.59 -0.03 -0.03 -0.69 0.00 0.00 178.15 177.98 1jkv h MET 21 N 0.22 0.77 -0.64 2.37 4.05 -1.86 -1.70 114.93 118.15 1jkv h MET 21 Ca -0.05 -0.22 0.05 0.00 -0.28 0.00 0.00 59.70 59.20 1jkv h MET 21 Cb 1.28 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.94 1jkv h MET 21 CO 0.13 0.80 0.36 0.00 0.23 0.00 0.00 176.91 178.42 1jkv h ALA 22 N 1.25 0.84 -0.63 0.39 0.00 -1.29 -0.95 119.26 118.87 1jkv h ALA 22 Ca 0.13 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1jkv h ALA 22 Cb 0.48 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1jkv h ALA 22 CO 0.02 0.04 0.30 -0.09 0.00 0.00 0.00 179.25 179.52 1jkv h ARG 23 N 0.67 0.92 -0.65 0.00 2.43 -0.96 -2.78 114.38 114.01 1jkv h ARG 23 Ca 0.28 -0.14 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1jkv h ARG 23 Cb 0.15 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 1jkv h ARG 23 CO -0.16 0.74 0.42 0.00 -1.51 0.00 0.00 179.97 179.46 1jkv h ARG 24 N 0.88 0.80 0.00 0.20 3.08 -0.77 -2.48 114.38 116.09 1jkv h ARG 24 Ca 0.22 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1jkv h ARG 24 Cb 0.13 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1jkv h ARG 24 CO -0.03 0.53 0.00 1.28 -1.07 0.00 0.00 179.97 180.69 1jkv n LEU 25 N -4.67 0.55 0.30 3.04 4.77 -0.41 -1.37 117.00 119.21 1jkv n LEU 25 Ca 0.06 0.67 0.17 0.00 -0.03 0.00 0.00 56.01 56.88 1jkv n LEU 25 Cb 0.06 -0.63 0.97 0.00 -2.33 0.00 0.00 43.42 41.49 1jkv n LEU 25 CO 0.34 -0.63 1.14 1.56 -1.33 0.00 0.00 177.39 178.47 1jkv h GLN 26 N 0.00 0.00 -0.84 3.23 1.08 -1.18 -1.18 115.11 116.22 1jkv h GLN 26 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1jkv h GLN 26 Cb 0.25 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.64 1jkv h GLN 26 CO 0.00 0.00 0.53 1.49 -0.95 0.00 0.00 178.83 179.90 1jkv h GLU 27 N 0.00 1.13 0.00 1.46 4.57 -1.39 0.72 114.58 121.07 1jkv h GLU 27 Ca 0.01 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1jkv h GLU 27 Cb 0.05 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.40 1jkv h GLU 27 CO -0.00 0.78 0.00 0.77 -1.18 0.00 0.00 179.01 179.38 1jkv h SER 28 N 1.15 0.00 0.00 1.04 0.02 -1.41 -1.28 113.55 113.06 1jkv h SER 28 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1jkv h SER 28 Cb -0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1jkv h SER 28 CO -0.06 0.00 -0.53 -0.11 -1.14 0.00 0.00 176.83 174.99 1jkv n LEU 29 N -3.00 1.52 -0.79 5.07 7.94 -1.03 -0.47 117.00 126.24 1jkv n LEU 29 Ca 0.03 0.49 0.08 0.00 -1.11 0.00 0.00 56.01 55.49 1jkv n LEU 29 Cb 0.41 -0.78 0.16 0.00 0.53 0.00 0.00 43.42 43.74 1jkv n LEU 29 CO 0.30 -0.43 0.61 0.61 -1.11 0.00 0.00 177.39 177.37 1jkv n GLY 30 N 1.59 1.69 3.93 -3.96 0.00 0.22 -3.63 105.19 105.03 1jkv n GLY 30 Ca -0.07 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 1jkv n GLY 30 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jkv s GLY 31 N -1.12 1.66 0.24 -0.02 0.00 -0.48 -3.67 107.32 103.94 1jkv s GLY 31 Ca 0.27 -0.85 -0.14 0.00 0.00 0.00 0.00 44.72 44.00 1jkv s GLY 31 CO 0.21 -0.49 1.56 -1.61 0.00 0.00 0.00 173.10 172.77 1jkv h GLN 32 N -0.42 -0.02 -0.36 2.90 4.15 -1.95 -2.32 115.11 117.08 1jkv h GLN 32 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.97 1jkv h GLN 32 Cb 1.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.99 1jkv h GLN 32 CO 0.60 -0.01 0.00 0.91 -1.93 0.00 0.00 178.83 178.40 1jkv n TRP 33 N -5.52 0.92 -1.24 3.99 7.02 -1.26 -4.78 117.44 116.57 1jkv n TRP 33 Ca 0.11 -0.71 -0.04 0.00 -1.02 0.00 0.00 57.50 55.85 1jkv n TRP 33 Cb 0.43 -0.22 0.03 0.00 -2.42 0.00 0.00 31.31 29.13 1jkv n TRP 33 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1jkv n GLY 34 N 0.12 -1.01 0.18 6.99 0.00 -0.87 -4.32 105.19 106.28 1jkv n GLY 34 Ca 0.19 -1.70 0.02 0.00 0.00 0.00 0.00 46.02 44.53 1jkv n GLY 34 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jkv h GLU 35 N 0.00 0.00 -0.51 1.61 4.39 -0.97 -1.92 114.58 117.18 1jkv h GLU 35 Ca -0.06 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.52 1jkv h GLU 35 Cb 0.18 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1jkv h GLU 35 CO 0.05 0.39 -0.16 1.15 -1.16 0.00 0.00 179.01 179.28 1jkv h THR 36 N 0.00 1.27 -0.45 1.13 2.02 -1.76 -0.08 112.91 115.04 1jkv h THR 36 Ca -0.00 -1.32 0.01 0.00 0.77 0.00 0.00 66.41 65.86 1jkv h THR 36 Cb 0.69 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 1jkv h THR 36 CO 0.05 0.46 0.30 0.74 0.37 0.00 0.00 175.52 177.44 1jkv h THR 37 N 0.87 1.11 0.07 3.16 2.02 -1.64 -0.88 112.91 117.62 1jkv h THR 37 Ca 0.12 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 1jkv h THR 37 Cb 0.73 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1jkv h THR 37 CO 0.06 0.11 -0.03 1.23 0.37 0.00 0.00 175.52 177.25 1jkv h GLY 38 N 0.60 -0.10 0.03 2.16 0.00 -1.15 -0.82 103.07 103.80 1jkv h GLY 38 Ca 0.17 0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.59 1jkv h GLY 38 CO -0.04 -0.03 -0.31 1.98 0.00 0.00 0.00 176.54 178.13 1jkv h MET 39 N -0.16 -0.31 -0.12 4.80 4.05 -0.90 -0.76 114.93 121.52 1jkv h MET 39 Ca -0.01 0.02 -0.16 0.00 -0.28 0.00 0.00 59.70 59.27 1jkv h MET 39 Cb 0.14 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 1jkv h MET 39 CO 0.02 -0.21 -0.62 0.52 0.23 0.00 0.00 176.91 176.84 1jkv h MET 40 N -0.33 0.43 -0.14 0.39 2.86 -1.16 -2.03 114.93 114.95 1jkv h MET 40 Ca 0.13 -0.30 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 1jkv h MET 40 Cb 0.53 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 1jkv h MET 40 CO -0.42 0.91 -0.00 0.77 1.06 0.00 0.00 176.91 179.23 1jkv h SER 41 N 0.31 0.24 -0.26 1.22 0.02 -0.96 -1.66 113.55 112.47 1jkv h SER 41 Ca -0.01 -0.31 -0.15 0.00 -0.84 0.00 0.00 61.79 60.48 1jkv h SER 41 Cb 1.16 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 1jkv h SER 41 CO 0.11 0.50 -0.43 1.88 -1.14 0.00 0.00 176.83 177.74 1jkv h TYR 42 N -0.02 0.94 -0.45 3.45 0.05 -1.13 -0.89 116.97 118.92 1jkv h TYR 42 Ca 0.04 -0.33 -0.01 0.00 0.05 0.00 0.00 58.73 58.49 1jkv h TYR 42 Cb 0.37 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 1jkv h TYR 42 CO 0.03 1.11 0.26 -0.07 -1.05 0.00 0.00 178.16 178.45 1jkv h LEU 43 N 0.50 0.55 -0.13 3.88 3.38 -1.45 0.08 115.31 122.12 1jkv h LEU 43 Ca 0.02 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1jkv h LEU 43 Cb 1.03 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1jkv h LEU 43 CO 0.10 0.46 0.07 0.28 0.09 0.00 0.00 178.44 179.44 1jkv h SER 44 N 0.59 0.11 -0.78 -0.43 0.02 -1.14 0.30 113.55 112.22 1jkv h SER 44 Ca 0.16 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1jkv h SER 44 Cb 0.03 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1jkv h SER 44 CO -0.03 0.08 0.32 1.56 -1.14 0.00 0.00 176.83 177.62 1jkv h GLN 45 N 0.15 1.17 -0.12 3.45 4.20 -1.08 -1.61 115.11 121.27 1jkv h GLN 45 Ca 0.05 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 1jkv h GLN 45 Cb 0.00 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 1jkv h GLN 45 CO -0.03 0.94 0.04 0.78 -0.67 0.00 0.00 178.83 179.89 1jkv h GLY 46 N 1.16 0.20 0.96 3.46 0.00 -0.64 -2.08 103.07 106.13 1jkv h GLY 46 Ca 0.26 -0.12 0.04 0.00 0.00 0.00 0.00 47.33 47.52 1jkv h GLY 46 CO -0.02 0.11 0.59 1.49 0.00 0.00 0.00 176.54 178.71 1jkv h TRP 47 N 0.02 1.08 -0.00 5.60 6.55 -0.88 -2.65 115.95 125.67 1jkv h TRP 47 Ca 0.04 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.91 1jkv h TRP 47 Cb 0.21 -0.36 0.00 0.00 -0.86 0.00 0.00 29.16 28.15 1jkv h TRP 47 CO -0.00 0.62 -0.02 0.00 -1.05 0.00 0.00 178.44 177.98 1jkv n ALA 48 N -2.40 2.53 -2.71 1.49 0.00 -0.61 -4.85 120.51 113.96 1jkv n ALA 48 Ca 0.12 -0.16 -0.40 0.00 0.00 0.00 0.00 53.44 53.00 1jkv n ALA 48 Cb 0.12 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.07 1jkv n ALA 48 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jkv s SER 49 N -2.59 7.07 0.00 0.00 0.15 -0.80 -4.92 113.70 112.61 1jkv s SER 49 Ca 0.27 1.29 0.15 0.00 0.70 0.00 0.00 55.95 58.37 1jkv s SER 49 Cb 0.20 -2.45 0.40 0.00 -1.71 0.00 0.00 66.02 62.47 1jkv s SER 49 CO 0.47 -0.14 1.33 0.35 1.20 0.00 0.00 173.24 176.44 1jkv n THR 50 N 3.79 0.90 -1.17 6.45 -2.24 -1.26 -5.02 114.28 115.73 1jkv n THR 50 Ca 0.00 -0.95 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 1jkv n THR 50 Cb 0.51 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1jkv n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jkv n GLY 51 N 0.93 1.91 3.66 3.38 0.00 -1.26 -5.03 105.19 108.79 1jkv n GLY 51 Ca 0.16 -1.92 -0.46 0.00 0.00 0.00 0.00 46.02 43.80 1jkv n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jkv n ALA 52 N -3.00 1.06 0.24 4.61 0.00 -1.26 -4.82 120.51 117.34 1jkv n ALA 52 Ca 0.00 0.44 0.07 0.00 0.00 0.00 0.00 53.44 53.94 1jkv n ALA 52 Cb 0.00 -2.29 0.58 0.00 0.00 0.00 0.00 19.45 17.74 1jkv n ALA 52 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1jkv h GLU 53 N 5.00 0.02 -0.68 0.00 4.39 -1.98 -1.94 114.58 119.38 1jkv h GLU 53 Ca -0.45 -0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.36 1jkv h GLU 53 Cb 1.27 -0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.83 1jkv h GLU 53 CO 0.82 0.08 0.27 -0.22 -1.16 0.00 0.00 179.01 178.79 1jkv h LYS 54 N 0.02 0.42 0.12 2.33 3.64 -1.99 -0.62 116.57 120.48 1jkv h LYS 54 Ca 0.00 -0.03 -0.34 0.00 -1.27 0.00 0.00 60.65 59.02 1jkv h LYS 54 Cb 0.11 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1jkv h LYS 54 CO 0.01 0.28 -1.78 1.88 -2.27 0.00 0.00 179.45 177.57 1jkv h TYR 55 N 0.44 0.45 -0.18 1.91 0.05 -1.80 -2.81 116.97 115.03 1jkv h TYR 55 Ca 0.36 -0.33 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1jkv h TYR 55 Cb 0.49 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 1jkv h TYR 55 CO -0.17 1.54 0.12 -0.22 -1.05 0.00 0.00 178.16 178.38 1jkv h LYS 56 N 0.07 0.23 -0.62 4.88 3.64 -1.27 -1.31 116.57 122.20 1jkv h LYS 56 Ca -0.34 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 58.95 1jkv h LYS 56 Cb 2.04 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.78 1jkv h LYS 56 CO 0.13 0.15 0.07 0.22 -2.27 0.00 0.00 179.45 177.76 1jkv h ASP 57 N 0.24 1.00 -0.58 4.20 3.58 -1.26 -2.11 116.42 121.49 1jkv h ASP 57 Ca 0.07 -0.27 0.08 0.00 0.42 0.00 0.00 57.03 57.33 1jkv h ASP 57 Cb -0.02 -0.27 -0.07 0.00 1.72 0.00 0.00 39.33 40.69 1jkv h ASP 57 CO -0.02 1.02 0.23 0.25 -2.88 0.00 0.00 179.24 177.84 1jkv h LEU 58 N 0.94 0.24 -0.45 2.28 5.85 -1.22 1.00 115.31 123.96 1jkv h LEU 58 Ca 0.18 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 1jkv h LEU 58 Cb 0.47 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1jkv h LEU 58 CO 0.02 0.15 0.16 -0.07 -0.34 0.00 0.00 178.44 178.36 1jkv h LEU 59 N 0.42 0.63 -0.52 2.25 3.38 -1.01 -0.87 115.31 119.59 1jkv h LEU 59 Ca 0.29 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 1jkv h LEU 59 Cb 0.33 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1jkv h LEU 59 CO -0.28 0.66 -0.36 -0.07 0.09 0.00 0.00 178.44 178.48 1jkv h LEU 60 N 0.58 0.86 -0.15 1.67 3.38 -1.05 0.90 115.31 121.50 1jkv h LEU 60 Ca 0.15 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.78 1jkv h LEU 60 Cb 0.24 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1jkv h LEU 60 CO -0.01 1.12 -0.06 0.44 0.09 0.00 0.00 178.44 180.02 1jkv h ASP 61 N 0.67 -0.21 -0.05 -0.43 3.32 -0.68 -2.13 116.42 116.91 1jkv h ASP 61 Ca 0.06 0.06 -0.23 0.00 0.02 0.00 0.00 57.03 56.94 1jkv h ASP 61 Cb 0.91 0.12 0.02 0.00 0.22 0.00 0.00 39.33 40.60 1jkv h ASP 61 CO 0.08 -0.09 -0.88 0.74 -1.72 0.00 0.00 179.24 177.38 1jkv h THR 62 N -0.04 1.30 -0.91 0.35 2.02 -1.01 -1.66 112.91 112.96 1jkv h THR 62 Ca 0.08 -2.12 0.06 0.00 0.77 0.00 0.00 66.41 65.20 1jkv h THR 62 Cb 0.16 2.30 -0.06 0.00 -1.74 0.00 0.00 68.15 68.81 1jkv h THR 62 CO -0.18 0.65 0.59 1.23 0.37 0.00 0.00 175.52 178.19 1jkv h GLY 63 N 0.34 1.33 1.00 2.16 0.00 -0.86 0.14 103.07 107.18 1jkv h GLY 63 Ca -0.10 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 46.73 1jkv h GLY 63 CO 0.17 0.32 -0.03 -0.84 0.00 0.00 0.00 176.54 176.17 1jkv h THR 64 N 1.06 1.27 -0.74 4.70 2.02 -1.28 -2.70 112.91 117.24 1jkv h THR 64 Ca 0.39 -1.11 0.04 0.00 0.77 0.00 0.00 66.41 66.50 1jkv h THR 64 Cb 0.16 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 1jkv h THR 64 CO -0.14 0.38 0.45 -0.08 0.37 0.00 0.00 175.52 176.51 1jkv h GLU 65 N 0.68 0.84 -0.06 6.66 4.81 -0.69 -2.45 114.58 124.36 1jkv h GLU 65 Ca 0.13 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1jkv h GLU 65 Cb 0.55 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 1jkv h GLU 65 CO 0.03 0.55 0.00 0.93 -0.73 0.00 0.00 179.01 179.80 1jkv h GLU 66 N 0.86 0.09 -0.74 1.92 4.39 -0.69 0.03 114.58 120.45 1jkv h GLU 66 Ca 0.31 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.02 1jkv h GLU 66 Cb 0.09 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 1jkv h GLU 66 CO -0.14 0.10 0.49 1.98 -1.16 0.00 0.00 179.01 180.28 1jkv h MET 67 N 0.09 0.94 -0.56 2.33 4.05 -1.13 0.48 114.93 121.13 1jkv h MET 67 Ca 0.02 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.34 1jkv h MET 67 Cb 0.06 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 30.62 1jkv h MET 67 CO 0.00 0.62 0.17 0.00 0.23 0.00 0.00 176.91 177.93 1jkv h ALA 68 N 1.55 1.25 -0.27 0.39 0.00 -0.98 -2.07 119.26 119.13 1jkv h ALA 68 Ca 0.28 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 1jkv h ALA 68 Cb -0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1jkv h ALA 68 CO -0.07 0.53 -0.53 0.45 0.00 0.00 0.00 179.25 179.63 1jkv h HIS 69 N 0.81 0.98 -0.51 0.00 -0.00 -0.82 -1.45 115.15 114.16 1jkv h HIS 69 Ca 0.18 -0.34 0.07 0.00 -0.00 0.00 0.00 60.37 60.29 1jkv h HIS 69 Cb 0.24 -0.19 -0.06 0.00 -0.00 0.00 0.00 27.41 27.40 1jkv h HIS 69 CO 0.01 1.14 0.17 0.28 -0.00 0.00 0.00 177.93 179.54 1jkv h VAL 70 N 0.61 0.81 -0.56 2.45 2.07 -0.77 -0.26 116.25 120.58 1jkv h VAL 70 Ca 0.02 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1jkv h VAL 70 Cb 1.12 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1jkv h VAL 70 CO 0.11 0.06 0.36 -0.08 0.02 0.00 0.00 177.57 178.05 1jkv h GLU 71 N 0.34 0.71 -0.12 1.57 4.81 -1.25 -1.32 114.58 119.33 1jkv h GLU 71 Ca 0.25 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1jkv h GLU 71 Cb 0.28 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1jkv h GLU 71 CO -0.26 0.47 0.06 0.52 -0.73 0.00 0.00 179.01 179.07 1jkv h MET 72 N 0.74 0.17 -0.61 1.92 2.86 -0.75 -1.35 114.93 117.90 1jkv h MET 72 Ca 0.21 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.80 1jkv h MET 72 Cb -0.05 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 1jkv h MET 72 CO -0.06 0.22 0.28 0.82 1.06 0.00 0.00 176.91 179.23 1jkv h ILE 73 N 0.07 1.22 -0.26 -1.22 1.08 -0.91 -0.36 117.51 117.13 1jkv h ILE 73 Ca 0.04 -0.65 0.05 0.00 -0.39 0.00 0.00 64.86 63.91 1jkv h ILE 73 Cb 0.11 0.51 -0.05 0.00 -3.07 0.00 0.00 36.82 34.33 1jkv h ILE 73 CO -0.01 0.26 -0.05 0.28 -0.69 0.00 0.00 178.15 177.94 1jkv h SER 74 N 0.84 -0.21 -0.31 1.72 0.02 -1.20 -0.68 113.55 113.73 1jkv h SER 74 Ca 0.21 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1jkv h SER 74 Cb 0.15 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1jkv h SER 74 CO -0.02 -0.07 0.19 0.74 -1.14 0.00 0.00 176.83 176.52 1jkv h THR 75 N 0.01 1.11 -0.50 -2.27 2.02 -0.96 -1.77 112.91 110.56 1jkv h THR 75 Ca 0.12 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1jkv h THR 75 Cb 0.18 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1jkv h THR 75 CO -0.25 0.11 0.33 -0.03 0.37 0.00 0.00 175.52 176.05 1jkv h MET 76 N 0.40 0.66 -0.59 6.66 -1.53 -0.78 -0.97 114.93 118.78 1jkv h MET 76 Ca 0.11 -0.04 0.03 0.00 -3.44 0.00 0.00 59.70 56.36 1jkv h MET 76 Cb 0.02 -0.15 -0.04 0.00 -0.55 0.00 0.00 31.60 30.88 1jkv h MET 76 CO -0.02 0.45 0.35 0.82 0.14 0.00 0.00 176.91 178.65 1jkv h ILE 77 N 0.67 1.06 -0.36 1.77 2.04 -0.94 -0.12 117.51 121.63 1jkv h ILE 77 Ca 0.18 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.82 1jkv h ILE 77 Cb -0.07 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 1jkv h ILE 77 CO -0.04 0.13 0.20 1.23 0.00 0.00 0.00 178.15 179.67 1jkv h GLY 78 N 0.70 0.50 1.00 5.37 0.00 -0.78 -1.33 103.07 108.52 1jkv h GLY 78 Ca 0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1jkv h GLY 78 CO -0.11 0.13 0.42 -0.97 0.00 0.00 0.00 176.54 176.01 1jkv h TYR 79 N 0.41 0.94 0.00 5.60 0.05 -0.96 -2.81 116.97 120.20 1jkv h TYR 79 Ca 0.15 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.90 1jkv h TYR 79 Cb 0.02 -0.31 -0.00 0.00 1.01 0.00 0.00 36.73 37.45 1jkv h TYR 79 CO -0.08 0.63 -0.09 -0.07 -1.05 0.00 0.00 178.16 177.50 1jkv h LEU 80 N 0.96 0.00 -0.24 3.88 3.38 -0.49 -2.27 115.31 120.53 1jkv h LEU 80 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1jkv h LEU 80 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1jkv h LEU 80 CO -0.05 0.09 -0.09 0.18 0.09 0.00 0.00 178.44 178.66 1jkv n LEU 81 N -3.51 0.47 -4.68 1.67 4.77 -0.55 -1.03 117.00 114.14 1jkv n LEU 81 Ca -0.02 -0.01 -0.45 0.00 -0.03 0.00 0.00 56.01 55.51 1jkv n LEU 81 Cb 0.23 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1jkv n LEU 81 CO 0.29 0.09 1.11 -0.62 -1.33 0.00 0.00 177.39 176.93 1jkv n GLU 82 N -0.92 2.16 -1.41 3.23 1.02 -0.85 -1.89 120.64 121.98 1jkv n GLU 82 Ca 0.15 0.77 -0.14 0.00 -0.02 0.00 0.00 57.16 57.92 1jkv n GLU 82 Cb 0.27 -2.49 -0.06 0.00 -0.02 0.00 0.00 31.44 29.14 1jkv n GLU 82 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1jkv n ASP 83 N 2.68 -5.24 -4.76 1.62 8.00 -1.26 -4.79 116.55 112.80 1jkv n ASP 83 Ca 0.13 0.35 -0.39 0.00 0.71 0.00 0.00 54.79 55.59 1jkv n ASP 83 Cb 0.31 -3.99 0.01 0.00 -0.02 0.00 0.00 41.12 37.43 1jkv n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jkv s ALA 84 N -2.35 3.15 0.35 2.24 0.00 -0.79 -4.95 121.76 119.40 1jkv s ALA 84 Ca 0.00 1.25 -0.27 0.00 0.00 0.00 0.00 51.96 52.95 1jkv s ALA 84 Cb 0.00 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.52 1jkv s ALA 84 CO 0.00 -0.96 1.09 -1.25 0.00 0.00 0.00 175.76 174.64 1jkv s PRO 85 N -2.45 4.35 0.00 0.00 0.04 -1.26 -4.94 135.00 130.75 1jkv s PRO 85 Ca 0.61 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1jkv s PRO 85 Cb -0.38 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1jkv s PRO 85 CO 0.48 -0.02 0.00 1.97 0.04 0.00 0.00 177.00 179.47 1jkv n PHE 86 N 0.52 0.00 -3.76 0.56 1.16 -1.26 -4.80 117.46 109.87 1jkv n PHE 86 Ca 0.02 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.51 1jkv n PHE 86 Cb 0.47 0.01 0.02 0.00 -1.61 0.00 0.00 39.48 38.36 1jkv n PHE 86 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1jkv n GLY 87 N 0.00 1.32 0.38 4.97 0.00 -1.26 -5.05 105.19 105.56 1jkv n GLY 87 Ca 0.00 -1.30 0.15 0.00 0.00 0.00 0.00 46.02 44.87 1jkv n GLY 87 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jkv h PRO 88 N 0.00 0.56 -0.74 1.61 0.11 -2.01 -1.40 132.00 130.12 1jkv h PRO 88 Ca -0.29 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.81 1jkv h PRO 88 Cb 1.08 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.03 1jkv h PRO 88 CO 0.37 0.37 0.49 1.49 -0.21 0.00 0.00 178.00 180.50 1jkv h GLU 89 N 0.57 0.91 -0.19 1.05 4.81 -1.99 -0.27 114.58 119.47 1jkv h GLU 89 Ca 0.46 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.46 1jkv h GLU 89 Cb 0.90 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 1jkv h GLU 89 CO -0.20 0.60 -0.57 -0.44 -0.73 0.00 0.00 179.01 177.67 1jkv h ASP 90 N 0.94 0.68 0.40 1.04 3.32 -1.66 -2.12 116.42 119.02 1jkv h ASP 90 Ca 0.29 -0.37 -0.12 0.00 0.02 0.00 0.00 57.03 56.84 1jkv h ASP 90 Cb -0.01 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1jkv h ASP 90 CO -0.07 1.11 -0.52 -0.07 -1.72 0.00 0.00 179.24 177.96 1jkv h LEU 91 N 0.46 0.15 -0.58 1.55 3.38 -1.23 -1.58 115.31 117.46 1jkv h LEU 91 Ca 0.00 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 1jkv h LEU 91 Cb 1.13 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1jkv h LEU 91 CO 0.11 0.65 -0.05 0.11 0.09 0.00 0.00 178.44 179.35 1jkv h LYS 92 N 0.11 1.06 -0.63 1.13 1.57 -0.95 -2.00 116.57 116.86 1jkv h LYS 92 Ca 0.00 -0.36 -0.09 0.00 -1.87 0.00 0.00 60.65 58.33 1jkv h LYS 92 Cb 0.96 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 1jkv h LYS 92 CO 0.08 1.06 0.05 -0.09 -0.57 0.00 0.00 179.45 179.97 1jkv h ARG 93 N 0.95 1.08 -1.50 3.15 2.43 -1.11 -3.41 114.38 115.96 1jkv h ARG 93 Ca 0.16 -0.31 -0.17 0.00 -0.81 0.00 0.00 59.98 58.84 1jkv h ARG 93 Cb 0.62 -0.11 -0.26 0.00 -0.42 0.00 0.00 29.97 29.80 1jkv h ARG 93 CO 0.04 1.02 -0.53 0.34 -1.51 0.00 0.00 179.97 179.33 1jkv s ASP 94 N -6.55 -0.14 0.62 -3.80 -1.08 -0.62 -5.03 116.67 100.06 1jkv s ASP 94 Ca -0.12 -0.67 0.32 0.00 -0.52 0.00 0.00 52.55 51.56 1jkv s ASP 94 Cb 0.14 1.30 1.81 0.00 -1.46 0.00 0.00 42.92 44.71 1jkv s ASP 94 CO 0.85 -0.28 2.12 -0.65 0.52 0.00 0.00 175.17 177.73 1jkv h PRO 95 N 7.63 0.00 0.00 4.34 0.11 -1.61 -1.44 132.00 141.02 1jkv h PRO 95 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1jkv h PRO 95 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1jkv h PRO 95 CO 0.20 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.65 1jkv h SER 96 N 0.00 0.00 0.13 -2.05 4.64 -1.94 -2.53 113.55 111.80 1jkv h SER 96 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1jkv h SER 96 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1jkv h SER 96 CO -0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1jkv n LEU 97 N -3.05 0.00 -0.20 5.97 4.77 -0.54 -2.34 117.00 121.60 1jkv n LEU 97 Ca 0.00 0.50 0.05 0.00 -0.03 0.00 0.00 56.01 56.52 1jkv n LEU 97 Cb 0.26 -0.50 0.32 0.00 -2.33 0.00 0.00 43.42 41.17 1jkv n LEU 97 CO 0.26 -0.43 1.22 0.00 -1.33 0.00 0.00 177.39 177.11 1jkv h ALA 98 N 2.13 1.63 -0.37 -1.18 0.00 -1.67 -0.89 119.26 118.91 1jkv h ALA 98 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1jkv h ALA 98 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1jkv h ALA 98 CO 0.00 0.28 -0.10 1.15 0.00 0.00 0.00 179.25 180.57 1jkv h THR 99 N 0.84 1.28 -0.20 0.00 2.02 -1.74 -1.30 112.91 113.82 1jkv h THR 99 Ca 0.31 -1.19 0.02 0.00 0.77 0.00 0.00 66.41 66.33 1jkv h THR 99 Cb 0.16 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1jkv h THR 99 CO -0.10 0.39 0.05 0.74 0.37 0.00 0.00 175.52 176.98 1jkv h THR 100 N 0.52 0.93 -0.71 3.16 2.02 -1.62 -2.62 112.91 114.58 1jkv h THR 100 Ca 0.09 -0.05 0.05 0.00 0.77 0.00 0.00 66.41 67.27 1jkv h THR 100 Cb 0.62 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.76 1jkv h THR 100 CO 0.04 0.03 0.42 0.24 0.37 0.00 0.00 175.52 176.62 1jkv h MET 101 N 0.14 0.77 -0.45 6.66 2.86 -1.00 -2.27 114.93 121.64 1jkv h MET 101 Ca 0.09 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1jkv h MET 101 Cb 0.07 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 1jkv h MET 101 CO -0.10 0.51 0.30 0.00 1.06 0.00 0.00 176.91 178.67 1jkv h ALA 102 N 1.34 1.73 -0.00 6.32 0.00 -0.88 -2.44 119.26 125.33 1jkv h ALA 102 Ca 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1jkv h ALA 102 Cb 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1jkv h ALA 102 CO -0.16 0.23 -0.29 0.41 0.00 0.00 0.00 179.25 179.45 1jkv n GLY 103 N -1.48 -1.10 3.83 0.00 0.00 -0.89 -4.96 105.19 100.60 1jkv n GLY 103 Ca 0.04 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 1jkv n GLY 103 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jkv s MET 104 N -2.79 2.77 -0.32 1.61 1.00 -0.92 -4.88 119.30 115.77 1jkv s MET 104 Ca 0.18 0.76 -0.29 0.00 0.00 0.00 0.00 55.69 56.34 1jkv s MET 104 Cb 0.19 -1.99 0.01 0.00 0.00 0.00 0.00 34.83 33.04 1jkv s MET 104 CO 0.59 -1.17 1.20 0.34 0.00 0.00 0.00 175.02 175.98 1jkv s ASP 105 N -3.96 6.78 0.55 3.03 -1.08 -1.26 -4.93 116.67 115.79 1jkv s ASP 105 Ca 0.58 1.11 0.27 0.00 -0.52 0.00 0.00 52.55 53.99 1jkv s ASP 105 Cb -0.13 -2.54 1.45 0.00 -1.46 0.00 0.00 42.92 40.24 1jkv s ASP 105 CO 0.54 -1.01 1.98 -0.65 0.52 0.00 0.00 175.17 176.56 1jkv h PRO 106 N 8.79 0.00 0.00 4.34 0.11 -1.95 -1.68 132.00 141.61 1jkv h PRO 106 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1jkv h PRO 106 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1jkv h PRO 106 CO 1.04 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.76 1jkv h GLU 107 N 0.00 0.00 -0.43 1.05 5.08 -1.97 -2.87 114.58 115.44 1jkv h GLU 107 Ca 0.24 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.66 1jkv h GLU 107 Cb 1.05 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.25 1jkv h GLU 107 CO -0.00 0.00 0.13 0.45 -1.00 0.00 0.00 179.01 178.59 1jkv h HIS 108 N 0.00 0.23 0.05 4.33 3.86 -1.60 -1.26 115.15 120.76 1jkv h HIS 108 Ca 0.00 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1jkv h HIS 108 Cb 0.82 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.25 1jkv h HIS 108 CO 0.00 0.07 -0.03 0.66 0.86 0.00 0.00 177.93 179.49 1jkv h SER 109 N 0.29 -0.06 -0.37 2.45 4.64 -1.74 0.32 113.55 119.08 1jkv h SER 109 Ca 0.21 -0.32 -0.02 0.00 -0.47 0.00 0.00 61.79 61.18 1jkv h SER 109 Cb 0.22 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 1jkv h SER 109 CO -0.23 0.57 0.15 0.25 -0.87 0.00 0.00 176.83 176.70 1jkv h LEU 110 N -0.99 0.51 0.08 5.97 5.85 -1.50 -1.82 115.31 123.41 1jkv h LEU 110 Ca -0.01 -0.17 -0.32 0.00 0.84 0.00 0.00 57.88 58.23 1jkv h LEU 110 Cb 0.38 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1jkv h LEU 110 CO 0.01 0.54 -1.73 0.52 -0.34 0.00 0.00 178.44 177.44 1jkv n VAL 111 N -4.67 1.70 0.71 1.05 0.31 -0.51 -4.64 118.33 112.27 1jkv n VAL 111 Ca -0.01 -0.43 0.08 0.00 -0.01 0.00 0.00 64.34 63.98 1jkv n VAL 111 Cb 0.14 -1.85 0.04 0.00 -0.91 0.00 0.00 33.84 31.26 1jkv n VAL 111 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1jkv n HIS 112 N -3.84 0.00 -3.07 3.52 8.25 -0.97 -5.00 115.22 114.11 1jkv n HIS 112 Ca -0.32 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.01 1jkv n HIS 112 Cb 0.91 0.00 0.04 0.00 1.12 0.00 0.00 29.99 32.07 1jkv n HIS 112 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jkv n GLY 113 N 1.03 0.10 3.37 -1.41 0.00 -0.68 -3.30 105.19 104.30 1jkv n GLY 113 Ca 0.09 -0.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 1jkv n GLY 113 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jkv n LEU 114 N -2.96 -4.67 -4.23 0.99 4.77 0.11 -4.96 117.00 106.05 1jkv n LEU 114 Ca -0.00 -0.69 -0.13 0.00 -0.03 0.00 0.00 56.01 55.16 1jkv n LEU 114 Cb 0.54 -3.12 -0.10 0.00 -2.33 0.00 0.00 43.42 38.41 1jkv n LEU 114 CO 0.35 0.26 -0.33 0.20 -1.33 0.00 0.00 177.39 176.55 1jkv s ASN 115 N -3.90 1.12 0.65 -1.43 0.01 -1.21 -4.84 114.94 105.35 1jkv s ASN 115 Ca 0.22 -1.18 -0.18 0.00 -0.71 0.00 0.00 52.86 51.01 1jkv s ASN 115 Cb -0.03 0.14 -0.01 0.00 0.41 0.00 0.00 41.25 41.75 1jkv s ASN 115 CO 0.74 -0.59 1.29 0.00 -1.51 0.00 0.00 177.10 177.03 1jkv s ALA 116 N -3.70 2.37 0.53 0.60 0.00 -1.26 -4.78 121.76 115.52 1jkv s ALA 116 Ca 0.24 1.19 0.09 0.00 0.00 0.00 0.00 51.96 53.48 1jkv s ALA 116 Cb 0.06 -3.54 0.06 0.00 0.00 0.00 0.00 23.12 19.70 1jkv s ALA 116 CO 0.04 -1.59 0.67 -1.54 0.00 0.00 0.00 175.76 173.34 1jkv s SER 117 N -1.44 5.14 -0.44 0.00 1.04 -1.26 -4.98 113.70 111.76 1jkv s SER 117 Ca 0.82 -0.81 0.04 0.00 0.48 0.00 0.00 55.95 56.48 1jkv s SER 117 Cb -0.37 0.08 0.51 0.00 0.10 0.00 0.00 66.02 66.35 1jkv s SER 117 CO 0.40 -1.16 1.68 -0.11 0.98 0.00 0.00 173.24 175.03 1jkv n LEU 118 N -2.06 5.93 -4.84 2.42 7.94 -1.26 -4.75 117.00 120.37 1jkv n LEU 118 Ca 0.11 -4.09 -0.23 0.00 -1.11 0.00 0.00 56.01 50.69 1jkv n LEU 118 Cb 0.61 -0.73 -0.04 0.00 0.53 0.00 0.00 43.42 43.79 1jkv n LEU 118 CO 0.40 1.45 -0.04 0.20 -1.11 0.00 0.00 177.39 178.28 1jkv s ASN 119 N -2.27 4.80 0.96 1.96 0.01 -1.26 -1.88 114.94 117.25 1jkv s ASN 119 Ca 0.55 -0.92 -0.12 0.00 -0.71 0.00 0.00 52.86 51.67 1jkv s ASN 119 Cb 0.45 -0.41 0.17 0.00 0.41 0.00 0.00 41.25 41.87 1jkv s ASN 119 CO 0.03 -0.68 1.02 -0.46 -1.51 0.00 0.00 177.10 175.49 1jkv n ASN 120 N -1.48 0.20 0.34 -1.22 0.23 -0.42 -3.63 115.26 109.28 1jkv n ASN 120 Ca 0.01 -1.44 0.23 0.00 -0.53 0.00 0.00 54.58 52.85 1jkv n ASN 120 Cb 0.63 -0.77 1.21 0.00 -2.08 0.00 0.00 39.78 38.77 1jkv n ASN 120 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 1jkv h PRO 121 N 0.00 0.00 -0.60 -0.53 0.11 -1.78 -1.79 132.00 127.41 1jkv h PRO 121 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1jkv h PRO 121 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1jkv h PRO 121 CO 0.24 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.12 1jkv n ASN 122 N -3.07 4.34 0.00 -2.05 3.02 -1.26 -4.89 115.26 111.35 1jkv n ASN 122 Ca -0.03 -2.36 0.00 0.00 -0.03 0.00 0.00 54.58 52.16 1jkv n ASN 122 Cb 0.09 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 1jkv n ASN 122 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jkv n GLY 123 N 1.02 0.51 3.68 7.41 0.00 -0.67 -5.00 105.19 112.14 1jkv n GLY 123 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1jkv n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jkv s ALA 124 N -2.14 3.45 0.32 4.61 0.00 -1.26 -4.77 121.76 121.96 1jkv s ALA 124 Ca 0.00 0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.88 1jkv s ALA 124 Cb 0.00 -3.32 -0.11 0.00 0.00 0.00 0.00 23.12 19.69 1jkv s ALA 124 CO 0.00 -0.60 1.55 0.00 0.00 0.00 0.00 175.76 176.71 1jkv s ALA 125 N 2.01 3.68 0.35 0.00 0.00 -1.26 -1.30 121.76 125.23 1jkv s ALA 125 Ca 0.43 1.56 -0.28 0.00 0.00 0.00 0.00 51.96 53.67 1jkv s ALA 125 Cb -0.17 -3.63 -0.12 0.00 0.00 0.00 0.00 23.12 19.20 1jkv s ALA 125 CO 0.15 -1.00 1.32 1.87 0.00 0.00 0.00 175.76 178.11 1jkv n TRP 126 N 1.57 2.38 -3.97 0.00 -0.00 -0.79 -4.89 117.44 111.75 1jkv n TRP 126 Ca 0.05 0.53 -0.08 0.00 -0.00 0.00 0.00 57.50 58.00 1jkv n TRP 126 Cb 0.38 -2.43 -0.09 0.00 -0.00 0.00 0.00 31.31 29.17 1jkv n TRP 126 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1jkv s ASN 127 N -0.30 0.27 0.37 5.87 2.20 -1.26 -5.04 114.94 117.05 1jkv s ASN 127 Ca 0.55 -0.70 0.27 0.00 -0.94 0.00 0.00 52.86 52.05 1jkv s ASN 127 Cb -0.55 0.23 1.26 0.00 -2.00 0.00 0.00 41.25 40.18 1jkv s ASN 127 CO 0.62 -0.55 1.81 0.00 -2.94 0.00 0.00 177.10 176.04 1jkv h ALA 128 N 3.44 1.00 0.00 3.54 0.00 -1.97 -2.01 119.26 123.26 1jkv h ALA 128 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1jkv h ALA 128 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1jkv h ALA 128 CO 0.55 0.00 0.00 0.78 0.00 0.00 0.00 179.25 180.58 1jkv h GLY 129 N 1.31 0.00 2.00 0.00 0.00 -2.00 -1.05 103.07 103.33 1jkv h GLY 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jkv h GLY 129 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 176.54 175.57 1jkv h TYR 130 N 0.00 0.00 -3.02 5.60 0.05 -1.71 -3.46 116.97 114.44 1jkv h TYR 130 Ca 0.00 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 58.17 1jkv h TYR 130 Cb 0.02 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 37.69 1jkv h TYR 130 CO 0.00 0.00 -0.27 0.08 -1.05 0.00 0.00 178.16 176.92 1jkv s VAL 131 N -3.29 5.18 -0.13 -2.88 1.01 -0.40 -5.00 120.40 114.90 1jkv s VAL 131 Ca 0.06 0.68 0.03 0.00 0.00 0.00 0.00 61.98 62.74 1jkv s VAL 131 Cb 0.10 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1jkv s VAL 131 CO 0.48 0.53 -0.21 -0.89 0.00 0.00 0.00 175.10 175.00 1jkv s THR 132 N -0.64 2.20 -0.28 3.92 2.01 -1.26 -5.06 115.64 116.53 1jkv s THR 132 Ca 0.21 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 61.25 1jkv s THR 132 Cb -0.15 -1.87 0.13 0.00 0.01 0.00 0.00 72.50 70.62 1jkv s THR 132 CO 0.10 0.55 0.29 -0.94 -0.69 0.00 0.00 174.62 173.93 1jkv s SER 133 N 0.60 1.65 0.03 3.53 1.04 -1.26 -4.78 113.70 114.50 1jkv s SER 133 Ca -0.12 -0.71 0.22 0.00 0.48 0.00 0.00 55.95 55.82 1jkv s SER 133 Cb -0.16 0.51 -0.19 0.00 0.10 0.00 0.00 66.02 66.27 1jkv s SER 133 CO 0.03 -0.38 0.73 -1.54 0.98 0.00 0.00 173.24 173.06 1jkv n SER 134 N 5.31 0.39 0.00 7.02 3.41 -1.26 -4.98 113.62 123.51 1jkv n SER 134 Ca -0.02 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1jkv n SER 134 Cb 0.47 1.38 0.00 0.00 -0.26 0.00 0.00 64.21 65.80 1jkv n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jkv n GLY 135 N 1.30 3.35 3.31 5.00 0.00 -1.26 -5.04 105.19 111.85 1jkv n GLY 135 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1jkv n GLY 135 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jkv s ASN 136 N -1.03 4.98 0.22 1.61 3.84 -1.26 -5.00 114.94 118.31 1jkv s ASN 136 Ca 0.00 -0.76 0.26 0.00 0.21 0.00 0.00 52.86 52.57 1jkv s ASN 136 Cb 0.00 -1.84 0.80 0.00 -0.55 0.00 0.00 41.25 39.66 1jkv s ASN 136 CO 0.00 -0.19 1.77 0.18 -2.79 0.00 0.00 177.10 176.07 1jkv n LEU 137 N 4.82 0.85 0.01 3.21 4.77 -1.26 -1.35 117.00 128.05 1jkv n LEU 137 Ca -0.15 0.58 -0.13 0.00 -0.03 0.00 0.00 56.01 56.29 1jkv n LEU 137 Cb 0.48 -0.32 -0.09 0.00 -2.33 0.00 0.00 43.42 41.16 1jkv n LEU 137 CO 0.30 -0.20 0.75 0.58 -1.33 0.00 0.00 177.39 177.50 1jkv h VAL 138 N 0.00 1.20 -0.14 4.08 2.07 -1.94 0.81 116.25 122.33 1jkv h VAL 138 Ca 0.00 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1jkv h VAL 138 Cb 0.74 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1jkv h VAL 138 CO 0.00 0.15 0.08 0.00 0.02 0.00 0.00 177.57 177.82 1jkv h ALA 139 N 0.74 0.18 0.00 1.67 0.00 -1.98 -3.03 119.26 116.84 1jkv h ALA 139 Ca -0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1jkv h ALA 139 Cb 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1jkv h ALA 139 CO 0.00 -0.28 -0.64 -0.44 0.00 0.00 0.00 179.25 177.89 1jkv h ASP 140 N 0.13 0.00 -0.24 0.00 3.32 -1.16 -1.26 116.42 117.22 1jkv h ASP 140 Ca 0.05 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 1jkv h ASP 140 Cb 0.07 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1jkv h ASP 140 CO -0.01 0.64 -0.11 0.24 -1.72 0.00 0.00 179.24 178.28 1jkv h MET 141 N 0.00 0.64 -0.50 3.56 2.86 -0.90 0.67 114.93 121.25 1jkv h MET 141 Ca -0.01 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1jkv h MET 141 Cb 1.30 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.87 1jkv h MET 141 CO 0.08 0.74 0.32 0.00 1.06 0.00 0.00 176.91 179.11 1jkv h ARG 142 N 0.58 0.62 -0.73 1.72 3.08 -1.33 -1.29 114.38 117.03 1jkv h ARG 142 Ca 0.10 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.18 1jkv h ARG 142 Cb 0.54 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.39 1jkv h ARG 142 CO 0.03 0.41 0.42 0.35 -1.07 0.00 0.00 179.97 180.12 1jkv h PHE 143 N 0.64 0.77 -0.63 3.04 3.57 -0.66 -1.70 116.94 121.98 1jkv h PHE 143 Ca 0.19 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.63 1jkv h PHE 143 Cb -0.04 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.44 1jkv h PHE 143 CO -0.05 0.37 0.04 -0.91 -2.23 0.00 0.00 178.31 175.53 1jkv h ASN 144 N 0.76 1.04 -0.61 0.41 2.35 -0.39 0.15 115.58 119.30 1jkv h ASN 144 Ca 0.33 -0.27 0.04 0.00 -0.55 0.00 0.00 56.30 55.84 1jkv h ASN 144 Cb 0.21 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 1jkv h ASN 144 CO -0.19 1.07 0.36 0.58 -1.65 0.00 0.00 177.43 177.59 1jkv h VAL 145 N 0.99 1.04 -0.53 2.81 2.07 -0.81 -1.85 116.25 119.96 1jkv h VAL 145 Ca 0.18 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1jkv h VAL 145 Cb 0.51 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1jkv h VAL 145 CO 0.02 0.13 0.28 0.58 0.02 0.00 0.00 177.57 178.60 1jkv h VAL 146 N 0.70 1.18 -0.62 2.57 2.07 -0.54 -0.89 116.25 120.72 1jkv h VAL 146 Ca 0.25 -0.48 0.06 0.00 0.82 0.00 0.00 66.70 67.35 1jkv h VAL 146 Cb 0.07 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 1jkv h VAL 146 CO -0.13 0.20 0.33 -0.09 0.02 0.00 0.00 177.57 177.90 1jkv h ARG 147 N 0.71 0.60 0.00 1.57 1.12 -0.42 0.37 114.38 118.33 1jkv h ARG 147 Ca 0.19 -0.04 -0.09 0.00 -1.11 0.00 0.00 59.98 58.93 1jkv h ARG 147 Cb 0.07 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 29.88 1jkv h ARG 147 CO -0.03 0.40 -0.42 0.93 -3.11 0.00 0.00 179.97 177.74 1jkv h GLU 148 N 0.62 0.00 -0.01 0.20 4.39 -1.13 -1.35 114.58 117.29 1jkv h GLU 148 Ca 0.28 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.94 1jkv h GLU 148 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1jkv h GLU 148 CO -0.18 0.42 -0.13 0.77 -1.16 0.00 0.00 179.01 178.74 1jkv h SER 149 N 0.00 0.13 -0.59 1.42 0.02 -0.29 -1.22 113.55 113.03 1jkv h SER 149 Ca -0.00 -0.73 -0.05 0.00 -0.84 0.00 0.00 61.79 60.16 1jkv h SER 149 Cb 0.94 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 1jkv h SER 149 CO 0.05 0.84 0.15 -0.33 -1.14 0.00 0.00 176.83 176.41 1jkv h GLU 150 N -0.58 0.93 -0.28 3.45 4.39 -0.96 -1.34 114.58 120.20 1jkv h GLU 150 Ca -0.01 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 1jkv h GLU 150 Cb 0.85 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1jkv h GLU 150 CO 0.03 0.86 0.15 0.00 -1.16 0.00 0.00 179.01 178.88 1jkv h ALA 151 N 1.04 0.36 0.00 3.43 0.00 -1.31 -2.18 119.26 120.59 1jkv h ALA 151 Ca 0.19 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1jkv h ALA 151 Cb 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1jkv h ALA 151 CO 0.00 -0.11 -0.42 -0.09 0.00 0.00 0.00 179.25 178.62 1jkv h ARG 152 N 0.33 0.00 -0.42 0.00 2.43 -1.10 0.10 114.38 115.72 1jkv h ARG 152 Ca 0.10 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1jkv h ARG 152 Cb 0.07 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1jkv h ARG 152 CO -0.02 0.42 0.27 1.25 -1.51 0.00 0.00 179.97 180.39 1jkv h LEU 153 N 0.00 0.46 -0.46 3.80 5.85 -1.12 -0.49 115.31 123.36 1jkv h LEU 153 Ca -0.00 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1jkv h LEU 153 Cb 0.75 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1jkv h LEU 153 CO 0.06 0.34 0.01 1.56 -0.34 0.00 0.00 178.44 180.06 1jkv h GLN 154 N 0.55 0.80 -0.79 1.25 4.20 -0.67 -1.17 115.11 119.28 1jkv h GLN 154 Ca 0.16 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 1jkv h GLN 154 Cb -0.05 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.62 1jkv h GLN 154 CO -0.04 0.85 0.42 0.28 -0.67 0.00 0.00 178.83 179.67 1jkv h VAL 155 N 0.65 1.24 -0.63 -0.54 2.07 -0.88 0.22 116.25 118.38 1jkv h VAL 155 Ca 0.13 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1jkv h VAL 155 Cb 0.48 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1jkv h VAL 155 CO 0.02 0.27 0.23 0.28 0.02 0.00 0.00 177.57 178.40 1jkv h SER 156 N 1.11 0.89 -0.39 0.57 0.02 -0.82 -1.30 113.55 113.62 1jkv h SER 156 Ca 0.28 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1jkv h SER 156 Cb 0.05 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 1jkv h SER 156 CO -0.04 0.83 0.22 0.03 -1.14 0.00 0.00 176.83 176.73 1jkv h ARG 157 N 0.89 0.55 -0.81 3.45 3.08 -0.67 -2.82 114.38 118.04 1jkv h ARG 157 Ca 0.21 -0.06 0.10 0.00 0.07 0.00 0.00 59.98 60.30 1jkv h ARG 157 Cb 0.23 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.12 1jkv h ARG 157 CO -0.01 0.44 0.53 -0.07 -1.07 0.00 0.00 179.97 179.79 1jkv h LEU 158 N 0.51 0.66 -1.29 3.04 3.38 -0.55 -0.90 115.31 120.15 1jkv h LEU 158 Ca 0.14 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.21 1jkv h LEU 158 Cb 0.05 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 1jkv h LEU 158 CO -0.02 0.38 0.53 0.22 0.09 0.00 0.00 178.44 179.64 1jkv h TYR 159 N 0.73 0.86 -0.20 1.13 5.03 -0.98 -0.10 116.97 123.44 1jkv h TYR 159 Ca 0.38 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.71 1jkv h TYR 159 Cb 0.49 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.49 1jkv h TYR 159 CO -0.00 0.44 0.00 0.43 -1.32 0.00 0.00 178.16 177.70 1jkv n SER 160 N -4.49 1.35 -0.63 -2.11 7.64 -0.37 -3.87 113.62 111.13 1jkv n SER 160 Ca 0.13 -1.82 0.06 0.00 1.01 0.00 0.00 58.87 58.25 1jkv n SER 160 Cb 0.25 -0.13 0.11 0.00 -1.01 0.00 0.00 64.21 63.44 1jkv n SER 160 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1jkv n MET 161 N 0.17 1.81 -3.85 1.43 2.81 -0.06 -4.98 117.12 114.45 1jkv n MET 161 Ca 0.12 -1.70 -0.10 0.00 -1.81 0.00 0.00 57.70 54.21 1jkv n MET 161 Cb 0.25 -1.28 -0.08 0.00 -0.71 0.00 0.00 33.22 31.40 1jkv n MET 161 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1jkv s THR 162 N -1.04 0.12 -0.73 2.03 -1.32 -1.20 -4.94 115.64 108.56 1jkv s THR 162 Ca 0.21 -0.96 0.07 0.00 -1.21 0.00 0.00 61.69 59.80 1jkv s THR 162 Cb 0.12 -1.02 0.14 0.00 -1.51 0.00 0.00 72.50 70.24 1jkv s THR 162 CO 0.17 -0.53 0.98 -0.62 -2.21 0.00 0.00 174.62 172.41 1jkv n GLU 163 N 0.50 1.67 -2.38 7.08 1.02 -1.26 -4.92 120.64 122.35 1jkv n GLU 163 Ca -0.18 -1.46 -0.43 0.00 -0.02 0.00 0.00 57.16 55.08 1jkv n GLU 163 Cb 0.60 -1.16 -0.02 0.00 -0.02 0.00 0.00 31.44 30.84 1jkv n GLU 163 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1jkv s ASP 164 N -0.83 6.88 0.46 1.62 -1.08 -1.26 -4.90 116.67 117.56 1jkv s ASP 164 Ca 0.12 1.69 0.24 0.00 -0.52 0.00 0.00 52.55 54.08 1jkv s ASP 164 Cb 0.07 -2.54 1.04 0.00 -1.46 0.00 0.00 42.92 40.03 1jkv s ASP 164 CO 0.10 -0.82 1.88 -0.33 0.52 0.00 0.00 175.17 176.52 1jkv h GLU 165 N 8.49 0.00 -0.18 4.34 4.39 -1.98 -0.30 114.58 129.35 1jkv h GLU 165 Ca -0.28 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.32 1jkv h GLU 165 Cb 1.11 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1jkv h GLU 165 CO 0.98 0.22 -0.30 0.78 -1.16 0.00 0.00 179.01 179.53 1jkv h GLY 166 N 1.72 0.57 0.97 -3.84 0.00 -1.91 -0.17 103.07 100.41 1jkv h GLY 166 Ca -0.00 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.68 1jkv h GLY 166 CO 0.03 0.58 0.12 -2.08 0.00 0.00 0.00 176.54 175.19 1jkv h VAL 167 N 0.17 1.08 -0.62 4.60 2.07 -1.67 -2.88 116.25 119.00 1jkv h VAL 167 Ca 0.01 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1jkv h VAL 167 Cb 0.88 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1jkv h VAL 167 CO 0.07 0.08 0.37 0.03 0.02 0.00 0.00 177.57 178.13 1jkv h ARG 168 N 0.24 0.84 -0.54 1.57 3.08 -0.99 -1.71 114.38 116.87 1jkv h ARG 168 Ca 0.07 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.08 1jkv h ARG 168 Cb 0.02 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 1jkv h ARG 168 CO -0.01 0.59 0.31 0.22 -1.07 0.00 0.00 179.97 180.01 1jkv h ASP 169 N 0.85 0.50 -0.32 7.04 3.58 -0.82 0.94 116.42 128.20 1jkv h ASP 169 Ca 0.22 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.68 1jkv h ASP 169 Cb -0.03 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 1jkv h ASP 169 CO -0.04 0.35 0.19 -0.03 -2.88 0.00 0.00 179.24 176.82 1jkv h MET 170 N 0.62 0.43 -0.59 0.28 4.05 -1.24 -2.70 114.93 115.79 1jkv h MET 170 Ca 0.22 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.57 1jkv h MET 170 Cb 0.05 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 30.73 1jkv h MET 170 CO -0.11 0.34 0.26 -0.07 0.23 0.00 0.00 176.91 177.57 1jkv h LEU 171 N 0.40 0.76 -1.23 3.39 3.38 -0.79 -1.55 115.31 119.67 1jkv h LEU 171 Ca 0.11 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1jkv h LEU 171 Cb 0.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1jkv h LEU 171 CO -0.02 0.66 0.08 0.11 0.09 0.00 0.00 178.44 179.37 1jkv h LYS 172 N 0.83 0.62 -0.05 1.13 1.57 -0.57 0.04 116.57 120.14 1jkv h LYS 172 Ca 0.20 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1jkv h LYS 172 Cb 0.12 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1jkv h LYS 172 CO -0.02 0.58 -0.00 0.35 -0.57 0.00 0.00 179.45 179.78 1jkv h PHE 173 N 0.60 0.09 -0.88 -1.35 3.57 -1.09 -2.98 116.94 114.89 1jkv h PHE 173 Ca 0.14 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1jkv h PHE 173 Cb 0.25 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 1jkv h PHE 173 CO 0.01 0.38 0.47 -0.07 -2.23 0.00 0.00 178.31 176.87 1jkv h LEU 174 N -0.23 1.12 -0.70 0.59 3.38 -0.95 -1.42 115.31 117.11 1jkv h LEU 174 Ca 0.01 -0.11 0.09 0.00 0.09 0.00 0.00 57.88 57.96 1jkv h LEU 174 Cb 0.35 -0.29 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 1jkv h LEU 174 CO 0.00 0.91 0.35 -0.07 0.09 0.00 0.00 178.44 179.73 1jkv h LEU 175 N 1.24 0.47 -0.49 1.67 3.38 -1.04 -0.19 115.31 120.36 1jkv h LEU 175 Ca 0.31 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.22 1jkv h LEU 175 Cb 0.06 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1jkv h LEU 175 CO -0.05 0.28 -0.11 0.00 0.09 0.00 0.00 178.44 178.65 1jkv h ALA 176 N 1.41 0.68 -0.44 1.53 0.00 -1.21 -1.12 119.26 120.10 1jkv h ALA 176 Ca 0.34 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1jkv h ALA 176 Cb 0.33 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1jkv h ALA 176 CO -0.25 0.59 -0.03 0.00 0.00 0.00 0.00 179.25 179.55 1jkv h ARG 177 N 0.80 0.75 0.00 0.00 2.47 -0.84 -1.70 114.38 115.86 1jkv h ARG 177 Ca 0.13 -0.21 -0.10 0.00 -1.26 0.00 0.00 59.98 58.54 1jkv h ARG 177 Cb 0.67 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.89 1jkv h ARG 177 CO 0.05 0.78 -0.46 0.93 0.56 0.00 0.00 179.97 181.83 1jkv h GLU 178 N 0.69 0.00 -0.11 0.04 5.08 -0.85 0.35 114.58 119.79 1jkv h GLU 178 Ca 0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1jkv h GLU 178 Cb 0.47 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1jkv h GLU 178 CO 0.02 0.46 0.05 1.15 -1.00 0.00 0.00 179.01 179.69 1jkv h THR 179 N 0.00 1.14 -0.44 1.13 2.02 -0.79 -0.15 112.91 115.81 1jkv h THR 179 Ca -0.00 -0.41 0.02 0.00 0.77 0.00 0.00 66.41 66.78 1jkv h THR 179 Cb 0.82 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 1jkv h THR 179 CO 0.06 0.12 0.26 -0.61 0.37 0.00 0.00 175.52 175.72 1jkv h GLN 180 N 0.03 0.51 -0.32 6.66 5.75 -0.96 -1.25 115.11 125.52 1jkv h GLN 180 Ca 0.04 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 1jkv h GLN 180 Cb 0.15 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 1jkv h GLN 180 CO -0.00 0.34 -0.01 0.45 -2.65 0.00 0.00 178.83 176.95 1jkv h HIS 181 N 0.52 0.63 -0.48 3.99 3.86 -0.86 0.65 115.15 123.46 1jkv h HIS 181 Ca 0.18 -0.11 0.10 0.00 -1.16 0.00 0.00 60.37 59.37 1jkv h HIS 181 Cb 0.01 -0.16 -0.09 0.00 1.06 0.00 0.00 27.41 28.23 1jkv h HIS 181 CO -0.07 0.70 -0.15 1.96 0.86 0.00 0.00 177.93 181.24 1jkv h GLN 182 N 0.37 -0.03 -0.39 2.45 4.20 -0.84 -1.55 115.11 119.31 1jkv h GLN 182 Ca 0.09 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 1jkv h GLN 182 Cb 0.46 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1jkv h GLN 182 CO 0.02 -0.02 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.00 1jkv h LEU 183 N -0.03 0.76 -0.63 1.46 3.38 -0.80 -0.65 115.31 118.79 1jkv h LEU 183 Ca 0.23 -0.36 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1jkv h LEU 183 Cb 0.39 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1jkv h LEU 183 CO -0.51 0.94 -0.08 0.06 0.09 0.00 0.00 178.44 178.94 1jkv h GLN 184 N 0.56 1.00 -0.07 1.13 3.07 -0.74 -1.08 115.11 118.97 1jkv h GLN 184 Ca 0.10 -0.35 -0.14 0.00 0.09 0.00 0.00 58.65 58.36 1jkv h GLN 184 Cb 0.61 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 28.08 1jkv h GLN 184 CO 0.04 1.02 -0.57 0.74 0.09 0.00 0.00 178.83 180.16 1jkv h PHE 185 N 0.89 0.29 -0.77 0.06 0.04 -1.22 -1.70 116.94 114.54 1jkv h PHE 185 Ca 0.15 -0.10 -0.06 0.00 2.80 0.00 0.00 57.97 60.76 1jkv h PHE 185 Cb 0.63 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.69 1jkv h PHE 185 CO 0.04 0.74 0.26 0.52 -0.60 0.00 0.00 178.31 179.27 1jkv h MET 186 N 0.17 1.18 -0.29 1.51 2.86 -0.85 0.09 114.93 119.61 1jkv h MET 186 Ca -0.00 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.37 1jkv h MET 186 Cb 1.05 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 1jkv h MET 186 CO 0.09 0.98 0.09 -0.22 1.06 0.00 0.00 176.91 178.91 1jkv h LYS 187 N 1.13 0.45 -0.40 1.72 1.63 -0.93 -0.16 116.57 120.02 1jkv h LYS 187 Ca 0.25 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1jkv h LYS 187 Cb 0.28 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.83 1jkv h LYS 187 CO -0.01 0.51 0.26 0.00 -3.45 0.00 0.00 179.45 176.76 1jkv h ALA 188 N 0.92 0.51 -0.37 5.00 0.00 -1.19 -1.48 119.26 122.65 1jkv h ALA 188 Ca 0.09 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1jkv h ALA 188 Cb 0.25 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 1jkv h ALA 188 CO -0.00 -0.03 -0.07 0.37 0.00 0.00 0.00 179.25 179.52 1jkv h GLN 189 N 0.54 0.02 -0.63 0.00 4.15 -0.71 -0.69 115.11 117.78 1jkv h GLN 189 Ca 0.15 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.53 1jkv h GLN 189 Cb -0.05 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 1jkv h GLN 189 CO -0.03 0.01 0.28 1.49 -1.93 0.00 0.00 178.83 178.65 1jkv h GLU 190 N 0.02 0.93 -0.63 1.69 4.81 -0.70 0.41 114.58 121.11 1jkv h GLU 190 Ca 0.18 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1jkv h GLU 190 Cb 0.27 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1jkv h GLU 190 CO -0.36 0.76 0.15 0.93 -0.73 0.00 0.00 179.01 179.76 1jkv h GLU 191 N 0.88 1.01 -0.20 1.92 5.08 -0.99 -1.75 114.58 120.54 1jkv h GLU 191 Ca 0.21 -0.25 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 1jkv h GLU 191 Cb 0.16 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1jkv h GLU 191 CO -0.02 0.92 -0.43 -0.07 -1.00 0.00 0.00 179.01 178.41 1jkv h LEU 192 N 0.93 0.50 -0.81 1.33 3.38 -0.81 -1.98 115.31 117.85 1jkv h LEU 192 Ca 0.20 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1jkv h LEU 192 Cb 0.37 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1jkv h LEU 192 CO 0.00 0.87 -0.06 -0.33 0.09 0.00 0.00 178.44 179.01 1jkv h GLU 193 N 0.39 0.83 -0.51 1.13 5.08 -0.74 -0.08 114.58 120.68 1jkv h GLU 193 Ca 0.03 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 1jkv h GLU 193 Cb 0.91 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1jkv h GLU 193 CO 0.08 0.88 0.02 1.49 -1.00 0.00 0.00 179.01 180.48 1jkv h GLU 194 N 0.76 0.84 -0.04 2.33 4.81 -1.02 -0.02 114.58 122.24 1jkv h GLU 194 Ca 0.14 -0.22 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 1jkv h GLU 194 Cb 0.55 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1jkv h GLU 194 CO 0.03 0.82 -0.22 -0.22 -0.73 0.00 0.00 179.01 178.70 1jkv h LYS 195 N 0.78 0.21 0.00 1.92 3.64 -1.05 -3.40 116.57 118.67 1jkv h LYS 195 Ca 0.15 -0.18 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 1jkv h LYS 195 Cb 0.44 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1jkv h LYS 195 CO 0.02 0.84 -1.80 0.66 -2.27 0.00 0.00 179.45 176.90 1jkv n TYR 196 N -4.54 0.00 0.00 1.91 4.01 -0.07 -5.11 117.16 113.36 1jkv n TYR 196 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1jkv n TYR 196 Cb 0.45 -0.47 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 1jkv n TYR 196 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jkv n GLY 197 N 1.78 3.75 0.22 2.72 0.00 -0.02 -4.09 105.19 109.54 1jkv n GLY 197 Ca -0.10 -1.73 0.12 0.00 0.00 0.00 0.00 46.02 44.31 1jkv n GLY 197 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1jkv h ILE 198 N 0.79 0.03 -2.92 -0.61 6.09 -1.94 -3.40 117.51 115.56 1jkv h ILE 198 Ca 0.00 -1.00 -0.63 0.00 -1.37 0.00 0.00 64.86 61.86 1jkv h ILE 198 Cb 0.00 1.97 -0.08 0.00 0.47 0.00 0.00 36.82 39.19 1jkv h ILE 198 CO 0.00 0.02 -0.39 -0.63 -3.07 0.00 0.00 178.15 174.08 1jkv s ILE 199 N -3.24 5.35 -0.18 2.19 -1.09 -1.26 -5.07 121.20 117.89 1jkv s ILE 199 Ca 0.06 0.42 -0.06 0.00 -2.23 0.00 0.00 60.65 58.84 1jkv s ILE 199 Cb 0.05 -3.52 -0.04 0.00 -1.58 0.00 0.00 42.46 37.37 1jkv s ILE 199 CO 0.66 0.55 0.03 -0.69 -1.23 0.00 0.00 174.94 174.26 1jkv s VAL 200 N -0.62 4.49 0.61 2.92 1.01 -1.26 -1.85 120.40 125.70 1jkv s VAL 200 Ca 0.17 -0.14 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 1jkv s VAL 200 Cb -0.13 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 1jkv s VAL 200 CO 0.06 0.46 1.04 -2.16 0.00 0.00 0.00 175.10 174.50 1jkv s PRO 201 N 0.43 3.33 0.00 2.72 0.05 -1.26 -5.06 135.00 135.21 1jkv s PRO 201 Ca 0.01 1.04 0.29 0.00 0.05 0.00 0.00 61.00 62.39 1jkv s PRO 201 Cb -0.13 -2.04 1.55 0.00 0.05 0.00 0.00 34.50 33.93 1jkv s PRO 201 CO 0.01 -0.79 2.02 0.41 0.05 0.00 0.00 177.00 178.71 1jkv n GLY 202 N -1.56 -0.70 1.04 0.56 0.00 -0.77 -4.13 105.19 99.64 1jkv n GLY 202 Ca 0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 1jkv n GLY 202 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jkv n ASP 203 N -0.63 2.50 -0.06 1.61 5.75 -1.26 -4.62 116.55 119.85 1jkv n ASP 203 Ca 0.21 -3.84 0.02 0.00 -0.01 0.00 0.00 54.79 51.16 1jkv n ASP 203 Cb 0.17 -0.57 0.02 0.00 -1.03 0.00 0.00 41.12 39.72 1jkv n ASP 203 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1jkv n MET 204 N -1.08 1.63 -0.28 0.11 2.81 -1.26 -4.83 117.12 114.22 1jkv n MET 204 Ca 0.29 -1.34 -0.05 0.00 -1.81 0.00 0.00 57.70 54.79 1jkv n MET 204 Cb 0.88 -0.89 0.09 0.00 -0.71 0.00 0.00 33.22 32.58 1jkv n MET 204 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1jkv h LYS 205 N 0.00 1.16 -0.24 0.03 1.63 -1.89 -1.97 116.57 115.29 1jkv h LYS 205 Ca 0.00 -0.20 -0.12 0.00 -0.85 0.00 0.00 60.65 59.47 1jkv h LYS 205 Cb 0.80 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.23 1jkv h LYS 205 CO 0.00 0.94 -0.37 0.93 -3.45 0.00 0.00 179.45 177.49 1jkv h GLU 206 N 1.13 0.53 -0.24 1.90 3.07 -1.97 -3.26 114.58 115.75 1jkv h GLU 206 Ca 0.26 -0.26 -0.16 0.00 -0.50 0.00 0.00 59.36 58.71 1jkv h GLU 206 Cb 0.21 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 1jkv h GLU 206 CO -0.02 0.83 -0.47 0.82 -1.40 0.00 0.00 179.01 178.76 1jkv h ILE 207 N 0.45 1.30 -4.25 3.13 2.04 -1.81 -3.46 117.51 114.91 1jkv h ILE 207 Ca 0.04 -1.68 -0.52 0.00 1.00 0.00 0.00 64.86 63.70 1jkv h ILE 207 Cb 0.85 1.76 0.16 0.00 -0.74 0.00 0.00 36.82 38.85 1jkv h ILE 207 CO 0.07 0.53 0.31 -1.83 0.00 0.00 0.00 178.15 177.24 1jkv s GLU 208 N -4.08 1.87 -1.02 2.37 -1.05 -0.78 -4.90 118.70 111.11 1jkv s GLU 208 Ca -0.12 1.47 -0.23 0.00 -0.15 0.00 0.00 54.97 55.94 1jkv s GLU 208 Cb 0.08 -1.83 0.05 0.00 -0.44 0.00 0.00 34.13 32.00 1jkv s GLU 208 CO 0.86 -1.98 1.44 -1.01 0.95 0.00 0.00 175.26 175.52 1jkv s HIS 209 N -2.53 2.56 0.59 4.83 3.76 -1.26 -4.86 115.29 118.38 1jkv s HIS 209 Ca 0.67 -0.88 0.28 0.00 -0.15 0.00 0.00 55.06 54.98 1jkv s HIS 209 Cb -0.22 -4.68 1.67 0.00 1.11 0.00 0.00 32.58 30.45 1jkv s HIS 209 CO 0.52 -1.92 2.12 0.77 -0.85 0.00 0.00 174.74 175.39 1jkv h SER 210 N 9.71 0.00 -0.01 1.40 0.02 -1.90 -1.88 113.55 120.88 1jkv h SER 210 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1jkv h SER 210 Cb 1.01 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.55 1jkv h SER 210 CO 1.42 0.00 0.03 1.05 -1.14 0.00 0.00 176.83 178.18 1jkv h GLU 211 N 0.00 0.00 -0.25 3.45 4.11 -2.00 -1.71 114.58 118.18 1jkv h GLU 211 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 1jkv h GLU 211 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1jkv h GLU 211 CO -0.00 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.27 1jkv n PHE 212 N -3.40 0.32 0.69 2.06 3.72 -0.71 -4.62 117.46 115.52 1jkv n PHE 212 Ca -0.03 -0.20 0.13 0.00 -0.05 0.00 0.00 57.45 57.31 1jkv n PHE 212 Cb 0.10 -0.00 0.46 0.00 -0.94 0.00 0.00 39.48 39.10 1jkv n PHE 212 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1jkv n SER 213 N 1.15 0.60 -0.30 4.37 3.41 -0.64 -3.81 113.62 118.40 1jkv n SER 213 Ca 0.15 0.56 0.04 0.00 -0.26 0.00 0.00 58.87 59.36 1jkv n SER 213 Cb 0.51 -0.72 0.06 0.00 -0.26 0.00 0.00 64.21 63.79 1jkv n SER 213 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1jkv n HIS 214 N -2.07 0.00 -3.52 7.33 8.25 -1.26 -5.05 115.22 118.90 1jkv n HIS 214 Ca 0.06 -0.42 -0.39 0.00 -0.26 0.00 0.00 57.72 56.71 1jkv n HIS 214 Cb 0.39 -0.09 -0.10 0.00 1.12 0.00 0.00 29.99 31.31 1jkv n HIS 214 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1jkv s VAL 215 N -1.20 5.27 -0.15 1.59 1.01 -1.25 -1.27 120.40 124.40 1jkv s VAL 215 Ca 0.13 0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 1jkv s VAL 215 Cb 0.11 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 1jkv s VAL 215 CO 0.01 0.15 1.17 -0.76 0.00 0.00 0.00 175.10 175.67 1jkv s LEU 216 N 1.84 4.19 -0.29 3.92 1.43 -0.01 -4.94 118.68 124.81 1jkv s LEU 216 Ca 0.09 1.62 -0.08 0.00 -1.03 0.00 0.00 54.13 54.73 1jkv s LEU 216 Cb -0.16 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 1jkv s LEU 216 CO 0.11 -0.67 0.10 -0.04 0.23 0.00 0.00 176.35 176.08 1jkv s MET 217 N 3.03 3.36 -1.29 1.70 -1.94 -1.26 -0.86 119.30 122.03 1jkv s MET 217 Ca 0.52 -0.69 -0.18 0.00 -1.71 0.00 0.00 55.69 53.63 1jkv s MET 217 Cb -0.20 -3.43 0.08 0.00 2.01 0.00 0.00 34.83 33.28 1jkv s MET 217 CO 0.14 -0.35 1.72 -1.71 -0.01 0.00 0.00 175.02 174.81 1jkv n ASN 218 N 4.93 4.96 0.15 3.03 5.15 -0.79 -4.80 115.26 127.88 1jkv n ASN 218 Ca -0.15 -2.92 0.12 0.00 -0.60 0.00 0.00 54.58 51.03 1jkv n ASN 218 Cb 0.49 -1.74 0.12 0.00 -0.53 0.00 0.00 39.78 38.12 1jkv n ASN 218 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1jkv h PHE 219 N 7.53 0.00 -3.67 1.20 0.04 -1.89 -3.42 116.94 116.73 1jkv h PHE 219 Ca 0.44 0.00 -0.69 0.00 2.80 0.00 0.00 57.97 60.53 1jkv h PHE 219 Cb 0.87 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 38.83 1jkv h PHE 219 CO 1.41 0.00 -0.69 0.45 -0.60 0.00 0.00 178.31 178.87 1jkv s SER 220 N -5.52 4.64 0.00 2.17 0.15 -1.26 -5.04 113.70 108.84 1jkv s SER 220 Ca 0.04 -0.03 0.20 0.00 0.70 0.00 0.00 55.95 56.86 1jkv s SER 220 Cb 0.08 -1.16 0.98 0.00 -1.71 0.00 0.00 66.02 64.21 1jkv s SER 220 CO 0.72 0.36 1.62 -0.90 1.20 0.00 0.00 173.24 176.24 1jkv n ASP 221 N 2.20 0.00 -4.68 5.45 5.75 -1.26 -4.68 116.55 119.33 1jkv n ASP 221 Ca -0.18 0.07 -0.34 0.00 -0.01 0.00 0.00 54.79 54.32 1jkv n ASP 221 Cb 0.53 -0.31 0.11 0.00 -1.03 0.00 0.00 41.12 40.42 1jkv n ASP 221 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jkv n GLY 222 N 0.41 -0.02 0.51 6.12 0.00 -1.26 -4.96 105.19 105.99 1jkv n GLY 222 Ca 0.09 -0.41 0.06 0.00 0.00 0.00 0.00 46.02 45.76 1jkv n GLY 222 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jkv n ASP 223 N -2.72 2.91 -0.26 1.61 5.68 -1.26 -4.73 116.55 117.78 1jkv n ASP 223 Ca 0.14 -2.36 0.04 0.00 -0.50 0.00 0.00 54.79 52.11 1jkv n ASP 223 Cb 0.50 -0.28 0.27 0.00 -1.14 0.00 0.00 41.12 40.47 1jkv n ASP 223 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1jkv h GLY 224 N 1.34 1.19 2.00 6.12 0.00 -1.95 -1.98 103.07 109.79 1jkv h GLY 224 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1jkv h GLY 224 CO 0.05 0.30 0.00 -1.14 0.00 0.00 0.00 176.54 175.75 1jkv n SER 225 N -4.48 0.19 0.31 0.19 3.41 -1.26 -2.16 113.62 109.82 1jkv n SER 225 Ca 0.12 0.55 0.18 0.00 -0.26 0.00 0.00 58.87 59.46 1jkv n SER 225 Cb 0.18 -0.59 0.98 0.00 -0.26 0.00 0.00 64.21 64.53 1jkv n SER 225 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1jkv h LYS 226 N 0.00 0.00 0.00 4.33 3.64 -1.72 -1.23 116.57 121.59 1jkv h LYS 226 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jkv h LYS 226 Cb 0.30 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1jkv h LYS 226 CO 0.00 0.03 -0.01 0.00 -2.27 0.00 0.00 179.45 177.19 1jkv h ALA 227 N 1.97 1.16 0.00 5.00 0.00 -1.63 -1.13 119.26 124.63 1jkv h ALA 227 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jkv h ALA 227 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1jkv h ALA 227 CO 0.00 0.01 0.00 0.74 0.00 0.00 0.00 179.25 180.01 1jkv h PHE 228 N 0.00 0.00 -2.69 0.00 0.04 -1.46 -3.44 116.94 109.39 1jkv h PHE 228 Ca -0.00 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.25 1jkv h PHE 228 Cb 0.08 0.00 0.06 0.00 2.20 0.00 0.00 35.95 38.28 1jkv h PHE 228 CO 0.00 0.00 0.99 -2.00 -0.60 0.00 0.00 178.31 176.70 1jkv s GLU 229 N -3.42 4.14 0.00 1.51 2.12 -0.43 -1.60 118.70 121.02 1jkv s GLU 229 Ca 0.04 2.57 0.00 0.00 0.36 0.00 0.00 54.97 57.94 1jkv s GLU 229 Cb 0.09 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.38 1jkv s GLU 229 CO 0.53 -0.73 0.00 0.41 -0.54 0.00 0.00 175.26 174.93 1jkv n GLY 230 N 3.95 2.41 3.79 -1.50 0.00 -0.27 -4.99 105.19 108.57 1jkv n GLY 230 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1jkv n GLY 230 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jkv s GLN 231 N -0.20 3.70 -0.28 1.61 -0.21 -0.62 -4.74 119.66 118.92 1jkv s GLN 231 Ca 0.00 1.48 -0.25 0.00 0.02 0.00 0.00 55.36 56.60 1jkv s GLN 231 Cb 0.00 -2.13 0.00 0.00 1.00 0.00 0.00 33.01 31.89 1jkv s GLN 231 CO 0.00 -0.54 0.87 0.08 -2.12 0.00 0.00 175.29 173.58 1jkv s VAL 232 N -1.86 4.76 0.92 1.09 1.01 -1.26 -1.29 120.40 123.77 1jkv s VAL 232 Ca 0.68 1.48 -0.12 0.00 0.00 0.00 0.00 61.98 64.02 1jkv s VAL 232 Cb -0.20 -4.19 0.14 0.00 0.00 0.00 0.00 36.38 32.14 1jkv s VAL 232 CO 0.24 -0.21 1.12 0.00 0.00 0.00 0.00 175.10 176.24 1jkv s ALA 233 N 3.04 1.59 0.10 5.51 0.00 0.25 -4.90 121.76 127.35 1jkv s ALA 233 Ca 0.36 -0.40 0.33 0.00 0.00 0.00 0.00 51.96 52.25 1jkv s ALA 233 Cb -0.14 -3.08 1.57 0.00 0.00 0.00 0.00 23.12 21.47 1jkv s ALA 233 CO 0.10 -2.37 1.99 -0.22 0.00 0.00 0.00 175.76 175.27 1jkv h LYS 234 N -1.55 0.00 -0.17 0.00 3.64 -1.97 -0.53 116.57 115.99 1jkv h LYS 234 Ca -0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1jkv h LYS 234 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1jkv h LYS 234 CO 0.60 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.38 1jkv n ASP 235 N -2.79 1.61 0.00 4.20 5.75 -1.26 -4.93 116.55 119.13 1jkv n ASP 235 Ca -0.00 -1.71 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 1jkv n ASP 235 Cb 0.18 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 1jkv n ASP 235 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jkv n GLY 236 N 1.11 0.64 3.70 6.12 0.00 -0.21 -5.06 105.19 111.49 1jkv n GLY 236 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1jkv n GLY 236 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jkv s GLU 237 N -0.78 2.88 0.42 1.61 2.12 -1.26 -4.81 118.70 118.89 1jkv s GLU 237 Ca 0.00 -0.54 -0.23 0.00 0.36 0.00 0.00 54.97 54.57 1jkv s GLU 237 Cb 0.00 -2.73 -0.09 0.00 0.26 0.00 0.00 34.13 31.57 1jkv s GLU 237 CO 0.00 0.65 1.04 0.15 -0.54 0.00 0.00 175.26 176.56 1jkv s LYS 238 N -1.41 4.07 0.22 4.30 1.02 -1.26 -0.58 119.74 126.09 1jkv s LYS 238 Ca 0.18 1.46 -0.30 0.00 0.02 0.00 0.00 55.97 57.34 1jkv s LYS 238 Cb -0.12 -2.41 -0.09 0.00 -0.52 0.00 0.00 37.83 34.70 1jkv s LYS 238 CO 0.09 -0.22 1.13 -0.06 -0.92 0.00 0.00 175.35 175.37 1jkv s PHE 239 N -1.76 3.54 0.50 3.18 0.08 -0.41 -4.86 117.98 118.25 1jkv s PHE 239 Ca 0.60 1.59 0.09 0.00 0.12 0.00 0.00 56.93 59.34 1jkv s PHE 239 Cb -0.20 -3.32 0.05 0.00 -0.57 0.00 0.00 43.02 38.97 1jkv s PHE 239 CO 0.25 -0.75 0.65 0.95 -0.10 0.00 0.00 175.22 176.23 1jkv s THR 240 N -0.57 2.51 -0.02 0.64 -4.23 -0.40 -1.12 115.64 112.45 1jkv s THR 240 Ca 0.48 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.95 1jkv s THR 240 Cb -0.31 -2.55 0.03 0.00 1.34 0.00 0.00 72.50 71.00 1jkv s THR 240 CO 0.38 0.00 0.02 -0.47 -0.54 0.00 0.00 174.62 174.01 1jkv s TYR 241 N -2.53 0.07 -0.28 3.99 5.04 -1.26 -0.83 117.35 121.55 1jkv s TYR 241 Ca 0.57 0.09 0.00 0.00 -2.44 0.00 0.00 57.07 55.29 1jkv s TYR 241 Cb -0.07 -0.23 0.05 0.00 0.35 0.00 0.00 41.96 42.06 1jkv s TYR 241 CO 0.35 -0.08 -0.05 -1.14 -1.34 0.00 0.00 175.55 173.28 1jkv s GLN 242 N 0.91 2.34 0.25 4.97 0.74 -0.04 -4.94 119.66 123.89 1jkv s GLN 242 Ca -0.08 -1.31 -0.05 0.00 0.05 0.00 0.00 55.36 53.97 1jkv s GLN 242 Cb -0.11 -3.04 0.29 0.00 1.10 0.00 0.00 33.01 31.24 1jkv s GLN 242 CO -0.02 -0.60 1.87 1.49 -0.55 0.00 0.00 175.29 177.47 1jkv h GLU 243 N 7.89 1.14 -2.83 1.67 4.57 -1.91 -2.09 114.58 123.01 1jkv h GLU 243 Ca -0.20 -0.14 -0.61 0.00 -1.18 0.00 0.00 59.36 57.23 1jkv h GLU 243 Cb 1.05 -0.22 -0.40 0.00 -0.16 0.00 0.00 28.75 29.02 1jkv h GLU 243 CO 0.50 0.86 -0.76 -0.80 -1.18 0.00 0.00 179.01 177.62 1jkv s ASN 244 N -6.33 3.33 0.46 1.04 0.01 -1.26 -4.60 114.94 107.60 1jkv s ASN 244 Ca -0.12 -3.04 -0.24 0.00 -0.71 0.00 0.00 52.86 48.75 1jkv s ASN 244 Cb 0.17 -1.01 -0.09 0.00 0.41 0.00 0.00 41.25 40.74 1jkv s ASN 244 CO 0.82 -0.20 1.19 -2.65 -1.51 0.00 0.00 177.10 174.75 1jkv n PRO 245 N 2.98 1.64 -4.35 -0.60 -0.02 -1.26 -4.97 135.00 128.41 1jkv n PRO 245 Ca 0.17 0.59 -0.35 0.00 -2.02 0.00 0.00 63.50 61.90 1jkv n PRO 245 Cb 0.38 -2.32 -0.09 0.00 -0.02 0.00 0.00 33.50 31.45 1jkv n PRO 245 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1jkv s GLU 246 N -2.34 2.96 -0.63 -0.52 -1.05 -1.26 -5.05 118.70 110.81 1jkv s GLU 246 Ca 0.65 -0.43 -0.28 0.00 -0.15 0.00 0.00 54.97 54.76 1jkv s GLU 246 Cb -0.49 -2.78 0.03 0.00 -0.44 0.00 0.00 34.13 30.45 1jkv s GLU 246 CO 0.55 0.69 1.22 0.00 0.95 0.00 0.00 175.26 178.68 1jkv s ALA 247 N -0.92 2.91 -1.57 -0.84 0.00 -1.26 -4.89 121.76 115.19 1jkv s ALA 247 Ca 0.14 -1.01 0.24 0.00 0.00 0.00 0.00 51.96 51.33 1jkv s ALA 247 Cb -0.11 -4.11 0.25 0.00 0.00 0.00 0.00 23.12 19.14 1jkv s ALA 247 CO 0.04 -2.88 1.24 -1.33 0.00 0.00 0.00 175.76 172.83 1jkv n MET 248 N 8.76 0.65 -0.12 0.00 0.00 -1.26 -4.71 117.12 120.44 1jkv n MET 248 Ca 0.07 -0.48 0.12 0.00 0.00 0.00 0.00 57.70 57.40 1jkv n MET 248 Cb 0.49 -1.49 0.17 0.00 0.00 0.00 0.00 33.22 32.39 1jkv n MET 248 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jkv n GLY 249 N 1.43 1.42 0.10 3.03 0.00 -1.26 -5.09 105.19 104.82 1jkv n GLY 249 Ca 0.08 -0.70 0.01 0.00 0.00 0.00 0.00 46.02 45.42 1jkv n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jkv n GLY 250 N 1.39 -1.78 3.60 -0.02 0.00 -1.26 -4.85 105.19 102.27 1jkv n GLY 250 Ca 0.17 -1.49 -0.39 0.00 0.00 0.00 0.00 46.02 44.31 1jkv n GLY 250 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jkv s ILE 251 N -1.78 5.20 0.53 -0.61 1.01 -1.26 -5.05 121.20 119.23 1jkv s ILE 251 Ca 0.00 0.50 -0.22 0.00 0.00 0.00 0.00 60.65 60.93 1jkv s ILE 251 Cb 0.00 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 1jkv s ILE 251 CO 0.00 0.18 1.31 -2.84 0.00 0.00 0.00 174.94 173.59 1jkv s PRO 252 N 2.00 3.29 -0.37 2.79 0.02 -1.26 -5.01 135.00 136.45 1jkv s PRO 252 Ca 0.14 2.12 0.03 0.00 0.02 0.00 0.00 61.00 63.30 1jkv s PRO 252 Cb -0.16 -2.29 0.15 0.00 0.02 0.00 0.00 34.50 32.22 1jkv s PRO 252 CO 0.10 -1.04 0.35 -1.01 -0.33 0.00 0.00 177.00 175.07 1jkv s HIS 253 N -1.36 -0.06 0.26 6.54 3.76 -1.26 -5.14 115.29 118.03 1jkv s HIS 253 Ca 0.70 -1.04 -0.13 0.00 -0.15 0.00 0.00 55.06 54.43 1jkv s HIS 253 Cb -0.37 -0.52 -0.08 0.00 1.11 0.00 0.00 32.58 32.72 1jkv s HIS 253 CO 0.44 -0.94 0.65 0.42 -0.85 0.00 0.00 174.74 174.46 1jkv s ILE 254 N 1.30 4.78 0.19 0.60 1.01 -1.26 -5.04 121.20 122.78 1jkv s ILE 254 Ca 0.18 0.79 -0.30 0.00 0.00 0.00 0.00 60.65 61.32 1jkv s ILE 254 Cb -0.17 -3.65 -0.08 0.00 0.01 0.00 0.00 42.46 38.58 1jkv s ILE 254 CO -0.02 -0.07 1.23 -0.75 0.00 0.00 0.00 174.94 175.33 1jkv s LYS 255 N -2.73 4.46 0.45 2.79 2.20 -1.26 -5.00 119.74 120.65 1jkv s LYS 255 Ca 0.49 1.93 -0.24 0.00 -0.36 0.00 0.00 55.97 57.79 1jkv s LYS 255 Cb -0.12 -3.22 -0.09 0.00 -1.51 0.00 0.00 37.83 32.89 1jkv s LYS 255 CO 0.19 -0.13 1.22 -2.30 -0.36 0.00 0.00 175.35 173.97 1jkv n PRO 256 N 2.48 1.74 -1.51 4.03 -0.02 -1.26 -4.98 135.00 135.47 1jkv n PRO 256 Ca 0.05 0.62 -0.30 0.00 -2.02 0.00 0.00 63.50 61.85 1jkv n PRO 256 Cb 0.44 -2.34 0.10 0.00 -0.02 0.00 0.00 33.50 31.68 1jkv n PRO 256 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1jkv s GLY 257 N -0.66 1.62 0.39 -1.23 0.00 -1.26 -5.01 107.32 101.17 1jkv s GLY 257 Ca 0.64 -0.22 -0.26 0.00 0.00 0.00 0.00 44.72 44.88 1jkv s GLY 257 CO 0.56 0.23 1.18 1.34 0.00 0.00 0.00 173.10 176.40 1jkv n ASP 258 N -3.51 2.12 0.16 1.64 -0.08 -1.26 -4.89 116.55 110.74 1jkv n ASP 258 Ca 0.07 1.11 0.18 0.00 -1.51 0.00 0.00 54.79 54.64 1jkv n ASP 258 Cb 0.56 -1.44 0.79 0.00 2.34 0.00 0.00 41.12 43.37 1jkv n ASP 258 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1jkv h PRO 259 N 2.02 0.00 0.00 -0.67 0.11 -2.00 -1.18 132.00 130.27 1jkv h PRO 259 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1jkv h PRO 259 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1jkv h PRO 259 CO 0.60 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.93 1jkv n ARG 260 N -3.90 0.14 0.09 1.05 1.74 -1.26 -1.62 116.66 112.90 1jkv n ARG 260 Ca 0.03 0.54 0.12 0.00 -0.77 0.00 0.00 57.85 57.77 1jkv n ARG 260 Cb 0.40 -1.87 0.20 0.00 -1.02 0.00 0.00 32.46 30.16 1jkv n ARG 260 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1jkv h LEU 261 N 0.00 0.00 -1.03 0.55 3.38 -1.56 -3.48 115.31 113.17 1jkv h LEU 261 Ca 0.00 -0.12 -0.42 0.00 0.09 0.00 0.00 57.88 57.43 1jkv h LEU 261 Cb 0.14 0.00 0.09 0.00 0.09 0.00 0.00 40.66 40.97 1jkv h LEU 261 CO 0.00 0.06 -0.72 1.41 0.09 0.00 0.00 178.44 179.28 1jkv n HIS 262 N -2.30 -2.60 -2.12 1.13 8.25 -0.64 -4.87 115.22 112.07 1jkv n HIS 262 Ca 0.03 0.97 -0.42 0.00 -0.26 0.00 0.00 57.72 58.04 1jkv n HIS 262 Cb 0.46 -4.71 0.00 0.00 1.12 0.00 0.00 29.99 26.86 1jkv n HIS 262 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jkv n ASN 263 N -2.98 4.42 -4.53 0.41 3.02 -1.26 -4.93 115.26 109.40 1jkv n ASN 263 Ca -0.03 -2.91 -0.42 0.00 -0.03 0.00 0.00 54.58 51.19 1jkv n ASN 263 Cb 0.57 -1.65 -0.03 0.00 -0.61 0.00 0.00 39.78 38.06 1jkv n ASN 263 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1jkv s HIS 264 N 2.95 2.50 -0.16 3.10 3.76 -1.26 -4.81 115.29 121.36 1jkv s HIS 264 Ca 0.47 -0.06 0.02 0.00 -0.15 0.00 0.00 55.06 55.34 1jkv s HIS 264 Cb 0.10 -4.46 0.04 0.00 1.11 0.00 0.00 32.58 29.37 1jkv s HIS 264 CO -0.03 -1.79 0.98 1.04 -0.85 0.00 0.00 174.74 174.09 1jkv n GLN 265 N 8.58 2.50 -0.58 1.40 6.02 -1.26 -5.29 117.38 128.75 1jkv n GLN 265 Ca 0.02 -1.46 0.00 0.00 -0.01 0.00 0.00 57.00 55.55 1jkv n GLN 265 Cb 0.48 -1.04 0.00 0.00 1.02 0.00 0.00 30.24 30.70 1jkv n GLN 265 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46