#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 2.30 0.09 1.12 0.40 -1.26 -5.16 117.98 115.48 1jkv s PHE 2 Ca 0.00 -0.34 0.04 0.00 -0.60 0.00 0.00 56.93 56.03 1jkv s PHE 2 Cb 0.00 -1.06 -0.03 0.00 0.51 0.00 0.00 43.02 42.44 1jkv s PHE 2 CO 0.00 0.62 -0.11 0.15 0.70 0.00 0.00 175.22 176.58 1jkv s LYS 3 N -3.13 0.85 0.00 0.44 -0.14 -1.26 -5.17 119.74 111.32 1jkv s LYS 3 Ca 0.26 -1.13 0.06 0.00 -1.36 0.00 0.00 55.97 53.80 1jkv s LYS 3 Cb -0.06 -0.58 -0.02 0.00 -1.68 0.00 0.00 37.83 35.49 1jkv s LYS 3 CO 0.13 0.10 -0.19 -1.58 -0.76 0.00 0.00 175.35 173.05 1jkv s HIS 4 N -2.27 1.68 -0.00 3.18 5.65 -1.26 -5.14 115.29 117.13 1jkv s HIS 4 Ca 0.04 -0.33 0.05 0.00 0.25 0.00 0.00 55.06 55.08 1jkv s HIS 4 Cb -0.04 -1.06 -0.03 0.00 -1.18 0.00 0.00 32.58 30.27 1jkv s HIS 4 CO 0.01 -0.00 -0.16 -0.08 -0.65 0.00 0.00 174.74 173.85 1jkv s THR 5 N -0.53 2.92 0.39 0.89 -1.32 -1.26 -5.04 115.64 111.69 1jkv s THR 5 Ca 0.07 -0.96 0.28 0.00 -1.21 0.00 0.00 61.69 59.88 1jkv s THR 5 Cb -0.08 -2.18 0.30 0.00 -1.51 0.00 0.00 72.50 69.03 1jkv s THR 5 CO -0.00 0.46 2.06 0.03 -2.21 0.00 0.00 174.62 174.97 1jkv h ARG 6 N 4.93 0.00 -6.67 7.08 2.47 -2.08 -3.43 114.38 116.68 1jkv h ARG 6 Ca -0.47 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 57.73 1jkv h ARG 6 Cb 1.15 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 29.51 1jkv h ARG 6 CO 0.49 0.11 0.66 0.15 0.56 0.00 0.00 179.97 181.95 1jkv s LYS 7 N -4.12 4.37 0.58 0.04 1.02 -1.26 -5.01 119.74 115.36 1jkv s LYS 7 Ca -0.02 2.07 -0.17 0.00 0.02 0.00 0.00 55.97 57.86 1jkv s LYS 7 Cb 0.13 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 34.20 1jkv s LYS 7 CO 0.58 -0.28 1.08 -0.51 -0.92 0.00 0.00 175.35 175.30 1jkv s LEU 8 N 0.01 3.59 0.19 3.17 1.43 -1.26 -4.96 118.68 120.85 1jkv s LEU 8 Ca 0.58 1.96 -0.11 0.00 -1.03 0.00 0.00 54.13 55.52 1jkv s LEU 8 Cb -0.37 -4.55 0.18 0.00 0.03 0.00 0.00 46.19 41.48 1jkv s LEU 8 CO 0.38 -1.22 1.80 -0.61 0.23 0.00 0.00 176.35 176.92 1jkv h GLN 9 N 0.70 0.57 -3.77 1.70 4.15 -1.95 -3.45 115.11 113.06 1jkv h GLN 9 Ca -0.48 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 58.82 1jkv h GLN 9 Cb 1.24 -0.13 -0.14 0.00 0.21 0.00 0.00 27.48 28.66 1jkv h GLN 9 CO 0.57 0.37 -0.34 -0.47 -1.93 0.00 0.00 178.83 177.03 1jkv s TYR 10 N -6.12 0.12 0.21 3.99 5.04 -1.26 -5.14 117.35 114.19 1jkv s TYR 10 Ca -0.13 -0.54 -0.30 0.00 -2.44 0.00 0.00 57.07 53.66 1jkv s TYR 10 Cb 0.15 -0.03 -0.16 0.00 0.35 0.00 0.00 41.96 42.27 1jkv s TYR 10 CO 0.75 -0.56 0.86 0.09 -1.34 0.00 0.00 175.55 175.34 1jkv n ASN 11 N -0.08 0.22 -2.74 4.32 3.02 -1.26 -4.93 115.26 113.80 1jkv n ASN 11 Ca -0.15 1.15 -0.04 0.00 -0.03 0.00 0.00 54.58 55.51 1jkv n ASN 11 Cb 0.63 -1.11 0.07 0.00 -0.61 0.00 0.00 39.78 38.75 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 0.51 2.72 -3.51 5.41 0.00 -1.26 -4.40 120.51 119.98 1jkv n ALA 12 Ca 0.15 -2.40 -0.30 0.00 0.00 0.00 0.00 53.44 50.88 1jkv n ALA 12 Cb 0.26 -0.91 -0.17 0.00 0.00 0.00 0.00 19.45 18.64 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 -2.44 2.62 0.55 0.00 2.20 -1.26 -3.50 119.74 117.91 1jkv s LYS 13 Ca 0.23 -0.72 -0.10 0.00 -0.36 0.00 0.00 55.97 55.02 1jkv s LYS 13 Cb 0.40 -2.10 -0.05 0.00 -1.51 0.00 0.00 37.83 34.57 1jkv s LYS 13 CO -0.04 0.03 0.94 -1.25 -0.36 0.00 0.00 175.35 174.67 1jkv s PRO 14 N 0.72 3.65 0.26 4.03 0.04 -1.26 -4.27 135.00 138.16 1jkv s PRO 14 Ca -0.11 0.61 0.05 0.00 0.04 0.00 0.00 61.00 61.59 1jkv s PRO 14 Cb -0.16 -2.19 0.33 0.00 0.04 0.00 0.00 34.50 32.52 1jkv s PRO 14 CO 0.02 -0.39 1.62 -0.44 0.04 0.00 0.00 177.00 177.85 1jkv h ASP 15 N 0.13 0.27 -5.08 6.66 3.32 -1.91 -3.46 116.42 116.35 1jkv h ASP 15 Ca -0.45 -0.14 -0.14 0.00 0.02 0.00 0.00 57.03 56.31 1jkv h ASP 15 Cb 1.19 -0.08 -0.18 0.00 0.22 0.00 0.00 39.33 40.48 1jkv h ASP 15 CO 0.62 0.75 -0.64 -0.13 -1.72 0.00 0.00 179.24 178.12 1jkv s ARG 16 N -3.93 0.47 0.62 3.56 0.52 -1.26 -5.08 118.95 113.85 1jkv s ARG 16 Ca -0.04 -0.80 -0.16 0.00 -0.52 0.00 0.00 55.73 54.20 1jkv s ARG 16 Cb 0.13 0.17 -0.02 0.00 0.52 0.00 0.00 34.95 35.75 1jkv s ARG 16 CO 0.79 -0.09 1.10 -1.54 0.02 0.00 0.00 175.30 175.57 1jkv s SER 17 N -2.02 5.39 -0.32 0.23 1.04 -1.26 -4.83 113.70 111.92 1jkv s SER 17 Ca -0.07 1.99 -0.04 0.00 0.48 0.00 0.00 55.95 58.31 1jkv s SER 17 Cb -0.03 -2.55 0.19 0.00 0.10 0.00 0.00 66.02 63.73 1jkv s SER 17 CO -0.04 -1.44 0.89 -0.62 0.98 0.00 0.00 173.24 173.01 1jkv s ASP 18 N -2.46 -0.80 0.27 7.02 -1.08 -0.32 -5.05 116.67 114.25 1jkv s ASP 18 Ca 0.67 -0.10 0.25 0.00 -0.52 0.00 0.00 52.55 52.86 1jkv s ASP 18 Cb -0.20 1.31 0.92 0.00 -1.46 0.00 0.00 42.92 43.49 1jkv s ASP 18 CO 0.37 -0.12 1.75 1.55 0.52 0.00 0.00 175.17 179.24 1jkv h PRO 19 N 6.90 0.00 -0.09 4.34 0.13 -1.92 -1.67 132.00 139.69 1jkv h PRO 19 Ca -0.04 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.91 1jkv h PRO 19 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 1jkv h PRO 19 CO -0.01 0.00 -0.64 0.82 -0.23 0.00 0.00 178.00 177.93 1jkv h ILE 20 N 0.00 1.34 -0.23 -3.56 1.08 -1.90 -2.21 117.51 112.03 1jkv h ILE 20 Ca 0.00 -1.94 -0.09 0.00 -0.39 0.00 0.00 64.86 62.44 1jkv h ILE 20 Cb 0.54 2.22 -0.01 0.00 -3.07 0.00 0.00 36.82 36.49 1jkv h ILE 20 CO 0.00 0.59 -0.25 -0.03 -0.69 0.00 0.00 178.15 177.78 1jkv h MET 21 N 0.22 0.43 -0.47 2.37 4.05 -1.86 -1.66 114.93 118.02 1jkv h MET 21 Ca -0.06 -0.16 0.02 0.00 -0.28 0.00 0.00 59.70 59.23 1jkv h MET 21 Cb 1.30 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 32.04 1jkv h MET 21 CO 0.13 0.65 0.28 0.00 0.23 0.00 0.00 176.91 178.20 1jkv h ALA 22 N 1.36 0.60 -0.73 0.39 0.00 -1.25 -0.87 119.26 118.76 1jkv h ALA 22 Ca 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1jkv h ALA 22 Cb 0.64 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1jkv h ALA 22 CO 0.05 -0.04 0.44 -0.09 0.00 0.00 0.00 179.25 179.60 1jkv h ARG 23 N 0.55 0.99 -0.64 0.00 2.43 -1.00 -2.66 114.38 114.05 1jkv h ARG 23 Ca 0.19 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1jkv h ARG 23 Cb 0.03 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 1jkv h ARG 23 CO -0.09 0.70 0.34 0.00 -1.51 0.00 0.00 179.97 179.41 1jkv h ARG 24 N 0.99 0.90 0.00 0.20 3.08 -0.71 -2.49 114.38 116.34 1jkv h ARG 24 Ca 0.26 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1jkv h ARG 24 Cb -0.03 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.85 1jkv h ARG 24 CO -0.05 0.68 0.00 1.28 -1.07 0.00 0.00 179.97 180.82 1jkv n LEU 25 N -4.53 0.62 0.21 3.04 4.77 -0.39 -1.47 117.00 119.25 1jkv n LEU 25 Ca 0.05 0.69 0.17 0.00 -0.03 0.00 0.00 56.01 56.88 1jkv n LEU 25 Cb 0.09 -0.64 0.82 0.00 -2.33 0.00 0.00 43.42 41.37 1jkv n LEU 25 CO 0.37 -0.66 1.14 1.56 -1.33 0.00 0.00 177.39 178.48 1jkv h GLN 26 N 0.00 0.00 -0.73 3.23 1.08 -1.11 -1.42 115.11 116.16 1jkv h GLN 26 Ca 0.00 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.22 1jkv h GLN 26 Cb 0.26 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.65 1jkv h GLN 26 CO 0.00 0.00 0.48 1.49 -0.95 0.00 0.00 178.83 179.85 1jkv h GLU 27 N 0.00 0.94 0.00 1.46 4.57 -1.42 0.37 114.58 120.50 1jkv h GLU 27 Ca 0.08 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 1jkv h GLU 27 Cb 0.43 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1jkv h GLU 27 CO -0.00 0.62 -0.08 0.77 -1.18 0.00 0.00 179.01 179.14 1jkv h SER 28 N 0.96 0.00 0.00 1.04 0.02 -1.46 -1.04 113.55 113.08 1jkv h SER 28 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1jkv h SER 28 Cb -0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1jkv h SER 28 CO -0.08 0.08 -0.54 -0.11 -1.14 0.00 0.00 176.83 175.04 1jkv n LEU 29 N -3.18 1.62 -0.77 5.07 7.94 -1.02 -0.41 117.00 126.24 1jkv n LEU 29 Ca 0.01 0.53 0.08 0.00 -1.11 0.00 0.00 56.01 55.52 1jkv n LEU 29 Cb 0.40 -0.80 0.15 0.00 0.53 0.00 0.00 43.42 43.69 1jkv n LEU 29 CO 0.31 -0.44 0.60 0.61 -1.11 0.00 0.00 177.39 177.35 1jkv n GLY 30 N 1.60 1.49 3.92 -3.96 0.00 0.09 -3.59 105.19 104.74 1jkv n GLY 30 Ca -0.08 -0.49 -0.27 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 -1.14 1.65 0.23 -0.02 0.00 -0.39 -3.74 107.32 103.91 1jkv s GLY 31 Ca 0.26 -0.80 -0.15 0.00 0.00 0.00 0.00 44.72 44.03 1jkv s GLY 31 CO 0.21 -0.39 1.57 -1.61 0.00 0.00 0.00 173.10 172.88 1jkv h GLN 32 N -0.65 -0.03 -0.42 2.90 4.15 -1.96 -2.41 115.11 116.69 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 1.31 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.01 1jkv h GLN 32 CO 0.62 -0.02 0.00 0.91 -1.93 0.00 0.00 178.83 178.41 1jkv n TRP 33 N -5.51 0.88 -0.90 3.99 7.02 -1.26 -4.79 117.44 116.88 1jkv n TRP 33 Ca 0.10 -0.63 -0.01 0.00 -1.02 0.00 0.00 57.50 55.95 1jkv n TRP 33 Cb 0.41 -0.16 0.01 0.00 -2.42 0.00 0.00 31.31 29.15 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 0.46 -1.46 0.16 6.99 0.00 -0.91 -4.34 105.19 106.09 1jkv n GLY 34 Ca 0.18 -1.62 0.01 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.47 1.61 4.39 -0.93 -1.87 114.58 117.32 1jkv h GLU 35 Ca -0.01 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.57 1jkv h GLU 35 Cb 0.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1jkv h GLU 35 CO 0.01 0.52 -0.18 1.15 -1.16 0.00 0.00 179.01 179.35 1jkv h THR 36 N 0.00 1.27 -0.61 1.13 2.02 -1.77 0.42 112.91 115.37 1jkv h THR 36 Ca -0.01 -1.32 0.01 0.00 0.77 0.00 0.00 66.41 65.87 1jkv h THR 36 Cb 0.97 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 1jkv h THR 36 CO 0.07 0.45 0.40 0.74 0.37 0.00 0.00 175.52 177.55 1jkv h THR 37 N 0.81 1.13 0.09 3.16 2.02 -1.63 -0.72 112.91 117.78 1jkv h THR 37 Ca 0.12 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 1jkv h THR 37 Cb 0.73 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1jkv h THR 37 CO 0.06 0.15 -0.04 1.23 0.37 0.00 0.00 175.52 177.28 1jkv h GLY 38 N 0.80 -0.12 0.18 2.16 0.00 -1.12 -0.81 103.07 104.17 1jkv h GLY 38 Ca 0.23 0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.65 1jkv h GLY 38 CO -0.06 -0.04 -0.30 1.98 0.00 0.00 0.00 176.54 178.11 1jkv h MET 39 N -0.29 -0.36 -0.15 4.80 -1.53 -0.79 -0.74 114.93 115.87 1jkv h MET 39 Ca -0.01 0.02 -0.14 0.00 -3.44 0.00 0.00 59.70 56.13 1jkv h MET 39 Cb 0.24 0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.36 1jkv h MET 39 CO 0.02 -0.24 -0.52 0.52 0.14 0.00 0.00 176.91 176.83 1jkv h MET 40 N -0.38 0.42 -0.06 0.39 2.86 -1.13 -1.87 114.93 115.17 1jkv h MET 40 Ca 0.10 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 1jkv h MET 40 Cb 0.53 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.21 1jkv h MET 40 CO -0.34 0.84 -0.03 0.77 1.06 0.00 0.00 176.91 179.21 1jkv h SER 41 N 0.33 0.12 -0.35 1.22 0.02 -0.91 -1.58 113.55 112.40 1jkv h SER 41 Ca 0.01 -0.43 -0.13 0.00 -0.84 0.00 0.00 61.79 60.40 1jkv h SER 41 Cb 1.03 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 1jkv h SER 41 CO 0.09 0.52 -0.31 1.88 -1.14 0.00 0.00 176.83 177.88 1jkv h TYR 42 N -0.27 0.98 -0.31 3.45 0.05 -1.13 -0.79 116.97 118.94 1jkv h TYR 42 Ca 0.01 -0.28 -0.00 0.00 0.05 0.00 0.00 58.73 58.51 1jkv h TYR 42 Cb 0.48 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 1jkv h TYR 42 CO 0.07 1.07 0.19 -0.07 -1.05 0.00 0.00 178.16 178.37 1jkv h LEU 43 N 0.61 0.37 -0.26 3.88 3.38 -1.41 -0.44 115.31 121.44 1jkv h LEU 43 Ca 0.06 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1jkv h LEU 43 Cb 0.89 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1jkv h LEU 43 CO 0.08 0.31 0.12 0.28 0.09 0.00 0.00 178.44 179.32 1jkv h SER 44 N 0.40 0.17 -0.75 -0.43 0.02 -1.12 0.16 113.55 112.00 1jkv h SER 44 Ca 0.11 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1jkv h SER 44 Cb 0.00 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 1jkv h SER 44 CO -0.02 0.13 0.27 1.56 -1.14 0.00 0.00 176.83 177.63 1jkv h GLN 45 N 0.25 1.14 -0.26 3.45 4.20 -1.06 -1.73 115.11 121.10 1jkv h GLN 45 Ca 0.11 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 1jkv h GLN 45 Cb 0.04 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1jkv h GLN 45 CO -0.08 0.95 0.01 0.78 -0.67 0.00 0.00 178.83 179.81 1jkv h GLY 46 N 1.09 0.49 1.30 3.46 0.00 -0.80 -2.23 103.07 106.38 1jkv h GLY 46 Ca 0.25 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1jkv h GLY 46 CO -0.01 0.33 0.34 1.49 0.00 0.00 0.00 176.54 178.68 1jkv h TRP 47 N 0.24 0.90 0.00 5.60 6.55 -0.90 -2.89 115.95 125.45 1jkv h TRP 47 Ca 0.08 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.90 1jkv h TRP 47 Cb 0.40 -0.29 0.00 0.00 -0.86 0.00 0.00 29.16 28.41 1jkv h TRP 47 CO 0.03 0.64 0.00 0.00 -1.05 0.00 0.00 178.44 178.06 1jkv n ALA 48 N -2.44 2.41 -2.71 1.49 0.00 -0.66 -4.85 120.51 113.76 1jkv n ALA 48 Ca 0.06 -0.13 -0.40 0.00 0.00 0.00 0.00 53.44 52.97 1jkv n ALA 48 Cb 0.11 -1.48 -0.04 0.00 0.00 0.00 0.00 19.45 18.04 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 -2.69 7.04 0.00 0.00 0.15 -0.86 -4.91 113.70 112.43 1jkv s SER 49 Ca 0.24 1.25 0.16 0.00 0.70 0.00 0.00 55.95 58.31 1jkv s SER 49 Cb 0.20 -2.44 0.37 0.00 -1.71 0.00 0.00 66.02 62.44 1jkv s SER 49 CO 0.47 -0.15 1.29 0.35 1.20 0.00 0.00 173.24 176.40 1jkv n THR 50 N 3.85 0.72 -1.25 6.45 -2.24 -1.26 -5.02 114.28 115.53 1jkv n THR 50 Ca 0.00 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 1jkv n THR 50 Cb 0.51 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 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 1.02 1.77 3.68 3.38 0.00 -1.26 -5.03 105.19 108.76 1jkv n GLY 51 Ca 0.15 -1.92 -0.44 0.00 0.00 0.00 0.00 46.02 43.82 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 1.49 0.17 4.61 0.00 -1.26 -4.80 120.51 117.73 1jkv n ALA 52 Ca 0.00 0.41 0.10 0.00 0.00 0.00 0.00 53.44 53.96 1jkv n ALA 52 Cb 0.00 -2.34 0.63 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 4.84 0.06 -0.71 0.00 4.39 -1.98 -1.96 114.58 119.22 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 1.26 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.81 1jkv h GLU 53 CO 0.80 0.04 0.31 -0.22 -1.16 0.00 0.00 179.01 178.79 1jkv h LYS 54 N 0.06 0.49 0.15 2.33 3.64 -1.99 -0.18 116.57 121.07 1jkv h LYS 54 Ca 0.07 -0.03 -0.35 0.00 -1.27 0.00 0.00 60.65 59.08 1jkv h LYS 54 Cb 0.23 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1jkv h LYS 54 CO -0.01 0.33 -1.79 1.88 -2.27 0.00 0.00 179.45 177.59 1jkv h TYR 55 N 0.51 0.59 -0.22 1.91 0.05 -1.79 -2.96 116.97 115.07 1jkv h TYR 55 Ca 0.37 -0.43 0.02 0.00 0.05 0.00 0.00 58.73 58.74 1jkv h TYR 55 Cb 0.48 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.17 1jkv h TYR 55 CO -0.14 1.70 0.06 -0.22 -1.05 0.00 0.00 178.16 178.52 1jkv h LYS 56 N 0.02 0.16 -0.71 4.88 3.64 -1.23 -1.40 116.57 121.93 1jkv h LYS 56 Ca -0.37 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 58.94 1jkv h LYS 56 Cb 2.02 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.78 1jkv h LYS 56 CO 0.12 0.10 0.21 0.22 -2.27 0.00 0.00 179.45 177.84 1jkv h ASP 57 N 0.16 1.05 -0.53 4.20 3.58 -1.18 -2.01 116.42 121.68 1jkv h ASP 57 Ca 0.10 -0.21 0.05 0.00 0.42 0.00 0.00 57.03 57.38 1jkv h ASP 57 Cb 0.07 -0.28 -0.05 0.00 1.72 0.00 0.00 39.33 40.80 1jkv h ASP 57 CO -0.11 0.99 0.27 0.25 -2.88 0.00 0.00 179.24 177.75 1jkv h LEU 58 N 1.06 0.38 -0.50 2.28 5.85 -1.31 0.23 115.31 123.29 1jkv h LEU 58 Ca 0.23 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 1jkv h LEU 58 Cb 0.32 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1jkv h LEU 58 CO -0.01 0.26 0.25 -0.07 -0.34 0.00 0.00 178.44 178.53 1jkv h LEU 59 N 0.51 0.64 -0.57 2.25 3.38 -0.98 -1.40 115.31 119.14 1jkv h LEU 59 Ca 0.24 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 1jkv h LEU 59 Cb 0.16 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1jkv h LEU 59 CO -0.17 0.57 -0.42 -0.07 0.09 0.00 0.00 178.44 178.45 1jkv h LEU 60 N 0.66 0.73 -0.17 1.67 3.38 -1.05 0.37 115.31 120.89 1jkv h LEU 60 Ca 0.17 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1jkv h LEU 60 Cb 0.09 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1jkv h LEU 60 CO -0.02 1.05 -0.03 0.44 0.09 0.00 0.00 178.44 179.97 1jkv h ASP 61 N 0.56 -0.12 -0.02 -0.43 3.32 -0.46 -2.08 116.42 117.18 1jkv h ASP 61 Ca 0.04 0.05 -0.25 0.00 0.02 0.00 0.00 57.03 56.89 1jkv h ASP 61 Cb 0.95 0.09 0.02 0.00 0.22 0.00 0.00 39.33 40.61 1jkv h ASP 61 CO 0.09 -0.04 -0.94 0.74 -1.72 0.00 0.00 179.24 177.37 1jkv h THR 62 N 0.02 1.29 -1.01 0.35 2.02 -1.10 -1.72 112.91 112.76 1jkv h THR 62 Ca 0.08 -2.16 0.05 0.00 0.77 0.00 0.00 66.41 65.15 1jkv h THR 62 Cb 0.11 2.23 -0.06 0.00 -1.74 0.00 0.00 68.15 68.69 1jkv h THR 62 CO -0.16 0.67 0.66 1.23 0.37 0.00 0.00 175.52 178.29 1jkv h GLY 63 N 0.54 1.50 1.06 2.16 0.00 -0.95 0.82 103.07 108.19 1jkv h GLY 63 Ca -0.10 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 46.63 1jkv h GLY 63 CO 0.19 0.39 -0.13 -0.84 0.00 0.00 0.00 176.54 176.14 1jkv h THR 64 N 1.23 1.27 -0.73 4.70 2.02 -1.29 -2.74 112.91 117.38 1jkv h THR 64 Ca 0.42 -1.27 0.04 0.00 0.77 0.00 0.00 66.41 66.36 1jkv h THR 64 Cb 0.07 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 1jkv h THR 64 CO -0.15 0.44 0.45 -0.08 0.37 0.00 0.00 175.52 176.55 1jkv h GLU 65 N 0.78 0.83 0.00 6.66 4.81 -0.60 -2.34 114.58 124.72 1jkv h GLU 65 Ca 0.12 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1jkv h GLU 65 Cb 0.69 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 1jkv h GLU 65 CO 0.05 0.55 -0.03 0.93 -0.73 0.00 0.00 179.01 179.79 1jkv h GLU 66 N 0.86 0.00 -0.61 1.92 4.39 -0.59 -0.01 114.58 120.54 1jkv h GLU 66 Ca 0.30 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.00 1jkv h GLU 66 Cb 0.07 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 1jkv h GLU 66 CO -0.13 0.03 0.36 0.52 -1.16 0.00 0.00 179.01 178.62 1jkv h MET 67 N 0.00 0.82 -0.42 2.33 2.86 -1.14 -0.12 114.93 119.26 1jkv h MET 67 Ca -0.00 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 1jkv h MET 67 Cb 0.05 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1jkv h MET 67 CO 0.00 0.59 0.03 0.00 1.06 0.00 0.00 176.91 178.59 1jkv h ALA 68 N 1.56 1.26 -0.29 6.32 0.00 -0.98 -2.07 119.26 125.05 1jkv h ALA 68 Ca 0.22 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1jkv h ALA 68 Cb -0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1jkv h ALA 68 CO -0.04 0.50 -0.53 0.45 0.00 0.00 0.00 179.25 179.63 1jkv h HIS 69 N 0.63 1.08 -0.52 0.00 -0.00 -0.93 -1.33 115.15 114.09 1jkv h HIS 69 Ca 0.13 -0.38 0.09 0.00 -0.00 0.00 0.00 60.37 60.22 1jkv h HIS 69 Cb 0.36 -0.21 -0.08 0.00 -0.00 0.00 0.00 27.41 27.49 1jkv h HIS 69 CO 0.02 1.21 0.08 0.28 -0.00 0.00 0.00 177.93 179.52 1jkv h VAL 70 N 0.67 0.68 -0.64 2.45 2.07 -0.94 -0.23 116.25 120.30 1jkv h VAL 70 Ca 0.02 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1jkv h VAL 70 Cb 1.14 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1jkv h VAL 70 CO 0.12 0.04 0.31 -0.08 0.02 0.00 0.00 177.57 177.98 1jkv h GLU 71 N 0.21 0.92 -0.33 1.57 4.81 -1.19 -1.02 114.58 119.55 1jkv h GLU 71 Ca 0.26 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1jkv h GLU 71 Cb 0.37 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1jkv h GLU 71 CO -0.36 0.73 0.12 0.52 -0.73 0.00 0.00 179.01 179.29 1jkv h MET 72 N 0.88 0.51 -0.40 1.92 2.86 -0.70 -1.36 114.93 118.64 1jkv h MET 72 Ca 0.22 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.71 1jkv h MET 72 Cb 0.11 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1jkv h MET 72 CO -0.03 0.52 0.05 0.82 1.06 0.00 0.00 176.91 179.33 1jkv h ILE 73 N 0.39 1.24 -0.43 -1.22 1.08 -0.89 -0.37 117.51 117.32 1jkv h ILE 73 Ca 0.11 -0.89 0.08 0.00 -0.39 0.00 0.00 64.86 63.77 1jkv h ILE 73 Cb 0.21 1.06 -0.07 0.00 -3.07 0.00 0.00 36.82 34.95 1jkv h ILE 73 CO -0.01 0.30 0.02 0.28 -0.69 0.00 0.00 178.15 178.06 1jkv h SER 74 N 0.51 -0.13 -0.31 1.72 0.02 -1.12 -0.85 113.55 113.38 1jkv h SER 74 Ca 0.12 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1jkv h SER 74 Cb 0.39 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1jkv h SER 74 CO 0.01 -0.03 0.19 0.74 -1.14 0.00 0.00 176.83 176.60 1jkv h THR 75 N 0.14 1.11 -0.59 -2.27 2.02 -0.98 -1.59 112.91 110.75 1jkv h THR 75 Ca 0.21 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 67.16 1jkv h THR 75 Cb 0.30 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 1jkv h THR 75 CO -0.33 0.11 0.37 -0.03 0.37 0.00 0.00 175.52 176.00 1jkv h MET 76 N 0.40 0.71 -0.45 6.66 -1.53 -0.76 -1.15 114.93 118.80 1jkv h MET 76 Ca 0.11 -0.04 -0.00 0.00 -3.44 0.00 0.00 59.70 56.32 1jkv h MET 76 Cb 0.01 -0.16 -0.02 0.00 -0.55 0.00 0.00 31.60 30.88 1jkv h MET 76 CO -0.02 0.47 0.26 0.82 0.14 0.00 0.00 176.91 178.58 1jkv h ILE 77 N 0.73 1.15 -0.40 1.77 2.04 -0.91 -0.01 117.51 121.87 1jkv h ILE 77 Ca 0.23 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.77 1jkv h ILE 77 Cb -0.01 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 1jkv h ILE 77 CO -0.09 0.15 0.18 1.23 0.00 0.00 0.00 178.15 179.63 1jkv h GLY 78 N 0.60 0.54 1.00 5.37 0.00 -0.72 -1.10 103.07 108.75 1jkv h GLY 78 Ca 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 1jkv h GLY 78 CO -0.03 0.08 0.36 -0.97 0.00 0.00 0.00 176.54 175.98 1jkv h TYR 79 N 0.38 0.88 0.00 5.60 0.05 -0.99 -2.71 116.97 120.18 1jkv h TYR 79 Ca 0.17 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.92 1jkv h TYR 79 Cb 0.10 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.56 1jkv h TYR 79 CO -0.11 0.62 -0.10 -0.07 -1.05 0.00 0.00 178.16 177.45 1jkv h LEU 80 N 0.87 0.00 -0.48 3.88 3.38 -0.43 -2.10 115.31 120.43 1jkv h LEU 80 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1jkv h LEU 80 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1jkv h LEU 80 CO -0.04 0.10 -0.14 0.18 0.09 0.00 0.00 178.44 178.63 1jkv n LEU 81 N -3.57 0.89 -4.69 1.67 4.77 -0.47 -1.17 117.00 114.43 1jkv n LEU 81 Ca -0.02 -0.21 -0.44 0.00 -0.03 0.00 0.00 56.01 55.31 1jkv n LEU 81 Cb 0.22 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1jkv n LEU 81 CO 0.29 0.16 1.17 -0.62 -1.33 0.00 0.00 177.39 177.06 1jkv n GLU 82 N -0.59 2.30 -1.46 3.23 1.02 -0.79 -1.91 120.64 122.44 1jkv n GLU 82 Ca 0.15 0.82 -0.16 0.00 -0.02 0.00 0.00 57.16 57.95 1jkv n GLU 82 Cb 0.31 -2.57 -0.07 0.00 -0.02 0.00 0.00 31.44 29.10 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 2.85 -5.11 -4.77 1.62 8.00 -1.26 -4.80 116.55 113.08 1jkv n ASP 83 Ca 0.14 0.39 -0.39 0.00 0.71 0.00 0.00 54.79 55.64 1jkv n ASP 83 Cb 0.32 -4.00 -0.01 0.00 -0.02 0.00 0.00 41.12 37.41 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 -2.52 3.22 0.37 2.24 0.00 -0.80 -4.95 121.76 119.31 1jkv s ALA 84 Ca 0.00 1.19 -0.26 0.00 0.00 0.00 0.00 51.96 52.89 1jkv s ALA 84 Cb 0.00 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.56 1jkv s ALA 84 CO 0.00 -0.79 1.09 -1.25 0.00 0.00 0.00 175.76 174.80 1jkv s PRO 85 N -2.28 4.26 0.00 0.00 0.04 -1.26 -4.94 135.00 130.81 1jkv s PRO 85 Ca 0.58 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1jkv s PRO 85 Cb -0.37 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.44 1jkv s PRO 85 CO 0.47 -0.09 0.00 1.97 0.04 0.00 0.00 177.00 179.39 1jkv n PHE 86 N 0.28 0.00 -3.73 0.56 1.16 -1.26 -4.84 117.46 109.63 1jkv n PHE 86 Ca 0.03 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.53 1jkv n PHE 86 Cb 0.48 0.02 0.02 0.00 -1.61 0.00 0.00 39.48 38.38 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 1.31 0.39 4.97 0.00 -1.26 -5.04 105.19 105.55 1jkv n GLY 87 Ca 0.00 -1.28 0.16 0.00 0.00 0.00 0.00 46.02 44.90 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 0.42 -0.49 1.61 0.11 -2.01 -1.31 132.00 130.33 1jkv h PRO 88 Ca -0.28 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 1jkv h PRO 88 Cb 1.06 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 1jkv h PRO 88 CO 0.36 0.28 0.18 1.49 -0.21 0.00 0.00 178.00 180.09 1jkv h GLU 89 N 0.43 0.71 -0.47 1.05 4.81 -1.99 0.83 114.58 119.95 1jkv h GLU 89 Ca 0.41 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 59.41 1jkv h GLU 89 Cb 0.94 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 1jkv h GLU 89 CO -0.14 0.60 -0.16 -0.44 -0.73 0.00 0.00 179.01 178.14 1jkv h ASP 90 N 0.70 0.95 0.22 1.04 3.32 -1.64 -1.39 116.42 119.62 1jkv h ASP 90 Ca 0.17 -0.38 -0.10 0.00 0.02 0.00 0.00 57.03 56.74 1jkv h ASP 90 Cb 0.17 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1jkv h ASP 90 CO -0.01 1.12 -0.37 -0.07 -1.72 0.00 0.00 179.24 178.18 1jkv h LEU 91 N 0.79 0.22 -0.42 1.55 3.38 -1.28 -0.94 115.31 118.60 1jkv h LEU 91 Ca 0.11 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1jkv h LEU 91 Cb 0.72 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1jkv h LEU 91 CO 0.06 0.58 0.10 0.50 0.09 0.00 0.00 178.44 179.76 1jkv h LYS 92 N 0.19 0.68 -0.28 1.13 3.64 -0.66 -2.01 116.57 119.25 1jkv h LYS 92 Ca 0.02 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1jkv h LYS 92 Cb 0.74 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1jkv h LYS 92 CO 0.06 0.70 0.16 -0.09 -2.27 0.00 0.00 179.45 178.01 1jkv h ARG 93 N 0.55 0.39 -1.74 1.90 2.43 -1.01 -3.42 114.38 113.50 1jkv h ARG 93 Ca 0.13 -0.04 -0.27 0.00 -0.81 0.00 0.00 59.98 58.99 1jkv h ARG 93 Cb 0.33 -0.08 -0.28 0.00 -0.42 0.00 0.00 29.97 29.52 1jkv h ARG 93 CO 0.00 0.33 -0.61 0.34 -1.51 0.00 0.00 179.97 178.52 1jkv s ASP 94 N -5.55 0.53 0.63 -3.80 -1.08 -0.38 -5.03 116.67 102.00 1jkv s ASP 94 Ca -0.13 -1.11 0.35 0.00 -0.52 0.00 0.00 52.55 51.13 1jkv s ASP 94 Cb 0.09 0.93 1.97 0.00 -1.46 0.00 0.00 42.92 44.46 1jkv s ASP 94 CO 0.71 -0.27 2.20 -0.65 0.52 0.00 0.00 175.17 177.68 1jkv h PRO 95 N 7.38 0.00 0.00 4.34 0.11 -1.60 -1.66 132.00 140.56 1jkv h PRO 95 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1jkv h PRO 95 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1jkv h PRO 95 CO 0.21 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.87 1jkv n SER 96 N -3.40 0.35 0.00 -2.05 3.41 -1.26 -2.27 113.62 108.40 1jkv n SER 96 Ca -0.02 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.33 1jkv n SER 96 Cb 0.20 -0.69 0.50 0.00 -0.26 0.00 0.00 64.21 63.96 1jkv n SER 96 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jkv n LEU 97 N -1.93 0.00 -0.36 1.04 4.77 -0.62 -3.75 117.00 116.15 1jkv n LEU 97 Ca 0.01 0.41 0.01 0.00 -0.03 0.00 0.00 56.01 56.41 1jkv n LEU 97 Cb 0.10 -0.41 0.16 0.00 -2.33 0.00 0.00 43.42 40.94 1jkv n LEU 97 CO 0.10 -0.11 1.28 0.00 -1.33 0.00 0.00 177.39 177.33 1jkv h ALA 98 N 2.86 1.37 -0.55 -1.18 0.00 -1.68 -1.10 119.26 118.99 1jkv h ALA 98 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1jkv h ALA 98 Cb 0.30 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1jkv h ALA 98 CO 0.00 0.52 0.27 1.15 0.00 0.00 0.00 179.25 181.19 1jkv h THR 99 N 1.22 1.20 -0.05 0.00 2.02 -1.85 -1.00 112.91 114.46 1jkv h THR 99 Ca 0.40 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1jkv h THR 99 Cb 0.04 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1jkv h THR 99 CO -0.13 0.22 0.02 0.74 0.37 0.00 0.00 175.52 176.74 1jkv h THR 100 N 0.74 0.99 -0.95 3.16 2.02 -1.66 -2.76 112.91 114.45 1jkv h THR 100 Ca 0.19 -0.02 0.04 0.00 0.77 0.00 0.00 66.41 67.39 1jkv h THR 100 Cb 0.11 0.94 -0.06 0.00 -1.74 0.00 0.00 68.15 67.41 1jkv h THR 100 CO -0.02 0.01 0.62 0.24 0.37 0.00 0.00 175.52 176.73 1jkv h MET 101 N 0.04 1.15 -0.40 6.66 2.86 -0.95 -1.90 114.93 122.39 1jkv h MET 101 Ca 0.02 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1jkv h MET 101 Cb 0.01 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.39 1jkv h MET 101 CO -0.02 0.76 0.27 0.00 1.06 0.00 0.00 176.91 178.98 1jkv h ALA 102 N 1.40 1.80 -0.00 6.32 0.00 -0.91 -2.40 119.26 125.45 1jkv h ALA 102 Ca 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1jkv h ALA 102 Cb 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1jkv h ALA 102 CO -0.13 0.16 -0.34 0.41 0.00 0.00 0.00 179.25 179.35 1jkv n GLY 103 N -1.49 -0.84 3.85 0.00 0.00 -0.75 -4.95 105.19 101.01 1jkv n GLY 103 Ca 0.04 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.67 3.13 -0.34 1.61 1.00 -0.91 -4.88 119.30 116.23 1jkv s MET 104 Ca 0.20 0.75 -0.29 0.00 0.00 0.00 0.00 55.69 56.35 1jkv s MET 104 Cb 0.19 -2.03 0.01 0.00 0.00 0.00 0.00 34.83 33.00 1jkv s MET 104 CO 0.58 -0.91 1.16 0.34 0.00 0.00 0.00 175.02 176.19 1jkv s ASP 105 N -4.06 6.80 0.57 3.03 -1.08 -1.26 -4.93 116.67 115.73 1jkv s ASP 105 Ca 0.57 1.00 0.27 0.00 -0.52 0.00 0.00 52.55 53.88 1jkv s ASP 105 Cb -0.12 -2.54 1.51 0.00 -1.46 0.00 0.00 42.92 40.31 1jkv s ASP 105 CO 0.54 -1.01 2.01 -0.65 0.52 0.00 0.00 175.17 176.58 1jkv h PRO 106 N 8.68 0.00 0.00 4.34 0.11 -1.95 -1.74 132.00 141.43 1jkv h PRO 106 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1jkv h PRO 106 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1jkv h PRO 106 CO 1.05 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.77 1jkv h GLU 107 N 0.00 0.00 -0.55 1.05 5.08 -1.97 -2.75 114.58 115.44 1jkv h GLU 107 Ca 0.18 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.63 1jkv h GLU 107 Cb 0.86 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.03 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 0.21 0.00 4.33 3.86 -1.61 -1.26 115.15 120.68 1jkv h HIS 108 Ca 0.00 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1jkv h HIS 108 Cb 0.87 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.33 1jkv h HIS 108 CO 0.00 0.00 -0.05 0.66 0.86 0.00 0.00 177.93 179.40 1jkv h SER 109 N 0.27 0.00 -0.41 2.45 4.64 -1.74 0.21 113.55 118.97 1jkv h SER 109 Ca 0.28 -0.48 -0.04 0.00 -0.47 0.00 0.00 61.79 61.08 1jkv h SER 109 Cb 0.39 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 1jkv h SER 109 CO -0.35 0.77 0.09 0.25 -0.87 0.00 0.00 176.83 176.72 1jkv h LEU 110 N -1.00 0.64 0.10 5.97 5.85 -1.47 -1.98 115.31 123.42 1jkv h LEU 110 Ca -0.01 -0.24 -0.32 0.00 0.84 0.00 0.00 57.88 58.15 1jkv h LEU 110 Cb 0.52 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1jkv h LEU 110 CO -0.01 0.71 -1.73 0.58 -0.34 0.00 0.00 178.44 177.66 1jkv h VAL 111 N 0.53 0.77 -0.01 1.05 2.07 -1.48 -3.42 116.25 115.75 1jkv h VAL 111 Ca 0.13 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.33 1jkv h VAL 111 Cb 0.33 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 1jkv h VAL 111 CO 0.00 0.74 -0.09 1.41 0.02 0.00 0.00 177.57 179.65 1jkv n HIS 112 N -3.77 0.00 -3.16 1.57 8.25 -0.96 -5.01 115.22 112.14 1jkv n HIS 112 Ca -0.31 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.01 1jkv n HIS 112 Cb 0.95 0.00 0.05 0.00 1.12 0.00 0.00 29.99 32.11 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 0.83 0.02 3.28 -1.41 0.00 -0.74 -3.31 105.19 103.85 1jkv n GLY 113 Ca 0.07 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.27 -4.97 -4.20 0.99 4.77 0.72 -4.96 117.00 106.08 1jkv n LEU 114 Ca -0.01 -0.66 -0.12 0.00 -0.03 0.00 0.00 56.01 55.19 1jkv n LEU 114 Cb 0.54 -3.13 -0.10 0.00 -2.33 0.00 0.00 43.42 38.40 1jkv n LEU 114 CO 0.40 0.20 -0.31 0.20 -1.33 0.00 0.00 177.39 176.56 1jkv s ASN 115 N -3.75 0.74 0.66 -1.43 0.01 -1.21 -4.84 114.94 105.11 1jkv s ASN 115 Ca 0.28 -1.20 -0.17 0.00 -0.71 0.00 0.00 52.86 51.05 1jkv s ASN 115 Cb -0.04 0.21 -0.00 0.00 0.41 0.00 0.00 41.25 41.83 1jkv s ASN 115 CO 0.72 -0.66 1.22 0.00 -1.51 0.00 0.00 177.10 176.87 1jkv s ALA 116 N -3.87 2.36 0.48 0.60 0.00 -1.26 -4.77 121.76 115.30 1jkv s ALA 116 Ca 0.25 1.00 0.07 0.00 0.00 0.00 0.00 51.96 53.28 1jkv s ALA 116 Cb 0.07 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.73 1jkv s ALA 116 CO 0.03 -1.51 0.48 -1.54 0.00 0.00 0.00 175.76 173.22 1jkv s SER 117 N -1.73 4.99 -0.45 0.00 1.04 -1.26 -4.99 113.70 111.30 1jkv s SER 117 Ca 0.77 -0.88 0.04 0.00 0.48 0.00 0.00 55.95 56.36 1jkv s SER 117 Cb -0.31 -0.13 0.57 0.00 0.10 0.00 0.00 66.02 66.24 1jkv s SER 117 CO 0.39 -0.92 1.78 -0.11 0.98 0.00 0.00 173.24 175.37 1jkv n LEU 118 N -1.76 6.18 -4.80 2.42 7.94 -1.26 -4.74 117.00 120.98 1jkv n LEU 118 Ca 0.05 -3.88 -0.23 0.00 -1.11 0.00 0.00 56.01 50.84 1jkv n LEU 118 Cb 0.62 -0.79 -0.05 0.00 0.53 0.00 0.00 43.42 43.73 1jkv n LEU 118 CO 0.41 1.27 -0.09 0.20 -1.11 0.00 0.00 177.39 178.07 1jkv s ASN 119 N -1.88 4.69 0.95 1.96 0.01 -1.26 -1.97 114.94 117.45 1jkv s ASN 119 Ca 0.55 -0.94 -0.10 0.00 -0.71 0.00 0.00 52.86 51.67 1jkv s ASN 119 Cb 0.46 -0.51 0.15 0.00 0.41 0.00 0.00 41.25 41.76 1jkv s ASN 119 CO 0.05 -0.60 0.88 -0.46 -1.51 0.00 0.00 177.10 175.46 1jkv n ASN 120 N -1.38 0.19 0.31 -1.22 0.23 -0.32 -3.65 115.26 109.42 1jkv n ASN 120 Ca 0.01 -1.39 0.19 0.00 -0.53 0.00 0.00 54.58 52.86 1jkv n ASN 120 Cb 0.63 -0.66 1.05 0.00 -2.08 0.00 0.00 39.78 38.72 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 -0.72 -0.53 0.11 -1.78 -1.85 132.00 127.23 1jkv h PRO 121 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1jkv h PRO 121 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1jkv h PRO 121 CO 0.21 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.09 1jkv n ASN 122 N -3.45 4.01 0.00 -2.05 3.02 -1.26 -4.86 115.26 110.67 1jkv n ASN 122 Ca -0.03 -2.06 0.00 0.00 -0.03 0.00 0.00 54.58 52.46 1jkv n ASN 122 Cb 0.11 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 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 1.58 0.49 3.68 7.41 0.00 -0.69 -5.01 105.19 112.66 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 -2.03 3.46 0.30 4.61 0.00 -1.26 -4.76 121.76 122.07 1jkv s ALA 124 Ca 0.00 0.45 -0.30 0.00 0.00 0.00 0.00 51.96 52.11 1jkv s ALA 124 Cb 0.00 -3.48 -0.12 0.00 0.00 0.00 0.00 23.12 19.53 1jkv s ALA 124 CO 0.00 -0.70 1.60 0.00 0.00 0.00 0.00 175.76 176.65 1jkv n ALA 125 N 5.20 2.56 -1.70 0.00 0.00 -1.26 -1.18 120.51 124.13 1jkv n ALA 125 Ca 0.10 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.49 1jkv n ALA 125 Cb 0.48 -2.46 -0.00 0.00 0.00 0.00 0.00 19.45 17.46 1jkv n ALA 125 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1jkv n TRP 126 N 2.07 2.32 -3.92 0.00 -0.00 -0.83 -4.89 117.44 112.20 1jkv n TRP 126 Ca 0.08 0.54 -0.09 0.00 -0.00 0.00 0.00 57.50 58.04 1jkv n TRP 126 Cb 0.37 -2.42 -0.08 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 -0.31 0.21 0.35 5.87 2.20 -1.26 -5.04 114.94 116.96 1jkv s ASN 127 Ca 0.56 -0.70 0.26 0.00 -0.94 0.00 0.00 52.86 52.04 1jkv s ASN 127 Cb -0.56 0.29 1.22 0.00 -2.00 0.00 0.00 41.25 40.20 1jkv s ASN 127 CO 0.62 -0.66 1.79 0.00 -2.94 0.00 0.00 177.10 175.91 1jkv h ALA 128 N 3.02 1.00 0.00 3.54 0.00 -1.97 -1.97 119.26 122.88 1jkv h ALA 128 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1jkv h ALA 128 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1jkv h ALA 128 CO 0.57 0.00 0.00 0.78 0.00 0.00 0.00 179.25 180.60 1jkv h GLY 129 N 1.30 0.00 2.00 0.00 0.00 -2.00 -1.04 103.07 103.33 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 -1.72 0.00 0.00 0.00 176.54 174.82 1jkv n TYR 130 N -2.38 0.58 -3.74 5.60 4.01 -0.74 -4.87 117.16 115.62 1jkv n TYR 130 Ca -0.01 0.18 -0.37 0.00 -0.16 0.00 0.00 57.90 57.54 1jkv n TYR 130 Cb 0.06 -0.80 -0.06 0.00 -0.31 0.00 0.00 39.34 38.23 1jkv n TYR 130 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1jkv s VAL 131 N -3.10 5.37 -0.12 -0.72 1.01 -0.40 -4.99 120.40 117.44 1jkv s VAL 131 Ca 0.10 0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.50 1jkv s VAL 131 Cb 0.13 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 33.02 1jkv s VAL 131 CO 0.51 0.57 -0.22 -0.89 0.00 0.00 0.00 175.10 175.06 1jkv s THR 132 N -0.73 2.04 -0.30 3.92 2.01 -1.26 -5.06 115.64 116.26 1jkv s THR 132 Ca 0.16 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.19 1jkv s THR 132 Cb -0.13 -1.79 0.15 0.00 0.01 0.00 0.00 72.50 70.74 1jkv s THR 132 CO 0.05 0.55 0.34 -0.94 -0.69 0.00 0.00 174.62 173.93 1jkv s SER 133 N 0.65 1.26 0.06 3.53 1.04 -1.26 -4.78 113.70 114.20 1jkv s SER 133 Ca -0.11 -0.76 0.22 0.00 0.48 0.00 0.00 55.95 55.78 1jkv s SER 133 Cb -0.16 0.68 -0.17 0.00 0.10 0.00 0.00 66.02 66.46 1jkv s SER 133 CO 0.02 -0.36 0.75 -1.54 0.98 0.00 0.00 173.24 173.09 1jkv n SER 134 N 5.19 0.40 0.00 7.02 3.41 -1.26 -4.98 113.62 123.39 1jkv n SER 134 Ca 0.00 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1jkv n SER 134 Cb 0.47 1.29 0.00 0.00 -0.26 0.00 0.00 64.21 65.71 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 1.25 2.05 3.25 5.00 0.00 -1.26 -5.04 105.19 110.44 1jkv n GLY 135 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.59 4.51 0.27 1.61 3.84 -1.26 -5.00 114.94 117.32 1jkv s ASN 136 Ca 0.00 -0.75 0.25 0.00 0.21 0.00 0.00 52.86 52.57 1jkv s ASN 136 Cb 0.00 -1.73 0.71 0.00 -0.55 0.00 0.00 41.25 39.68 1jkv s ASN 136 CO 0.00 -0.13 1.74 -0.07 -2.79 0.00 0.00 177.10 175.85 1jkv h LEU 137 N 8.08 0.00 -0.06 3.21 3.38 -1.96 -1.21 115.31 126.75 1jkv h LEU 137 Ca -0.34 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1jkv h LEU 137 Cb 1.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1jkv h LEU 137 CO 0.59 0.00 0.01 0.58 0.09 0.00 0.00 178.44 179.71 1jkv h VAL 138 N 0.00 1.21 -0.26 1.22 2.07 -1.94 0.08 116.25 118.63 1jkv h VAL 138 Ca 0.00 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1jkv h VAL 138 Cb 0.79 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 1jkv h VAL 138 CO 0.00 0.18 0.11 0.00 0.02 0.00 0.00 177.57 177.87 1jkv h ALA 139 N 0.77 0.34 0.00 1.67 0.00 -1.98 -2.96 119.26 117.10 1jkv h ALA 139 Ca 0.02 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1jkv h ALA 139 Cb 0.27 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1jkv h ALA 139 CO 0.00 -0.06 -0.76 -0.44 0.00 0.00 0.00 179.25 177.98 1jkv h ASP 140 N 0.27 0.00 -0.22 0.00 5.19 -1.18 -1.12 116.42 119.36 1jkv h ASP 140 Ca 0.09 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.42 1jkv h ASP 140 Cb 0.18 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.67 1jkv h ASP 140 CO -0.01 0.76 -0.12 0.24 -3.12 0.00 0.00 179.24 177.00 1jkv h MET 141 N 0.00 0.62 -0.58 3.56 2.86 -1.04 0.18 114.93 120.52 1jkv h MET 141 Ca -0.01 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1jkv h MET 141 Cb 1.38 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.95 1jkv h MET 141 CO 0.10 0.72 0.38 0.00 1.06 0.00 0.00 176.91 179.17 1jkv h ARG 142 N 0.57 0.77 -1.00 1.72 3.08 -1.28 -1.48 114.38 116.75 1jkv h ARG 142 Ca 0.10 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.13 1jkv h ARG 142 Cb 0.53 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.36 1jkv h ARG 142 CO 0.03 0.51 0.66 0.35 -1.07 0.00 0.00 179.97 180.45 1jkv h PHE 143 N 0.79 1.23 -0.36 3.04 3.57 -0.58 -1.95 116.94 122.68 1jkv h PHE 143 Ca 0.21 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.62 1jkv h PHE 143 Cb -0.08 -0.41 -0.01 0.00 2.79 0.00 0.00 35.95 38.23 1jkv h PHE 143 CO -0.03 0.72 -0.28 -0.91 -2.23 0.00 0.00 178.31 175.58 1jkv h ASN 144 N 1.28 0.78 -0.71 0.41 2.35 -0.56 0.14 115.58 119.26 1jkv h ASN 144 Ca 0.39 -0.30 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1jkv h ASN 144 Cb -0.03 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.09 1jkv h ASN 144 CO -0.12 1.01 0.47 0.58 -1.65 0.00 0.00 177.43 177.72 1jkv h VAL 145 N 0.64 1.16 -0.48 2.81 2.07 -0.85 -1.89 116.25 119.72 1jkv h VAL 145 Ca 0.08 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1jkv h VAL 145 Cb 0.80 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1jkv h VAL 145 CO 0.07 0.17 0.19 0.58 0.02 0.00 0.00 177.57 178.60 1jkv h VAL 146 N 0.94 1.21 -0.55 2.57 2.07 -0.67 -0.88 116.25 120.94 1jkv h VAL 146 Ca 0.27 -0.65 0.06 0.00 0.82 0.00 0.00 66.70 67.21 1jkv h VAL 146 Cb -0.07 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 1jkv h VAL 146 CO -0.07 0.24 0.25 -0.09 0.02 0.00 0.00 177.57 177.92 1jkv h ARG 147 N 0.63 0.46 0.00 1.57 1.12 -0.45 0.12 114.38 117.83 1jkv h ARG 147 Ca 0.16 -0.03 -0.09 0.00 -1.11 0.00 0.00 59.98 58.91 1jkv h ARG 147 Cb 0.19 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.04 1jkv h ARG 147 CO -0.01 0.31 -0.45 0.93 -3.11 0.00 0.00 179.97 177.63 1jkv h GLU 148 N 0.48 0.00 -0.02 0.20 4.39 -1.15 -1.78 114.58 116.69 1jkv h GLU 148 Ca 0.25 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.93 1jkv h GLU 148 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1jkv h GLU 148 CO -0.21 0.45 -0.08 0.77 -1.16 0.00 0.00 179.01 178.78 1jkv h SER 149 N 0.00 0.11 -0.67 1.42 0.02 -0.22 -1.23 113.55 112.98 1jkv h SER 149 Ca -0.00 -0.66 -0.07 0.00 -0.84 0.00 0.00 61.79 60.21 1jkv h SER 149 Cb 1.00 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.48 1jkv h SER 149 CO 0.06 0.75 0.13 -0.33 -1.14 0.00 0.00 176.83 176.29 1jkv h GLU 150 N -0.53 1.09 -0.15 3.45 4.39 -0.81 -1.78 114.58 120.25 1jkv h GLU 150 Ca -0.01 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.40 1jkv h GLU 150 Cb 0.74 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1jkv h GLU 150 CO 0.02 0.99 0.06 0.00 -1.16 0.00 0.00 179.01 178.92 1jkv h ALA 151 N 1.05 0.19 -0.06 3.43 0.00 -1.39 -2.08 119.26 120.40 1jkv h ALA 151 Ca 0.21 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1jkv h ALA 151 Cb 0.42 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1jkv h ALA 151 CO 0.01 -0.22 -0.36 -0.09 0.00 0.00 0.00 179.25 178.59 1jkv h ARG 152 N 0.08 0.12 -0.40 0.00 2.43 -1.13 0.02 114.38 115.50 1jkv h ARG 152 Ca 0.05 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1jkv h ARG 152 Cb 0.17 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 1jkv h ARG 152 CO -0.00 0.46 0.23 1.25 -1.51 0.00 0.00 179.97 180.40 1jkv h LEU 153 N 0.10 0.36 -0.44 3.80 5.85 -1.23 -0.21 115.31 123.54 1jkv h LEU 153 Ca 0.01 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1jkv h LEU 153 Cb 0.68 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1jkv h LEU 153 CO 0.05 0.26 0.09 1.56 -0.34 0.00 0.00 178.44 180.06 1jkv h GLN 154 N 0.46 0.72 -0.85 1.25 4.20 -0.59 -1.59 115.11 118.71 1jkv h GLN 154 Ca 0.16 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1jkv h GLN 154 Cb 0.02 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.67 1jkv h GLN 154 CO -0.08 0.73 0.49 0.28 -0.67 0.00 0.00 178.83 179.58 1jkv h VAL 155 N 0.59 1.24 -0.58 -0.54 2.07 -0.93 0.24 116.25 118.34 1jkv h VAL 155 Ca 0.14 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1jkv h VAL 155 Cb 0.35 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1jkv h VAL 155 CO 0.00 0.26 0.33 0.28 0.02 0.00 0.00 177.57 178.47 1jkv h SER 156 N 1.18 0.71 -0.45 0.57 0.02 -0.79 -1.49 113.55 113.31 1jkv h SER 156 Ca 0.30 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 1jkv h SER 156 Cb -0.01 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1jkv h SER 156 CO -0.05 0.58 0.22 0.03 -1.14 0.00 0.00 176.83 176.47 1jkv h ARG 157 N 0.78 0.64 -0.91 3.45 3.08 -0.76 -2.84 114.38 117.83 1jkv h ARG 157 Ca 0.21 -0.09 0.12 0.00 0.07 0.00 0.00 59.98 60.29 1jkv h ARG 157 Cb 0.02 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 29.88 1jkv h ARG 157 CO -0.04 0.54 0.59 -0.07 -1.07 0.00 0.00 179.97 179.92 1jkv h LEU 158 N 0.58 0.77 -1.46 3.04 3.38 -0.57 -0.91 115.31 120.15 1jkv h LEU 158 Ca 0.16 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.25 1jkv h LEU 158 Cb 0.11 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 1jkv h LEU 158 CO -0.02 0.42 0.47 0.22 0.09 0.00 0.00 178.44 179.62 1jkv h TYR 159 N 0.83 0.65 -0.24 1.13 5.03 -1.03 -0.16 116.97 123.18 1jkv h TYR 159 Ca 0.44 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.77 1jkv h TYR 159 Cb 0.55 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.62 1jkv h TYR 159 CO -0.00 0.31 0.00 0.43 -1.32 0.00 0.00 178.16 177.58 1jkv n SER 160 N -4.49 1.76 -0.76 -2.11 7.64 -0.37 -3.94 113.62 111.35 1jkv n SER 160 Ca 0.12 -1.82 0.07 0.00 1.01 0.00 0.00 58.87 58.25 1jkv n SER 160 Cb 0.33 -0.15 0.17 0.00 -1.01 0.00 0.00 64.21 63.55 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 0.40 2.50 -3.75 1.43 2.81 -0.08 -4.98 117.12 115.46 1jkv n MET 161 Ca 0.15 -2.03 -0.12 0.00 -1.81 0.00 0.00 57.70 53.88 1jkv n MET 161 Cb 0.32 -1.32 -0.07 0.00 -0.71 0.00 0.00 33.22 31.43 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 -1.03 0.08 -1.34 2.03 -1.32 -1.22 -4.97 115.64 107.87 1jkv s THR 162 Ca 0.27 -0.65 0.12 0.00 -1.21 0.00 0.00 61.69 60.21 1jkv s THR 162 Cb 0.14 -0.91 0.17 0.00 -1.51 0.00 0.00 72.50 70.40 1jkv s THR 162 CO 0.19 -0.36 1.01 -0.62 -2.21 0.00 0.00 174.62 172.64 1jkv n GLU 163 N 0.63 1.40 -2.26 7.08 1.02 -1.26 -4.93 120.64 122.33 1jkv n GLU 163 Ca -0.19 -1.51 -0.43 0.00 -0.02 0.00 0.00 57.16 55.01 1jkv n GLU 163 Cb 0.59 -1.25 -0.02 0.00 -0.02 0.00 0.00 31.44 30.74 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 -1.00 6.75 0.44 1.62 -1.08 -1.26 -4.90 116.67 117.24 1jkv s ASP 164 Ca 0.18 1.78 0.25 0.00 -0.52 0.00 0.00 52.55 54.23 1jkv s ASP 164 Cb 0.11 -2.54 0.88 0.00 -1.46 0.00 0.00 42.92 39.91 1jkv s ASP 164 CO 0.16 -0.92 1.80 -0.33 0.52 0.00 0.00 175.17 176.40 1jkv h GLU 165 N 9.09 0.00 -0.13 4.34 4.39 -1.98 -0.84 114.58 129.45 1jkv h GLU 165 Ca -0.31 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.34 1jkv h GLU 165 Cb 1.13 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1jkv h GLU 165 CO 0.98 0.20 -0.11 0.78 -1.16 0.00 0.00 179.01 179.70 1jkv h GLY 166 N 2.30 0.33 0.99 -3.84 0.00 -1.91 -0.14 103.07 100.80 1jkv h GLY 166 Ca -0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 1jkv h GLY 166 CO 0.03 0.30 0.24 -2.08 0.00 0.00 0.00 176.54 175.02 1jkv h VAL 167 N -0.08 1.12 -0.47 4.60 2.07 -1.69 -2.82 116.25 118.98 1jkv h VAL 167 Ca 0.02 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1jkv h VAL 167 Cb 0.63 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1jkv h VAL 167 CO 0.03 0.12 0.16 0.03 0.02 0.00 0.00 177.57 177.93 1jkv h ARG 168 N 0.51 0.69 -0.31 1.57 3.08 -1.12 -1.45 114.38 117.34 1jkv h ARG 168 Ca 0.14 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 60.09 1jkv h ARG 168 Cb -0.01 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1jkv h ARG 168 CO -0.03 0.59 0.19 0.22 -1.07 0.00 0.00 179.97 179.88 1jkv h ASP 169 N 0.68 0.33 -0.43 7.04 3.58 -0.81 0.33 116.42 127.13 1jkv h ASP 169 Ca 0.16 -0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.62 1jkv h ASP 169 Cb 0.19 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 1jkv h ASP 169 CO -0.01 0.24 0.26 -0.03 -2.88 0.00 0.00 179.24 176.81 1jkv h MET 170 N 0.40 0.50 -0.68 0.28 4.05 -1.18 -2.80 114.93 115.50 1jkv h MET 170 Ca 0.12 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.50 1jkv h MET 170 Cb -0.02 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.63 1jkv h MET 170 CO -0.04 0.33 0.39 -0.07 0.23 0.00 0.00 176.91 177.75 1jkv h LEU 171 N 0.52 0.83 -1.10 3.39 3.38 -0.85 -1.95 115.31 119.52 1jkv h LEU 171 Ca 0.17 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1jkv h LEU 171 Cb 0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1jkv h LEU 171 CO -0.08 0.66 0.24 0.11 0.09 0.00 0.00 178.44 179.46 1jkv h LYS 172 N 0.95 0.88 -0.05 1.13 1.57 -0.72 0.76 116.57 121.08 1jkv h LYS 172 Ca 0.24 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1jkv h LYS 172 Cb 0.00 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 1jkv h LYS 172 CO -0.04 0.72 0.00 0.35 -0.57 0.00 0.00 179.45 179.91 1jkv h PHE 173 N 0.87 0.09 -0.81 -1.35 3.57 -1.19 -2.93 116.94 115.19 1jkv h PHE 173 Ca 0.21 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 1jkv h PHE 173 Cb 0.17 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 1jkv h PHE 173 CO 0.01 0.36 0.39 -0.07 -2.23 0.00 0.00 178.31 176.77 1jkv h LEU 174 N -0.20 1.05 -0.62 0.59 3.38 -1.10 -1.31 115.31 117.10 1jkv h LEU 174 Ca 0.01 -0.12 0.09 0.00 0.09 0.00 0.00 57.88 57.95 1jkv h LEU 174 Cb 0.32 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 1jkv h LEU 174 CO 0.00 0.89 0.27 -0.07 0.09 0.00 0.00 178.44 179.62 1jkv h LEU 175 N 1.15 0.31 -0.50 1.67 3.38 -0.87 -0.15 115.31 120.30 1jkv h LEU 175 Ca 0.28 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.22 1jkv h LEU 175 Cb 0.11 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1jkv h LEU 175 CO -0.04 0.19 -0.06 0.00 0.09 0.00 0.00 178.44 178.62 1jkv h ALA 176 N 1.40 0.68 -0.53 1.53 0.00 -1.18 -1.08 119.26 120.08 1jkv h ALA 176 Ca 0.31 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1jkv h ALA 176 Cb 0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1jkv h ALA 176 CO -0.28 0.55 0.01 0.00 0.00 0.00 0.00 179.25 179.53 1jkv h ARG 177 N 0.79 0.89 -0.00 0.00 2.47 -0.84 -1.58 114.38 116.10 1jkv h ARG 177 Ca 0.14 -0.25 -0.08 0.00 -1.26 0.00 0.00 59.98 58.53 1jkv h ARG 177 Cb 0.60 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.81 1jkv h ARG 177 CO 0.04 0.88 -0.39 0.93 0.56 0.00 0.00 179.97 181.98 1jkv h GLU 178 N 0.82 0.01 0.15 0.04 5.08 -0.82 0.94 114.58 120.80 1jkv h GLU 178 Ca 0.16 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1jkv h GLU 178 Cb 0.47 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1jkv h GLU 178 CO 0.02 0.40 -0.07 1.15 -1.00 0.00 0.00 179.01 179.51 1jkv h THR 179 N 0.01 0.88 -0.59 1.13 2.02 -0.68 0.07 112.91 115.75 1jkv h THR 179 Ca -0.00 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.09 1jkv h THR 179 Cb 0.69 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 68.02 1jkv h THR 179 CO 0.05 0.03 0.35 -0.61 0.37 0.00 0.00 175.52 175.71 1jkv h GLN 180 N -0.26 0.65 -0.40 6.66 5.75 -0.87 -1.11 115.11 125.53 1jkv h GLN 180 Ca -0.02 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.35 1jkv h GLN 180 Cb 0.20 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1jkv h GLN 180 CO 0.03 0.43 -0.10 0.45 -2.65 0.00 0.00 178.83 176.99 1jkv h HIS 181 N 0.67 0.87 -0.36 3.99 3.86 -0.74 0.61 115.15 124.05 1jkv h HIS 181 Ca 0.25 -0.19 0.07 0.00 -1.16 0.00 0.00 60.37 59.34 1jkv h HIS 181 Cb 0.07 -0.21 -0.06 0.00 1.06 0.00 0.00 27.41 28.27 1jkv h HIS 181 CO -0.07 0.90 -0.02 1.96 0.86 0.00 0.00 177.93 181.56 1jkv h GLN 182 N 0.58 0.07 -0.43 2.45 4.20 -0.75 -1.58 115.11 119.65 1jkv h GLN 182 Ca 0.10 -0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 1jkv h GLN 182 Cb 0.63 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 1jkv h GLN 182 CO 0.04 0.05 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.12 1jkv h LEU 183 N 0.07 0.80 -0.56 1.46 3.38 -0.77 -0.57 115.31 119.11 1jkv h LEU 183 Ca 0.18 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1jkv h LEU 183 Cb 0.25 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1jkv h LEU 183 CO -0.32 0.95 0.02 0.06 0.09 0.00 0.00 178.44 179.24 1jkv h GLN 184 N 0.63 0.99 -0.09 1.13 3.07 -0.80 -0.93 115.11 119.10 1jkv h GLN 184 Ca 0.12 -0.31 -0.12 0.00 0.09 0.00 0.00 58.65 58.43 1jkv h GLN 184 Cb 0.57 -0.09 -0.01 0.00 0.08 0.00 0.00 27.48 28.03 1jkv h GLN 184 CO 0.03 0.98 -0.48 0.74 0.09 0.00 0.00 178.83 180.19 1jkv h PHE 185 N 0.87 0.29 -0.67 0.06 0.04 -1.22 -1.67 116.94 114.64 1jkv h PHE 185 Ca 0.16 -0.09 -0.07 0.00 2.80 0.00 0.00 57.97 60.77 1jkv h PHE 185 Cb 0.52 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.59 1jkv h PHE 185 CO 0.04 0.68 0.13 0.52 -0.60 0.00 0.00 178.31 179.07 1jkv h MET 186 N 0.19 1.10 -0.33 1.51 2.86 -0.89 0.54 114.93 119.92 1jkv h MET 186 Ca 0.01 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.35 1jkv h MET 186 Cb 0.92 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 1jkv h MET 186 CO 0.07 1.00 0.15 -0.22 1.06 0.00 0.00 176.91 178.98 1jkv h LYS 187 N 1.03 0.48 -0.26 1.72 1.63 -0.96 0.89 116.57 121.10 1jkv h LYS 187 Ca 0.21 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 59.93 1jkv h LYS 187 Cb 0.42 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 1jkv h LYS 187 CO 0.01 0.45 0.16 0.00 -3.45 0.00 0.00 179.45 176.62 1jkv h ALA 188 N 1.01 0.33 -0.39 5.00 0.00 -1.21 -1.34 119.26 122.65 1jkv h ALA 188 Ca 0.11 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1jkv h ALA 188 Cb 0.13 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 1jkv h ALA 188 CO -0.01 -0.18 -0.18 0.37 0.00 0.00 0.00 179.25 179.25 1jkv h GLN 189 N 0.33 -0.10 -0.47 0.00 4.15 -0.66 0.09 115.11 118.46 1jkv h GLN 189 Ca 0.09 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.56 1jkv h GLN 189 Cb 0.00 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.67 1jkv h GLN 189 CO -0.02 -0.07 0.23 1.49 -1.93 0.00 0.00 178.83 178.54 1jkv h GLU 190 N -0.10 0.45 -0.55 1.69 4.81 -0.53 0.15 114.58 120.51 1jkv h GLU 190 Ca 0.19 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1jkv h GLU 190 Cb 0.40 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1jkv h GLU 190 CO -0.46 0.30 0.06 0.93 -0.73 0.00 0.00 179.01 179.10 1jkv h GLU 191 N 0.47 0.93 -0.23 1.92 5.08 -0.88 -1.19 114.58 120.68 1jkv h GLU 191 Ca 0.20 -0.27 -0.14 0.00 -1.00 0.00 0.00 59.36 58.16 1jkv h GLU 191 Cb 0.11 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1jkv h GLU 191 CO -0.14 0.91 -0.44 -0.07 -1.00 0.00 0.00 179.01 178.27 1jkv h LEU 192 N 0.81 0.61 -0.73 1.33 3.38 -0.68 -1.69 115.31 118.34 1jkv h LEU 192 Ca 0.16 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1jkv h LEU 192 Cb 0.46 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1jkv h LEU 192 CO 0.02 0.97 0.22 -0.33 0.09 0.00 0.00 178.44 179.41 1jkv h GLU 193 N 0.46 1.14 -0.49 1.13 5.08 -0.51 0.36 114.58 121.74 1jkv h GLU 193 Ca 0.03 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 1jkv h GLU 193 Cb 0.96 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 1jkv h GLU 193 CO 0.09 0.98 0.02 1.49 -1.00 0.00 0.00 179.01 180.58 1jkv h GLU 194 N 1.09 0.80 0.03 2.33 4.81 -0.99 0.44 114.58 123.08 1jkv h GLU 194 Ca 0.24 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1jkv h GLU 194 Cb 0.32 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1jkv h GLU 194 CO -0.01 0.79 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.83 1jkv h LYS 195 N 0.75 -0.04 0.00 1.92 3.64 -1.03 -3.40 116.57 118.41 1jkv h LYS 195 Ca 0.15 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 1jkv h LYS 195 Cb 0.42 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1jkv h LYS 195 CO 0.02 0.60 -2.04 0.66 -2.27 0.00 0.00 179.45 176.41 1jkv n TYR 196 N -4.79 0.00 0.00 1.91 4.01 0.09 -5.10 117.16 113.29 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 0.32 -0.59 0.00 0.00 -0.31 0.00 0.00 39.34 38.76 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 1.44 3.70 0.20 2.72 0.00 0.14 -4.12 105.19 109.28 1jkv n GLY 197 Ca -0.11 -1.76 0.13 0.00 0.00 0.00 0.00 46.02 44.29 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 0.66 0.00 -3.07 -0.61 6.09 -1.93 -3.40 117.51 115.24 1jkv h ILE 198 Ca 0.00 -0.77 -0.63 0.00 -1.37 0.00 0.00 64.86 62.08 1jkv h ILE 198 Cb 0.00 1.76 -0.11 0.00 0.47 0.00 0.00 36.82 38.94 1jkv h ILE 198 CO 0.00 0.00 -0.51 -0.63 -3.07 0.00 0.00 178.15 173.94 1jkv s ILE 199 N -3.28 5.25 -0.19 2.19 -1.09 -1.26 -5.08 121.20 117.75 1jkv s ILE 199 Ca 0.07 0.12 -0.11 0.00 -2.23 0.00 0.00 60.65 58.50 1jkv s ILE 199 Cb 0.07 -3.34 -0.05 0.00 -1.58 0.00 0.00 42.46 37.56 1jkv s ILE 199 CO 0.62 0.51 0.17 -0.69 -1.23 0.00 0.00 174.94 174.32 1jkv s VAL 200 N -0.17 5.39 0.59 2.92 1.01 -1.26 -1.74 120.40 127.14 1jkv s VAL 200 Ca 0.10 0.27 -0.15 0.00 0.00 0.00 0.00 61.98 62.19 1jkv s VAL 200 Cb -0.12 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1jkv s VAL 200 CO 0.01 0.44 1.05 -2.84 0.00 0.00 0.00 175.10 173.75 1jkv s PRO 201 N 0.31 3.38 0.00 2.72 0.02 -1.26 -5.07 135.00 135.11 1jkv s PRO 201 Ca 0.10 1.14 0.20 0.00 0.02 0.00 0.00 61.00 62.46 1jkv s PRO 201 Cb -0.11 -2.04 0.95 0.00 0.02 0.00 0.00 34.50 33.31 1jkv s PRO 201 CO -0.00 -0.75 1.64 0.41 -0.33 0.00 0.00 177.00 177.96 1jkv n GLY 202 N -1.17 -0.45 1.10 0.52 0.00 -0.71 -4.07 105.19 100.40 1jkv n GLY 202 Ca 0.08 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.31 2.64 -0.05 1.61 5.75 -1.26 -4.64 116.55 120.28 1jkv n ASP 203 Ca 0.15 -3.84 0.02 0.00 -0.01 0.00 0.00 54.79 51.11 1jkv n ASP 203 Cb 0.18 -0.57 0.02 0.00 -1.03 0.00 0.00 41.12 39.73 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 -1.06 1.75 -0.25 0.11 2.81 -1.26 -4.83 117.12 114.39 1jkv n MET 204 Ca 0.30 -1.42 -0.07 0.00 -1.81 0.00 0.00 57.70 54.70 1jkv n MET 204 Cb 0.88 -0.93 0.06 0.00 -0.71 0.00 0.00 33.22 32.52 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 1.12 -0.60 0.03 3.64 -1.89 -1.99 116.57 116.89 1jkv h LYS 205 Ca 0.00 -0.27 -0.07 0.00 -1.27 0.00 0.00 60.65 59.04 1jkv h LYS 205 Cb 0.78 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1jkv h LYS 205 CO 0.00 0.99 0.09 1.49 -2.27 0.00 0.00 179.45 179.75 1jkv h GLU 206 N 1.07 1.00 -0.49 1.90 4.22 -1.98 -3.23 114.58 117.07 1jkv h GLU 206 Ca 0.22 -0.27 -0.11 0.00 0.08 0.00 0.00 59.36 59.28 1jkv h GLU 206 Cb 0.37 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1jkv h GLU 206 CO 0.00 0.94 -0.13 0.82 -2.18 0.00 0.00 179.01 178.46 1jkv h ILE 207 N 0.90 1.27 -4.18 2.32 2.04 -1.84 -3.45 117.51 114.57 1jkv h ILE 207 Ca 0.18 -1.28 -0.52 0.00 1.00 0.00 0.00 64.86 64.24 1jkv h ILE 207 Cb 0.44 1.07 0.13 0.00 -0.74 0.00 0.00 36.82 37.72 1jkv h ILE 207 CO 0.01 0.44 0.39 -1.83 0.00 0.00 0.00 178.15 177.16 1jkv s GLU 208 N -4.79 2.51 -0.98 2.37 -1.05 -0.77 -4.89 118.70 111.10 1jkv s GLU 208 Ca -0.12 1.58 -0.24 0.00 -0.15 0.00 0.00 54.97 56.05 1jkv s GLU 208 Cb 0.12 -1.90 0.01 0.00 -0.44 0.00 0.00 34.13 31.93 1jkv s GLU 208 CO 0.85 -1.51 1.64 -1.01 0.95 0.00 0.00 175.26 176.18 1jkv s HIS 209 N -2.13 2.26 0.61 4.83 3.76 -1.26 -4.85 115.29 118.52 1jkv s HIS 209 Ca 0.71 -0.30 0.32 0.00 -0.15 0.00 0.00 55.06 55.64 1jkv s HIS 209 Cb -0.25 -4.45 1.80 0.00 1.11 0.00 0.00 32.58 30.79 1jkv s HIS 209 CO 0.42 -1.86 2.14 0.77 -0.85 0.00 0.00 174.74 175.36 1jkv h SER 210 N 10.32 0.00 0.29 1.40 0.02 -1.90 -1.64 113.55 122.03 1jkv h SER 210 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 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 1.35 0.00 0.00 1.05 -1.14 0.00 0.00 176.83 178.09 1jkv h GLU 211 N 0.00 0.00 -0.22 3.45 4.11 -2.00 -2.09 114.58 117.83 1jkv h GLU 211 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 1jkv h GLU 211 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 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 -2.91 0.27 0.72 2.06 3.72 -0.62 -4.66 117.46 116.05 1jkv n PHE 212 Ca -0.02 -0.18 0.13 0.00 -0.05 0.00 0.00 57.45 57.33 1jkv n PHE 212 Cb 0.13 -0.00 0.44 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 1.03 0.60 -0.39 4.37 3.41 -0.79 -3.81 113.62 118.04 1jkv n SER 213 Ca 0.13 0.50 0.04 0.00 -0.26 0.00 0.00 58.87 59.29 1jkv n SER 213 Cb 0.47 -0.63 0.06 0.00 -0.26 0.00 0.00 64.21 63.86 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 -2.05 0.00 -3.56 7.33 8.25 -1.26 -5.05 115.22 118.88 1jkv n HIS 214 Ca 0.06 -0.45 -0.38 0.00 -0.26 0.00 0.00 57.72 56.68 1jkv n HIS 214 Cb 0.41 -0.10 -0.11 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 5.29 -0.16 1.59 1.01 -1.25 -1.23 120.40 124.46 1jkv s VAL 215 Ca 0.15 0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 1jkv s VAL 215 Cb 0.14 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.94 1jkv s VAL 215 CO 0.00 0.21 1.07 -0.22 0.00 0.00 0.00 175.10 176.15 1jkv s LEU 216 N 1.78 4.18 -0.26 3.92 0.20 0.00 -4.95 118.68 123.55 1jkv s LEU 216 Ca 0.08 1.51 -0.07 0.00 0.69 0.00 0.00 54.13 56.34 1jkv s LEU 216 Cb -0.16 -3.55 -0.01 0.00 -0.43 0.00 0.00 46.19 42.04 1jkv s LEU 216 CO 0.11 -0.59 0.06 -0.04 -0.29 0.00 0.00 176.35 175.60 1jkv s MET 217 N 2.70 3.45 -1.21 1.98 -1.94 -1.26 -1.15 119.30 121.87 1jkv s MET 217 Ca 0.48 -0.61 -0.18 0.00 -1.71 0.00 0.00 55.69 53.66 1jkv s MET 217 Cb -0.18 -3.30 0.09 0.00 2.01 0.00 0.00 34.83 33.44 1jkv s MET 217 CO 0.13 -0.27 1.60 1.21 -0.01 0.00 0.00 175.02 177.67 1jkv s ASN 218 N 1.57 6.80 0.24 3.03 2.47 -0.74 -4.81 114.94 123.50 1jkv s ASN 218 Ca 0.05 -2.33 0.23 0.00 0.42 0.00 0.00 52.86 51.23 1jkv s ASN 218 Cb -0.16 -2.54 0.09 0.00 -1.45 0.00 0.00 41.25 37.20 1jkv s ASN 218 CO 0.02 -1.16 1.17 -0.26 -3.72 0.00 0.00 177.10 173.16 1jkv h PHE 219 N 8.00 0.00 -3.64 0.43 0.04 -1.89 -3.41 116.94 116.47 1jkv h PHE 219 Ca 0.36 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 60.45 1jkv h PHE 219 Cb 0.91 0.00 -0.20 0.00 2.20 0.00 0.00 35.95 38.85 1jkv h PHE 219 CO 1.33 0.00 -0.70 0.45 -0.60 0.00 0.00 178.31 178.79 1jkv s SER 220 N -5.40 4.56 0.00 2.17 0.15 -1.26 -5.04 113.70 108.88 1jkv s SER 220 Ca 0.01 -0.07 0.20 0.00 0.70 0.00 0.00 55.95 56.79 1jkv s SER 220 Cb 0.09 -1.23 1.08 0.00 -1.71 0.00 0.00 66.02 64.25 1jkv s SER 220 CO 0.76 0.33 1.61 -0.90 1.20 0.00 0.00 173.24 176.24 1jkv n ASP 221 N 2.46 0.00 -4.74 5.45 5.75 -1.26 -4.69 116.55 119.52 1jkv n ASP 221 Ca -0.18 -0.26 -0.35 0.00 -0.01 0.00 0.00 54.79 54.00 1jkv n ASP 221 Cb 0.53 -0.17 0.07 0.00 -1.03 0.00 0.00 41.12 40.52 1jkv n ASP 221 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1jkv s GLY 222 N -2.33 2.43 -0.04 6.12 0.00 -1.26 -4.97 107.32 107.26 1jkv s GLY 222 Ca 0.24 0.87 0.13 0.00 0.00 0.00 0.00 44.72 45.95 1jkv s GLY 222 CO 0.27 1.26 1.32 2.09 0.00 0.00 0.00 173.10 178.04 1jkv n ASP 223 N -2.36 3.25 -0.14 1.64 5.75 -1.26 -4.72 116.55 118.72 1jkv n ASP 223 Ca 0.13 -2.25 0.05 0.00 -0.01 0.00 0.00 54.79 52.72 1jkv n ASP 223 Cb 0.50 -0.32 0.36 0.00 -1.03 0.00 0.00 41.12 40.63 1jkv n ASP 223 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1jkv h GLY 224 N 2.13 0.86 1.95 6.12 0.00 -1.94 -1.73 103.07 110.47 1jkv h GLY 224 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1jkv h GLY 224 CO 0.06 0.24 0.00 -1.14 0.00 0.00 0.00 176.54 175.70 1jkv n SER 225 N -4.47 0.00 0.32 0.19 3.41 -1.26 -2.53 113.62 109.28 1jkv n SER 225 Ca 0.08 0.45 0.20 0.00 -0.26 0.00 0.00 58.87 59.34 1jkv n SER 225 Cb 0.16 -0.48 1.04 0.00 -0.26 0.00 0.00 64.21 64.67 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 -0.01 4.33 3.64 -1.67 -2.09 116.57 120.77 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 32.11 1jkv h LYS 226 CO 0.00 0.01 0.03 0.00 -2.27 0.00 0.00 179.45 177.22 1jkv h ALA 227 N 1.99 1.13 0.00 5.00 0.00 -1.69 -0.85 119.26 124.83 1jkv h ALA 227 Ca -0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1jkv h ALA 227 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1jkv h ALA 227 CO 0.00 -0.03 -0.20 0.74 0.00 0.00 0.00 179.25 179.76 1jkv h PHE 228 N 0.00 0.00 -2.10 0.00 0.04 -1.63 -3.44 116.94 109.80 1jkv h PHE 228 Ca 0.00 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.16 1jkv h PHE 228 Cb 0.06 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.25 1jkv h PHE 228 CO 0.00 0.20 0.84 -1.91 -0.60 0.00 0.00 178.31 176.84 1jkv n GLU 229 N -3.22 1.99 -0.14 1.51 2.13 -0.33 -1.48 120.64 121.09 1jkv n GLU 229 Ca 0.02 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.56 1jkv n GLU 229 Cb 0.52 -2.49 0.00 0.00 0.27 0.00 0.00 31.44 29.74 1jkv n GLU 229 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jkv n GLY 230 N 3.60 2.18 3.79 8.31 0.00 0.03 -4.99 105.19 118.11 1jkv n GLY 230 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.18 3.89 -0.23 1.61 -0.21 -0.55 -4.74 119.66 119.25 1jkv s GLN 231 Ca 0.00 1.45 -0.25 0.00 0.02 0.00 0.00 55.36 56.58 1jkv s GLN 231 Cb 0.00 -2.25 -0.01 0.00 1.00 0.00 0.00 33.01 31.75 1jkv s GLN 231 CO 0.00 -0.37 0.85 0.08 -2.12 0.00 0.00 175.29 173.73 1jkv s VAL 232 N -1.84 4.83 0.87 1.09 1.01 -1.26 -1.32 120.40 123.78 1jkv s VAL 232 Ca 0.64 1.62 -0.12 0.00 0.00 0.00 0.00 61.98 64.12 1jkv s VAL 232 Cb -0.19 -4.13 0.11 0.00 0.00 0.00 0.00 36.38 32.16 1jkv s VAL 232 CO 0.24 -0.06 1.12 0.00 0.00 0.00 0.00 175.10 176.39 1jkv s ALA 233 N 2.74 1.94 0.07 5.51 0.00 0.32 -4.90 121.76 127.44 1jkv s ALA 233 Ca 0.36 -0.39 0.32 0.00 0.00 0.00 0.00 51.96 52.26 1jkv s ALA 233 Cb -0.15 -3.07 1.54 0.00 0.00 0.00 0.00 23.12 21.44 1jkv s ALA 233 CO 0.08 -2.08 1.97 -0.22 0.00 0.00 0.00 175.76 175.51 1jkv h LYS 234 N -1.35 0.00 -0.29 0.00 3.64 -1.97 -0.49 116.57 116.11 1jkv h LYS 234 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1jkv h LYS 234 Cb 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1jkv h LYS 234 CO 0.61 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.39 1jkv n ASP 235 N -2.73 1.85 0.00 4.20 5.75 -1.26 -4.92 116.55 119.44 1jkv n ASP 235 Ca -0.00 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 1jkv n ASP 235 Cb 0.17 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 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 1.10 1.08 3.84 6.12 0.00 -0.19 -5.06 105.19 112.07 1jkv n GLY 236 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.53 3.24 0.40 1.61 2.12 -1.26 -4.80 118.70 119.48 1jkv s GLU 237 Ca 0.00 -0.40 -0.23 0.00 0.36 0.00 0.00 54.97 54.70 1jkv s GLU 237 Cb 0.00 -2.98 -0.09 0.00 0.26 0.00 0.00 34.13 31.32 1jkv s GLU 237 CO 0.00 0.67 1.01 0.15 -0.54 0.00 0.00 175.26 176.55 1jkv s LYS 238 N -1.77 4.21 0.24 4.30 1.02 -1.26 -0.52 119.74 125.96 1jkv s LYS 238 Ca 0.24 1.40 -0.30 0.00 0.02 0.00 0.00 55.97 57.33 1jkv s LYS 238 Cb -0.12 -2.48 -0.09 0.00 -0.52 0.00 0.00 37.83 34.62 1jkv s LYS 238 CO 0.15 -0.08 1.10 -0.06 -0.92 0.00 0.00 175.35 175.54 1jkv s PHE 239 N -1.77 3.60 0.49 3.18 0.08 -0.43 -4.87 117.98 118.26 1jkv s PHE 239 Ca 0.58 1.67 0.08 0.00 0.12 0.00 0.00 56.93 59.38 1jkv s PHE 239 Cb -0.19 -3.27 0.04 0.00 -0.57 0.00 0.00 43.02 39.03 1jkv s PHE 239 CO 0.24 -0.54 0.62 0.95 -0.10 0.00 0.00 175.22 176.39 1jkv s THR 240 N -0.83 2.47 -0.02 0.64 -4.23 -0.36 -0.79 115.64 112.52 1jkv s THR 240 Ca 0.46 -1.10 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 1jkv s THR 240 Cb -0.31 -2.56 0.02 0.00 1.34 0.00 0.00 72.50 70.98 1jkv s THR 240 CO 0.38 0.00 0.00 -0.47 -0.54 0.00 0.00 174.62 174.00 1jkv s TYR 241 N -2.54 0.17 -0.27 3.99 5.04 -1.26 -0.82 117.35 121.66 1jkv s TYR 241 Ca 0.55 0.02 0.02 0.00 -2.44 0.00 0.00 57.07 55.22 1jkv s TYR 241 Cb -0.07 -0.23 0.06 0.00 0.35 0.00 0.00 41.96 42.07 1jkv s TYR 241 CO 0.34 -0.07 -0.08 -1.14 -1.34 0.00 0.00 175.55 173.26 1jkv s GLN 242 N 0.59 2.29 0.29 4.97 0.74 -0.30 -4.94 119.66 123.30 1jkv s GLN 242 Ca -0.05 -1.33 0.07 0.00 0.05 0.00 0.00 55.36 54.09 1jkv s GLN 242 Cb -0.08 -2.97 0.43 0.00 1.10 0.00 0.00 33.01 31.48 1jkv s GLN 242 CO -0.01 -0.59 1.68 1.49 -0.55 0.00 0.00 175.29 177.31 1jkv h GLU 243 N 7.83 0.20 -2.84 1.67 4.81 -1.91 -1.97 114.58 122.38 1jkv h GLU 243 Ca -0.19 -0.10 -0.61 0.00 -0.13 0.00 0.00 59.36 58.32 1jkv h GLU 243 Cb 1.05 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 30.03 1jkv h GLU 243 CO 0.48 0.63 -0.75 -0.80 -0.73 0.00 0.00 179.01 177.84 1jkv s ASN 244 N -6.88 3.41 0.43 1.04 0.01 -1.26 -4.62 114.94 107.07 1jkv s ASN 244 Ca -0.04 -3.24 -0.25 0.00 -0.71 0.00 0.00 52.86 48.63 1jkv s ASN 244 Cb 0.13 -1.09 -0.10 0.00 0.41 0.00 0.00 41.25 40.61 1jkv s ASN 244 CO 0.77 -0.17 1.18 -2.65 -1.51 0.00 0.00 177.10 174.72 1jkv n PRO 245 N 2.72 1.69 -4.20 -0.60 -0.02 -1.26 -4.98 135.00 128.36 1jkv n PRO 245 Ca 0.19 0.60 -0.32 0.00 -2.02 0.00 0.00 63.50 61.96 1jkv n PRO 245 Cb 0.39 -2.26 -0.08 0.00 -0.02 0.00 0.00 33.50 31.53 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 -2.17 2.76 -0.58 -0.52 -1.05 -1.26 -5.06 118.70 110.82 1jkv s GLU 246 Ca 0.62 -0.67 -0.25 0.00 -0.15 0.00 0.00 54.97 54.52 1jkv s GLU 246 Cb -0.52 -2.66 0.04 0.00 -0.44 0.00 0.00 34.13 30.55 1jkv s GLU 246 CO 0.57 0.60 1.03 0.00 0.95 0.00 0.00 175.26 178.41 1jkv s ALA 247 N -1.19 3.08 -1.63 -0.84 0.00 -1.26 -4.91 121.76 115.01 1jkv s ALA 247 Ca 0.23 -1.20 0.23 0.00 0.00 0.00 0.00 51.96 51.22 1jkv s ALA 247 Cb -0.12 -3.86 0.18 0.00 0.00 0.00 0.00 23.12 19.32 1jkv s ALA 247 CO 0.14 -2.56 1.19 -1.33 0.00 0.00 0.00 175.76 173.21 1jkv n MET 248 N 7.87 0.73 -0.13 0.00 0.00 -1.26 -4.71 117.12 119.62 1jkv n MET 248 Ca 0.03 -0.55 0.12 0.00 0.00 0.00 0.00 57.70 57.30 1jkv n MET 248 Cb 0.48 -1.49 0.20 0.00 0.00 0.00 0.00 33.22 32.41 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 0.22 3.03 0.00 -1.26 -5.09 105.19 104.94 1jkv n GLY 249 Ca 0.08 -0.71 0.03 0.00 0.00 0.00 0.00 46.02 45.43 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 1.44 -1.85 3.58 -0.02 0.00 -1.26 -4.84 105.19 102.24 1jkv n GLY 250 Ca 0.18 -1.45 -0.40 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.90 5.10 0.61 -0.61 1.01 -1.26 -5.06 121.20 119.10 1jkv s ILE 251 Ca 0.00 0.43 -0.19 0.00 0.00 0.00 0.00 60.65 60.89 1jkv s ILE 251 Cb 0.00 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 1jkv s ILE 251 CO 0.00 -0.04 1.26 -2.84 0.00 0.00 0.00 174.94 173.32 1jkv s PRO 252 N 2.21 2.80 -0.35 2.79 0.02 -1.26 -5.01 135.00 136.20 1jkv s PRO 252 Ca 0.17 1.98 0.03 0.00 0.02 0.00 0.00 61.00 63.19 1jkv s PRO 252 Cb -0.16 -1.93 0.16 0.00 0.02 0.00 0.00 34.50 32.59 1jkv s PRO 252 CO 0.11 -1.38 0.40 -1.58 -0.33 0.00 0.00 177.00 174.23 1jkv s HIS 253 N -1.47 -0.58 0.26 6.54 2.46 -1.26 -5.15 115.29 116.09 1jkv s HIS 253 Ca 0.79 -0.46 -0.16 0.00 0.47 0.00 0.00 55.06 55.69 1jkv s HIS 253 Cb -0.35 -0.30 -0.08 0.00 -0.13 0.00 0.00 32.58 31.72 1jkv s HIS 253 CO 0.37 -0.99 0.70 0.42 -2.47 0.00 0.00 174.74 172.77 1jkv s ILE 254 N 1.75 4.67 0.22 0.89 1.01 -1.26 -5.04 121.20 123.44 1jkv s ILE 254 Ca 0.15 1.03 -0.30 0.00 0.00 0.00 0.00 60.65 61.53 1jkv s ILE 254 Cb -0.13 -3.72 -0.09 0.00 0.01 0.00 0.00 42.46 38.52 1jkv s ILE 254 CO -0.11 0.02 1.39 -0.54 0.00 0.00 0.00 174.94 175.71 1jkv s LYS 255 N -2.46 4.31 0.35 2.79 1.02 -1.26 -4.98 119.74 119.52 1jkv s LYS 255 Ca 0.47 2.20 -0.27 0.00 0.02 0.00 0.00 55.97 58.39 1jkv s LYS 255 Cb -0.13 -3.15 -0.12 0.00 -0.52 0.00 0.00 37.83 33.91 1jkv s LYS 255 CO 0.19 -0.37 1.16 -2.30 -0.92 0.00 0.00 175.35 173.12 1jkv n PRO 256 N 2.60 1.77 -1.64 -1.68 -0.02 -1.26 -4.97 135.00 129.79 1jkv n PRO 256 Ca 0.07 0.62 -0.30 0.00 -2.02 0.00 0.00 63.50 61.88 1jkv n PRO 256 Cb 0.41 -2.16 0.09 0.00 -0.02 0.00 0.00 33.50 31.82 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 -0.48 1.61 0.22 -1.23 0.00 -1.26 -5.00 107.32 101.18 1jkv s GLY 257 Ca 0.58 -0.32 -0.31 0.00 0.00 0.00 0.00 44.72 44.67 1jkv s GLY 257 CO 0.60 0.12 1.23 1.34 0.00 0.00 0.00 173.10 176.40 1jkv n ASP 258 N -3.39 1.89 0.22 1.64 -0.08 -1.26 -4.87 116.55 110.70 1jkv n ASP 258 Ca 0.07 1.15 0.18 0.00 -1.51 0.00 0.00 54.79 54.68 1jkv n ASP 258 Cb 0.57 -1.31 0.85 0.00 2.34 0.00 0.00 41.12 43.57 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 3.45 0.00 0.00 -0.67 0.11 -2.00 -1.14 132.00 131.75 1jkv h PRO 259 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1jkv h PRO 259 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1jkv h PRO 259 CO 0.70 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.49 1jkv h ARG 260 N 0.00 0.00 0.00 1.05 3.08 -2.04 -1.66 114.38 114.81 1jkv h ARG 260 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1jkv h ARG 260 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1jkv h ARG 260 CO -0.00 0.00 -0.40 -0.07 -1.07 0.00 0.00 179.97 178.43 1jkv h LEU 261 N 0.00 0.00 -1.20 3.04 3.38 -1.55 -3.48 115.31 115.49 1jkv h LEU 261 Ca 0.00 -0.10 -0.39 0.00 0.09 0.00 0.00 57.88 57.48 1jkv h LEU 261 Cb 0.08 0.00 0.11 0.00 0.09 0.00 0.00 40.66 40.95 1jkv h LEU 261 CO 0.00 0.05 -0.73 1.41 0.09 0.00 0.00 178.44 179.26 1jkv n HIS 262 N -2.33 -2.50 -2.22 1.13 8.25 -0.62 -4.88 115.22 112.04 1jkv n HIS 262 Ca 0.04 0.96 -0.43 0.00 -0.26 0.00 0.00 57.72 58.03 1jkv n HIS 262 Cb 0.46 -4.84 0.00 0.00 1.12 0.00 0.00 29.99 26.73 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 -3.03 4.63 -4.55 0.41 3.02 -1.26 -4.93 115.26 109.55 1jkv n ASN 263 Ca -0.11 -2.97 -0.42 0.00 -0.03 0.00 0.00 54.58 51.06 1jkv n ASN 263 Cb 0.60 -1.60 -0.03 0.00 -0.61 0.00 0.00 39.78 38.14 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 2.12 2.58 -0.04 3.10 3.76 -1.26 -4.82 115.29 120.74 1jkv s HIS 264 Ca 0.45 0.10 0.00 0.00 -0.15 0.00 0.00 55.06 55.46 1jkv s HIS 264 Cb 0.09 -4.41 0.01 0.00 1.11 0.00 0.00 32.58 29.38 1jkv s HIS 264 CO -0.02 -1.65 0.95 1.04 -0.85 0.00 0.00 174.74 174.21 1jkv n GLN 265 N 8.34 2.54 -0.49 1.40 6.02 -1.26 -5.29 117.38 128.64 1jkv n GLN 265 Ca 0.04 -1.41 0.00 0.00 -0.01 0.00 0.00 57.00 55.63 1jkv n GLN 265 Cb 0.48 -1.01 0.00 0.00 1.02 0.00 0.00 30.24 30.73 1jkv n GLN 265 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46