#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 0.09 1.12 0.40 -1.26 -5.16 117.98 115.37 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 -1.06 -0.04 0.00 0.51 0.00 0.00 43.02 42.44 1jkv s PHE 2 CO 0.00 0.50 -0.10 0.15 0.70 0.00 0.00 175.22 176.47 1jkv s LYS 3 N -2.86 0.84 -0.01 0.44 -0.14 -1.26 -5.17 119.74 111.59 1jkv s LYS 3 Ca 0.21 -1.14 0.05 0.00 -1.36 0.00 0.00 55.97 53.74 1jkv s LYS 3 Cb -0.07 -0.55 -0.01 0.00 -1.68 0.00 0.00 37.83 35.51 1jkv s LYS 3 CO 0.10 0.09 -0.17 -1.58 -0.76 0.00 0.00 175.35 173.02 1jkv s HIS 4 N -2.35 1.55 0.04 3.18 5.65 -1.26 -5.14 115.29 116.96 1jkv s HIS 4 Ca 0.05 -0.30 0.07 0.00 0.25 0.00 0.00 55.06 55.13 1jkv s HIS 4 Cb -0.03 -0.99 -0.03 0.00 -1.18 0.00 0.00 32.58 30.35 1jkv s HIS 4 CO 0.00 -0.01 -0.18 -0.08 -0.65 0.00 0.00 174.74 173.82 1jkv s THR 5 N -0.45 2.80 -0.02 0.89 -1.32 -1.26 -5.03 115.64 111.24 1jkv s THR 5 Ca 0.06 -1.20 0.32 0.00 -1.21 0.00 0.00 61.69 59.66 1jkv s THR 5 Cb -0.07 -2.19 0.37 0.00 -1.51 0.00 0.00 72.50 69.11 1jkv s THR 5 CO -0.00 0.32 1.92 0.03 -2.21 0.00 0.00 174.62 174.68 1jkv h ARG 6 N 4.49 0.00 -6.64 7.08 2.47 -2.08 -3.43 114.38 116.26 1jkv h ARG 6 Ca -0.48 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 57.72 1jkv h ARG 6 Cb 1.16 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.49 1jkv h ARG 6 CO 0.48 0.00 0.55 0.15 0.56 0.00 0.00 179.97 181.71 1jkv s LYS 7 N -3.58 4.49 0.64 0.04 1.02 -1.26 -5.02 119.74 116.07 1jkv s LYS 7 Ca 0.02 1.85 -0.15 0.00 0.02 0.00 0.00 55.97 57.72 1jkv s LYS 7 Cb 0.09 -3.26 -0.01 0.00 -0.52 0.00 0.00 37.83 34.13 1jkv s LYS 7 CO 0.54 -0.10 1.08 -0.51 -0.92 0.00 0.00 175.35 175.45 1jkv s LEU 8 N -0.07 3.39 0.21 3.17 1.43 -1.26 -4.96 118.68 120.60 1jkv s LEU 8 Ca 0.53 1.89 -0.10 0.00 -1.03 0.00 0.00 54.13 55.43 1jkv s LEU 8 Cb -0.32 -4.54 0.17 0.00 0.03 0.00 0.00 46.19 41.53 1jkv s LEU 8 CO 0.35 -1.46 1.89 -0.61 0.23 0.00 0.00 176.35 176.75 1jkv h GLN 9 N 0.07 1.03 -3.59 1.70 4.15 -1.95 -3.45 115.11 113.07 1jkv h GLN 9 Ca -0.46 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 58.81 1jkv h GLN 9 Cb 1.23 -0.23 -0.15 0.00 0.21 0.00 0.00 27.48 28.54 1jkv h GLN 9 CO 0.55 0.68 -0.28 -0.47 -1.93 0.00 0.00 178.83 177.39 1jkv s TYR 10 N -6.13 0.01 0.25 3.99 5.04 -1.26 -5.14 117.35 114.11 1jkv s TYR 10 Ca -0.13 -0.34 -0.29 0.00 -2.44 0.00 0.00 57.07 53.87 1jkv s TYR 10 Cb 0.15 0.05 -0.15 0.00 0.35 0.00 0.00 41.96 42.37 1jkv s TYR 10 CO 0.78 -0.57 0.99 0.09 -1.34 0.00 0.00 175.55 175.51 1jkv n ASN 11 N 0.08 1.01 -2.70 4.32 3.02 -1.26 -4.95 115.26 114.79 1jkv n ASN 11 Ca -0.16 1.16 -0.07 0.00 -0.03 0.00 0.00 54.58 55.48 1jkv n ASN 11 Cb 0.62 -1.23 0.04 0.00 -0.61 0.00 0.00 39.78 38.60 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 3.06 -3.63 5.41 0.00 -1.26 -4.38 120.51 120.21 1jkv n ALA 12 Ca 0.12 -2.85 -0.28 0.00 0.00 0.00 0.00 53.44 50.43 1jkv n ALA 12 Cb 0.29 -0.93 -0.17 0.00 0.00 0.00 0.00 19.45 18.65 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 -2.91 2.12 0.54 0.00 2.20 -1.26 -3.58 119.74 116.86 1jkv s LYS 13 Ca 0.26 -0.53 -0.13 0.00 -0.36 0.00 0.00 55.97 55.22 1jkv s LYS 13 Cb 0.43 -1.81 -0.06 0.00 -1.51 0.00 0.00 37.83 34.88 1jkv s LYS 13 CO 0.01 -0.06 0.96 -1.25 -0.36 0.00 0.00 175.35 174.66 1jkv s PRO 14 N 0.97 3.75 0.30 4.03 0.04 -1.26 -4.29 135.00 138.53 1jkv s PRO 14 Ca -0.07 0.75 0.07 0.00 0.04 0.00 0.00 61.00 61.79 1jkv s PRO 14 Cb -0.15 -2.16 0.46 0.00 0.04 0.00 0.00 34.50 32.69 1jkv s PRO 14 CO -0.01 -0.37 1.70 -0.44 0.04 0.00 0.00 177.00 177.92 1jkv h ASP 15 N 0.36 0.21 -5.16 6.66 3.32 -1.91 -3.47 116.42 116.43 1jkv h ASP 15 Ca -0.46 -0.09 -0.12 0.00 0.02 0.00 0.00 57.03 56.39 1jkv h ASP 15 Cb 1.19 -0.06 -0.16 0.00 0.22 0.00 0.00 39.33 40.52 1jkv h ASP 15 CO 0.62 0.62 -0.57 -0.13 -1.72 0.00 0.00 179.24 178.06 1jkv s ARG 16 N -4.09 0.64 0.60 3.56 0.52 -1.26 -5.08 118.95 113.84 1jkv s ARG 16 Ca -0.04 -1.00 -0.17 0.00 -0.52 0.00 0.00 55.73 54.00 1jkv s ARG 16 Cb 0.13 0.24 -0.03 0.00 0.52 0.00 0.00 34.95 35.81 1jkv s ARG 16 CO 0.77 -0.15 1.09 -1.54 0.02 0.00 0.00 175.30 175.49 1jkv s SER 17 N -2.60 5.54 -0.31 0.23 1.04 -1.26 -4.83 113.70 111.50 1jkv s SER 17 Ca 0.02 1.99 -0.06 0.00 0.48 0.00 0.00 55.95 58.38 1jkv s SER 17 Cb 0.04 -2.55 0.19 0.00 0.10 0.00 0.00 66.02 63.79 1jkv s SER 17 CO -0.08 -1.34 0.91 -0.62 0.98 0.00 0.00 173.24 173.09 1jkv s ASP 18 N -2.39 -0.76 0.21 7.02 -1.08 -0.34 -5.05 116.67 114.28 1jkv s ASP 18 Ca 0.67 -0.03 0.25 0.00 -0.52 0.00 0.00 52.55 52.92 1jkv s ASP 18 Cb -0.20 1.34 0.90 0.00 -1.46 0.00 0.00 42.92 43.51 1jkv s ASP 18 CO 0.35 -0.12 1.74 -0.81 0.52 0.00 0.00 175.17 176.85 1jkv n PRO 19 N 4.87 0.20 0.00 4.34 -0.04 -1.19 -1.78 135.00 141.41 1jkv n PRO 19 Ca 0.08 0.29 -0.18 0.00 -0.04 0.00 0.00 63.50 63.66 1jkv n PRO 19 Cb 0.58 -1.80 -0.11 0.00 -0.04 0.00 0.00 33.50 32.13 1jkv n PRO 19 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1jkv h ILE 20 N 0.00 1.40 -0.60 0.52 1.08 -1.90 -2.60 117.51 115.41 1jkv h ILE 20 Ca 0.00 -2.06 -0.05 0.00 -0.39 0.00 0.00 64.86 62.35 1jkv h ILE 20 Cb 0.54 2.52 -0.03 0.00 -3.07 0.00 0.00 36.82 36.78 1jkv h ILE 20 CO 0.00 0.61 0.15 -0.03 -0.69 0.00 0.00 178.15 178.19 1jkv h MET 21 N -0.02 0.92 -0.61 2.37 4.05 -1.88 -1.85 114.93 117.92 1jkv h MET 21 Ca -0.08 -0.20 0.09 0.00 -0.28 0.00 0.00 59.70 59.24 1jkv h MET 21 Cb 1.33 -0.14 -0.07 0.00 -0.80 0.00 0.00 31.60 31.93 1jkv h MET 21 CO 0.13 0.82 0.26 0.00 0.23 0.00 0.00 176.91 178.34 1jkv h ALA 22 N 1.28 0.80 -0.69 0.39 0.00 -1.34 -1.16 119.26 118.54 1jkv h ALA 22 Ca 0.19 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1jkv h ALA 22 Cb 0.31 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1jkv h ALA 22 CO -0.00 -0.15 0.29 -0.09 0.00 0.00 0.00 179.25 179.30 1jkv h ARG 23 N 0.46 1.01 -0.56 0.00 2.43 -1.06 -2.82 114.38 113.84 1jkv h ARG 23 Ca 0.30 -0.17 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1jkv h ARG 23 Cb 0.34 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1jkv h ARG 23 CO -0.28 0.83 0.37 0.00 -1.51 0.00 0.00 179.97 179.38 1jkv h ARG 24 N 0.97 0.72 0.00 0.20 3.08 -0.74 -2.40 114.38 116.21 1jkv h ARG 24 Ca 0.23 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1jkv h ARG 24 Cb 0.18 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1jkv h ARG 24 CO -0.02 0.48 0.00 1.28 -1.07 0.00 0.00 179.97 180.64 1jkv n LEU 25 N -4.71 0.54 0.30 3.04 4.77 -0.49 -1.31 117.00 119.14 1jkv n LEU 25 Ca 0.04 0.69 0.16 0.00 -0.03 0.00 0.00 56.01 56.86 1jkv n LEU 25 Cb 0.03 -0.68 0.92 0.00 -2.33 0.00 0.00 43.42 41.36 1jkv n LEU 25 CO 0.35 -0.71 1.11 1.56 -1.33 0.00 0.00 177.39 178.37 1jkv h GLN 26 N 0.00 0.00 -0.85 3.23 1.08 -1.19 -1.15 115.11 116.23 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 0.18 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.57 1jkv h GLN 26 CO 0.00 0.02 0.53 1.49 -0.95 0.00 0.00 178.83 179.92 1jkv h GLU 27 N 0.00 1.13 0.00 1.46 4.57 -1.37 0.42 114.58 120.79 1jkv h GLU 27 Ca -0.00 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 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 -0.88 113.55 113.48 1jkv h SER 28 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 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 -0.55 -0.11 -1.14 0.00 0.00 176.83 174.97 1jkv n LEU 29 N -3.04 1.45 -0.92 5.07 7.94 -1.03 -0.49 117.00 125.99 1jkv n LEU 29 Ca 0.02 0.44 0.09 0.00 -1.11 0.00 0.00 56.01 55.45 1jkv n LEU 29 Cb 0.41 -0.75 0.18 0.00 0.53 0.00 0.00 43.42 43.79 1jkv n LEU 29 CO 0.30 -0.42 0.65 0.61 -1.11 0.00 0.00 177.39 177.42 1jkv n GLY 30 N 1.58 1.79 3.92 -3.96 0.00 0.11 -3.55 105.19 105.06 1jkv n GLY 30 Ca -0.08 -0.58 -0.27 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.19 1.65 0.24 -0.02 0.00 -0.33 -3.73 107.32 103.94 1jkv s GLY 31 Ca 0.31 -0.78 -0.13 0.00 0.00 0.00 0.00 44.72 44.12 1jkv s GLY 31 CO 0.24 -0.38 1.58 -1.61 0.00 0.00 0.00 173.10 172.93 1jkv h GLN 32 N -0.62 -0.02 -0.32 2.90 4.15 -1.95 -2.23 115.11 117.01 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 1.30 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.00 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 -5.52 0.90 -1.24 3.99 7.02 -1.26 -4.78 117.44 116.55 1jkv n TRP 33 Ca 0.11 -0.76 -0.02 0.00 -1.02 0.00 0.00 57.50 55.81 1jkv n TRP 33 Cb 0.41 -0.24 0.02 0.00 -2.42 0.00 0.00 31.31 29.07 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 -0.10 -0.90 0.17 6.99 0.00 -0.84 -4.36 105.19 106.16 1jkv n GLY 34 Ca 0.19 -1.71 0.01 0.00 0.00 0.00 0.00 46.02 44.51 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 0.03 -0.51 1.61 4.39 -0.98 -1.82 114.58 117.30 1jkv h GLU 35 Ca -0.03 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 1jkv h GLU 35 Cb 0.10 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1jkv h GLU 35 CO 0.02 0.48 -0.12 1.15 -1.16 0.00 0.00 179.01 179.38 1jkv h THR 36 N 0.03 1.27 -0.53 1.13 2.02 -1.76 -0.24 112.91 114.83 1jkv h THR 36 Ca -0.00 -1.26 0.03 0.00 0.77 0.00 0.00 66.41 65.95 1jkv h THR 36 Cb 0.81 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.18 1jkv h THR 36 CO 0.06 0.44 0.30 0.74 0.37 0.00 0.00 175.52 177.43 1jkv h THR 37 N 0.85 1.02 -0.03 3.16 2.02 -1.62 -1.03 112.91 117.28 1jkv h THR 37 Ca 0.13 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 1jkv h THR 37 Cb 0.67 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1jkv h THR 37 CO 0.05 0.11 0.01 1.23 0.37 0.00 0.00 175.52 177.28 1jkv h GLY 38 N 0.58 0.05 0.27 2.16 0.00 -1.17 -0.70 103.07 104.26 1jkv h GLY 38 Ca 0.22 -0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.57 1jkv h GLY 38 CO -0.12 0.03 -0.22 1.98 0.00 0.00 0.00 176.54 178.20 1jkv h MET 39 N -0.15 -0.25 -0.14 4.80 -1.53 -0.92 -0.69 114.93 116.05 1jkv h MET 39 Ca 0.01 0.02 -0.17 0.00 -3.44 0.00 0.00 59.70 56.12 1jkv h MET 39 Cb 0.20 0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.30 1jkv h MET 39 CO -0.00 -0.17 -0.62 0.52 0.14 0.00 0.00 176.91 176.78 1jkv h MET 40 N -0.26 0.49 -0.11 0.39 2.86 -1.18 -2.01 114.93 115.11 1jkv h MET 40 Ca 0.11 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 1jkv h MET 40 Cb 0.43 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 1jkv h MET 40 CO -0.32 0.96 0.01 0.77 1.06 0.00 0.00 176.91 179.38 1jkv h SER 41 N 0.36 0.19 -0.29 1.22 0.02 -0.97 -1.56 113.55 112.53 1jkv h SER 41 Ca -0.01 -0.29 -0.17 0.00 -0.84 0.00 0.00 61.79 60.48 1jkv h SER 41 Cb 1.17 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.66 1jkv h SER 41 CO 0.11 0.43 -0.48 1.88 -1.14 0.00 0.00 176.83 177.64 1jkv h TYR 42 N -0.06 1.03 -0.51 3.45 0.05 -1.11 -0.92 116.97 118.90 1jkv h TYR 42 Ca 0.03 -0.36 -0.02 0.00 0.05 0.00 0.00 58.73 58.43 1jkv h TYR 42 Cb 0.33 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.85 1jkv h TYR 42 CO 0.03 1.17 0.23 -0.07 -1.05 0.00 0.00 178.16 178.47 1jkv h LEU 43 N 0.60 0.67 -0.12 3.88 3.38 -1.44 -0.09 115.31 122.19 1jkv h LEU 43 Ca 0.02 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1jkv h LEU 43 Cb 1.08 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1jkv h LEU 43 CO 0.11 0.63 0.06 0.28 0.09 0.00 0.00 178.44 179.60 1jkv h SER 44 N 0.68 0.08 -0.57 -0.43 0.02 -1.13 -0.01 113.55 112.19 1jkv h SER 44 Ca 0.17 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1jkv h SER 44 Cb 0.14 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 1jkv h SER 44 CO -0.02 0.07 0.16 1.56 -1.14 0.00 0.00 176.83 177.46 1jkv h GLN 45 N 0.13 0.94 -0.19 3.45 4.20 -1.11 -1.51 115.11 121.02 1jkv h GLN 45 Ca 0.05 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.50 1jkv h GLN 45 Cb 0.01 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 1jkv h GLN 45 CO -0.04 0.83 -0.10 0.78 -0.67 0.00 0.00 178.83 179.63 1jkv h GLY 46 N 1.02 0.44 1.29 3.46 0.00 -0.70 -1.88 103.07 106.69 1jkv h GLY 46 Ca 0.20 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 1jkv h GLY 46 CO -0.00 0.37 0.32 1.49 0.00 0.00 0.00 176.54 178.71 1jkv h TRP 47 N 0.09 0.92 0.00 5.60 6.55 -0.91 -2.77 115.95 125.42 1jkv h TRP 47 Ca 0.04 -0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.85 1jkv h TRP 47 Cb 0.60 -0.29 0.00 0.00 -0.86 0.00 0.00 29.16 28.61 1jkv h TRP 47 CO 0.07 0.67 0.00 0.00 -1.05 0.00 0.00 178.44 178.13 1jkv n ALA 48 N -2.44 2.21 -2.60 1.49 0.00 -0.58 -4.84 120.51 113.75 1jkv n ALA 48 Ca 0.06 -0.09 -0.41 0.00 0.00 0.00 0.00 53.44 53.00 1jkv n ALA 48 Cb 0.13 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.95 7.28 0.00 0.00 0.15 -0.73 -4.91 113.70 112.53 1jkv s SER 49 Ca 0.14 1.54 0.15 0.00 0.70 0.00 0.00 55.95 58.48 1jkv s SER 49 Cb 0.17 -2.52 0.27 0.00 -1.71 0.00 0.00 66.02 62.23 1jkv s SER 49 CO 0.47 -0.16 1.16 0.35 1.20 0.00 0.00 173.24 176.26 1jkv n THR 50 N 3.56 0.51 -0.45 6.45 -2.24 -1.26 -5.02 114.28 115.83 1jkv n THR 50 Ca 0.03 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1jkv n THR 50 Cb 0.51 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 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 0.86 1.66 3.72 3.38 0.00 -1.26 -5.01 105.19 108.53 1jkv n GLY 51 Ca 0.12 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 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 2.18 0.17 4.61 0.00 -1.26 -4.85 120.51 118.36 1jkv n ALA 52 Ca 0.00 0.39 0.06 0.00 0.00 0.00 0.00 53.44 53.89 1jkv n ALA 52 Cb 0.00 -2.42 0.53 0.00 0.00 0.00 0.00 19.45 17.56 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 5.08 0.16 -0.75 0.00 4.39 -1.98 -2.05 114.58 119.44 1jkv h GLU 53 Ca -0.46 -0.02 0.16 0.00 0.34 0.00 0.00 59.36 59.38 1jkv h GLU 53 Cb 1.23 -0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 29.75 1jkv h GLU 53 CO 0.82 0.17 0.22 -0.22 -1.16 0.00 0.00 179.01 178.84 1jkv h LYS 54 N 0.16 0.31 0.10 2.33 3.64 -1.99 -0.16 116.57 120.96 1jkv h LYS 54 Ca 0.04 -0.02 -0.34 0.00 -1.27 0.00 0.00 60.65 59.06 1jkv h LYS 54 Cb 0.10 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1jkv h LYS 54 CO 0.00 0.20 -1.86 1.88 -2.27 0.00 0.00 179.45 177.40 1jkv h TYR 55 N 0.32 0.39 -0.27 1.91 0.05 -1.83 -2.90 116.97 114.64 1jkv h TYR 55 Ca 0.42 -0.29 -0.00 0.00 0.05 0.00 0.00 58.73 58.91 1jkv h TYR 55 Cb 0.71 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.42 1jkv h TYR 55 CO -0.23 1.56 0.15 -0.22 -1.05 0.00 0.00 178.16 178.37 1jkv h LYS 56 N 0.06 0.37 -0.48 4.88 3.64 -1.25 -1.41 116.57 122.38 1jkv h LYS 56 Ca -0.37 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 58.86 1jkv h LYS 56 Cb 2.03 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.76 1jkv h LYS 56 CO 0.10 0.32 -0.17 0.22 -2.27 0.00 0.00 179.45 177.65 1jkv h ASP 57 N 0.33 0.94 -0.64 4.20 3.58 -1.18 -2.04 116.42 121.61 1jkv h ASP 57 Ca 0.10 -0.33 0.07 0.00 0.42 0.00 0.00 57.03 57.29 1jkv h ASP 57 Cb 0.05 -0.26 -0.06 0.00 1.72 0.00 0.00 39.33 40.78 1jkv h ASP 57 CO -0.02 1.09 0.32 0.25 -2.88 0.00 0.00 179.24 178.01 1jkv h LEU 58 N 0.82 0.44 -0.44 2.28 5.85 -1.28 0.19 115.31 123.17 1jkv h LEU 58 Ca 0.12 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 1jkv h LEU 58 Cb 0.72 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1jkv h LEU 58 CO 0.05 0.28 0.12 -0.07 -0.34 0.00 0.00 178.44 178.48 1jkv h LEU 59 N 0.59 0.66 -0.47 2.25 3.38 -0.95 -1.28 115.31 119.48 1jkv h LEU 59 Ca 0.30 -0.23 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 1jkv h LEU 59 Cb 0.26 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1jkv h LEU 59 CO -0.22 0.72 -0.42 -0.07 0.09 0.00 0.00 178.44 178.54 1jkv h LEU 60 N 0.58 0.86 -0.20 1.67 3.38 -1.01 0.26 115.31 120.85 1jkv h LEU 60 Ca 0.14 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 57.74 1jkv h LEU 60 Cb 0.31 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1jkv h LEU 60 CO 0.00 1.16 -0.04 0.44 0.09 0.00 0.00 178.44 180.09 1jkv h ASP 61 N 0.65 -0.17 -0.09 -0.43 3.32 -0.53 -2.06 116.42 117.11 1jkv h ASP 61 Ca 0.05 0.06 -0.24 0.00 0.02 0.00 0.00 57.03 56.91 1jkv h ASP 61 Cb 0.99 0.12 0.01 0.00 0.22 0.00 0.00 39.33 40.67 1jkv h ASP 61 CO 0.09 -0.06 -0.89 0.74 -1.72 0.00 0.00 179.24 177.41 1jkv h THR 62 N 0.01 1.27 -1.00 0.35 2.02 -1.11 -1.71 112.91 112.74 1jkv h THR 62 Ca 0.10 -2.08 0.02 0.00 0.77 0.00 0.00 66.41 65.22 1jkv h THR 62 Cb 0.14 2.13 -0.05 0.00 -1.74 0.00 0.00 68.15 68.63 1jkv h THR 62 CO -0.20 0.65 0.66 1.23 0.37 0.00 0.00 175.52 178.23 1jkv h GLY 63 N 0.49 1.43 0.98 2.16 0.00 -0.96 0.50 103.07 107.68 1jkv h GLY 63 Ca -0.08 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.67 1jkv h GLY 63 CO 0.18 0.47 0.03 -0.84 0.00 0.00 0.00 176.54 176.38 1jkv h THR 64 N 1.31 1.26 -0.71 4.70 2.02 -1.28 -2.69 112.91 117.52 1jkv h THR 64 Ca 0.38 -1.01 0.06 0.00 0.77 0.00 0.00 66.41 66.62 1jkv h THR 64 Cb -0.08 1.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.27 1jkv h THR 64 CO -0.10 0.35 0.40 -0.08 0.37 0.00 0.00 175.52 176.46 1jkv h GLU 65 N 0.66 0.70 -0.08 6.66 4.81 -0.63 -2.51 114.58 124.20 1jkv h GLU 65 Ca 0.13 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1jkv h GLU 65 Cb 0.46 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1jkv h GLU 65 CO 0.02 0.47 -0.04 0.93 -0.73 0.00 0.00 179.01 179.66 1jkv h GLU 66 N 0.73 0.11 -0.93 1.92 4.39 -0.66 0.38 114.58 120.52 1jkv h GLU 66 Ca 0.32 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 60.05 1jkv h GLU 66 Cb 0.21 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.78 1jkv h GLU 66 CO -0.19 0.16 0.61 0.52 -1.16 0.00 0.00 179.01 178.95 1jkv h MET 67 N 0.11 1.09 -0.48 2.33 2.86 -1.13 0.21 114.93 119.92 1jkv h MET 67 Ca 0.03 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 1jkv h MET 67 Cb 0.14 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1jkv h MET 67 CO 0.01 0.72 0.14 0.00 1.06 0.00 0.00 176.91 178.84 1jkv h ALA 68 N 1.47 1.35 -0.28 6.32 0.00 -0.90 -2.05 119.26 125.18 1jkv h ALA 68 Ca 0.38 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.94 1jkv h ALA 68 Cb 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1jkv h ALA 68 CO -0.13 0.47 -0.55 0.45 0.00 0.00 0.00 179.25 179.49 1jkv h HIS 69 N 0.69 1.09 -0.46 0.00 -0.00 -0.90 -1.27 115.15 114.31 1jkv h HIS 69 Ca 0.16 -0.39 0.08 0.00 -0.00 0.00 0.00 60.37 60.22 1jkv h HIS 69 Cb 0.22 -0.20 -0.07 0.00 -0.00 0.00 0.00 27.41 27.36 1jkv h HIS 69 CO 0.01 1.22 0.07 0.28 -0.00 0.00 0.00 177.93 179.51 1jkv h VAL 70 N 0.65 0.72 -0.68 2.45 2.07 -0.86 -0.12 116.25 120.47 1jkv h VAL 70 Ca 0.01 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1jkv h VAL 70 Cb 1.16 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1jkv h VAL 70 CO 0.12 0.04 0.44 -0.08 0.02 0.00 0.00 177.57 178.10 1jkv h GLU 71 N 0.19 0.85 -0.22 1.57 4.81 -1.19 -0.95 114.58 119.65 1jkv h GLU 71 Ca 0.23 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1jkv h GLU 71 Cb 0.31 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1jkv h GLU 71 CO -0.32 0.56 0.11 0.52 -0.73 0.00 0.00 179.01 179.15 1jkv h MET 72 N 0.87 0.31 -0.48 1.92 2.86 -0.72 -1.44 114.93 118.25 1jkv h MET 72 Ca 0.26 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.80 1jkv h MET 72 Cb -0.04 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1jkv h MET 72 CO -0.08 0.30 0.08 0.82 1.06 0.00 0.00 176.91 179.09 1jkv h ILE 73 N 0.23 1.25 -0.30 -1.22 1.08 -0.81 -0.29 117.51 117.45 1jkv h ILE 73 Ca 0.07 -0.92 0.06 0.00 -0.39 0.00 0.00 64.86 63.69 1jkv h ILE 73 Cb 0.09 0.91 -0.06 0.00 -3.07 0.00 0.00 36.82 34.69 1jkv h ILE 73 CO -0.01 0.32 -0.10 -1.28 -0.69 0.00 0.00 178.15 176.39 1jkv h SER 74 N 0.67 -0.36 -0.08 1.72 0.87 -1.13 -0.96 113.55 114.29 1jkv h SER 74 Ca 0.15 0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.82 1jkv h SER 74 Cb 0.39 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1jkv h SER 74 CO 0.01 -0.13 -0.01 0.74 -0.53 0.00 0.00 176.83 176.91 1jkv h THR 75 N -0.04 0.93 -0.50 2.23 2.02 -0.99 -1.49 112.91 115.08 1jkv h THR 75 Ca 0.15 -0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.37 1jkv h THR 75 Cb 0.27 0.92 -0.05 0.00 -1.74 0.00 0.00 68.15 67.55 1jkv h THR 75 CO -0.33 0.00 0.24 -0.03 0.37 0.00 0.00 175.52 175.77 1jkv h MET 76 N 0.01 0.45 -0.45 6.66 -1.53 -0.81 -0.95 114.93 118.32 1jkv h MET 76 Ca 0.04 -0.03 0.02 0.00 -3.44 0.00 0.00 59.70 56.29 1jkv h MET 76 Cb 0.05 -0.10 -0.03 0.00 -0.55 0.00 0.00 31.60 30.97 1jkv h MET 76 CO -0.07 0.30 0.26 0.82 0.14 0.00 0.00 176.91 178.36 1jkv h ILE 77 N 0.47 1.04 -0.72 1.77 2.04 -0.91 -0.15 117.51 121.04 1jkv h ILE 77 Ca 0.22 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.91 1jkv h ILE 77 Cb 0.15 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 1jkv h ILE 77 CO -0.17 0.10 0.47 1.23 0.00 0.00 0.00 178.15 179.78 1jkv h GLY 78 N 0.52 1.02 0.99 5.37 0.00 -0.72 -1.09 103.07 109.16 1jkv h GLY 78 Ca 0.18 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 1jkv h GLY 78 CO -0.09 0.36 0.24 -0.97 0.00 0.00 0.00 176.54 176.08 1jkv h TYR 79 N 0.96 0.89 0.00 5.60 0.05 -0.93 -2.76 116.97 120.78 1jkv h TYR 79 Ca 0.27 -0.06 -0.02 0.00 0.05 0.00 0.00 58.73 58.97 1jkv h TYR 79 Cb -0.09 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 37.38 1jkv h TYR 79 CO -0.03 0.71 -0.08 -0.07 -1.05 0.00 0.00 178.16 177.64 1jkv h LEU 80 N 0.81 0.00 -0.31 3.88 3.38 -0.41 -2.47 115.31 120.19 1jkv h LEU 80 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1jkv h LEU 80 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1jkv h LEU 80 CO -0.02 0.08 -0.15 0.18 0.09 0.00 0.00 178.44 178.62 1jkv n LEU 81 N -3.41 0.63 -4.70 1.67 4.77 -0.47 -1.20 117.00 114.29 1jkv n LEU 81 Ca -0.01 -0.07 -0.44 0.00 -0.03 0.00 0.00 56.01 55.46 1jkv n LEU 81 Cb 0.23 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1jkv n LEU 81 CO 0.28 0.12 1.13 -0.62 -1.33 0.00 0.00 177.39 176.97 1jkv n GLU 82 N -0.87 2.33 -1.52 3.23 1.02 -0.93 -2.19 120.64 121.70 1jkv n GLU 82 Ca 0.14 0.83 -0.18 0.00 -0.02 0.00 0.00 57.16 57.92 1jkv n GLU 82 Cb 0.30 -2.55 -0.08 0.00 -0.02 0.00 0.00 31.44 29.09 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 2.37 -5.33 -4.77 1.62 8.00 -1.26 -4.81 116.55 112.37 1jkv n ASP 83 Ca 0.11 0.45 -0.39 0.00 0.71 0.00 0.00 54.79 55.67 1jkv n ASP 83 Cb 0.33 -4.42 -0.00 0.00 -0.02 0.00 0.00 41.12 37.01 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 -2.61 3.13 0.34 2.24 0.00 -0.93 -4.96 121.76 118.97 1jkv s ALA 84 Ca 0.00 1.14 -0.27 0.00 0.00 0.00 0.00 51.96 52.83 1jkv s ALA 84 Cb 0.00 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.57 1jkv s ALA 84 CO 0.00 -0.80 1.12 -1.25 0.00 0.00 0.00 175.76 174.83 1jkv s PRO 85 N -2.41 4.36 0.00 0.00 0.04 -1.26 -4.93 135.00 130.79 1jkv s PRO 85 Ca 0.60 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1jkv s PRO 85 Cb -0.35 -2.90 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1jkv s PRO 85 CO 0.44 -0.03 0.00 1.97 0.04 0.00 0.00 177.00 179.42 1jkv n PHE 86 N 0.59 0.00 -3.93 0.56 1.16 -1.26 -4.82 117.46 109.76 1jkv n PHE 86 Ca 0.02 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.48 1jkv n PHE 86 Cb 0.46 0.01 -0.00 0.00 -1.61 0.00 0.00 39.48 38.34 1jkv n PHE 86 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1jkv s GLY 87 N 0.00 0.88 0.47 4.97 0.00 -1.26 -5.04 107.32 107.33 1jkv s GLY 87 Ca 0.00 -1.10 0.19 0.00 0.00 0.00 0.00 44.72 43.81 1jkv s GLY 87 CO 0.00 -0.62 1.96 -2.55 0.00 0.00 0.00 173.10 171.89 1jkv h PRO 88 N 2.04 0.26 -0.02 2.90 0.11 -2.01 -1.56 132.00 133.72 1jkv h PRO 88 Ca -0.31 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.73 1jkv h PRO 88 Cb 1.25 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1jkv h PRO 88 CO 0.40 0.17 -0.26 0.93 -0.21 0.00 0.00 178.00 179.02 1jkv h GLU 89 N 0.26 0.03 -0.19 1.05 5.08 -1.99 -1.15 114.58 117.67 1jkv h GLU 89 Ca 0.31 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.47 1jkv h GLU 89 Cb 0.86 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1jkv h GLU 89 CO -0.07 0.29 -0.65 -0.44 -1.00 0.00 0.00 179.01 177.15 1jkv h ASP 90 N 0.03 0.80 0.56 1.42 3.32 -1.69 -2.41 116.42 118.44 1jkv h ASP 90 Ca 0.00 -0.47 -0.10 0.00 0.02 0.00 0.00 57.03 56.48 1jkv h ASP 90 Cb 0.48 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1jkv h ASP 90 CO 0.04 1.24 -0.48 -0.07 -1.72 0.00 0.00 179.24 178.25 1jkv h LEU 91 N 0.51 0.00 -0.67 1.55 3.38 -1.37 -1.52 115.31 117.19 1jkv h LEU 91 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1jkv h LEU 91 Cb 1.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 1jkv h LEU 91 CO 0.13 0.48 -0.10 0.11 0.09 0.00 0.00 178.44 179.14 1jkv h LYS 92 N 0.00 0.92 -0.30 1.13 1.57 -1.11 -1.74 116.57 117.05 1jkv h LYS 92 Ca -0.00 -0.32 -0.06 0.00 -1.87 0.00 0.00 60.65 58.39 1jkv h LYS 92 Cb 0.88 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1jkv h LYS 92 CO 0.06 0.98 -0.06 -0.09 -0.57 0.00 0.00 179.45 179.78 1jkv h ARG 93 N 0.83 0.56 -1.69 3.15 2.43 -1.17 -3.42 114.38 115.07 1jkv h ARG 93 Ca 0.13 -0.21 -0.22 0.00 -0.81 0.00 0.00 59.98 58.88 1jkv h ARG 93 Cb 0.63 -0.04 -0.28 0.00 -0.42 0.00 0.00 29.97 29.87 1jkv h ARG 93 CO 0.04 0.75 -0.56 0.34 -1.51 0.00 0.00 179.97 179.03 1jkv s ASP 94 N -6.14 0.38 0.66 -3.80 -1.08 -0.59 -5.02 116.67 101.08 1jkv s ASP 94 Ca -0.13 -0.72 0.37 0.00 -0.52 0.00 0.00 52.55 51.54 1jkv s ASP 94 Cb 0.08 1.06 2.02 0.00 -1.46 0.00 0.00 42.92 44.62 1jkv s ASP 94 CO 0.78 -0.31 2.15 -0.65 0.52 0.00 0.00 175.17 177.65 1jkv h PRO 95 N 7.77 0.00 0.00 4.34 0.11 -1.56 -1.78 132.00 140.88 1jkv h PRO 95 Ca -0.04 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 1jkv h PRO 95 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1jkv h PRO 95 CO 0.23 0.00 -0.10 0.66 -0.21 0.00 0.00 178.00 178.58 1jkv h SER 96 N 0.00 0.00 0.23 -2.05 4.64 -1.94 -2.47 113.55 111.96 1jkv h SER 96 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1jkv h SER 96 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1jkv h SER 96 CO -0.00 0.10 0.00 0.18 -0.87 0.00 0.00 176.83 176.24 1jkv n LEU 97 N -3.68 0.02 -0.28 5.97 4.77 -0.67 -2.88 117.00 120.26 1jkv n LEU 97 Ca -0.02 0.51 0.08 0.00 -0.03 0.00 0.00 56.01 56.55 1jkv n LEU 97 Cb 0.21 -0.51 0.32 0.00 -2.33 0.00 0.00 43.42 41.12 1jkv n LEU 97 CO 0.30 -0.40 1.23 0.00 -1.33 0.00 0.00 177.39 177.18 1jkv h ALA 98 N 2.22 1.69 -0.36 -1.18 0.00 -1.67 -0.80 119.26 119.17 1jkv h ALA 98 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1jkv h ALA 98 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1jkv h ALA 98 CO 0.00 0.11 -0.03 1.15 0.00 0.00 0.00 179.25 180.48 1jkv h THR 99 N 0.83 1.27 -0.03 0.00 2.02 -1.80 -1.26 112.91 113.93 1jkv h THR 99 Ca 0.42 -1.05 0.02 0.00 0.77 0.00 0.00 66.41 66.56 1jkv h THR 99 Cb 0.48 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 1jkv h THR 99 CO -0.18 0.35 -0.06 0.74 0.37 0.00 0.00 175.52 176.74 1jkv h THR 100 N 0.46 0.84 -0.96 3.16 2.02 -1.65 -2.74 112.91 114.05 1jkv h THR 100 Ca 0.10 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.31 1jkv h THR 100 Cb 0.51 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 67.71 1jkv h THR 100 CO 0.03 0.00 0.63 0.24 0.37 0.00 0.00 175.52 176.78 1jkv h MET 101 N -0.09 1.18 -0.35 6.66 2.86 -0.99 -2.09 114.93 122.11 1jkv h MET 101 Ca 0.03 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1jkv h MET 101 Cb 0.14 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1jkv h MET 101 CO -0.08 0.78 0.22 0.00 1.06 0.00 0.00 176.91 178.88 1jkv h ALA 102 N 1.44 1.72 -0.00 6.32 0.00 -0.95 -2.45 119.26 125.35 1jkv h ALA 102 Ca 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1jkv h ALA 102 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1jkv h ALA 102 CO -0.12 0.25 -0.36 0.41 0.00 0.00 0.00 179.25 179.43 1jkv n GLY 103 N -1.44 -1.30 3.82 0.00 0.00 -0.82 -4.95 105.19 100.50 1jkv n GLY 103 Ca 0.02 -0.29 -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 -2.98 2.94 -0.34 1.61 1.00 -0.92 -4.89 119.30 115.71 1jkv s MET 104 Ca 0.12 0.97 -0.29 0.00 0.00 0.00 0.00 55.69 56.49 1jkv s MET 104 Cb 0.18 -1.99 0.01 0.00 0.00 0.00 0.00 34.83 33.03 1jkv s MET 104 CO 0.65 -1.10 1.20 0.34 0.00 0.00 0.00 175.02 176.10 1jkv s ASP 105 N -3.75 6.75 0.58 3.03 -1.08 -1.26 -4.93 116.67 116.02 1jkv s ASP 105 Ca 0.58 1.02 0.28 0.00 -0.52 0.00 0.00 52.55 53.91 1jkv s ASP 105 Cb -0.14 -2.54 1.56 0.00 -1.46 0.00 0.00 42.92 40.34 1jkv s ASP 105 CO 0.54 -1.05 2.05 -0.65 0.52 0.00 0.00 175.17 176.58 1jkv h PRO 106 N 8.88 0.00 0.00 4.34 0.11 -1.95 -1.60 132.00 141.79 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 1.05 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 -0.67 1.05 5.08 -1.97 -2.78 114.58 115.29 1jkv h GLU 107 Ca 0.13 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.59 1jkv h GLU 107 Cb 0.69 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.86 1jkv h GLU 107 CO -0.00 0.00 0.30 0.45 -1.00 0.00 0.00 179.01 178.76 1jkv h HIS 108 N 0.00 0.53 0.00 4.33 3.86 -1.59 -1.33 115.15 120.95 1jkv h HIS 108 Ca 0.00 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1jkv h HIS 108 Cb 0.84 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 29.18 1jkv h HIS 108 CO 0.00 0.16 -0.06 0.66 0.86 0.00 0.00 177.93 179.55 1jkv h SER 109 N 0.51 0.00 -0.46 2.45 4.64 -1.74 0.32 113.55 119.28 1jkv h SER 109 Ca 0.34 -0.37 -0.05 0.00 -0.47 0.00 0.00 61.79 61.23 1jkv h SER 109 Cb 0.40 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 1jkv h SER 109 CO -0.30 0.72 0.09 0.25 -0.87 0.00 0.00 176.83 176.72 1jkv h LEU 110 N -1.00 0.71 0.06 5.97 5.85 -1.46 -1.99 115.31 123.45 1jkv h LEU 110 Ca -0.01 -0.25 -0.31 0.00 0.84 0.00 0.00 57.88 58.15 1jkv h LEU 110 Cb 0.42 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1jkv h LEU 110 CO -0.01 0.78 -1.70 0.52 -0.34 0.00 0.00 178.44 177.69 1jkv n VAL 111 N -4.47 1.66 0.77 1.05 0.31 -0.54 -4.64 118.33 112.47 1jkv n VAL 111 Ca 0.00 -0.37 0.09 0.00 -0.01 0.00 0.00 64.34 64.06 1jkv n VAL 111 Cb 0.24 -1.87 0.03 0.00 -0.91 0.00 0.00 33.84 31.33 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 -3.92 0.00 -3.18 3.52 8.25 -0.98 -5.00 115.22 113.91 1jkv n HIS 112 Ca -0.33 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 56.98 1jkv n HIS 112 Cb 0.88 0.00 0.05 0.00 1.12 0.00 0.00 29.99 32.05 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 1.14 -0.06 3.31 -1.41 0.00 -0.75 -3.41 105.19 104.01 1jkv n GLY 113 Ca 0.09 -0.06 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.43 -5.11 -4.15 0.99 4.77 0.11 -4.96 117.00 105.23 1jkv n LEU 114 Ca -0.03 -0.68 -0.10 0.00 -0.03 0.00 0.00 56.01 55.17 1jkv n LEU 114 Cb 0.55 -3.18 -0.10 0.00 -2.33 0.00 0.00 43.42 38.36 1jkv n LEU 114 CO 0.43 0.19 -0.33 0.20 -1.33 0.00 0.00 177.39 176.56 1jkv s ASN 115 N -3.71 0.57 0.69 -1.43 0.01 -1.21 -4.83 114.94 105.03 1jkv s ASN 115 Ca 0.31 -1.13 -0.17 0.00 -0.71 0.00 0.00 52.86 51.16 1jkv s ASN 115 Cb -0.04 0.23 0.01 0.00 0.41 0.00 0.00 41.25 41.85 1jkv s ASN 115 CO 0.74 -0.65 1.28 0.00 -1.51 0.00 0.00 177.10 176.96 1jkv s ALA 116 N -3.92 2.25 0.51 0.60 0.00 -1.26 -4.78 121.76 115.16 1jkv s ALA 116 Ca 0.18 1.14 0.07 0.00 0.00 0.00 0.00 51.96 53.36 1jkv s ALA 116 Cb 0.07 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.68 1jkv s ALA 116 CO -0.02 -1.77 0.51 -1.54 0.00 0.00 0.00 175.76 172.94 1jkv s SER 117 N -1.56 4.94 -0.45 0.00 1.04 -1.26 -4.98 113.70 111.44 1jkv s SER 117 Ca 0.81 -0.94 0.04 0.00 0.48 0.00 0.00 55.95 56.33 1jkv s SER 117 Cb -0.36 0.03 0.58 0.00 0.10 0.00 0.00 66.02 66.37 1jkv s SER 117 CO 0.42 -1.01 1.81 -0.11 0.98 0.00 0.00 173.24 175.33 1jkv n LEU 118 N -1.83 6.30 -4.81 2.42 7.94 -1.26 -4.74 117.00 121.01 1jkv n LEU 118 Ca 0.05 -3.83 -0.23 0.00 -1.11 0.00 0.00 56.01 50.89 1jkv n LEU 118 Cb 0.62 -0.80 -0.05 0.00 0.53 0.00 0.00 43.42 43.72 1jkv n LEU 118 CO 0.40 1.23 -0.07 0.20 -1.11 0.00 0.00 177.39 178.04 1jkv s ASN 119 N -1.77 4.73 0.94 1.96 0.01 -1.26 -1.84 114.94 117.71 1jkv s ASN 119 Ca 0.56 -0.93 -0.11 0.00 -0.71 0.00 0.00 52.86 51.66 1jkv s ASN 119 Cb 0.47 -0.47 0.17 0.00 0.41 0.00 0.00 41.25 41.83 1jkv s ASN 119 CO 0.06 -0.63 1.05 -0.46 -1.51 0.00 0.00 177.10 175.61 1jkv n ASN 120 N -1.41 0.28 0.29 -1.22 0.23 -0.40 -3.62 115.26 109.40 1jkv n ASN 120 Ca 0.01 -1.50 0.18 0.00 -0.53 0.00 0.00 54.58 52.74 1jkv n ASN 120 Cb 0.63 -0.78 0.98 0.00 -2.08 0.00 0.00 39.78 38.52 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 -0.57 -0.53 0.11 -1.78 -1.85 132.00 127.38 1jkv h PRO 121 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1jkv h PRO 121 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1jkv h PRO 121 CO 0.26 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.14 1jkv n ASN 122 N -3.49 3.20 0.00 -2.05 3.02 -1.26 -4.89 115.26 109.80 1jkv n ASN 122 Ca -0.01 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.55 1jkv n ASN 122 Cb 0.19 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 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 1.46 0.66 3.69 7.41 0.00 -0.70 -5.01 105.19 112.71 1jkv n GLY 123 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.58 3.37 0.31 4.61 0.00 -1.26 -4.77 121.76 121.44 1jkv s ALA 124 Ca 0.00 0.51 -0.29 0.00 0.00 0.00 0.00 51.96 52.18 1jkv s ALA 124 Cb 0.00 -3.43 -0.11 0.00 0.00 0.00 0.00 23.12 19.58 1jkv s ALA 124 CO 0.00 -0.54 1.45 0.00 0.00 0.00 0.00 175.76 176.66 1jkv s ALA 125 N 1.75 3.60 0.34 0.00 0.00 -1.26 -1.28 121.76 124.92 1jkv s ALA 125 Ca 0.52 1.42 -0.28 0.00 0.00 0.00 0.00 51.96 53.62 1jkv s ALA 125 Cb -0.21 -3.57 -0.12 0.00 0.00 0.00 0.00 23.12 19.22 1jkv s ALA 125 CO 0.22 -0.85 1.32 1.87 0.00 0.00 0.00 175.76 178.32 1jkv n TRP 126 N 1.37 2.38 -3.96 0.00 -0.00 -0.77 -4.89 117.44 111.58 1jkv n TRP 126 Ca 0.04 0.54 -0.08 0.00 -0.00 0.00 0.00 57.50 57.99 1jkv n TRP 126 Cb 0.40 -2.43 -0.09 0.00 -0.00 0.00 0.00 31.31 29.19 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 -0.27 0.26 0.18 5.87 2.20 -1.26 -5.04 114.94 116.87 1jkv s ASN 127 Ca 0.55 -0.71 0.19 0.00 -0.94 0.00 0.00 52.86 51.95 1jkv s ASN 127 Cb -0.56 0.25 0.82 0.00 -2.00 0.00 0.00 41.25 39.77 1jkv s ASN 127 CO 0.62 -0.60 1.57 0.00 -2.94 0.00 0.00 177.10 175.75 1jkv n ALA 128 N 0.33 1.50 0.27 3.54 0.00 -1.26 -1.79 120.51 123.10 1jkv n ALA 128 Ca -0.16 0.06 0.17 0.00 0.00 0.00 0.00 53.44 53.50 1jkv n ALA 128 Cb 0.60 -1.30 0.86 0.00 0.00 0.00 0.00 19.45 19.61 1jkv n ALA 128 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jkv h GLY 129 N 1.75 0.00 2.00 0.00 0.00 -2.00 -1.20 103.07 103.62 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 -2.69 0.29 -3.74 5.60 4.01 -0.74 -4.86 117.16 115.03 1jkv n TYR 130 Ca -0.02 0.10 -0.37 0.00 -0.16 0.00 0.00 57.90 57.45 1jkv n TYR 130 Cb 0.10 -0.66 -0.06 0.00 -0.31 0.00 0.00 39.34 38.40 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 -3.07 5.35 -0.12 -0.72 1.01 -0.45 -5.00 120.40 117.40 1jkv s VAL 131 Ca 0.10 0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.52 1jkv s VAL 131 Cb 0.13 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 33.01 1jkv s VAL 131 CO 0.43 0.58 -0.21 -0.89 0.00 0.00 0.00 175.10 175.01 1jkv s THR 132 N -0.85 1.96 -0.27 3.92 2.01 -1.26 -5.06 115.64 116.08 1jkv s THR 132 Ca 0.17 -0.93 -0.01 0.00 0.31 0.00 0.00 61.69 61.23 1jkv s THR 132 Cb -0.13 -1.72 0.13 0.00 0.01 0.00 0.00 72.50 70.78 1jkv s THR 132 CO 0.06 0.53 0.30 -0.94 -0.69 0.00 0.00 174.62 173.89 1jkv s SER 133 N 0.70 1.39 -0.02 3.53 1.04 -1.26 -4.78 113.70 114.30 1jkv s SER 133 Ca -0.11 -0.54 0.21 0.00 0.48 0.00 0.00 55.95 55.99 1jkv s SER 133 Cb -0.16 0.59 -0.30 0.00 0.10 0.00 0.00 66.02 66.25 1jkv s SER 133 CO 0.01 -0.37 0.57 -1.54 0.98 0.00 0.00 173.24 172.89 1jkv n SER 134 N 5.32 0.36 0.00 7.02 3.41 -1.26 -4.98 113.62 123.49 1jkv n SER 134 Ca -0.03 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 1jkv n SER 134 Cb 0.47 1.72 0.00 0.00 -0.26 0.00 0.00 64.21 66.15 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 1.35 3.20 3.30 5.00 0.00 -1.26 -5.04 105.19 111.73 1jkv n GLY 135 Ca -0.02 0.00 -0.36 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 -1.09 4.68 0.21 1.61 3.84 -1.26 -5.00 114.94 117.93 1jkv s ASN 136 Ca 0.00 -0.66 0.26 0.00 0.21 0.00 0.00 52.86 52.67 1jkv s ASN 136 Cb 0.00 -1.78 0.80 0.00 -0.55 0.00 0.00 41.25 39.72 1jkv s ASN 136 CO 0.00 -0.12 1.77 0.18 -2.79 0.00 0.00 177.10 176.14 1jkv n LEU 137 N 4.79 0.83 -0.04 3.21 4.77 -1.26 -1.39 117.00 127.92 1jkv n LEU 137 Ca -0.16 0.58 -0.12 0.00 -0.03 0.00 0.00 56.01 56.28 1jkv n LEU 137 Cb 0.48 -0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 1jkv n LEU 137 CO 0.29 -0.18 0.76 0.58 -1.33 0.00 0.00 177.39 177.51 1jkv h VAL 138 N 0.00 1.24 -0.22 4.08 2.07 -1.94 0.32 116.25 121.80 1jkv h VAL 138 Ca 0.00 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 1jkv h VAL 138 Cb 0.74 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1jkv h VAL 138 CO 0.00 0.22 0.07 0.00 0.02 0.00 0.00 177.57 177.88 1jkv h ALA 139 N 0.77 0.29 -0.01 1.67 0.00 -1.98 -3.03 119.26 116.98 1jkv h ALA 139 Ca 0.04 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1jkv h ALA 139 Cb 0.33 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1jkv h ALA 139 CO 0.00 -0.08 -0.79 -0.44 0.00 0.00 0.00 179.25 177.94 1jkv h ASP 140 N 0.18 0.12 -0.55 0.00 5.19 -1.19 -1.41 116.42 118.77 1jkv h ASP 140 Ca 0.07 -0.09 -0.04 0.00 -0.62 0.00 0.00 57.03 56.35 1jkv h ASP 140 Cb 0.24 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 39.69 1jkv h ASP 140 CO -0.00 0.86 0.19 0.24 -3.12 0.00 0.00 179.24 177.41 1jkv h MET 141 N 0.06 0.88 -0.44 3.56 2.86 -1.00 0.23 114.93 121.08 1jkv h MET 141 Ca -0.02 -0.16 0.03 0.00 -2.06 0.00 0.00 59.70 57.49 1jkv h MET 141 Cb 1.39 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.87 1jkv h MET 141 CO 0.11 0.75 0.25 0.00 1.06 0.00 0.00 176.91 179.08 1jkv h ARG 142 N 0.86 0.48 -0.80 1.72 3.08 -1.34 -1.42 114.38 116.96 1jkv h ARG 142 Ca 0.20 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.31 1jkv h ARG 142 Cb 0.23 -0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.10 1jkv h ARG 142 CO -0.01 0.32 0.45 0.35 -1.07 0.00 0.00 179.97 180.01 1jkv h PHE 143 N 0.49 0.83 -0.57 3.04 3.57 -0.66 -1.77 116.94 121.86 1jkv h PHE 143 Ca 0.18 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.61 1jkv h PHE 143 Cb 0.05 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 1jkv h PHE 143 CO -0.08 0.34 -0.05 -0.91 -2.23 0.00 0.00 178.31 175.39 1jkv h ASN 144 N 0.77 1.02 -0.45 0.41 2.35 -0.49 0.15 115.58 119.35 1jkv h ASN 144 Ca 0.38 -0.31 0.03 0.00 -0.55 0.00 0.00 56.30 55.86 1jkv h ASN 144 Cb 0.34 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.39 1jkv h ASN 144 CO -0.24 1.10 0.23 0.58 -1.65 0.00 0.00 177.43 177.45 1jkv h VAL 145 N 0.94 0.99 -0.41 2.81 2.07 -0.83 -1.80 116.25 120.01 1jkv h VAL 145 Ca 0.16 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1jkv h VAL 145 Cb 0.60 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1jkv h VAL 145 CO 0.04 0.09 0.25 0.58 0.02 0.00 0.00 177.57 178.54 1jkv h VAL 146 N 0.47 1.06 -0.48 2.57 2.07 -0.55 -0.91 116.25 120.48 1jkv h VAL 146 Ca 0.19 -0.17 0.07 0.00 0.82 0.00 0.00 66.70 67.61 1jkv h VAL 146 Cb 0.08 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.29 1jkv h VAL 146 CO -0.12 0.09 0.13 -0.09 0.02 0.00 0.00 177.57 177.60 1jkv h ARG 147 N 0.51 0.27 0.00 1.57 1.12 -0.45 0.71 114.38 118.11 1jkv h ARG 147 Ca 0.16 -0.02 -0.10 0.00 -1.11 0.00 0.00 59.98 58.92 1jkv h ARG 147 Cb -0.01 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 29.88 1jkv h ARG 147 CO -0.07 0.18 -0.46 0.93 -3.11 0.00 0.00 179.97 177.45 1jkv h GLU 148 N 0.28 0.00 0.03 0.20 4.39 -1.14 -1.31 114.58 117.04 1jkv h GLU 148 Ca 0.23 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.93 1jkv h GLU 148 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1jkv h GLU 148 CO -0.28 0.46 -0.02 0.77 -1.16 0.00 0.00 179.01 178.79 1jkv h SER 149 N 0.00 -0.04 -0.77 1.42 0.02 -0.34 -1.12 113.55 112.73 1jkv h SER 149 Ca -0.00 -0.56 -0.03 0.00 -0.84 0.00 0.00 61.79 60.36 1jkv h SER 149 Cb 0.95 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.46 1jkv h SER 149 CO 0.06 0.55 0.35 -0.33 -1.14 0.00 0.00 176.83 176.32 1jkv h GLU 150 N -0.65 1.12 -0.35 3.45 4.39 -0.89 -1.48 114.58 120.16 1jkv h GLU 150 Ca -0.00 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.49 1jkv h GLU 150 Cb 0.59 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 1jkv h GLU 150 CO 0.01 0.88 0.12 0.00 -1.16 0.00 0.00 179.01 178.86 1jkv h ALA 151 N 1.18 0.46 -0.07 3.43 0.00 -1.28 -2.25 119.26 120.72 1jkv h ALA 151 Ca 0.26 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1jkv h ALA 151 Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1jkv h ALA 151 CO -0.03 0.09 -0.40 -0.09 0.00 0.00 0.00 179.25 178.81 1jkv h ARG 152 N 0.42 0.16 -0.34 0.00 2.43 -1.06 -0.11 114.38 115.87 1jkv h ARG 152 Ca 0.12 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1jkv h ARG 152 Cb 0.23 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1jkv h ARG 152 CO -0.01 0.54 0.17 1.25 -1.51 0.00 0.00 179.97 180.42 1jkv h LEU 153 N 0.14 0.26 -0.48 3.80 5.85 -1.14 -0.82 115.31 122.92 1jkv h LEU 153 Ca 0.01 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1jkv h LEU 153 Cb 0.77 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1jkv h LEU 153 CO 0.06 0.19 0.07 1.56 -0.34 0.00 0.00 178.44 179.99 1jkv h GLN 154 N 0.36 0.80 -0.70 1.25 4.20 -0.74 -1.37 115.11 118.91 1jkv h GLN 154 Ca 0.14 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 1jkv h GLN 154 Cb 0.04 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 1jkv h GLN 154 CO -0.09 0.81 0.30 0.28 -0.67 0.00 0.00 178.83 179.45 1jkv h VAL 155 N 0.67 1.24 -0.56 -0.54 2.07 -0.94 0.38 116.25 118.56 1jkv h VAL 155 Ca 0.15 -0.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 1jkv h VAL 155 Cb 0.40 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1jkv h VAL 155 CO 0.01 0.29 0.18 0.28 0.02 0.00 0.00 177.57 178.35 1jkv h SER 156 N 1.01 0.82 -0.35 0.57 0.02 -0.90 -1.62 113.55 113.10 1jkv h SER 156 Ca 0.24 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1jkv h SER 156 Cb 0.17 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1jkv h SER 156 CO -0.02 0.81 0.18 0.03 -1.14 0.00 0.00 176.83 176.68 1jkv h ARG 157 N 0.79 0.50 -0.79 3.45 3.08 -0.68 -2.81 114.38 117.92 1jkv h ARG 157 Ca 0.18 -0.07 0.13 0.00 0.07 0.00 0.00 59.98 60.29 1jkv h ARG 157 Cb 0.28 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.18 1jkv h ARG 157 CO -0.01 0.43 0.52 -0.07 -1.07 0.00 0.00 179.97 179.77 1jkv h LEU 158 N 0.43 0.54 -1.55 3.04 3.38 -0.58 -0.52 115.31 120.06 1jkv h LEU 158 Ca 0.12 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.19 1jkv h LEU 158 Cb 0.09 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1jkv h LEU 158 CO -0.02 0.30 0.41 0.22 0.09 0.00 0.00 178.44 179.44 1jkv h TYR 159 N 0.59 0.54 -0.47 1.13 3.20 -1.03 -0.42 116.97 120.52 1jkv h TYR 159 Ca 0.38 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.27 1jkv h TYR 159 Cb 0.66 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.75 1jkv h TYR 159 CO -0.00 0.28 0.00 0.43 -1.64 0.00 0.00 178.16 177.22 1jkv n SER 160 N -4.48 2.53 -0.58 -2.11 7.64 -0.22 -3.94 113.62 112.46 1jkv n SER 160 Ca 0.09 -1.99 0.06 0.00 1.01 0.00 0.00 58.87 58.04 1jkv n SER 160 Cb 0.30 -0.31 0.10 0.00 -1.01 0.00 0.00 64.21 63.29 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 0.88 1.61 -3.82 1.43 2.81 -0.17 -5.00 117.12 114.87 1jkv n MET 161 Ca 0.16 -1.60 -0.10 0.00 -1.81 0.00 0.00 57.70 54.35 1jkv n MET 161 Cb 0.40 -1.26 -0.07 0.00 -0.71 0.00 0.00 33.22 31.57 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 -1.02 0.11 -0.70 2.03 -1.32 -1.21 -4.97 115.64 108.57 1jkv s THR 162 Ca 0.19 -0.93 0.07 0.00 -1.21 0.00 0.00 61.69 59.81 1jkv s THR 162 Cb 0.12 -1.09 0.18 0.00 -1.51 0.00 0.00 72.50 70.20 1jkv s THR 162 CO 0.16 -0.51 1.09 -0.62 -2.21 0.00 0.00 174.62 172.53 1jkv n GLU 163 N 0.34 2.35 -2.36 7.08 1.02 -1.26 -4.93 120.64 122.87 1jkv n GLU 163 Ca -0.17 -1.70 -0.43 0.00 -0.02 0.00 0.00 57.16 54.84 1jkv n GLU 163 Cb 0.61 -1.18 -0.02 0.00 -0.02 0.00 0.00 31.44 30.83 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 -0.93 6.81 0.50 1.62 -1.08 -1.26 -4.89 116.67 117.45 1jkv s ASP 164 Ca 0.15 1.61 0.29 0.00 -0.52 0.00 0.00 52.55 54.08 1jkv s ASP 164 Cb 0.08 -2.54 1.04 0.00 -1.46 0.00 0.00 42.92 40.04 1jkv s ASP 164 CO 0.11 -0.89 1.86 -0.33 0.52 0.00 0.00 175.17 176.44 1jkv h GLU 165 N 8.78 0.00 -0.10 4.34 4.39 -1.98 -0.42 114.58 129.59 1jkv h GLU 165 Ca -0.28 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.30 1jkv h GLU 165 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1jkv h GLU 165 CO 0.99 0.05 -0.41 0.78 -1.16 0.00 0.00 179.01 179.26 1jkv h GLY 166 N 2.51 0.51 0.90 -3.84 0.00 -1.90 -0.83 103.07 100.41 1jkv h GLY 166 Ca -0.00 -0.69 0.01 0.00 0.00 0.00 0.00 47.33 46.66 1jkv h GLY 166 CO 0.01 0.61 0.10 -2.08 0.00 0.00 0.00 176.54 175.18 1jkv h VAL 167 N 0.04 0.99 -0.40 4.60 2.07 -1.68 -2.93 116.25 118.94 1jkv h VAL 167 Ca -0.02 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1jkv h VAL 167 Cb 1.04 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1jkv h VAL 167 CO 0.09 0.04 0.15 0.03 0.02 0.00 0.00 177.57 177.89 1jkv h ARG 168 N 0.22 0.56 -0.44 1.57 3.08 -1.06 -1.73 114.38 116.58 1jkv h ARG 168 Ca 0.09 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1jkv h ARG 168 Cb 0.03 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1jkv h ARG 168 CO -0.06 0.48 0.28 0.22 -1.07 0.00 0.00 179.97 179.82 1jkv h ASP 169 N 0.56 0.52 -0.29 7.04 3.58 -0.98 0.49 116.42 127.34 1jkv h ASP 169 Ca 0.14 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1jkv h ASP 169 Cb 0.14 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1jkv h ASP 169 CO -0.01 0.39 0.19 -0.03 -2.88 0.00 0.00 179.24 176.90 1jkv h MET 170 N 0.59 0.38 -0.95 0.28 4.05 -1.27 -2.76 114.93 115.25 1jkv h MET 170 Ca 0.16 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.58 1jkv h MET 170 Cb -0.04 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 30.62 1jkv h MET 170 CO -0.03 0.25 0.63 -0.07 0.23 0.00 0.00 176.91 177.92 1jkv h LEU 171 N 0.39 1.06 -1.17 3.39 3.38 -0.82 -1.65 115.31 119.90 1jkv h LEU 171 Ca 0.11 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1jkv h LEU 171 Cb -0.04 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 1jkv h LEU 171 CO -0.03 0.74 0.26 0.11 0.09 0.00 0.00 178.44 179.62 1jkv h LYS 172 N 1.24 0.84 -0.16 1.13 1.57 -0.74 0.50 116.57 120.95 1jkv h LYS 172 Ca 0.37 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1jkv h LYS 172 Cb -0.05 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1jkv h LYS 172 CO -0.10 0.67 0.01 0.35 -0.57 0.00 0.00 179.45 179.81 1jkv h PHE 173 N 0.84 0.31 -0.70 -1.35 3.57 -1.13 -3.00 116.94 115.47 1jkv h PHE 173 Ca 0.20 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 1jkv h PHE 173 Cb 0.12 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1jkv h PHE 173 CO 0.01 0.48 0.20 -0.07 -2.23 0.00 0.00 178.31 176.70 1jkv h LEU 174 N 0.04 1.03 -0.75 0.59 3.38 -0.97 -1.32 115.31 117.31 1jkv h LEU 174 Ca 0.05 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.89 1jkv h LEU 174 Cb 0.36 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1jkv h LEU 174 CO 0.01 0.97 0.43 -0.07 0.09 0.00 0.00 178.44 179.86 1jkv h LEU 175 N 1.05 0.62 -0.42 1.67 3.38 -0.95 -0.50 115.31 120.16 1jkv h LEU 175 Ca 0.22 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 1jkv h LEU 175 Cb 0.32 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1jkv h LEU 175 CO -0.00 0.38 -0.07 0.00 0.09 0.00 0.00 178.44 178.84 1jkv h ALA 176 N 1.40 0.57 -0.63 1.53 0.00 -1.24 -1.20 119.26 119.69 1jkv h ALA 176 Ca 0.35 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1jkv h ALA 176 Cb 0.26 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1jkv h ALA 176 CO -0.21 0.42 0.24 0.00 0.00 0.00 0.00 179.25 179.70 1jkv h ARG 177 N 0.61 0.93 -0.11 0.00 2.47 -0.88 -1.95 114.38 115.43 1jkv h ARG 177 Ca 0.11 -0.16 -0.10 0.00 -1.26 0.00 0.00 59.98 58.57 1jkv h ARG 177 Cb 0.59 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.74 1jkv h ARG 177 CO 0.04 0.77 -0.39 0.93 0.56 0.00 0.00 179.97 181.88 1jkv h GLU 178 N 0.91 0.24 -0.07 0.04 5.08 -0.92 0.54 114.58 120.40 1jkv h GLU 178 Ca 0.21 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1jkv h GLU 178 Cb 0.20 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1jkv h GLU 178 CO -0.02 0.60 0.05 1.15 -1.00 0.00 0.00 179.01 179.79 1jkv h THR 179 N 0.21 1.03 -0.43 1.13 2.02 -0.82 -0.16 112.91 115.88 1jkv h THR 179 Ca 0.02 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.16 1jkv h THR 179 Cb 0.78 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 1jkv h THR 179 CO 0.06 0.03 0.24 -0.61 0.37 0.00 0.00 175.52 175.60 1jkv h GLN 180 N 0.09 0.47 -0.46 6.66 5.75 -0.98 -1.02 115.11 125.60 1jkv h GLN 180 Ca 0.03 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.40 1jkv h GLN 180 Cb 0.00 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 1jkv h GLN 180 CO -0.01 0.31 -0.11 0.45 -2.65 0.00 0.00 178.83 176.83 1jkv h HIS 181 N 0.48 1.00 -0.30 3.99 3.86 -0.79 0.41 115.15 123.80 1jkv h HIS 181 Ca 0.17 -0.21 0.05 0.00 -1.16 0.00 0.00 60.37 59.22 1jkv h HIS 181 Cb 0.04 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 28.22 1jkv h HIS 181 CO -0.08 0.98 -0.01 1.96 0.86 0.00 0.00 177.93 181.64 1jkv h GLN 182 N 0.73 0.08 -0.52 2.45 4.20 -0.78 -1.62 115.11 119.65 1jkv h GLN 182 Ca 0.12 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.76 1jkv h GLN 182 Cb 0.65 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1jkv h GLN 182 CO 0.05 0.05 0.07 -0.07 -0.67 0.00 0.00 178.83 178.25 1jkv h LEU 183 N 0.08 0.84 -0.57 1.46 3.38 -0.79 -0.85 115.31 118.86 1jkv h LEU 183 Ca 0.14 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 1jkv h LEU 183 Cb 0.19 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1jkv h LEU 183 CO -0.24 0.90 -0.15 0.06 0.09 0.00 0.00 178.44 179.09 1jkv h GLN 184 N 0.75 0.99 -0.11 1.13 3.07 -0.80 -1.32 115.11 118.82 1jkv h GLN 184 Ca 0.16 -0.38 -0.13 0.00 0.09 0.00 0.00 58.65 58.38 1jkv h GLN 184 Cb 0.43 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 27.92 1jkv h GLN 184 CO 0.01 1.06 -0.51 0.74 0.09 0.00 0.00 178.83 180.23 1jkv h PHE 185 N 0.87 0.36 -0.67 0.06 0.04 -1.23 -1.61 116.94 114.77 1jkv h PHE 185 Ca 0.13 -0.12 -0.07 0.00 2.80 0.00 0.00 57.97 60.71 1jkv h PHE 185 Cb 0.71 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.76 1jkv h PHE 185 CO 0.05 0.74 0.13 0.52 -0.60 0.00 0.00 178.31 179.15 1jkv h MET 186 N 0.23 1.08 -0.32 1.51 2.86 -0.92 -0.34 114.93 119.02 1jkv h MET 186 Ca 0.01 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 1jkv h MET 186 Cb 0.97 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 1jkv h MET 186 CO 0.08 0.98 0.13 -0.22 1.06 0.00 0.00 176.91 178.94 1jkv h LYS 187 N 1.02 0.48 -0.44 1.72 1.63 -0.98 0.47 116.57 120.46 1jkv h LYS 187 Ca 0.21 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1jkv h LYS 187 Cb 0.41 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 1jkv h LYS 187 CO 0.01 0.47 0.28 0.00 -3.45 0.00 0.00 179.45 176.76 1jkv h ALA 188 N 0.98 0.56 -0.26 5.00 0.00 -1.15 -1.70 119.26 122.69 1jkv h ALA 188 Ca 0.11 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1jkv h ALA 188 Cb 0.17 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1jkv h ALA 188 CO -0.01 0.03 -0.09 0.37 0.00 0.00 0.00 179.25 179.56 1jkv h GLN 189 N 0.59 -0.03 -0.48 0.00 4.15 -0.81 0.17 115.11 118.70 1jkv h GLN 189 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.59 1jkv h GLN 189 Cb -0.03 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 1jkv h GLN 189 CO -0.03 -0.02 0.31 1.49 -1.93 0.00 0.00 178.83 178.65 1jkv h GLU 190 N -0.04 0.63 -0.54 1.69 4.81 -0.55 0.74 114.58 121.32 1jkv h GLU 190 Ca 0.13 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1jkv h GLU 190 Cb 0.24 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1jkv h GLU 190 CO -0.29 0.43 0.23 0.93 -0.73 0.00 0.00 179.01 179.57 1jkv h GLU 191 N 0.65 0.80 -0.35 1.92 5.08 -1.05 -1.61 114.58 120.01 1jkv h GLU 191 Ca 0.17 -0.14 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 1jkv h GLU 191 Cb -0.06 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1jkv h GLU 191 CO -0.04 0.69 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.32 1jkv h LEU 192 N 0.73 0.76 -0.92 1.33 3.38 -0.66 -2.06 115.31 117.88 1jkv h LEU 192 Ca 0.18 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1jkv h LEU 192 Cb 0.18 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1jkv h LEU 192 CO -0.02 0.99 0.17 -0.33 0.09 0.00 0.00 178.44 179.34 1jkv h GLU 193 N 0.63 0.96 -0.73 1.13 5.08 -0.69 -0.36 114.58 120.60 1jkv h GLU 193 Ca 0.08 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1jkv h GLU 193 Cb 0.79 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1jkv h GLU 193 CO 0.06 0.85 0.28 1.49 -1.00 0.00 0.00 179.01 180.70 1jkv h GLU 194 N 0.93 1.08 0.01 2.33 4.81 -1.02 0.55 114.58 123.27 1jkv h GLU 194 Ca 0.20 -0.19 -0.21 0.00 -0.13 0.00 0.00 59.36 59.03 1jkv h GLU 194 Cb 0.31 -0.18 0.02 0.00 0.63 0.00 0.00 28.75 29.52 1jkv h GLU 194 CO -0.00 0.88 -0.85 -0.22 -0.73 0.00 0.00 179.01 178.09 1jkv h LYS 195 N 1.06 0.55 0.00 1.92 3.64 -1.03 -3.40 116.57 119.31 1jkv h LYS 195 Ca 0.24 -0.61 -0.05 0.00 -1.27 0.00 0.00 60.65 58.96 1jkv h LYS 195 Cb 0.21 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1jkv h LYS 195 CO -0.02 1.23 -1.59 0.66 -2.27 0.00 0.00 179.45 177.46 1jkv n TYR 196 N -4.03 0.00 0.00 1.91 4.01 -0.18 -5.11 117.16 113.76 1jkv n TYR 196 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1jkv n TYR 196 Cb 0.79 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 39.48 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 1.97 3.72 0.20 2.72 0.00 0.18 -3.99 105.19 110.00 1jkv n GLY 197 Ca -0.06 -1.72 0.09 0.00 0.00 0.00 0.00 46.02 44.33 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 0.88 0.37 -2.91 -0.61 6.09 -1.94 -3.40 117.51 115.99 1jkv h ILE 198 Ca 0.00 -1.33 -0.64 0.00 -1.37 0.00 0.00 64.86 61.52 1jkv h ILE 198 Cb 0.00 2.02 -0.09 0.00 0.47 0.00 0.00 36.82 39.22 1jkv h ILE 198 CO 0.00 0.19 -0.47 -0.63 -3.07 0.00 0.00 178.15 174.17 1jkv s ILE 199 N -3.28 5.45 -0.21 2.19 -1.09 -1.26 -5.07 121.20 117.94 1jkv s ILE 199 Ca 0.04 0.23 -0.10 0.00 -2.23 0.00 0.00 60.65 58.59 1jkv s ILE 199 Cb 0.07 -3.44 -0.05 0.00 -1.58 0.00 0.00 42.46 37.46 1jkv s ILE 199 CO 0.67 0.54 0.14 -0.69 -1.23 0.00 0.00 174.94 174.38 1jkv s VAL 200 N -0.45 5.40 0.64 2.92 1.01 -1.26 -1.70 120.40 126.96 1jkv s VAL 200 Ca 0.13 0.21 -0.13 0.00 0.00 0.00 0.00 61.98 62.19 1jkv s VAL 200 Cb -0.12 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 1jkv s VAL 200 CO 0.02 0.42 1.05 -2.16 0.00 0.00 0.00 175.10 174.43 1jkv s PRO 201 N 0.49 3.23 0.00 2.72 0.05 -1.26 -5.06 135.00 135.17 1jkv s PRO 201 Ca 0.08 0.98 0.10 0.00 0.05 0.00 0.00 61.00 62.22 1jkv s PRO 201 Cb -0.12 -2.03 0.32 0.00 0.05 0.00 0.00 34.50 32.73 1jkv s PRO 201 CO -0.01 -0.87 1.26 0.41 0.05 0.00 0.00 177.00 177.84 1jkv n GLY 202 N -1.83 0.28 0.94 0.56 0.00 -0.69 -4.09 105.19 100.36 1jkv n GLY 202 Ca 0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.78 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 0.29 2.35 -0.00 1.61 5.75 -1.26 -4.66 116.55 120.63 1jkv n ASP 203 Ca 0.10 -3.86 0.00 0.00 -0.01 0.00 0.00 54.79 51.02 1jkv n ASP 203 Cb 0.24 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.79 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 -1.07 2.47 -0.22 0.11 2.81 -1.26 -4.82 117.12 115.14 1jkv n MET 204 Ca 0.26 -1.34 -0.03 0.00 -1.81 0.00 0.00 57.70 54.79 1jkv n MET 204 Cb 0.81 -0.92 0.16 0.00 -0.71 0.00 0.00 33.22 32.57 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 1.02 -0.49 0.03 3.64 -1.89 -1.67 116.57 117.20 1jkv h LYS 205 Ca 0.00 -0.15 -0.12 0.00 -1.27 0.00 0.00 60.65 59.11 1jkv h LYS 205 Cb 0.59 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1jkv h LYS 205 CO 0.00 0.80 -0.16 0.93 -2.27 0.00 0.00 179.45 178.75 1jkv h GLU 206 N 1.01 0.96 -0.29 1.90 3.07 -1.98 -3.28 114.58 115.98 1jkv h GLU 206 Ca 0.25 -0.37 -0.09 0.00 -0.50 0.00 0.00 59.36 58.64 1jkv h GLU 206 Cb 0.12 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 1jkv h GLU 206 CO -0.03 1.04 -0.19 0.82 -1.40 0.00 0.00 179.01 179.25 1jkv h ILE 207 N 0.84 1.30 -4.23 3.13 2.04 -1.77 -3.46 117.51 115.37 1jkv h ILE 207 Ca 0.12 -1.32 -0.52 0.00 1.00 0.00 0.00 64.86 64.14 1jkv h ILE 207 Cb 0.71 1.53 0.16 0.00 -0.74 0.00 0.00 36.82 38.48 1jkv h ILE 207 CO 0.05 0.42 0.33 -1.83 0.00 0.00 0.00 178.15 177.12 1jkv s GLU 208 N -4.50 1.91 -1.03 2.37 -1.05 -0.68 -4.89 118.70 110.82 1jkv s GLU 208 Ca -0.13 1.55 -0.23 0.00 -0.15 0.00 0.00 54.97 56.01 1jkv s GLU 208 Cb 0.08 -1.83 0.03 0.00 -0.44 0.00 0.00 34.13 31.98 1jkv s GLU 208 CO 0.81 -1.96 1.58 -1.01 0.95 0.00 0.00 175.26 175.62 1jkv s HIS 209 N -2.39 2.42 0.55 4.83 3.76 -1.26 -4.86 115.29 118.35 1jkv s HIS 209 Ca 0.69 -0.64 0.26 0.00 -0.15 0.00 0.00 55.06 55.22 1jkv s HIS 209 Cb -0.24 -4.58 1.47 0.00 1.11 0.00 0.00 32.58 30.34 1jkv s HIS 209 CO 0.50 -1.88 2.02 0.77 -0.85 0.00 0.00 174.74 175.31 1jkv h SER 210 N 9.83 0.00 0.14 1.40 0.02 -1.90 -1.76 113.55 121.28 1jkv h SER 210 Ca 0.21 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1jkv h SER 210 Cb 0.99 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.53 1jkv h SER 210 CO 1.39 0.00 -0.01 1.05 -1.14 0.00 0.00 176.83 178.12 1jkv h GLU 211 N 0.00 0.00 -0.32 3.45 4.11 -2.00 -1.85 114.58 117.96 1jkv h GLU 211 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 1jkv h GLU 211 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1jkv h GLU 211 CO -0.00 0.01 0.00 1.19 0.07 0.00 0.00 179.01 180.28 1jkv n PHE 212 N -3.32 0.41 0.51 2.06 3.72 -0.66 -4.61 117.46 115.57 1jkv n PHE 212 Ca -0.03 -0.23 0.13 0.00 -0.05 0.00 0.00 57.45 57.27 1jkv n PHE 212 Cb 0.11 -0.00 0.36 0.00 -0.94 0.00 0.00 39.48 39.01 1jkv n PHE 212 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1jkv h SER 213 N 4.11 0.00 0.00 4.37 4.64 -1.45 -3.32 113.55 121.90 1jkv h SER 213 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1jkv h SER 213 Cb 0.92 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.99 1jkv h SER 213 CO 0.00 0.00 -0.33 1.41 -0.87 0.00 0.00 176.83 177.04 1jkv n HIS 214 N -2.49 0.00 -3.52 4.77 8.25 -1.26 -5.04 115.22 115.93 1jkv n HIS 214 Ca 0.05 -0.48 -0.40 0.00 -0.26 0.00 0.00 57.72 56.63 1jkv n HIS 214 Cb 0.44 -0.10 -0.10 0.00 1.12 0.00 0.00 29.99 31.34 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 -1.27 5.27 -0.15 1.59 1.01 -1.25 -1.29 120.40 124.31 1jkv s VAL 215 Ca 0.16 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.85 1jkv s VAL 215 Cb 0.15 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 1jkv s VAL 215 CO 0.00 0.08 1.23 -0.22 0.00 0.00 0.00 175.10 176.19 1jkv s LEU 216 N 1.80 4.19 -0.26 3.92 1.98 -0.09 -4.94 118.68 125.29 1jkv s LEU 216 Ca 0.08 1.68 -0.08 0.00 -2.89 0.00 0.00 54.13 52.92 1jkv s LEU 216 Cb -0.17 -3.54 -0.03 0.00 0.66 0.00 0.00 46.19 43.11 1jkv s LEU 216 CO 0.11 -0.73 0.10 -0.04 -1.89 0.00 0.00 176.35 173.90 1jkv s MET 217 N 3.27 3.65 -1.18 1.98 -1.94 -1.26 -1.10 119.30 122.72 1jkv s MET 217 Ca 0.54 -0.49 -0.19 0.00 -1.71 0.00 0.00 55.69 53.84 1jkv s MET 217 Cb -0.22 -3.40 0.09 0.00 2.01 0.00 0.00 34.83 33.31 1jkv s MET 217 CO 0.15 -0.22 1.56 1.21 -0.01 0.00 0.00 175.02 177.72 1jkv s ASN 218 N 1.63 6.78 0.21 3.03 2.47 -0.72 -4.81 114.94 123.54 1jkv s ASN 218 Ca 0.06 -2.27 0.23 0.00 0.42 0.00 0.00 52.86 51.30 1jkv s ASN 218 Cb -0.15 -2.53 0.14 0.00 -1.45 0.00 0.00 41.25 37.26 1jkv s ASN 218 CO 0.05 -1.17 1.20 -0.26 -3.72 0.00 0.00 177.10 173.20 1jkv h PHE 219 N 8.14 0.00 -3.67 0.43 0.04 -1.89 -3.42 116.94 116.58 1jkv h PHE 219 Ca 0.34 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 60.43 1jkv h PHE 219 Cb 0.92 0.00 -0.20 0.00 2.20 0.00 0.00 35.95 38.87 1jkv h PHE 219 CO 1.31 0.00 -0.70 0.45 -0.60 0.00 0.00 178.31 178.77 1jkv s SER 220 N -5.16 4.56 0.00 2.17 0.15 -1.26 -5.04 113.70 109.11 1jkv s SER 220 Ca 0.02 -0.06 0.18 0.00 0.70 0.00 0.00 55.95 56.80 1jkv s SER 220 Cb 0.10 -1.20 0.91 0.00 -1.71 0.00 0.00 66.02 64.12 1jkv s SER 220 CO 0.75 0.34 1.56 -0.90 1.20 0.00 0.00 173.24 176.19 1jkv n ASP 221 N 2.38 0.00 -4.72 5.45 5.75 -1.26 -4.69 116.55 119.47 1jkv n ASP 221 Ca -0.18 0.08 -0.35 0.00 -0.01 0.00 0.00 54.79 54.33 1jkv n ASP 221 Cb 0.53 -0.31 0.10 0.00 -1.03 0.00 0.00 41.12 40.41 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 -2.62 2.46 -0.02 6.12 0.00 -1.26 -4.95 107.32 107.05 1jkv s GLY 222 Ca 0.16 0.99 0.14 0.00 0.00 0.00 0.00 44.72 46.01 1jkv s GLY 222 CO 0.28 1.41 1.34 2.09 0.00 0.00 0.00 173.10 178.22 1jkv n ASP 223 N -2.65 3.30 -0.19 1.64 5.68 -1.26 -4.70 116.55 118.36 1jkv n ASP 223 Ca 0.14 -2.11 0.01 0.00 -0.50 0.00 0.00 54.79 52.33 1jkv n ASP 223 Cb 0.50 -0.32 0.26 0.00 -1.14 0.00 0.00 41.12 40.41 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 2.52 1.00 2.00 6.12 0.00 -1.94 -2.27 103.07 110.49 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 0.03 0.37 0.00 -1.14 0.00 0.00 0.00 176.54 175.81 1jkv n SER 225 N -4.42 0.43 0.33 0.19 3.41 -1.26 -2.25 113.62 110.04 1jkv n SER 225 Ca 0.07 0.61 0.22 0.00 -0.26 0.00 0.00 58.87 59.51 1jkv n SER 225 Cb 0.04 -0.70 1.17 0.00 -0.26 0.00 0.00 64.21 64.46 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 -1.77 -1.62 116.57 121.15 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 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1jkv h LYS 226 CO 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.18 1jkv h ALA 227 N 2.00 1.00 0.00 5.00 0.00 -1.65 -0.77 119.26 124.83 1jkv h ALA 227 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jkv h ALA 227 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1jkv h ALA 227 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 179.25 179.99 1jkv h PHE 228 N 0.00 0.00 -2.61 0.00 0.04 -1.54 -3.44 116.94 109.39 1jkv h PHE 228 Ca 0.00 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.24 1jkv h PHE 228 Cb 0.11 0.00 0.06 0.00 2.20 0.00 0.00 35.95 38.32 1jkv h PHE 228 CO 0.00 0.00 0.98 -1.91 -0.60 0.00 0.00 178.31 176.78 1jkv n GLU 229 N -3.08 2.69 -0.09 1.51 2.13 -0.30 -1.49 120.64 122.01 1jkv n GLU 229 Ca 0.02 0.97 0.00 0.00 0.66 0.00 0.00 57.16 58.82 1jkv n GLU 229 Cb 0.42 -2.81 0.00 0.00 0.27 0.00 0.00 31.44 29.33 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 3.87 2.42 3.80 8.31 0.00 -0.21 -4.99 105.19 118.38 1jkv n GLY 230 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.14 3.71 -0.27 1.61 -0.21 -0.56 -4.76 119.66 119.05 1jkv s GLN 231 Ca 0.00 1.35 -0.24 0.00 0.02 0.00 0.00 55.36 56.49 1jkv s GLN 231 Cb 0.00 -2.08 -0.00 0.00 1.00 0.00 0.00 33.01 31.93 1jkv s GLN 231 CO 0.00 -0.51 0.79 0.08 -2.12 0.00 0.00 175.29 173.53 1jkv s VAL 232 N -2.04 4.83 1.01 1.09 1.01 -1.26 -1.49 120.40 123.55 1jkv s VAL 232 Ca 0.67 1.36 -0.13 0.00 0.00 0.00 0.00 61.98 63.89 1jkv s VAL 232 Cb -0.17 -4.11 0.20 0.00 0.00 0.00 0.00 36.38 32.30 1jkv s VAL 232 CO 0.23 -0.14 1.09 0.00 0.00 0.00 0.00 175.10 176.28 1jkv s ALA 233 N 2.86 0.87 0.04 5.51 0.00 -0.09 -4.89 121.76 126.06 1jkv s ALA 233 Ca 0.33 -0.40 0.32 0.00 0.00 0.00 0.00 51.96 52.22 1jkv s ALA 233 Cb -0.15 -3.11 1.45 0.00 0.00 0.00 0.00 23.12 21.31 1jkv s ALA 233 CO 0.10 -2.91 1.97 -0.22 0.00 0.00 0.00 175.76 174.69 1jkv h LYS 234 N -1.95 0.00 -0.13 0.00 3.64 -1.97 -0.51 116.57 115.64 1jkv h LYS 234 Ca -0.55 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1jkv h LYS 234 Cb 1.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1jkv h LYS 234 CO 0.58 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.36 1jkv n ASP 235 N -2.83 1.42 0.00 4.20 5.75 -1.26 -4.93 116.55 118.89 1jkv n ASP 235 Ca 0.00 -1.65 0.00 0.00 -0.01 0.00 0.00 54.79 53.13 1jkv n ASP 235 Cb 0.23 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 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 1.08 0.74 3.83 6.12 0.00 -0.20 -5.07 105.19 111.70 1jkv n GLY 236 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.72 3.30 0.45 1.61 2.12 -1.26 -4.80 118.70 119.40 1jkv s GLU 237 Ca 0.00 -0.27 -0.21 0.00 0.36 0.00 0.00 54.97 54.85 1jkv s GLU 237 Cb 0.00 -3.05 -0.09 0.00 0.26 0.00 0.00 34.13 31.25 1jkv s GLU 237 CO 0.00 0.73 1.03 0.15 -0.54 0.00 0.00 175.26 176.63 1jkv s LYS 238 N -1.28 3.97 0.28 4.30 1.02 -1.26 -0.91 119.74 125.86 1jkv s LYS 238 Ca 0.18 1.37 -0.29 0.00 0.02 0.00 0.00 55.97 57.25 1jkv s LYS 238 Cb -0.12 -2.24 -0.10 0.00 -0.52 0.00 0.00 37.83 34.85 1jkv s LYS 238 CO 0.08 -0.29 1.09 -0.06 -0.92 0.00 0.00 175.35 175.25 1jkv s PHE 239 N -1.91 3.60 0.49 3.18 0.08 -0.55 -4.85 117.98 118.01 1jkv s PHE 239 Ca 0.64 1.71 0.08 0.00 0.12 0.00 0.00 56.93 59.48 1jkv s PHE 239 Cb -0.17 -3.26 0.03 0.00 -0.57 0.00 0.00 43.02 39.05 1jkv s PHE 239 CO 0.21 -0.49 0.57 0.95 -0.10 0.00 0.00 175.22 176.36 1jkv s THR 240 N -1.17 2.40 -0.02 0.64 -4.23 -0.41 -1.05 115.64 111.80 1jkv s THR 240 Ca 0.44 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 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 0.40 0.00 0.01 -0.47 -0.54 0.00 0.00 174.62 174.02 1jkv s TYR 241 N -2.56 0.14 -0.29 3.99 5.04 -1.26 -0.91 117.35 121.50 1jkv s TYR 241 Ca 0.52 0.04 0.01 0.00 -2.44 0.00 0.00 57.07 55.20 1jkv s TYR 241 Cb -0.06 -0.24 0.06 0.00 0.35 0.00 0.00 41.96 42.08 1jkv s TYR 241 CO 0.32 -0.07 -0.04 -1.14 -1.34 0.00 0.00 175.55 173.27 1jkv s GLN 242 N 0.72 2.26 0.29 4.97 0.74 -0.25 -4.94 119.66 123.44 1jkv s GLN 242 Ca -0.06 -1.37 0.03 0.00 0.05 0.00 0.00 55.36 54.00 1jkv s GLN 242 Cb -0.09 -3.05 0.45 0.00 1.10 0.00 0.00 33.01 31.41 1jkv s GLN 242 CO -0.02 -0.63 1.76 1.49 -0.55 0.00 0.00 175.29 177.34 1jkv h GLU 243 N 7.86 0.51 -2.76 1.67 4.81 -1.91 -1.92 114.58 122.84 1jkv h GLU 243 Ca -0.19 -0.17 -0.60 0.00 -0.13 0.00 0.00 59.36 58.27 1jkv h GLU 243 Cb 1.05 -0.04 -0.40 0.00 0.63 0.00 0.00 28.75 29.99 1jkv h GLU 243 CO 0.50 0.67 -0.78 -0.80 -0.73 0.00 0.00 179.01 177.87 1jkv s ASN 244 N -6.78 3.12 0.47 1.04 0.01 -1.26 -4.61 114.94 106.93 1jkv s ASN 244 Ca -0.07 -3.16 -0.23 0.00 -0.71 0.00 0.00 52.86 48.69 1jkv s ASN 244 Cb 0.14 -0.96 -0.09 0.00 0.41 0.00 0.00 41.25 40.75 1jkv s ASN 244 CO 0.79 -0.17 1.08 -2.65 -1.51 0.00 0.00 177.10 174.63 1jkv n PRO 245 N 2.81 1.41 -4.29 -0.60 -0.02 -1.26 -4.98 135.00 128.07 1jkv n PRO 245 Ca 0.20 0.51 -0.31 0.00 -2.02 0.00 0.00 63.50 61.88 1jkv n PRO 245 Cb 0.40 -2.18 -0.09 0.00 -0.02 0.00 0.00 33.50 31.61 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 -2.27 2.53 -0.54 -0.52 -1.05 -1.26 -5.07 118.70 110.53 1jkv s GLU 246 Ca 0.66 -0.78 -0.25 0.00 -0.15 0.00 0.00 54.97 54.45 1jkv s GLU 246 Cb -0.51 -2.52 0.04 0.00 -0.44 0.00 0.00 34.13 30.70 1jkv s GLU 246 CO 0.55 0.57 0.99 0.00 0.95 0.00 0.00 175.26 178.32 1jkv s ALA 247 N -1.14 3.14 -1.77 -0.84 0.00 -1.26 -4.91 121.76 114.98 1jkv s ALA 247 Ca 0.21 -1.08 0.22 0.00 0.00 0.00 0.00 51.96 51.31 1jkv s ALA 247 Cb -0.11 -3.78 -0.06 0.00 0.00 0.00 0.00 23.12 19.17 1jkv s ALA 247 CO 0.12 -2.38 1.03 -1.33 0.00 0.00 0.00 175.76 173.20 1jkv n MET 248 N 7.60 0.99 -0.31 0.00 0.00 -1.26 -4.71 117.12 119.44 1jkv n MET 248 Ca 0.04 -0.77 0.11 0.00 0.00 0.00 0.00 57.70 57.08 1jkv n MET 248 Cb 0.48 -1.47 0.28 0.00 0.00 0.00 0.00 33.22 32.51 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 1.42 2.30 0.39 3.03 0.00 -1.26 -5.09 105.19 105.99 1jkv n GLY 249 Ca 0.08 -0.75 0.05 0.00 0.00 0.00 0.00 46.02 45.40 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 1.52 -1.50 3.44 -0.02 0.00 -1.26 -4.81 105.19 102.56 1jkv n GLY 250 Ca 0.22 -1.43 -0.39 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.42 4.68 0.53 -0.61 1.01 -1.26 -5.08 121.20 119.05 1jkv s ILE 251 Ca 0.00 -0.43 -0.18 0.00 0.00 0.00 0.00 60.65 60.04 1jkv s ILE 251 Cb 0.00 -3.40 -0.07 0.00 0.01 0.00 0.00 42.46 39.00 1jkv s ILE 251 CO 0.00 0.04 1.04 -2.16 0.00 0.00 0.00 174.94 173.85 1jkv s PRO 252 N 1.62 3.64 -0.24 2.79 0.04 -1.26 -5.04 135.00 136.55 1jkv s PRO 252 Ca 0.05 1.26 -0.04 0.00 0.04 0.00 0.00 61.00 62.31 1jkv s PRO 252 Cb -0.17 -2.08 0.09 0.00 0.04 0.00 0.00 34.50 32.38 1jkv s PRO 252 CO 0.07 -0.55 0.16 -1.01 0.04 0.00 0.00 177.00 175.71 1jkv s HIS 253 N -2.21 0.05 0.27 0.56 3.76 -1.26 -5.14 115.29 111.31 1jkv s HIS 253 Ca 0.65 -0.41 -0.15 0.00 -0.15 0.00 0.00 55.06 55.00 1jkv s HIS 253 Cb -0.16 -0.67 -0.08 0.00 1.11 0.00 0.00 32.58 32.78 1jkv s HIS 253 CO 0.27 -0.72 0.68 0.42 -0.85 0.00 0.00 174.74 174.54 1jkv s ILE 254 N 2.19 4.72 0.25 0.60 1.01 -1.26 -5.03 121.20 123.68 1jkv s ILE 254 Ca 0.07 0.91 -0.30 0.00 0.00 0.00 0.00 60.65 61.33 1jkv s ILE 254 Cb -0.16 -3.67 -0.10 0.00 0.01 0.00 0.00 42.46 38.54 1jkv s ILE 254 CO -0.24 -0.04 1.40 -0.54 0.00 0.00 0.00 174.94 175.52 1jkv s LYS 255 N -2.64 4.30 0.37 2.79 1.02 -1.26 -4.97 119.74 119.34 1jkv s LYS 255 Ca 0.49 2.24 -0.27 0.00 0.02 0.00 0.00 55.97 58.45 1jkv s LYS 255 Cb -0.12 -3.12 -0.11 0.00 -0.52 0.00 0.00 37.83 33.95 1jkv s LYS 255 CO 0.19 -0.37 1.25 -2.30 -0.92 0.00 0.00 175.35 173.20 1jkv n PRO 256 N 2.27 1.96 -1.22 -1.68 -0.02 -1.26 -4.97 135.00 130.09 1jkv n PRO 256 Ca 0.06 0.69 -0.30 0.00 -2.02 0.00 0.00 63.50 61.93 1jkv n PRO 256 Cb 0.41 -2.30 0.13 0.00 -0.02 0.00 0.00 33.50 31.72 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 -0.43 1.63 0.32 -1.23 0.00 -1.26 -4.99 107.32 101.37 1jkv s GLY 257 Ca 0.58 0.01 -0.28 0.00 0.00 0.00 0.00 44.72 45.02 1jkv s GLY 257 CO 0.60 0.46 1.23 1.34 0.00 0.00 0.00 173.10 176.73 1jkv n ASP 258 N -3.80 2.40 0.13 1.64 -0.08 -1.26 -4.88 116.55 110.70 1jkv n ASP 258 Ca 0.07 1.20 0.19 0.00 -1.51 0.00 0.00 54.79 54.75 1jkv n ASP 258 Cb 0.55 -1.43 0.75 0.00 2.34 0.00 0.00 41.12 43.33 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 2.48 0.00 0.00 -0.67 0.11 -2.00 -1.51 132.00 130.42 1jkv h PRO 259 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1jkv h PRO 259 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1jkv h PRO 259 CO 0.63 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.42 1jkv h ARG 260 N 0.00 0.00 0.00 1.05 3.08 -2.04 -1.31 114.38 115.15 1jkv h ARG 260 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1jkv h ARG 260 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1jkv h ARG 260 CO -0.00 0.00 -0.63 -0.07 -1.07 0.00 0.00 179.97 178.20 1jkv h LEU 261 N 0.00 0.00 -1.11 3.04 3.38 -1.62 -3.48 115.31 115.52 1jkv h LEU 261 Ca 0.00 -0.17 -0.40 0.00 0.09 0.00 0.00 57.88 57.39 1jkv h LEU 261 Cb 0.09 0.00 0.10 0.00 0.09 0.00 0.00 40.66 40.94 1jkv h LEU 261 CO 0.00 0.09 -0.73 1.41 0.09 0.00 0.00 178.44 179.30 1jkv n HIS 262 N -2.21 -2.56 -2.20 1.13 8.25 -0.50 -4.87 115.22 112.26 1jkv n HIS 262 Ca 0.03 0.97 -0.43 0.00 -0.26 0.00 0.00 57.72 58.03 1jkv n HIS 262 Cb 0.45 -4.78 0.00 0.00 1.12 0.00 0.00 29.99 26.78 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 -3.01 4.52 -4.53 0.41 3.02 -1.26 -4.93 115.26 109.48 1jkv n ASN 263 Ca -0.07 -2.92 -0.42 0.00 -0.03 0.00 0.00 54.58 51.13 1jkv n ASN 263 Cb 0.58 -1.64 -0.04 0.00 -0.61 0.00 0.00 39.78 38.08 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 2.81 2.66 0.00 3.10 3.76 -1.26 -4.80 115.29 121.55 1jkv s HIS 264 Ca 0.47 0.01 0.00 0.00 -0.15 0.00 0.00 55.06 55.40 1jkv s HIS 264 Cb 0.09 -4.29 0.00 0.00 1.11 0.00 0.00 32.58 29.49 1jkv s HIS 264 CO -0.02 -1.55 0.91 1.04 -0.85 0.00 0.00 174.74 174.27 1jkv n GLN 265 N 7.99 2.30 -0.42 1.40 6.02 -1.26 -5.28 117.38 128.13 1jkv n GLN 265 Ca 0.03 -1.31 0.00 0.00 -0.01 0.00 0.00 57.00 55.70 1jkv n GLN 265 Cb 0.48 -0.98 0.00 0.00 1.02 0.00 0.00 30.24 30.76 1jkv n GLN 265 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46