#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkv n GLN 3 N 0.00 1.06 -2.68 0.00 0.00 -0.82 -4.58 117.38 110.35 2jkv n GLN 3 Ca 0.00 0.02 -0.40 0.00 0.00 0.00 0.00 57.00 56.62 2jkv n GLN 3 Cb 0.00 -1.44 -0.06 0.00 0.00 0.00 0.00 30.24 28.75 2jkv n GLN 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jkv s ALA 4 N -2.42 3.35 -0.02 2.61 0.00 -0.01 -4.86 121.76 120.42 2jkv s ALA 4 Ca -0.13 0.69 0.11 0.00 0.00 0.00 0.00 51.96 52.63 2jkv s ALA 4 Cb 0.06 -3.24 -0.09 0.00 0.00 0.00 0.00 23.12 19.85 2jkv s ALA 4 CO 0.66 0.11 1.30 -0.44 0.00 0.00 0.00 175.76 177.39 2jkv h ASP 5 N 4.04 0.00 -4.62 0.00 3.32 -0.80 -2.10 116.42 116.26 2jkv h ASP 5 Ca -0.45 0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.65 2jkv h ASP 5 Cb 1.20 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.58 2jkv h ASP 5 CO 0.68 0.77 0.42 -0.51 -1.72 0.00 0.00 179.24 178.87 2jkv s ILE 6 N -2.82 0.00 0.18 0.35 2.07 -1.06 -4.66 121.20 115.26 2jkv s ILE 6 Ca 0.02 0.00 0.10 0.00 -1.41 0.00 0.00 60.65 59.36 2jkv s ILE 6 Cb 0.09 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.63 2jkv s ILE 6 CO 0.79 0.00 -0.17 0.00 -1.91 0.00 0.00 174.94 173.64 2jkv s ALA 7 N -2.42 2.72 -0.01 1.50 0.00 -0.64 -0.55 121.76 122.36 2jkv s ALA 7 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.41 2jkv s ALA 7 Cb -0.01 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.61 2jkv s ALA 7 CO -0.04 0.46 0.00 -1.17 0.00 0.00 0.00 175.76 175.01 2jkv s LEU 8 N -2.71 1.52 -0.16 0.00 0.20 -0.46 -0.65 118.68 116.42 2jkv s LEU 8 Ca 0.22 -0.00 -0.02 0.00 0.69 0.00 0.00 54.13 55.02 2jkv s LEU 8 Cb -0.08 -0.10 -0.01 0.00 -0.43 0.00 0.00 46.19 45.56 2jkv s LEU 8 CO 0.12 -0.06 -0.09 -0.63 -0.29 0.00 0.00 176.35 175.40 2jkv s ILE 9 N 0.56 3.25 0.00 6.68 1.01 0.11 -1.37 121.20 131.44 2jkv s ILE 9 Ca -0.05 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.03 2jkv s ILE 9 Cb -0.07 -2.41 0.00 0.00 0.01 0.00 0.00 42.46 39.99 2jkv s ILE 9 CO -0.01 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.03 2jkv n GLY 10 N 3.90 2.36 2.15 6.18 0.00 -0.18 -0.90 105.19 118.70 2jkv n GLY 10 Ca -0.18 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.62 2jkv n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jkv n LEU 11 N 0.00 5.05 0.00 0.99 4.77 -1.26 -4.01 117.00 122.54 2jkv n LEU 11 Ca 0.00 -4.84 0.00 0.00 -0.03 0.00 0.00 56.01 51.14 2jkv n LEU 11 Cb 0.00 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 2jkv n LEU 11 CO 0.00 2.10 0.00 0.00 -1.33 0.00 0.00 177.39 178.16 2jkv n ALA 12 N -0.66 0.00 -0.07 -1.18 0.00 -1.26 -4.65 120.51 112.69 2jkv n ALA 12 Ca 0.44 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.81 2jkv n ALA 12 Cb 0.87 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.32 2jkv n ALA 12 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2jkv h VAL 13 N 0.00 0.54 -0.04 0.00 3.04 -1.97 -1.91 116.25 115.92 2jkv h VAL 13 Ca 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 2jkv h VAL 13 Cb 0.00 0.54 -0.00 0.00 -2.01 0.00 0.00 31.29 29.82 2jkv h VAL 13 CO 0.00 0.00 -0.00 0.24 -1.01 0.00 0.00 177.57 176.80 2jkv h MET 14 N -0.12 0.06 0.26 4.17 2.86 -1.93 -2.66 114.93 117.57 2jkv h MET 14 Ca 0.15 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2jkv h MET 14 Cb 0.35 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2jkv h MET 14 CO -0.36 0.37 -0.12 0.78 1.06 0.00 0.00 176.91 178.64 2jkv h GLY 15 N -0.25 -0.36 0.53 8.32 0.00 -1.67 0.08 103.07 109.73 2jkv h GLY 15 Ca 0.01 0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.51 2jkv h GLY 15 CO 0.00 -0.13 -0.10 1.46 0.00 0.00 0.00 176.54 177.77 2jkv h GLN 16 N -0.37 -0.10 -0.64 4.80 4.20 -1.44 -1.19 115.11 120.37 2jkv h GLN 16 Ca -0.04 0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 2jkv h GLN 16 Cb 0.29 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 2jkv h GLN 16 CO 0.06 -0.06 0.09 -0.91 -0.67 0.00 0.00 178.83 177.34 2jkv h ASN 17 N -0.10 1.00 -0.01 1.46 2.35 -1.34 -2.04 115.58 116.91 2jkv h ASN 17 Ca 0.09 -0.24 -0.12 0.00 -0.55 0.00 0.00 56.30 55.49 2jkv h ASN 17 Cb 0.24 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 2jkv h ASN 17 CO -0.22 1.00 -0.36 0.25 -1.65 0.00 0.00 177.43 176.45 2jkv h LEU 18 N 0.98 0.52 0.03 1.61 5.85 -0.79 -1.08 115.31 122.43 2jkv h LEU 18 Ca 0.19 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.71 2jkv h LEU 18 Cb 0.44 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2jkv h LEU 18 CO 0.01 0.84 -0.08 0.40 -0.34 0.00 0.00 178.44 179.28 2jkv h ILE 19 N 0.42 0.81 -0.49 4.05 2.04 -0.88 -0.97 117.51 122.50 2jkv h ILE 19 Ca 0.04 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 2jkv h ILE 19 Cb 0.83 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 2jkv h ILE 19 CO 0.07 0.00 0.30 -0.07 0.00 0.00 0.00 178.15 178.45 2jkv h LEU 20 N -0.15 0.57 -0.01 1.44 3.38 -1.13 0.50 115.31 119.92 2jkv h LEU 20 Ca 0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jkv h LEU 20 Cb 0.17 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2jkv h LEU 20 CO -0.06 0.43 0.00 -1.13 0.09 0.00 0.00 178.44 177.78 2jkv h ASN 21 N 0.66 0.01 -0.81 -0.43 -0.73 -0.70 -0.50 115.58 113.08 2jkv h ASN 21 Ca 0.18 -0.18 -0.01 0.00 1.87 0.00 0.00 56.30 58.15 2jkv h ASN 21 Cb -0.04 -0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.51 2jkv h ASN 21 CO -0.03 0.19 0.47 0.24 -0.37 0.00 0.00 177.43 177.93 2jkv h MET 22 N -0.17 1.12 -0.38 6.67 2.86 -0.75 -2.16 114.93 122.12 2jkv h MET 22 Ca 0.00 -0.11 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 2jkv h MET 22 Cb 0.19 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 2jkv h MET 22 CO -0.00 0.80 0.22 -0.97 1.06 0.00 0.00 176.91 178.03 2jkv h ASN 23 N 1.13 0.36 0.31 1.22 -1.24 -0.71 -2.03 115.58 114.63 2jkv h ASN 23 Ca 0.29 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.30 2jkv h ASN 23 Cb -0.01 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 38.97 2jkv h ASN 23 CO -0.05 0.26 -0.03 0.44 -1.29 0.00 0.00 177.43 176.76 2jkv h ASP 24 N 0.45 0.00 -0.61 1.15 3.32 -0.45 0.54 116.42 120.82 2jkv h ASP 24 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2jkv h ASP 24 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2jkv h ASP 24 CO -0.07 0.03 0.00 1.41 -1.72 0.00 0.00 179.24 178.89 2jkv n HIS 25 N -3.32 0.88 -0.19 4.55 8.25 -0.87 -4.92 115.22 119.60 2jkv n HIS 25 Ca -0.02 -0.42 0.00 0.00 -0.26 0.00 0.00 57.72 57.02 2jkv n HIS 25 Cb 0.17 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.25 2jkv n HIS 25 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jkv n GLY 26 N 1.42 0.63 3.74 -1.41 0.00 0.18 -5.05 105.19 104.70 2jkv n GLY 26 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 2jkv n GLY 26 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jkv s PHE 27 N -2.34 3.79 -0.16 1.61 0.08 -0.82 -5.01 117.98 115.13 2jkv s PHE 27 Ca 0.00 1.60 -0.27 0.00 0.12 0.00 0.00 56.93 58.38 2jkv s PHE 27 Cb 0.00 -2.89 -0.01 0.00 -0.57 0.00 0.00 43.02 39.55 2jkv s PHE 27 CO 0.00 0.29 0.93 0.08 -0.10 0.00 0.00 175.22 176.42 2jkv s VAL 28 N -0.19 4.81 -0.07 -0.44 1.01 -1.26 -3.96 120.40 120.30 2jkv s VAL 28 Ca 0.41 1.84 0.05 0.00 0.00 0.00 0.00 61.98 64.28 2jkv s VAL 28 Cb -0.22 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 31.92 2jkv s VAL 28 CO 0.26 -0.03 -0.23 -0.69 0.00 0.00 0.00 175.10 174.41 2jkv s VAL 29 N 2.36 2.23 -0.30 2.92 1.01 -1.26 -0.11 120.40 127.25 2jkv s VAL 29 Ca 0.42 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.28 2jkv s VAL 29 Cb -0.17 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 2jkv s VAL 29 CO 0.13 0.57 0.23 0.00 0.00 0.00 0.00 175.10 176.03 2jkv s ALA 31 N 1.79 3.63 0.07 0.00 0.00 0.96 -1.36 121.76 126.86 2jkv s ALA 31 Ca 0.08 -0.12 -0.07 0.00 0.00 0.00 0.00 51.96 51.85 2jkv s ALA 31 Cb -0.16 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.43 2jkv s ALA 31 CO 0.11 0.38 0.14 0.12 0.00 0.00 0.00 175.76 176.51 2jkv s PHE 32 N -0.84 0.22 -0.06 0.00 5.36 -0.47 -2.49 117.98 119.69 2jkv s PHE 32 Ca 0.26 -0.65 -0.24 0.00 -0.96 0.00 0.00 56.93 55.33 2jkv s PHE 32 Cb -0.17 -0.13 0.05 0.00 -0.34 0.00 0.00 43.02 42.43 2jkv s PHE 32 CO 0.15 -0.49 0.55 1.21 -1.46 0.00 0.00 175.22 175.18 2jkv s ASN 33 N -2.75 -0.50 0.13 6.13 2.47 -1.26 -1.01 114.94 118.15 2jkv s ASN 33 Ca 0.04 0.58 -0.27 0.00 0.42 0.00 0.00 52.86 53.63 2jkv s ASN 33 Cb 0.05 0.56 -0.04 0.00 -1.45 0.00 0.00 41.25 40.37 2jkv s ASN 33 CO -0.10 -0.50 1.60 -0.09 -3.72 0.00 0.00 177.10 174.29 2jkv h ARG 34 N 3.59 -0.43 -6.29 0.43 2.43 -2.00 -3.27 114.38 108.85 2jkv h ARG 34 Ca -0.28 0.03 -0.53 0.00 -0.81 0.00 0.00 59.98 58.39 2jkv h ARG 34 Cb 1.16 0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 30.73 2jkv h ARG 34 CO 0.36 -0.29 1.12 0.99 -1.51 0.00 0.00 179.97 180.64 2jkv s THR 35 N -5.96 3.65 0.37 0.20 2.01 -1.26 -4.87 115.64 109.78 2jkv s THR 35 Ca -0.15 0.39 0.14 0.00 0.31 0.00 0.00 61.69 62.37 2jkv s THR 35 Cb 0.10 -4.70 0.12 0.00 0.01 0.00 0.00 72.50 68.03 2jkv s THR 35 CO 0.65 -1.63 1.85 0.58 -0.69 0.00 0.00 174.62 175.39 2jkv h VAL 36 N 6.22 1.19 -0.78 3.82 2.07 -1.95 -2.09 116.25 124.73 2jkv h VAL 36 Ca -0.27 -1.17 0.17 0.00 0.82 0.00 0.00 66.70 66.24 2jkv h VAL 36 Cb 1.07 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 32.44 2jkv h VAL 36 CO 1.26 0.33 0.53 0.77 0.02 0.00 0.00 177.57 180.48 2jkv h SER 37 N 0.00 0.31 0.64 0.57 4.64 -1.90 -1.26 113.55 116.55 2jkv h SER 37 Ca -0.00 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 2jkv h SER 37 Cb 0.62 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2jkv h SER 37 CO 0.04 0.15 -0.16 0.11 -0.87 0.00 0.00 176.83 176.11 2jkv h LYS 38 N 0.32 0.00 -0.13 4.77 1.57 -1.76 -2.28 116.57 119.07 2jkv h LYS 38 Ca 0.39 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.16 2jkv h LYS 38 Cb 1.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 2jkv h LYS 38 CO -0.11 0.16 0.06 0.28 -0.57 0.00 0.00 179.45 179.26 2jkv h VAL 39 N 0.00 1.13 -0.54 0.50 2.07 -1.38 -1.16 116.25 116.86 2jkv h VAL 39 Ca -0.00 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 2jkv h VAL 39 Cb 0.52 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2jkv h VAL 39 CO 0.02 0.11 -0.03 0.44 0.02 0.00 0.00 177.57 178.14 2jkv h ASP 40 N 0.07 0.97 -0.96 0.57 3.32 -1.54 -1.48 116.42 117.36 2jkv h ASP 40 Ca 0.04 -0.32 0.01 0.00 0.02 0.00 0.00 57.03 56.78 2jkv h ASP 40 Cb 0.13 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.37 2jkv h ASP 40 CO -0.01 1.05 0.62 0.44 -1.72 0.00 0.00 179.24 179.63 2jkv h ASP 41 N 0.86 1.12 -0.11 6.45 3.32 -1.37 -0.88 116.42 125.81 2jkv h ASP 41 Ca 0.15 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2jkv h ASP 41 Cb 0.57 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 2jkv h ASP 41 CO 0.03 0.82 0.04 0.15 -1.72 0.00 0.00 179.24 178.57 2jkv h PHE 42 N 1.31 0.17 0.00 4.55 3.57 -0.81 -1.72 116.94 124.01 2jkv h PHE 42 Ca 0.35 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.80 2jkv h PHE 42 Cb -0.12 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 2jkv h PHE 42 CO -0.00 0.28 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.15 2jkv h LEU 43 N 0.01 0.00 0.00 0.59 3.38 -0.93 -0.16 115.31 118.20 2jkv h LEU 43 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2jkv h LEU 43 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2jkv h LEU 43 CO -0.00 0.14 -0.73 0.00 0.09 0.00 0.00 178.44 177.94 2jkv n ALA 44 N -2.22 3.21 -1.96 1.53 0.00 -0.37 -3.37 120.51 117.33 2jkv n ALA 44 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2jkv n ALA 44 Cb 0.33 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.68 2jkv n ALA 44 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2jkv n ASN 45 N -1.95 0.00 -0.16 0.00 3.02 -0.67 -4.66 115.26 110.84 2jkv n ASN 45 Ca 0.03 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.75 2jkv n ASN 45 Cb 0.42 0.00 0.53 0.00 -0.61 0.00 0.00 39.78 40.11 2jkv n ASN 45 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2jkv h GLU 46 N 0.00 0.36 -0.58 3.52 3.07 -1.72 0.13 114.58 119.36 2jkv h GLU 46 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2jkv h GLU 46 Cb 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 2jkv h GLU 46 CO 0.00 0.24 0.00 0.00 -1.40 0.00 0.00 179.01 177.85 2jkv n ALA 47 N -2.54 3.34 -0.30 3.43 0.00 -0.11 -4.71 120.51 119.62 2jkv n ALA 47 Ca 0.15 -1.78 0.11 0.00 0.00 0.00 0.00 53.44 51.92 2jkv n ALA 47 Cb 0.57 -1.00 0.27 0.00 0.00 0.00 0.00 19.45 19.30 2jkv n ALA 47 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2jkv h LYS 48 N 3.78 0.50 -0.70 0.00 1.63 -0.97 -2.64 116.57 118.17 2jkv h LYS 48 Ca 0.00 -0.03 -0.48 0.00 -0.85 0.00 0.00 60.65 59.29 2jkv h LYS 48 Cb 1.62 -0.11 -0.31 0.00 -0.60 0.00 0.00 32.23 32.83 2jkv h LYS 48 CO 0.32 0.33 -0.25 0.41 -3.45 0.00 0.00 179.45 176.81 2jkv n GLY 49 N -1.33 5.91 3.75 5.01 0.00 -1.26 -4.99 105.19 112.29 2jkv n GLY 49 Ca 0.20 -2.22 -0.32 0.00 0.00 0.00 0.00 46.02 43.68 2jkv n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jkv s THR 50 N -4.31 1.35 -2.11 2.61 -4.23 -1.00 -5.02 115.64 102.93 2jkv s THR 50 Ca 0.53 -1.96 0.20 0.00 -1.18 0.00 0.00 61.69 59.28 2jkv s THR 50 Cb 0.43 -2.31 0.53 0.00 1.34 0.00 0.00 72.50 72.49 2jkv s THR 50 CO 0.01 0.00 1.69 0.29 -0.54 0.00 0.00 174.62 176.08 2jkv n LYS 51 N -1.25 1.26 -2.12 3.99 4.01 -1.26 -4.94 118.16 117.85 2jkv n LYS 51 Ca -0.15 -0.39 -0.41 0.00 -0.51 0.00 0.00 58.31 56.85 2jkv n LYS 51 Cb 0.67 -1.34 -0.02 0.00 -0.51 0.00 0.00 35.03 33.82 2jkv n LYS 51 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2jkv s VAL 52 N -1.93 2.84 0.21 -0.18 1.01 -1.26 -4.47 120.40 116.62 2jkv s VAL 52 Ca 0.31 0.76 0.10 0.00 0.00 0.00 0.00 61.98 63.15 2jkv s VAL 52 Cb 0.15 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 2jkv s VAL 52 CO 0.24 0.15 -0.15 0.68 0.00 0.00 0.00 175.10 176.02 2jkv s VAL 53 N -0.48 2.85 0.32 2.92 -7.23 -0.51 -5.00 120.40 113.28 2jkv s VAL 53 Ca 0.54 -1.91 0.09 0.00 -1.81 0.00 0.00 61.98 58.89 2jkv s VAL 53 Cb -0.39 -2.43 -0.05 0.00 0.56 0.00 0.00 36.38 34.07 2jkv s VAL 53 CO 0.46 -0.18 0.03 -0.83 -0.31 0.00 0.00 175.10 174.26 2jkv s GLY 54 N -2.97 1.92 0.13 2.32 0.00 -1.26 -0.03 107.32 107.43 2jkv s GLY 54 Ca 0.25 -1.85 0.06 0.00 0.00 0.00 0.00 44.72 43.19 2jkv s GLY 54 CO 0.14 -1.82 -0.15 0.00 0.00 0.00 0.00 173.10 171.27 2jkv s ALA 55 N -2.45 1.59 -1.48 3.20 0.00 -1.04 -4.86 121.76 116.72 2jkv s ALA 55 Ca 0.34 -1.32 0.22 0.00 0.00 0.00 0.00 51.96 51.20 2jkv s ALA 55 Cb -0.02 -0.10 -0.09 0.00 0.00 0.00 0.00 23.12 22.91 2jkv s ALA 55 CO 0.20 0.13 1.02 1.04 0.00 0.00 0.00 175.76 178.15 2jkv n GLN 56 N 0.52 0.55 -3.57 0.00 1.13 -1.26 -4.84 117.38 109.91 2jkv n GLN 56 Ca -0.15 -0.45 -0.11 0.00 -1.94 0.00 0.00 57.00 54.35 2jkv n GLN 56 Cb 0.57 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.40 2jkv n GLN 56 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2jkv s SER 57 N -2.76 -0.41 0.14 1.08 1.04 -1.26 -5.01 113.70 106.53 2jkv s SER 57 Ca 0.13 -0.22 -0.17 0.00 0.48 0.00 0.00 55.95 56.17 2jkv s SER 57 Cb 0.17 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.86 2jkv s SER 57 CO 0.73 -0.99 1.79 -0.07 0.98 0.00 0.00 173.24 175.67 2jkv h LEU 58 N 2.12 0.33 -0.47 2.42 3.38 -1.98 -0.81 115.31 120.30 2jkv h LEU 58 Ca -0.32 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.75 2jkv h LEU 58 Cb 1.28 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.87 2jkv h LEU 58 CO 0.38 0.24 -0.16 0.50 0.09 0.00 0.00 178.44 179.49 2jkv h LYS 59 N 0.40 -0.06 -0.60 1.13 3.64 -1.96 0.15 116.57 119.27 2jkv h LYS 59 Ca 0.12 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 2jkv h LYS 59 Cb -0.02 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2jkv h LYS 59 CO -0.04 -0.04 0.21 1.49 -2.27 0.00 0.00 179.45 178.80 2jkv h GLU 60 N -0.06 0.92 -0.09 1.90 4.81 -1.90 -2.52 114.58 117.65 2jkv h GLU 60 Ca 0.23 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2jkv h GLU 60 Cb 0.40 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 2jkv h GLU 60 CO -0.51 0.80 0.06 1.98 -0.73 0.00 0.00 179.01 180.60 2jkv h MET 61 N 0.84 0.11 -0.81 1.92 4.05 -0.01 -2.57 114.93 118.45 2jkv h MET 61 Ca 0.20 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.63 2jkv h MET 61 Cb 0.25 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.98 2jkv h MET 61 CO -0.01 0.07 0.54 0.28 0.23 0.00 0.00 176.91 178.02 2jkv h VAL 62 N 0.11 1.17 0.00 -5.77 2.07 -0.70 -2.45 116.25 110.68 2jkv h VAL 62 Ca 0.03 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2jkv h VAL 62 Cb -0.01 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.78 2jkv h VAL 62 CO -0.01 0.19 -0.03 0.77 0.02 0.00 0.00 177.57 178.51 2jkv h SER 63 N 1.05 0.00 0.19 0.57 4.64 -1.05 -2.48 113.55 116.48 2jkv h SER 63 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2jkv h SER 63 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2jkv h SER 63 CO -0.08 0.03 -0.09 0.29 -0.87 0.00 0.00 176.83 176.11 2jkv n LYS 64 N -3.17 1.01 -3.56 4.77 5.02 -0.92 -3.67 118.16 117.64 2jkv n LYS 64 Ca -0.00 -0.43 -0.38 0.00 -2.02 0.00 0.00 58.31 55.48 2jkv n LYS 64 Cb 0.27 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.72 2jkv n LYS 64 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jkv s LEU 65 N -2.29 4.43 0.39 -0.35 1.43 -0.94 -0.83 118.68 120.53 2jkv s LEU 65 Ca 0.33 0.83 -0.26 0.00 -1.03 0.00 0.00 54.13 54.01 2jkv s LEU 65 Cb 0.20 -2.49 -0.09 0.00 0.03 0.00 0.00 46.19 43.85 2jkv s LEU 65 CO 0.43 0.30 1.16 -0.54 0.23 0.00 0.00 176.35 177.94 2jkv s LYS 66 N -0.84 4.12 0.17 1.70 1.02 -0.79 -4.69 119.74 120.44 2jkv s LYS 66 Ca 0.22 1.83 -0.17 0.00 0.02 0.00 0.00 55.97 57.87 2jkv s LYS 66 Cb -0.15 -2.73 -0.07 0.00 -0.52 0.00 0.00 37.83 34.35 2jkv s LYS 66 CO 0.11 -0.26 0.62 0.15 -0.92 0.00 0.00 175.35 175.05 2jkv s LYS 67 N -2.22 4.10 0.16 1.68 1.02 -1.26 -2.51 119.74 120.71 2jkv s LYS 67 Ca 0.56 0.65 -0.31 0.00 0.02 0.00 0.00 55.97 56.89 2jkv s LYS 67 Cb -0.31 -2.93 -0.09 0.00 -0.52 0.00 0.00 37.83 33.99 2jkv s LYS 67 CO 0.39 0.46 1.40 -1.25 -0.92 0.00 0.00 175.35 175.42 2jkv s PRO 68 N -1.91 4.32 0.29 -1.68 0.04 -1.26 -5.09 135.00 129.70 2jkv s PRO 68 Ca 0.39 2.13 -0.29 0.00 0.04 0.00 0.00 61.00 63.27 2jkv s PRO 68 Cb -0.16 -3.21 -0.10 0.00 0.04 0.00 0.00 34.50 31.07 2jkv s PRO 68 CO 0.20 -0.41 1.45 1.03 0.04 0.00 0.00 177.00 179.30 2jkv s ARG 69 N 0.66 4.24 -0.14 4.56 0.52 -1.04 -4.80 118.95 122.94 2jkv s ARG 69 Ca 0.63 2.37 0.01 0.00 -0.52 0.00 0.00 55.73 58.22 2jkv s ARG 69 Cb -0.38 -3.07 0.02 0.00 0.52 0.00 0.00 34.95 32.04 2jkv s ARG 69 CO 0.34 -0.43 -0.15 1.03 0.02 0.00 0.00 175.30 176.11 2jkv s ARG 70 N -0.93 2.36 -0.08 3.54 0.52 -1.26 -0.08 118.95 123.01 2jkv s ARG 70 Ca 0.57 -0.59 0.03 0.00 -0.52 0.00 0.00 55.73 55.22 2jkv s ARG 70 Cb -0.43 -2.10 0.01 0.00 0.52 0.00 0.00 34.95 32.95 2jkv s ARG 70 CO 0.49 -0.19 -0.17 0.42 0.02 0.00 0.00 175.30 175.87 2jkv s ILE 71 N 1.33 1.53 -0.13 1.52 1.09 -0.48 -1.62 121.20 124.44 2jkv s ILE 71 Ca 0.02 -0.71 -0.04 0.00 -1.10 0.00 0.00 60.65 58.82 2jkv s ILE 71 Cb -0.13 -1.35 -0.03 0.00 -1.06 0.00 0.00 42.46 39.88 2jkv s ILE 71 CO -0.08 0.44 -0.00 -0.63 -0.10 0.00 0.00 174.94 174.56 2jkv s ILE 72 N 0.53 4.23 -0.23 2.92 1.01 0.18 -0.49 121.20 129.35 2jkv s ILE 72 Ca -0.16 -0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.16 2jkv s ILE 72 Cb -0.17 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 2jkv s ILE 72 CO 0.06 0.53 0.07 -0.76 0.00 0.00 0.00 174.94 174.84 2jkv s LEU 73 N -0.12 3.59 -0.50 2.97 1.43 0.02 0.07 118.68 126.13 2jkv s LEU 73 Ca 0.04 -0.10 0.08 0.00 -1.03 0.00 0.00 54.13 53.11 2jkv s LEU 73 Cb -0.13 -1.94 0.29 0.00 0.03 0.00 0.00 46.19 44.44 2jkv s LEU 73 CO 0.02 0.03 0.74 0.18 0.23 0.00 0.00 176.35 177.55 2jkv n LEU 74 N 4.47 2.36 -4.61 1.79 4.77 -0.07 -0.86 117.00 124.85 2jkv n LEU 74 Ca -0.16 -5.21 -0.27 0.00 -0.03 0.00 0.00 56.01 50.33 2jkv n LEU 74 Cb 0.52 0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 2jkv n LEU 74 CO 0.32 2.19 -0.31 0.68 -1.33 0.00 0.00 177.39 178.94 2jkv s VAL 75 N -2.63 2.14 0.12 4.08 -7.23 -1.26 -4.53 120.40 111.09 2jkv s VAL 75 Ca 0.41 -2.04 -0.35 0.00 -1.81 0.00 0.00 61.98 58.19 2jkv s VAL 75 Cb 0.23 -2.88 -0.16 0.00 0.56 0.00 0.00 36.38 34.13 2jkv s VAL 75 CO -0.08 -0.07 1.33 1.17 -0.31 0.00 0.00 175.10 177.13 2jkv n LYS 76 N -0.94 1.31 -1.73 4.82 4.81 -1.26 -4.68 118.16 120.49 2jkv n LYS 76 Ca -0.05 0.47 -0.34 0.00 -0.87 0.00 0.00 58.31 57.52 2jkv n LYS 76 Cb 0.65 -2.09 0.06 0.00 0.02 0.00 0.00 35.03 33.67 2jkv n LYS 76 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jkv s ALA 77 N 0.34 2.38 0.00 3.14 0.00 -1.26 -4.42 121.76 121.94 2jkv s ALA 77 Ca 0.80 0.76 0.00 0.00 0.00 0.00 0.00 51.96 53.52 2jkv s ALA 77 Cb -0.88 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 18.84 2jkv s ALA 77 CO 0.47 -1.41 0.00 0.41 0.00 0.00 0.00 175.76 175.23 2jkv n GLY 78 N 0.01 0.06 0.29 0.00 0.00 -1.26 -4.74 105.19 99.55 2jkv n GLY 78 Ca 0.12 -1.81 0.02 0.00 0.00 0.00 0.00 46.02 44.35 2jkv n GLY 78 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2jkv h GLN 79 N 0.00 0.57 -0.87 1.61 5.75 -2.00 -2.43 115.11 117.73 2jkv h GLN 79 Ca 0.00 -0.07 0.17 0.00 -0.15 0.00 0.00 58.65 58.59 2jkv h GLN 79 Cb 0.00 -0.11 -0.10 0.00 1.07 0.00 0.00 27.48 28.34 2jkv h GLN 79 CO 0.00 0.48 0.44 0.00 -2.65 0.00 0.00 178.83 177.09 2jkv h ALA 80 N 1.61 1.34 -0.38 3.38 0.00 -1.85 0.29 119.26 123.64 2jkv h ALA 80 Ca 0.14 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2jkv h ALA 80 Cb 0.12 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2jkv h ALA 80 CO -0.01 -0.15 0.11 0.28 0.00 0.00 0.00 179.25 179.48 2jkv h VAL 81 N 0.58 1.22 -0.76 0.00 2.07 -1.64 -2.20 116.25 115.51 2jkv h VAL 81 Ca 0.49 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 2jkv h VAL 81 Cb 0.76 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 2jkv h VAL 81 CO -0.40 0.25 0.33 0.44 0.02 0.00 0.00 177.57 178.20 2jkv h ASP 82 N 0.47 1.01 -0.35 0.57 3.32 -1.19 -1.83 116.42 118.42 2jkv h ASP 82 Ca 0.12 -0.13 0.06 0.00 0.02 0.00 0.00 57.03 57.09 2jkv h ASP 82 Cb 0.27 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.51 2jkv h ASP 82 CO -0.00 0.88 0.04 0.44 -1.72 0.00 0.00 179.24 178.87 2jkv h ASP 83 N 1.09 -0.05 -0.42 6.45 3.32 -0.23 -0.80 116.42 125.78 2jkv h ASP 83 Ca 0.26 0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.27 2jkv h ASP 83 Cb 0.16 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2jkv h ASP 83 CO -0.03 0.01 -0.14 -0.26 -1.72 0.00 0.00 179.24 177.10 2jkv h PHE 84 N 0.15 0.95 -0.58 4.55 0.04 -1.19 -2.55 116.94 118.31 2jkv h PHE 84 Ca 0.17 -0.22 0.03 0.00 2.80 0.00 0.00 57.97 60.76 2jkv h PHE 84 Cb 0.21 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.10 2jkv h PHE 84 CO -0.21 0.97 0.35 0.82 -0.60 0.00 0.00 178.31 179.63 2jkv h ILE 85 N 0.65 1.05 -0.84 -0.55 2.04 -1.06 -0.04 117.51 118.76 2jkv h ILE 85 Ca 0.10 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 2jkv h ILE 85 Cb 0.68 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 2jkv h ILE 85 CO 0.05 0.12 0.47 -0.33 0.00 0.00 0.00 178.15 178.46 2jkv h GLU 86 N 0.68 1.17 -0.01 2.37 5.08 -0.99 -1.72 114.58 121.16 2jkv h GLU 86 Ca 0.24 -0.13 -0.16 0.00 -1.00 0.00 0.00 59.36 58.31 2jkv h GLU 86 Cb 0.04 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 2jkv h GLU 86 CO -0.11 0.85 -0.76 0.87 -1.00 0.00 0.00 179.01 178.86 2jkv h LYS 87 N 1.17 0.06 0.20 2.33 1.57 -1.04 -3.34 116.57 117.53 2jkv h LYS 87 Ca 0.30 -0.06 -0.32 0.00 -1.87 0.00 0.00 60.65 58.70 2jkv h LYS 87 Cb 0.02 0.01 0.03 0.00 0.08 0.00 0.00 32.23 32.37 2jkv h LYS 87 CO -0.05 0.79 -1.39 -0.07 -0.57 0.00 0.00 179.45 178.16 2jkv h LEU 88 N 0.04 0.80 -0.70 2.94 3.38 -0.60 -3.37 115.31 117.80 2jkv h LEU 88 Ca -0.01 -0.82 0.14 0.00 0.09 0.00 0.00 57.88 57.28 2jkv h LEU 88 Cb 1.33 -0.26 -0.10 0.00 0.09 0.00 0.00 40.66 41.73 2jkv h LEU 88 CO 0.10 1.64 0.20 0.58 0.09 0.00 0.00 178.44 181.05 2jkv h VAL 89 N 0.17 0.59 0.00 1.22 2.07 -1.45 0.25 116.25 119.10 2jkv h VAL 89 Ca -0.22 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2jkv h VAL 89 Cb 2.08 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 2jkv h VAL 89 CO 0.26 0.06 0.00 1.55 0.02 0.00 0.00 177.57 179.46 2jkv h PRO 90 N 0.31 0.00 0.00 1.57 0.13 -1.76 -2.65 132.00 129.60 2jkv h PRO 90 Ca 0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.52 2jkv h PRO 90 Cb 0.62 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.75 2jkv h PRO 90 CO -0.45 0.00 -0.61 1.28 -0.23 0.00 0.00 178.00 177.99 2jkv n LEU 91 N -2.58 0.57 -4.96 1.56 4.77 0.84 -4.97 117.00 112.23 2jkv n LEU 91 Ca 0.01 0.03 -0.20 0.00 -0.03 0.00 0.00 56.01 55.82 2jkv n LEU 91 Cb 0.21 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2jkv n LEU 91 CO 0.20 0.08 -0.00 -0.76 -1.33 0.00 0.00 177.39 175.58 2jkv s LEU 92 N -3.38 4.06 0.26 2.23 1.43 -0.96 -5.02 118.68 117.30 2jkv s LEU 92 Ca 0.09 -0.12 0.08 0.00 -1.03 0.00 0.00 54.13 53.14 2jkv s LEU 92 Cb 0.16 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 2jkv s LEU 92 CO 0.72 -0.27 0.14 -1.81 0.23 0.00 0.00 176.35 175.36 2jkv s ASP 93 N -4.06 5.22 0.17 2.29 1.01 -1.26 -5.01 116.67 115.02 2jkv s ASP 93 Ca 0.40 -0.37 -0.34 0.00 0.71 0.00 0.00 52.55 52.95 2jkv s ASP 93 Cb -0.09 -1.23 -0.14 0.00 1.01 0.00 0.00 42.92 42.47 2jkv s ASP 93 CO 0.30 -0.03 1.55 0.41 0.21 0.00 0.00 175.17 177.61 2jkv n THR 94 N -1.09 0.11 -0.00 -1.27 -1.04 -1.26 -1.54 114.28 108.17 2jkv n THR 94 Ca -0.07 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2jkv n THR 94 Cb 0.58 -1.50 0.00 0.00 -1.82 0.00 0.00 70.33 67.59 2jkv n THR 94 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jkv n GLY 95 N 3.23 0.20 3.76 3.41 0.00 0.41 -5.03 105.19 111.18 2jkv n GLY 95 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2jkv n GLY 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jkv s ASP 96 N -2.18 4.45 -0.09 1.61 1.11 -0.59 -4.70 116.67 116.29 2jkv s ASP 96 Ca 0.00 1.90 0.01 0.00 0.18 0.00 0.00 52.55 54.63 2jkv s ASP 96 Cb 0.00 -2.53 0.02 0.00 1.07 0.00 0.00 42.92 41.48 2jkv s ASP 96 CO 0.00 -2.07 -0.09 -0.63 1.18 0.00 0.00 175.17 173.56 2jkv s ILE 97 N -2.77 1.03 -0.13 0.77 1.01 0.88 -0.79 121.20 121.20 2jkv s ILE 97 Ca 0.63 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.93 2jkv s ILE 97 Cb -0.18 -1.01 -0.02 0.00 0.01 0.00 0.00 42.46 41.26 2jkv s ILE 97 CO 0.54 0.35 -0.10 -0.63 0.00 0.00 0.00 174.94 175.10 2jkv s ILE 98 N 1.30 3.32 -0.27 2.92 1.01 -0.29 -1.38 121.20 127.81 2jkv s ILE 98 Ca -0.03 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.08 2jkv s ILE 98 Cb -0.14 -2.41 0.07 0.00 0.01 0.00 0.00 42.46 39.99 2jkv s ILE 98 CO -0.04 0.52 -0.07 -0.63 0.00 0.00 0.00 174.94 174.73 2jkv s ILE 99 N 0.22 2.06 -0.47 2.92 1.01 0.36 -0.34 121.20 126.96 2jkv s ILE 99 Ca -0.07 -1.69 -0.25 0.00 0.00 0.00 0.00 60.65 58.65 2jkv s ILE 99 Cb -0.15 -2.26 0.03 0.00 0.01 0.00 0.00 42.46 40.09 2jkv s ILE 99 CO 0.04 -0.15 0.90 -0.62 0.00 0.00 0.00 174.94 175.12 2jkv s ASP 100 N 1.12 6.47 0.00 3.58 2.15 0.80 -0.80 116.67 129.99 2jkv s ASP 100 Ca -0.05 0.03 0.24 0.00 0.43 0.00 0.00 52.55 53.21 2jkv s ASP 100 Cb -0.20 -2.44 0.27 0.00 -0.30 0.00 0.00 42.92 40.26 2jkv s ASP 100 CO -0.06 -1.04 1.30 0.61 -0.17 0.00 0.00 175.17 175.81 2jkv n GLY 101 N 4.96 0.89 3.82 2.66 0.00 -0.04 -0.61 105.19 116.86 2jkv n GLY 101 Ca 0.05 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 2jkv n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jkv s GLY 102 N -2.01 1.67 -1.38 -0.02 0.00 -1.23 -4.08 107.32 100.28 2jkv s GLY 102 Ca 0.29 -0.95 -0.13 0.00 0.00 0.00 0.00 44.72 43.92 2jkv s GLY 102 CO 0.31 -0.22 2.05 0.70 0.00 0.00 0.00 173.10 175.94 2jkv n ASN 103 N -3.97 4.37 -4.86 1.64 3.02 -1.26 -4.78 115.26 109.42 2jkv n ASN 103 Ca 0.12 -2.93 -0.33 0.00 -0.03 0.00 0.00 54.58 51.41 2jkv n ASN 103 Cb 0.60 -1.61 -0.06 0.00 -0.61 0.00 0.00 39.78 38.10 2jkv n ASN 103 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2jkv s SER 104 N 2.58 6.71 0.26 6.41 0.01 -1.26 -4.69 113.70 123.72 2jkv s SER 104 Ca 0.45 0.99 -0.30 0.00 1.31 0.00 0.00 55.95 58.41 2jkv s SER 104 Cb 0.11 -2.25 -0.10 0.00 0.21 0.00 0.00 66.02 63.99 2jkv s SER 104 CO -0.04 -0.01 1.40 -0.70 0.41 0.00 0.00 173.24 174.29 2jkv s GLU 105 N -2.48 4.30 0.40 12.44 2.12 -1.26 -4.87 118.70 129.35 2jkv s GLU 105 Ca 0.44 2.26 0.12 0.00 0.36 0.00 0.00 54.97 58.14 2jkv s GLU 105 Cb -0.13 -3.11 0.93 0.00 0.26 0.00 0.00 34.13 32.09 2jkv s GLU 105 CO 0.20 -0.35 1.94 0.10 -0.54 0.00 0.00 175.26 176.61 2jkv h TYR 106 N 4.69 0.58 -0.66 5.30 -0.00 -1.85 -1.30 116.97 123.73 2jkv h TYR 106 Ca -0.47 0.02 -0.06 0.00 -0.00 0.00 0.00 58.73 58.22 2jkv h TYR 106 Cb 1.22 -0.19 -0.03 0.00 -0.00 0.00 0.00 36.73 37.73 2jkv h TYR 106 CO 0.59 0.26 0.19 0.00 -0.00 0.00 0.00 178.16 179.20 2jkv h ARG 107 N 0.54 1.01 -0.78 0.10 3.08 -1.91 0.50 114.38 116.92 2jkv h ARG 107 Ca 0.33 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 2jkv h ARG 107 Cb 0.58 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 2jkv h ARG 107 CO -0.11 0.88 0.37 -0.44 -1.07 0.00 0.00 179.97 179.60 2jkv h ASP 108 N 0.98 1.03 -0.37 7.04 3.32 -1.63 -1.92 116.42 124.86 2jkv h ASP 108 Ca 0.21 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 2jkv h ASP 108 Cb 0.30 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2jkv h ASP 108 CO -0.00 0.88 -0.09 0.74 -1.72 0.00 0.00 179.24 179.04 2jkv h THR 109 N 1.11 1.28 -0.37 0.35 2.02 -0.94 -0.85 112.91 115.51 2jkv h THR 109 Ca 0.27 -1.16 0.03 0.00 0.77 0.00 0.00 66.41 66.32 2jkv h THR 109 Cb 0.12 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 2jkv h THR 109 CO -0.03 0.38 0.17 0.74 0.37 0.00 0.00 175.52 177.15 2jkv h THR 110 N 0.51 0.95 0.14 3.16 2.02 -0.81 0.45 112.91 119.34 2jkv h THR 110 Ca 0.09 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 2jkv h THR 110 Cb 0.60 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2jkv h THR 110 CO 0.04 0.06 -0.11 -0.09 0.37 0.00 0.00 175.52 175.79 2jkv h ARG 111 N 0.35 -0.24 -0.96 6.66 2.43 -1.16 -1.80 114.38 119.65 2jkv h ARG 111 Ca 0.16 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2jkv h ARG 111 Cb 0.09 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 2jkv h ARG 111 CO -0.13 -0.16 0.60 0.00 -1.51 0.00 0.00 179.97 178.77 2jkv h ARG 112 N -0.25 1.29 -0.44 0.20 3.08 -0.98 -1.27 114.38 116.02 2jkv h ARG 112 Ca -0.01 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 2jkv h ARG 112 Cb 0.22 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 2jkv h ARG 112 CO -0.01 0.89 0.26 0.00 -1.07 0.00 0.00 179.97 180.04 2jkv h ARG 114 N 0.58 0.82 0.07 0.00 3.08 -1.06 -1.91 114.38 115.96 2jkv h ARG 114 Ca 0.16 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 2jkv h ARG 114 Cb 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2jkv h ARG 114 CO -0.03 1.02 -0.03 0.22 -1.07 0.00 0.00 179.97 180.08 2jkv h ASP 115 N 0.61 -0.08 -0.06 7.04 3.58 -1.06 -2.65 116.42 123.80 2jkv h ASP 115 Ca 0.07 -0.02 -0.14 0.00 0.42 0.00 0.00 57.03 57.37 2jkv h ASP 115 Cb 0.81 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.87 2jkv h ASP 115 CO 0.07 -0.04 -0.43 -0.07 -2.88 0.00 0.00 179.24 175.89 2jkv h LEU 116 N -0.11 0.64 -0.66 2.28 3.38 -1.24 -2.58 115.31 117.01 2jkv h LEU 116 Ca -0.01 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.73 2jkv h LEU 116 Cb 0.09 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 2jkv h LEU 116 CO 0.02 0.98 0.36 0.50 0.09 0.00 0.00 178.44 180.39 2jkv h LYS 117 N 0.48 0.64 -0.05 1.13 3.64 -1.22 0.12 116.57 121.30 2jkv h LYS 117 Ca 0.04 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2jkv h LYS 117 Cb 0.95 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2jkv h LYS 117 CO 0.09 0.42 0.06 0.00 -2.27 0.00 0.00 179.45 177.75 2jkv h ALA 118 N 1.35 1.63 -0.67 5.00 0.00 -1.09 -1.27 119.26 124.21 2jkv h ALA 118 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2jkv h ALA 118 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2jkv h ALA 118 CO -0.19 -0.09 0.00 1.63 0.00 0.00 0.00 179.25 180.60 2jkv n LYS 119 N -3.87 3.10 -0.96 0.00 5.02 0.21 -4.94 118.16 116.72 2jkv n LYS 119 Ca -0.02 -2.71 0.00 0.00 -2.02 0.00 0.00 58.31 53.57 2jkv n LYS 119 Cb 0.15 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 2jkv n LYS 119 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jkv n GLY 120 N 1.36 0.55 3.63 0.72 0.00 -0.48 -4.85 105.19 106.11 2jkv n GLY 120 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 2jkv n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jkv s ILE 121 N -2.13 4.50 -0.30 -0.61 1.01 -0.04 -0.44 121.20 123.18 2jkv s ILE 121 Ca 0.00 -0.15 -0.21 0.00 0.00 0.00 0.00 60.65 60.29 2jkv s ILE 121 Cb 0.00 -2.98 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 2jkv s ILE 121 CO 0.00 0.51 0.66 -0.76 0.00 0.00 0.00 174.94 175.35 2jkv s LEU 122 N -0.01 4.14 -0.18 2.97 1.43 0.03 -2.94 118.68 124.11 2jkv s LEU 122 Ca 0.04 0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 53.57 2jkv s LEU 122 Cb -0.13 -2.86 -0.03 0.00 0.03 0.00 0.00 46.19 43.21 2jkv s LEU 122 CO 0.02 -0.50 -0.01 0.12 0.23 0.00 0.00 176.35 176.21 2jkv s PHE 123 N 2.66 3.05 -0.13 0.29 5.36 -1.26 -1.14 117.98 126.81 2jkv s PHE 123 Ca 0.26 -0.33 0.02 0.00 -0.96 0.00 0.00 56.93 55.92 2jkv s PHE 123 Cb -0.15 -2.03 -0.00 0.00 -0.34 0.00 0.00 43.02 40.50 2jkv s PHE 123 CO 0.12 -0.11 -0.18 0.08 -1.46 0.00 0.00 175.22 173.67 2jkv s VAL 124 N 0.65 2.45 -0.25 3.12 1.01 0.54 -0.85 120.40 127.07 2jkv s VAL 124 Ca -0.01 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 61.05 2jkv s VAL 124 Cb -0.14 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 2jkv s VAL 124 CO 0.02 0.53 0.05 -0.83 0.00 0.00 0.00 175.10 174.87 2jkv s GLY 125 N 0.63 1.73 -0.07 4.51 0.00 0.55 -0.14 107.32 114.53 2jkv s GLY 125 Ca -0.10 -1.21 0.02 0.00 0.00 0.00 0.00 44.72 43.44 2jkv s GLY 125 CO 0.03 0.54 -0.13 -0.45 0.00 0.00 0.00 173.10 173.08 2jkv s SER 126 N 1.56 1.90 0.39 1.64 0.15 0.22 -1.20 113.70 118.35 2jkv s SER 126 Ca 0.05 -0.32 -0.24 0.00 0.70 0.00 0.00 55.95 56.14 2jkv s SER 126 Cb -0.15 -0.87 -0.09 0.00 -1.71 0.00 0.00 66.02 63.20 2jkv s SER 126 CO 0.02 0.05 1.04 -0.83 1.20 0.00 0.00 173.24 174.72 2jkv s GLY 127 N 0.61 2.74 -0.08 9.45 0.00 -0.42 -4.02 107.32 115.60 2jkv s GLY 127 Ca -0.15 0.69 0.02 0.00 0.00 0.00 0.00 44.72 45.28 2jkv s GLY 127 CO 0.04 1.12 -0.12 0.14 0.00 0.00 0.00 173.10 174.28 2jkv s VAL 128 N -1.65 1.21 0.27 1.40 1.01 -1.26 -0.96 120.40 120.43 2jkv s VAL 128 Ca 0.57 -0.49 0.11 0.00 0.00 0.00 0.00 61.98 62.17 2jkv s VAL 128 Cb -0.22 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 2jkv s VAL 128 CO 0.27 0.38 -0.16 -0.55 0.00 0.00 0.00 175.10 175.04 2jkv s SER 129 N 0.92 3.80 0.00 3.32 0.15 -0.42 -4.83 113.70 116.63 2jkv s SER 129 Ca -0.09 -0.94 0.00 0.00 0.70 0.00 0.00 55.95 55.61 2jkv s SER 129 Cb -0.15 -0.42 0.00 0.00 -1.71 0.00 0.00 66.02 63.74 2jkv s SER 129 CO 0.00 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.09 2jkv n GLY 130 N -0.66 1.20 7.00 9.45 0.00 -1.11 -2.85 105.19 118.22 2jkv n GLY 130 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2jkv n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jkv n GLY 131 N -0.16 0.98 0.12 -0.02 0.00 -1.26 -1.13 105.19 103.72 2jkv n GLY 131 Ca 0.00 -0.67 -0.07 0.00 0.00 0.00 0.00 46.02 45.28 2jkv n GLY 131 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jkv h GLU 132 N 0.00 0.06 -0.38 1.61 4.81 -1.97 -0.54 114.58 118.17 2jkv h GLU 132 Ca 0.00 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 2jkv h GLU 132 Cb 0.00 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2jkv h GLU 132 CO 0.00 0.04 0.02 1.49 -0.73 0.00 0.00 179.01 179.84 2jkv h GLU 133 N 0.07 0.65 -0.26 1.92 4.57 -1.98 -1.06 114.58 118.49 2jkv h GLU 133 Ca 0.12 -0.20 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 2jkv h GLU 133 Cb 0.17 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 2jkv h GLU 133 CO -0.22 0.74 0.10 0.78 -1.18 0.00 0.00 179.01 179.23 2jkv h GLY 134 N 0.48 0.43 1.17 1.92 0.00 -0.95 -1.02 103.07 105.10 2jkv h GLY 134 Ca 0.11 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.22 2jkv h GLY 134 CO 0.01 0.22 0.56 0.00 0.00 0.00 0.00 176.54 177.33 2jkv h ALA 135 N 0.95 1.40 -0.26 3.60 0.00 -0.95 0.27 119.26 124.27 2jkv h ALA 135 Ca 0.09 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 2jkv h ALA 135 Cb 0.18 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2jkv h ALA 135 CO -0.01 0.55 -0.38 -0.09 0.00 0.00 0.00 179.25 179.32 2jkv h ARG 136 N 1.14 0.71 0.00 0.00 9.65 -0.86 -3.30 114.38 121.72 2jkv h ARG 136 Ca 0.31 -0.42 -0.01 0.00 -1.10 0.00 0.00 59.98 58.75 2jkv h ARG 136 Cb -0.13 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.49 2jkv h ARG 136 CO -0.07 1.05 -1.17 0.66 2.80 0.00 0.00 179.97 183.24 2jkv n TYR 137 N -4.20 0.00 0.00 2.20 4.01 -0.42 -4.05 117.16 114.70 2jkv n TYR 137 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 2jkv n TYR 137 Cb 0.53 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 2jkv n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jkv n GLY 138 N 2.42 -0.30 3.94 2.72 0.00 0.76 -4.79 105.19 109.93 2jkv n GLY 138 Ca -0.02 0.72 -0.24 0.00 0.00 0.00 0.00 46.02 46.49 2jkv n GLY 138 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jkv s PRO 139 N 0.00 3.33 0.01 1.61 0.04 -0.14 -3.65 135.00 136.20 2jkv s PRO 139 Ca 0.00 -0.32 -0.30 0.00 0.04 0.00 0.00 61.00 60.42 2jkv s PRO 139 Cb 0.00 -2.58 -0.03 0.00 0.04 0.00 0.00 34.50 31.92 2jkv s PRO 139 CO 0.00 -0.06 1.00 0.45 0.04 0.00 0.00 177.00 178.42 2jkv s SER 140 N -4.12 7.36 -0.10 6.66 0.15 -0.55 -1.39 113.70 121.72 2jkv s SER 140 Ca 0.44 1.70 0.03 0.00 0.70 0.00 0.00 55.95 58.82 2jkv s SER 140 Cb -0.10 -2.57 -0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2jkv s SER 140 CO 0.38 -0.26 -0.22 -0.76 1.20 0.00 0.00 173.24 173.58 2jkv s LEU 141 N 0.94 2.21 -0.68 3.45 1.43 -0.78 -1.30 118.68 123.95 2jkv s LEU 141 Ca 0.52 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 53.16 2jkv s LEU 141 Cb -0.22 -1.45 0.18 0.00 0.03 0.00 0.00 46.19 44.74 2jkv s LEU 141 CO 0.28 0.17 0.52 0.23 0.23 0.00 0.00 176.35 177.78 2jkv n MET 142 N 3.47 1.83 -2.58 1.70 2.81 -0.13 -4.00 117.12 120.22 2jkv n MET 142 Ca -0.19 -4.43 -0.42 0.00 -1.81 0.00 0.00 57.70 50.85 2jkv n MET 142 Cb 0.53 -2.24 -0.03 0.00 -0.71 0.00 0.00 33.22 30.77 2jkv n MET 142 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 2jkv s PRO 143 N -1.52 4.50 0.29 0.03 0.02 -1.26 -1.30 135.00 135.75 2jkv s PRO 143 Ca 0.27 1.58 -0.01 0.00 0.02 0.00 0.00 61.00 62.87 2jkv s PRO 143 Cb -0.01 -3.41 -0.02 0.00 0.02 0.00 0.00 34.50 31.09 2jkv s PRO 143 CO -0.15 -0.14 0.33 0.20 -0.33 0.00 0.00 177.00 176.91 2jkv s GLY 144 N 1.02 1.54 0.00 0.52 0.00 -0.34 -0.25 107.32 109.81 2jkv s GLY 144 Ca 0.55 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.66 2jkv s GLY 144 CO 0.29 -1.17 0.00 0.61 0.00 0.00 0.00 173.10 172.82 2jkv n GLY 145 N -0.47 0.26 3.45 0.20 0.00 -0.44 -0.33 105.19 107.86 2jkv n GLY 145 Ca 0.02 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 2jkv n GLY 145 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jkv s ASN 146 N -4.00 6.21 0.19 1.61 3.84 -0.03 -2.08 114.94 120.68 2jkv s ASN 146 Ca 0.00 -0.93 0.13 0.00 0.21 0.00 0.00 52.86 52.26 2jkv s ASN 146 Cb 0.00 -2.39 0.70 0.00 -0.55 0.00 0.00 41.25 39.01 2jkv s ASN 146 CO 0.00 -1.30 1.40 1.17 -2.79 0.00 0.00 177.10 175.58 2jkv n LYS 147 N 7.30 0.08 0.28 0.43 4.81 -1.26 -1.15 118.16 128.66 2jkv n LYS 147 Ca -0.04 0.58 0.19 0.00 -0.87 0.00 0.00 58.31 58.17 2jkv n LYS 147 Cb 0.45 -1.77 0.90 0.00 0.02 0.00 0.00 35.03 34.63 2jkv n LYS 147 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2jkv h GLU 148 N 0.00 0.00 0.00 1.64 4.81 -1.97 -1.69 114.58 117.38 2jkv h GLU 148 Ca 0.00 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 2jkv h GLU 148 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2jkv h GLU 148 CO 0.00 0.00 -0.95 0.00 -0.73 0.00 0.00 179.01 177.33 2jkv h ALA 149 N 2.02 0.61 -0.43 2.92 0.00 -1.52 -3.40 119.26 119.47 2jkv h ALA 149 Ca 0.00 -0.73 0.08 0.00 0.00 0.00 0.00 54.91 54.27 2jkv h ALA 149 Cb 0.23 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 2jkv h ALA 149 CO 0.00 0.90 -0.08 2.35 0.00 0.00 0.00 179.25 182.42 2jkv h TRP 150 N 0.00 -0.17 -0.31 0.00 -0.00 -1.46 0.11 115.95 114.11 2jkv h TRP 150 Ca -0.07 0.04 0.09 0.00 -0.00 0.00 0.00 58.89 58.95 2jkv h TRP 150 Cb 1.56 0.14 -0.01 0.00 -0.00 0.00 0.00 29.16 30.85 2jkv h TRP 150 CO 0.00 -0.16 0.24 -1.35 -0.00 0.00 0.00 178.44 177.17 2jkv h PRO 151 N 0.03 0.00 -0.00 2.65 0.11 -1.77 0.14 132.00 133.15 2jkv h PRO 151 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 2jkv h PRO 151 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 2jkv h PRO 151 CO -0.42 0.00 -0.33 0.72 -0.21 0.00 0.00 178.00 177.76 2jkv n HIS 152 N -4.26 0.00 0.00 0.65 8.25 0.00 -4.10 115.22 115.76 2jkv n HIS 152 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2jkv n HIS 152 Cb 0.41 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.30 2jkv n HIS 152 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2jkv n ILE 153 N -1.14 0.00 -0.26 1.59 -5.35 -0.58 -4.80 119.36 108.83 2jkv n ILE 153 Ca 0.09 -0.41 0.03 0.00 -0.27 0.00 0.00 62.75 62.19 2jkv n ILE 153 Cb 0.33 0.99 0.15 0.00 -1.74 0.00 0.00 39.64 39.38 2jkv n ILE 153 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2jkv h LYS 154 N 0.00 0.59 -0.14 6.28 3.64 -0.92 0.13 116.57 126.14 2jkv h LYS 154 Ca 0.00 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2jkv h LYS 154 Cb 0.00 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 2jkv h LYS 154 CO 0.00 0.39 0.02 1.15 -2.27 0.00 0.00 179.45 178.74 2jkv h THR 155 N 0.61 1.23 -0.07 1.00 2.02 -1.85 0.28 112.91 116.13 2jkv h THR 155 Ca 0.37 -0.72 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 2jkv h THR 155 Cb 0.42 1.44 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2jkv h THR 155 CO -0.29 0.21 0.01 0.40 0.37 0.00 0.00 175.52 176.23 2jkv h ILE 156 N 0.01 1.20 0.25 3.11 2.04 -1.84 -0.88 117.51 121.40 2jkv h ILE 156 Ca 0.04 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 2jkv h ILE 156 Cb 0.31 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2jkv h ILE 156 CO 0.00 0.17 -0.14 -0.26 0.00 0.00 0.00 178.15 177.93 2jkv h PHE 157 N -0.13 -0.37 0.00 1.37 -1.00 -0.89 -0.76 116.94 115.17 2jkv h PHE 157 Ca 0.02 -0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.76 2jkv h PHE 157 Cb 0.26 0.13 -0.00 0.00 3.61 0.00 0.00 35.95 39.95 2jkv h PHE 157 CO 0.01 -0.22 -0.16 1.96 -1.61 0.00 0.00 178.31 178.29 2jkv h GLN 158 N -0.37 0.00 -0.42 1.51 4.20 -1.04 -2.33 115.11 116.66 2jkv h GLN 158 Ca -0.03 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 2jkv h GLN 158 Cb 0.30 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 2jkv h GLN 158 CO 0.04 0.16 0.06 0.78 -0.67 0.00 0.00 178.83 179.19 2jkv h GLY 159 N 2.12 0.76 0.56 3.46 0.00 -0.19 -3.19 103.07 106.59 2jkv h GLY 159 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.81 2jkv h GLY 159 CO 0.02 0.48 -0.63 0.29 0.00 0.00 0.00 176.54 176.70 2jkv n ILE 160 N -4.49 0.00 -2.11 2.60 -5.35 -0.38 -4.96 119.36 104.68 2jkv n ILE 160 Ca -0.00 -0.02 -0.34 0.00 -0.27 0.00 0.00 62.75 62.12 2jkv n ILE 160 Cb 0.25 0.53 0.01 0.00 -1.74 0.00 0.00 39.64 38.68 2jkv n ILE 160 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jkv s ALA 161 N -2.94 2.67 0.24 -1.28 0.00 -0.89 -3.90 121.76 115.65 2jkv s ALA 161 Ca 0.11 0.61 -0.30 0.00 0.00 0.00 0.00 51.96 52.39 2jkv s ALA 161 Cb 0.17 -3.30 -0.15 0.00 0.00 0.00 0.00 23.12 19.84 2jkv s ALA 161 CO 0.73 -0.86 1.09 0.00 0.00 0.00 0.00 175.76 176.73 2jkv n ALA 162 N -1.74 -0.40 -2.66 0.00 0.00 -0.48 -4.68 120.51 110.56 2jkv n ALA 162 Ca 0.10 0.42 -0.34 0.00 0.00 0.00 0.00 53.44 53.62 2jkv n ALA 162 Cb 0.52 -2.03 -0.10 0.00 0.00 0.00 0.00 19.45 17.84 2jkv n ALA 162 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2jkv s LYS 163 N -0.96 2.87 0.23 0.00 -0.14 -1.26 -0.32 119.74 120.16 2jkv s LYS 163 Ca 0.65 -0.49 0.10 0.00 -1.36 0.00 0.00 55.97 54.88 2jkv s LYS 163 Cb -0.76 -2.71 -0.05 0.00 -1.68 0.00 0.00 37.83 32.63 2jkv s LYS 163 CO 0.56 0.67 -0.13 0.14 -0.76 0.00 0.00 175.35 175.83 2jkv s VAL 164 N -0.91 2.88 0.00 3.17 -7.23 -0.65 -4.90 120.40 112.75 2jkv s VAL 164 Ca 0.15 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 2jkv s VAL 164 Cb -0.11 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.35 2jkv s VAL 164 CO 0.04 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.18 2jkv n GLY 165 N -0.34 0.41 0.00 2.32 0.00 -1.26 0.97 105.19 107.29 2jkv n GLY 165 Ca -0.08 0.43 0.09 0.00 0.00 0.00 0.00 46.02 46.46 2jkv n GLY 165 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jkv n THR 166 N 0.00 0.00 -0.19 2.61 -2.24 -1.26 -4.82 114.28 108.39 2jkv n THR 166 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2jkv n THR 166 Cb 0.00 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 2jkv n THR 166 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jkv n GLY 167 N 0.38 0.91 3.72 3.38 0.00 0.27 -5.07 105.19 108.79 2jkv n GLY 167 Ca 0.14 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2jkv n GLY 167 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jkv s GLU 168 N -0.80 4.43 0.24 1.61 2.02 -1.10 -4.68 118.70 120.42 2jkv s GLU 168 Ca 0.00 1.90 -0.30 0.00 0.02 0.00 0.00 54.97 56.59 2jkv s GLU 168 Cb 0.00 -3.27 -0.09 0.00 0.10 0.00 0.00 34.13 30.87 2jkv s GLU 168 CO 0.00 -0.23 1.11 -2.14 0.02 0.00 0.00 175.26 174.01 2jkv s PRO 169 N 0.48 4.62 -1.38 0.39 0.02 -1.26 -1.64 135.00 136.22 2jkv s PRO 169 Ca 0.58 1.78 -0.10 0.00 0.02 0.00 0.00 61.00 63.28 2jkv s PRO 169 Cb -0.33 -3.22 0.09 0.00 0.02 0.00 0.00 34.50 31.07 2jkv s PRO 169 CO 0.33 0.15 2.21 0.00 -0.33 0.00 0.00 177.00 179.36 2jkv s ASP 172 N 2.60 0.12 0.07 0.00 -1.08 -1.26 -4.83 116.67 112.30 2jkv s ASP 172 Ca -0.00 -0.70 -0.31 0.00 -0.52 0.00 0.00 52.55 51.02 2jkv s ASP 172 Cb -0.07 0.35 -0.08 0.00 -1.46 0.00 0.00 42.92 41.66 2jkv s ASP 172 CO -0.15 -0.75 1.64 0.86 0.52 0.00 0.00 175.17 177.29 2jkv s TRP 173 N -3.88 2.46 -0.15 -5.34 -0.11 -1.26 -4.15 118.94 106.51 2jkv s TRP 173 Ca 0.07 0.34 -0.25 0.00 1.22 0.00 0.00 56.10 57.48 2jkv s TRP 173 Cb 0.05 -3.96 -0.25 0.00 -1.50 0.00 0.00 33.47 27.81 2jkv s TRP 173 CO -0.09 -3.82 0.61 0.28 -4.62 0.00 0.00 176.95 169.31 2jkv h VAL 174 N 4.77 1.45 0.00 5.86 2.07 -0.96 -3.49 116.25 125.95 2jkv h VAL 174 Ca -0.43 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 64.77 2jkv h VAL 174 Cb 1.20 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 33.96 2jkv h VAL 174 CO 0.93 0.55 0.00 0.61 0.02 0.00 0.00 177.57 179.68 2jkv n GLY 175 N 1.58 -1.35 3.80 2.17 0.00 -1.26 -4.66 105.19 105.48 2jkv n GLY 175 Ca -0.18 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.29 2jkv n GLY 175 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jkv s ASP 176 N -4.00 6.23 0.73 1.61 2.15 -1.26 -1.32 116.67 120.80 2jkv s ASP 176 Ca 0.00 1.85 0.00 0.00 0.43 0.00 0.00 52.55 54.83 2jkv s ASP 176 Cb 0.00 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 2jkv s ASP 176 CO 0.00 -0.86 0.00 -0.62 -0.17 0.00 0.00 175.17 173.52 2jkv n GLU 177 N -1.32 0.00 0.00 4.34 1.02 -0.88 -1.53 120.64 122.26 2jkv n GLU 177 Ca 0.09 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.30 2jkv n GLU 177 Cb 0.53 0.00 0.42 0.00 -0.02 0.00 0.00 31.44 32.37 2jkv n GLU 177 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jkv n GLY 178 N 0.00 -0.86 0.29 0.62 0.00 -1.26 -1.73 105.19 102.26 2jkv n GLY 178 Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 45.97 2jkv n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jkv h ALA 179 N 3.24 1.15 -0.22 4.61 0.00 -1.52 -0.65 119.26 125.86 2jkv h ALA 179 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2jkv h ALA 179 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2jkv h ALA 179 CO 0.00 -0.04 0.14 0.78 0.00 0.00 0.00 179.25 180.14 2jkv h GLY 180 N 0.65 0.31 2.00 0.00 0.00 -1.75 -1.19 103.07 103.08 2jkv h GLY 180 Ca 0.41 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.55 2jkv h GLY 180 CO -0.31 0.11 -0.34 0.45 0.00 0.00 0.00 176.54 176.46 2jkv h HIS 181 N 0.29 0.00 -0.00 5.60 3.86 -1.58 -1.55 115.15 121.77 2jkv h HIS 181 Ca 0.08 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2jkv h HIS 181 Cb -0.02 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.44 2jkv h HIS 181 CO -0.06 0.34 -0.00 0.35 0.86 0.00 0.00 177.93 179.41 2jkv h PHE 182 N 0.00 0.01 -0.77 2.45 3.04 -0.69 0.63 116.94 121.61 2jkv h PHE 182 Ca -0.00 -0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.04 2jkv h PHE 182 Cb 0.82 -0.00 -0.07 0.00 2.56 0.00 0.00 35.95 39.25 2jkv h PHE 182 CO 0.00 0.46 0.41 0.28 -2.02 0.00 0.00 178.31 177.43 2jkv h VAL 183 N -0.44 0.86 -0.69 1.41 2.07 -1.11 -0.34 116.25 118.01 2jkv h VAL 183 Ca 0.00 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 2jkv h VAL 183 Cb 0.45 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 2jkv h VAL 183 CO 0.00 0.12 0.15 0.50 0.02 0.00 0.00 177.57 178.36 2jkv h LYS 184 N 0.68 1.11 -0.06 1.57 1.63 -1.14 0.25 116.57 120.60 2jkv h LYS 184 Ca 0.38 -0.27 0.03 0.00 -0.85 0.00 0.00 60.65 59.94 2jkv h LYS 184 Cb 0.40 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.85 2jkv h LYS 184 CO -0.27 0.99 -0.13 1.98 -3.45 0.00 0.00 179.45 178.57 2jkv h MET 185 N 1.05 -0.18 -1.00 1.90 4.05 0.25 -1.57 114.93 119.42 2jkv h MET 185 Ca 0.21 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.67 2jkv h MET 185 Cb 0.39 0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.18 2jkv h MET 185 CO 0.01 -0.12 0.66 0.28 0.23 0.00 0.00 176.91 177.96 2jkv h VAL 186 N -0.19 1.21 -0.70 -5.77 2.07 -0.83 -0.78 116.25 111.26 2jkv h VAL 186 Ca 0.07 -0.45 0.13 0.00 0.82 0.00 0.00 66.70 67.27 2jkv h VAL 186 Cb 0.28 -0.21 -0.09 0.00 -1.52 0.00 0.00 31.29 29.75 2jkv h VAL 186 CO -0.17 0.24 0.25 -0.74 0.02 0.00 0.00 177.57 177.17 2jkv h HIS 187 N 1.31 0.43 0.00 1.57 6.17 -0.43 -1.01 115.15 123.18 2jkv h HIS 187 Ca 0.38 0.04 -0.13 0.00 0.71 0.00 0.00 60.37 61.37 2jkv h HIS 187 Cb -0.07 -0.08 -0.02 0.00 2.52 0.00 0.00 27.41 29.76 2jkv h HIS 187 CO -0.00 0.05 -0.63 -0.91 0.71 0.00 0.00 177.93 177.15 2jkv h ASN 188 N 0.40 0.00 0.11 3.26 4.21 -0.23 -1.53 115.58 121.80 2jkv h ASN 188 Ca 0.38 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.88 2jkv h ASN 188 Cb 0.55 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.76 2jkv h ASN 188 CO -0.39 0.63 -0.05 1.23 -1.29 0.00 0.00 177.43 177.56 2jkv h GLY 189 N 2.08 -0.15 0.84 2.83 0.00 -0.18 0.86 103.07 109.34 2jkv h GLY 189 Ca -0.01 0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.41 2jkv h GLY 189 CO 0.08 -0.05 0.42 -2.22 0.00 0.00 0.00 176.54 174.77 2jkv h ILE 190 N -0.20 1.07 0.06 2.60 2.04 -1.14 -2.08 117.51 119.86 2jkv h ILE 190 Ca -0.01 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.58 2jkv h ILE 190 Cb 0.16 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 2jkv h ILE 190 CO 0.02 0.15 -0.13 -0.08 0.00 0.00 0.00 178.15 178.11 2jkv h GLU 191 N 0.81 -0.24 -0.81 2.37 4.81 -0.95 -0.42 114.58 120.15 2jkv h GLU 191 Ca 0.28 0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.69 2jkv h GLU 191 Cb 0.05 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 29.38 2jkv h GLU 191 CO -0.12 -0.16 0.34 1.88 -0.73 0.00 0.00 179.01 180.21 2jkv h TYR 192 N -0.25 0.57 -0.03 0.92 -1.99 -0.62 -0.37 116.97 115.20 2jkv h TYR 192 Ca 0.03 0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.79 2jkv h TYR 192 Cb 0.28 -0.13 -0.00 0.00 2.00 0.00 0.00 36.73 38.88 2jkv h TYR 192 CO -0.16 0.04 -0.00 0.78 -0.00 0.00 0.00 178.16 178.81 2jkv h GLY 193 N 0.44 0.05 0.67 3.88 0.00 -0.86 -2.16 103.07 105.10 2jkv h GLY 193 Ca 0.46 -0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.81 2jkv h GLY 193 CO -0.45 0.04 0.30 -0.55 0.00 0.00 0.00 176.54 175.88 2jkv h ASP 194 N -0.27 0.43 -0.69 0.19 3.32 -0.70 -1.08 116.42 117.62 2jkv h ASP 194 Ca 0.01 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2jkv h ASP 194 Cb 0.34 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 2jkv h ASP 194 CO 0.00 0.28 0.38 0.24 -1.72 0.00 0.00 179.24 178.43 2jkv h MET 195 N 0.57 0.96 -0.35 3.56 2.86 -1.02 -0.80 114.93 120.71 2jkv h MET 195 Ca 0.26 -0.11 -0.09 0.00 -2.06 0.00 0.00 59.70 57.71 2jkv h MET 195 Cb 0.18 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2jkv h MET 195 CO -0.18 0.72 -0.12 0.37 1.06 0.00 0.00 176.91 178.76 2jkv h GLN 196 N 0.94 0.70 -0.70 1.72 5.75 -1.04 -1.29 115.11 121.20 2jkv h GLN 196 Ca 0.24 -0.28 0.02 0.00 -0.15 0.00 0.00 58.65 58.48 2jkv h GLN 196 Cb 0.03 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 2jkv h GLN 196 CO -0.04 0.88 0.45 -0.07 -2.65 0.00 0.00 178.83 177.39 2jkv h LEU 197 N 0.49 0.75 -0.76 -2.39 3.38 -1.07 -1.25 115.31 114.46 2jkv h LEU 197 Ca 0.09 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.09 2jkv h LEU 197 Cb 0.64 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 2jkv h LEU 197 CO 0.04 0.53 0.47 0.40 0.09 0.00 0.00 178.44 179.97 2jkv h ILE 198 N 0.89 1.06 -0.69 1.22 2.04 -0.88 -1.39 117.51 119.76 2jkv h ILE 198 Ca 0.27 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 2jkv h ILE 198 Cb -0.03 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.11 2jkv h ILE 198 CO -0.09 0.16 0.41 0.00 0.00 0.00 0.00 178.15 178.64 2jkv h GLU 200 N 0.96 0.78 -0.23 0.00 5.08 -0.47 0.37 114.58 121.07 2jkv h GLU 200 Ca 0.25 -0.49 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2jkv h GLU 200 Cb -0.03 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2jkv h GLU 200 CO -0.05 1.12 0.11 0.00 -1.00 0.00 0.00 179.01 179.20 2jkv h ALA 201 N 0.78 0.27 -0.74 3.43 0.00 -1.00 -0.68 119.26 121.31 2jkv h ALA 201 Ca 0.01 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2jkv h ALA 201 Cb 1.14 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 2jkv h ALA 201 CO 0.12 -0.30 0.48 -0.92 0.00 0.00 0.00 179.25 178.63 2jkv h TYR 202 N 0.24 0.91 -0.63 0.00 3.20 -1.00 0.10 116.97 119.78 2jkv h TYR 202 Ca 0.09 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 2jkv h TYR 202 Cb 0.02 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 37.96 2jkv h TYR 202 CO -0.09 0.55 0.28 1.25 -1.64 0.00 0.00 178.16 178.51 2jkv h HIS 203 N 0.97 0.94 -0.55 -3.82 2.76 -0.41 0.24 115.15 115.28 2jkv h HIS 203 Ca 0.28 -0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.37 2jkv h HIS 203 Cb -0.06 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 28.59 2jkv h HIS 203 CO -0.03 0.72 0.26 -0.07 -1.30 0.00 0.00 177.93 177.52 2jkv h LEU 204 N 0.88 0.72 -0.67 0.26 3.38 -0.68 0.34 115.31 119.54 2jkv h LEU 204 Ca 0.22 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2jkv h LEU 204 Cb 0.16 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2jkv h LEU 204 CO -0.02 0.65 0.43 0.24 0.09 0.00 0.00 178.44 179.83 2jkv h MET 205 N 0.74 0.90 -0.09 1.13 2.86 -0.51 -0.63 114.93 119.34 2jkv h MET 205 Ca 0.19 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.68 2jkv h MET 205 Cb 0.12 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.59 2jkv h MET 205 CO -0.02 0.62 -0.27 -0.22 1.06 0.00 0.00 176.91 178.08 2jkv h LYS 206 N 0.91 0.34 0.00 1.72 3.64 -0.76 -1.74 116.57 120.69 2jkv h LYS 206 Ca 0.24 -0.25 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2jkv h LYS 206 Cb -0.07 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2jkv h LYS 206 CO -0.05 0.87 -1.84 -0.25 -2.27 0.00 0.00 179.45 175.91 2jkv n ASP 207 N -4.46 0.97 -0.11 4.20 9.92 0.09 -2.68 116.55 124.47 2jkv n ASP 207 Ca -0.08 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 53.94 2jkv n ASP 207 Cb 0.46 1.72 -0.11 0.00 -0.64 0.00 0.00 41.12 42.55 2jkv n ASP 207 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2jkv n VAL 208 N -2.16 1.56 1.08 2.53 0.31 -0.29 -4.51 118.33 116.85 2jkv n VAL 208 Ca -0.06 -0.35 0.12 0.00 -0.01 0.00 0.00 64.34 64.05 2jkv n VAL 208 Cb 0.52 -1.83 0.28 0.00 -0.91 0.00 0.00 33.84 31.89 2jkv n VAL 208 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2jkv n LEU 209 N -4.05 0.69 -3.05 7.52 4.77 -0.95 -4.74 117.00 117.20 2jkv n LEU 209 Ca -0.44 -0.10 -0.22 0.00 -0.03 0.00 0.00 56.01 55.21 2jkv n LEU 209 Cb 0.87 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.78 2jkv n LEU 209 CO 0.16 0.15 -0.04 0.61 -1.33 0.00 0.00 177.39 176.95 2jkv n GLY 210 N 1.45 -0.51 3.80 -0.72 0.00 -0.97 -4.96 105.19 103.27 2jkv n GLY 210 Ca 0.08 0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 2jkv n GLY 210 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jkv s MET 211 N -5.71 3.93 0.62 1.61 -1.94 -0.69 -5.00 119.30 112.12 2jkv s MET 211 Ca 0.30 1.30 -0.12 0.00 -1.71 0.00 0.00 55.69 55.46 2jkv s MET 211 Cb -0.14 -2.13 -0.04 0.00 2.01 0.00 0.00 34.83 34.54 2jkv s MET 211 CO 0.36 -0.31 1.03 0.00 -0.01 0.00 0.00 175.02 176.09 2jkv s ALA 212 N -2.03 3.02 0.16 3.03 0.00 -1.26 -4.68 121.76 119.99 2jkv s ALA 212 Ca 0.66 -0.02 -0.22 0.00 0.00 0.00 0.00 51.96 52.37 2jkv s ALA 212 Cb -0.14 -3.10 0.05 0.00 0.00 0.00 0.00 23.12 19.92 2jkv s ALA 212 CO 0.18 -0.74 1.61 1.96 0.00 0.00 0.00 175.76 178.77 2jkv h GLN 213 N -0.26 -0.23 -0.04 0.00 1.08 -1.97 -0.58 115.11 113.11 2jkv h GLN 213 Ca -0.44 0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 56.67 2jkv h GLN 213 Cb 1.19 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.66 2jkv h GLN 213 CO 0.61 -0.16 -0.44 -0.44 -0.95 0.00 0.00 178.83 177.45 2jkv h ASP 214 N -0.24 0.10 -0.55 1.46 3.32 -1.94 -0.63 116.42 117.93 2jkv h ASP 214 Ca 0.16 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 2jkv h ASP 214 Cb 0.50 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2jkv h ASP 214 CO -0.47 0.53 0.16 -0.08 -1.72 0.00 0.00 179.24 177.66 2jkv h GLU 215 N 0.08 0.87 -0.40 3.56 4.81 -1.78 -0.97 114.58 120.74 2jkv h GLU 215 Ca 0.00 -0.20 -0.14 0.00 -0.13 0.00 0.00 59.36 58.90 2jkv h GLU 215 Cb 0.81 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 2jkv h GLU 215 CO 0.06 0.80 -0.30 0.52 -0.73 0.00 0.00 179.01 179.36 2jkv h MET 216 N 0.77 0.90 -0.55 1.92 2.86 -0.62 -1.61 114.93 118.61 2jkv h MET 216 Ca 0.18 -0.44 0.11 0.00 -2.06 0.00 0.00 59.70 57.48 2jkv h MET 216 Cb 0.30 -0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.87 2jkv h MET 216 CO -0.00 1.09 0.00 0.00 1.06 0.00 0.00 176.91 179.06 2jkv h ALA 217 N 0.79 0.53 -0.85 6.32 0.00 -0.96 -1.68 119.26 123.41 2jkv h ALA 217 Ca 0.08 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2jkv h ALA 217 Cb 0.88 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2jkv h ALA 217 CO 0.08 -0.39 0.44 1.96 0.00 0.00 0.00 179.25 181.34 2jkv h GLN 218 N 0.12 1.21 -0.17 0.00 4.20 -0.87 -0.73 115.11 118.86 2jkv h GLN 218 Ca 0.28 -0.16 0.02 0.00 0.06 0.00 0.00 58.65 58.85 2jkv h GLN 218 Cb 0.44 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 2jkv h GLN 218 CO -0.46 0.91 0.06 0.00 -0.67 0.00 0.00 178.83 178.66 2jkv h ALA 219 N 1.23 0.18 -0.58 3.87 0.00 -0.47 0.06 119.26 123.56 2jkv h ALA 219 Ca 0.30 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2jkv h ALA 219 Cb 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2jkv h ALA 219 CO -0.04 -0.38 0.34 0.74 0.00 0.00 0.00 179.25 179.91 2jkv h PHE 220 N 0.14 0.78 -0.96 0.00 0.04 -1.12 0.90 116.94 116.72 2jkv h PHE 220 Ca 0.07 -0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.93 2jkv h PHE 220 Cb 0.04 -0.25 -0.08 0.00 2.20 0.00 0.00 35.95 37.86 2jkv h PHE 220 CO -0.11 0.55 0.59 1.49 -0.60 0.00 0.00 178.31 180.23 2jkv h GLU 221 N 0.79 0.95 -0.18 1.51 4.81 -0.70 -0.06 114.58 121.70 2jkv h GLU 221 Ca 0.21 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.24 2jkv h GLU 221 Cb 0.01 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.17 2jkv h GLU 221 CO -0.04 0.63 -0.43 -0.44 -0.73 0.00 0.00 179.01 178.00 2jkv h ASP 222 N 0.98 0.70 -0.60 1.04 3.32 -0.44 -3.09 116.42 118.33 2jkv h ASP 222 Ca 0.46 -0.57 0.10 0.00 0.02 0.00 0.00 57.03 57.04 2jkv h ASP 222 Cb 0.38 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 2jkv h ASP 222 CO -0.24 1.14 0.40 -0.50 -1.72 0.00 0.00 179.24 178.32 2jkv h TRP 223 N 0.29 0.43 0.00 4.55 6.55 -0.28 -0.71 115.95 126.77 2jkv h TRP 223 Ca -0.00 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.85 2jkv h TRP 223 Cb 1.04 -0.14 0.00 0.00 -0.86 0.00 0.00 29.16 29.20 2jkv h TRP 223 CO 0.09 0.20 0.00 -1.71 -1.05 0.00 0.00 178.44 175.98 2jkv n ASN 224 N -4.47 0.00 0.03 -3.49 5.15 -0.08 -2.25 115.26 110.14 2jkv n ASN 224 Ca 0.10 0.34 0.11 0.00 -0.60 0.00 0.00 54.58 54.53 2jkv n ASN 224 Cb 0.38 -0.41 -0.01 0.00 -0.53 0.00 0.00 39.78 39.21 2jkv n ASN 224 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2jkv n LYS 225 N -1.41 0.33 0.00 1.20 5.02 -0.27 -3.94 118.16 119.09 2jkv n LYS 225 Ca 0.04 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2jkv n LYS 225 Cb 0.11 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 2jkv n LYS 225 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2jkv n THR 226 N -2.02 0.00 0.26 -0.18 -2.24 -0.96 -4.88 114.28 104.27 2jkv n THR 226 Ca 0.01 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.90 2jkv n THR 226 Cb 0.45 0.00 0.71 0.00 -2.10 0.00 0.00 70.33 69.40 2jkv n THR 226 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2jkv h GLU 227 N 0.00 0.00 -0.04 -0.78 3.07 -1.93 -2.04 114.58 112.87 2jkv h GLU 227 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2jkv h GLU 227 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2jkv h GLU 227 CO 0.00 0.10 0.00 1.28 -1.40 0.00 0.00 179.01 178.99 2jkv n LEU 228 N -3.92 0.50 -4.38 1.33 4.77 -1.24 -4.76 117.00 109.31 2jkv n LEU 228 Ca -0.02 -0.20 -0.53 0.00 -0.03 0.00 0.00 56.01 55.23 2jkv n LEU 228 Cb 0.19 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.17 2jkv n LEU 228 CO 0.31 0.10 1.81 -0.67 -1.33 0.00 0.00 177.39 177.61 2jkv n ASP 229 N -0.51 1.48 -3.53 -1.43 2.03 -0.77 -4.70 116.55 109.13 2jkv n ASP 229 Ca 0.17 0.47 -0.09 0.00 0.52 0.00 0.00 54.79 55.85 2jkv n ASP 229 Cb 0.16 -1.11 -0.03 0.00 -0.72 0.00 0.00 41.12 39.42 2jkv n ASP 229 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2jkv s SER 230 N 7.10 -0.37 0.17 1.67 1.04 -1.26 -0.79 113.70 121.25 2jkv s SER 230 Ca 1.15 0.14 -0.16 0.00 0.48 0.00 0.00 55.95 57.56 2jkv s SER 230 Cb -1.11 0.36 0.11 0.00 0.10 0.00 0.00 66.02 65.48 2jkv s SER 230 CO 0.55 -0.54 1.70 0.15 0.98 0.00 0.00 173.24 176.08 2jkv h PHE 231 N 2.20 -0.03 -0.66 5.02 3.57 -1.64 -1.46 116.94 123.93 2jkv h PHE 231 Ca -0.21 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.25 2jkv h PHE 231 Cb 1.21 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 40.00 2jkv h PHE 231 CO 0.27 -0.08 0.13 -0.07 -2.23 0.00 0.00 178.31 176.33 2jkv h LEU 232 N 0.10 1.03 -0.29 0.59 3.38 -1.83 -1.05 115.31 117.24 2jkv h LEU 232 Ca 0.19 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2jkv h LEU 232 Cb 0.28 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2jkv h LEU 232 CO -0.33 1.01 0.12 0.40 0.09 0.00 0.00 178.44 179.73 2jkv h ILE 233 N 1.01 1.17 -0.15 1.22 1.08 -1.81 -2.22 117.51 117.81 2jkv h ILE 233 Ca 0.20 -0.52 0.05 0.00 -0.39 0.00 0.00 64.86 64.20 2jkv h ILE 233 Cb 0.40 0.99 -0.07 0.00 -3.07 0.00 0.00 36.82 35.08 2jkv h ILE 233 CO 0.01 0.18 -0.41 -0.08 -0.69 0.00 0.00 178.15 177.15 2jkv h GLU 234 N 0.31 -0.45 0.00 2.37 4.81 -0.87 -2.40 114.58 118.34 2jkv h GLU 234 Ca 0.10 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 2jkv h GLU 234 Cb 0.17 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2jkv h GLU 234 CO -0.01 -0.30 -0.25 -0.84 -0.73 0.00 0.00 179.01 176.87 2jkv h ILE 235 N -0.47 0.66 -0.52 2.32 3.07 -1.15 -2.53 117.51 118.89 2jkv h ILE 235 Ca 0.08 -1.15 -0.07 0.00 1.55 0.00 0.00 64.86 65.28 2jkv h ILE 235 Cb 0.62 1.75 -0.02 0.00 -0.27 0.00 0.00 36.82 38.90 2jkv h ILE 235 CO -0.41 0.25 0.07 0.74 -1.05 0.00 0.00 178.15 177.75 2jkv h THR 236 N 0.00 1.25 -0.36 0.16 2.02 -1.00 0.19 112.91 115.17 2jkv h THR 236 Ca -0.00 -0.98 0.05 0.00 0.77 0.00 0.00 66.41 66.25 2jkv h THR 236 Cb 0.73 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 2jkv h THR 236 CO 0.03 0.35 0.10 0.00 0.37 0.00 0.00 175.52 176.37 2jkv h ALA 237 N 0.97 0.41 -0.50 6.16 0.00 -1.02 -0.58 119.26 124.69 2jkv h ALA 237 Ca 0.15 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2jkv h ALA 237 Cb 0.43 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2jkv h ALA 237 CO 0.01 -0.30 0.16 -0.91 0.00 0.00 0.00 179.25 178.22 2jkv h ASN 238 N 0.24 0.72 -0.39 0.00 2.35 -1.17 -2.43 115.58 114.90 2jkv h ASN 238 Ca 0.17 -0.20 0.03 0.00 -0.55 0.00 0.00 56.30 55.75 2jkv h ASN 238 Cb 0.17 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 2jkv h ASN 238 CO -0.19 0.73 0.20 0.40 -1.65 0.00 0.00 177.43 176.91 2jkv h ILE 239 N 0.67 0.98 -0.53 2.81 2.04 -0.36 -1.44 117.51 121.68 2jkv h ILE 239 Ca 0.16 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.90 2jkv h ILE 239 Cb 0.26 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2jkv h ILE 239 CO -0.01 0.07 0.35 -0.07 0.00 0.00 0.00 178.15 178.50 2jkv h LEU 240 N 0.40 0.58 -0.58 1.44 3.38 -0.93 -2.42 115.31 117.18 2jkv h LEU 240 Ca 0.17 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.98 2jkv h LEU 240 Cb 0.07 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2jkv h LEU 240 CO -0.12 0.42 -0.70 0.11 0.09 0.00 0.00 178.44 178.24 2jkv h LYS 241 N 0.68 0.00 -6.67 1.13 1.57 -0.92 -3.42 116.57 108.94 2jkv h LYS 241 Ca 0.20 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.46 2jkv h LYS 241 Cb -0.02 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.35 2jkv h LYS 241 CO -0.05 0.70 1.00 0.12 -0.57 0.00 0.00 179.45 180.65 2jkv s PHE 242 N -3.39 2.89 -0.07 -1.35 5.36 -0.59 -4.95 117.98 115.88 2jkv s PHE 242 Ca -0.01 0.38 0.02 0.00 -0.96 0.00 0.00 56.93 56.36 2jkv s PHE 242 Cb 0.12 -4.14 -0.02 0.00 -0.34 0.00 0.00 43.02 38.64 2jkv s PHE 242 CO 0.77 -4.26 -0.13 -0.65 -1.46 0.00 0.00 175.22 169.49 2jkv s GLN 243 N 1.04 2.76 0.90 10.12 -0.21 -1.26 -1.96 119.66 131.04 2jkv s GLN 243 Ca 0.74 -0.67 -0.12 0.00 0.02 0.00 0.00 55.36 55.33 2jkv s GLN 243 Cb -0.50 -2.47 0.13 0.00 1.00 0.00 0.00 33.01 31.17 2jkv s GLN 243 CO 0.33 0.53 1.13 0.34 -2.12 0.00 0.00 175.29 175.50 2jkv s ASP 244 N -0.47 3.56 0.52 5.90 -1.08 0.14 -4.82 116.67 120.41 2jkv s ASP 244 Ca 0.06 1.05 0.29 0.00 -0.52 0.00 0.00 52.55 53.43 2jkv s ASP 244 Cb -0.12 -1.66 1.59 0.00 -1.46 0.00 0.00 42.92 41.27 2jkv s ASP 244 CO 0.02 -2.53 1.88 0.71 0.52 0.00 0.00 175.17 175.77 2jkv h THR 245 N -1.48 0.00 -0.47 1.71 1.35 -2.00 0.10 112.91 112.13 2jkv h THR 245 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2jkv h THR 245 Cb 1.32 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 2jkv h THR 245 CO 0.61 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.98 2jkv n ASP 246 N -2.63 2.95 0.00 5.36 5.75 -1.26 -4.94 116.55 121.78 2jkv n ASP 246 Ca -0.02 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 2jkv n ASP 246 Cb 0.19 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 2jkv n ASP 246 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jkv n GLY 247 N 1.39 3.00 3.82 6.12 0.00 0.36 -5.02 105.19 114.86 2jkv n GLY 247 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2jkv n GLY 247 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jkv s LYS 248 N -0.27 3.91 0.38 1.61 1.02 -1.26 -4.71 119.74 120.42 2jkv s LYS 248 Ca 0.00 1.13 -0.27 0.00 0.02 0.00 0.00 55.97 56.85 2jkv s LYS 248 Cb 0.00 -2.12 -0.10 0.00 -0.52 0.00 0.00 37.83 35.09 2jkv s LYS 248 CO 0.00 -0.31 1.36 -1.01 -0.92 0.00 0.00 175.35 174.47 2jkv s HIS 249 N -2.33 2.80 0.04 3.18 3.76 -1.26 0.26 115.29 121.74 2jkv s HIS 249 Ca 0.62 1.34 -0.16 0.00 -0.15 0.00 0.00 55.06 56.71 2jkv s HIS 249 Cb -0.12 -3.79 -0.30 0.00 1.11 0.00 0.00 32.58 29.48 2jkv s HIS 249 CO 0.24 -2.33 1.08 1.25 -0.85 0.00 0.00 174.74 174.13 2jkv h LEU 250 N 2.96 0.84 -0.78 0.89 5.85 -1.71 -3.37 115.31 119.98 2jkv h LEU 250 Ca -0.50 -0.84 0.10 0.00 0.84 0.00 0.00 57.88 57.49 2jkv h LEU 250 Cb 1.24 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.93 2jkv h LEU 250 CO 0.64 1.59 0.42 0.25 -0.34 0.00 0.00 178.44 181.00 2jkv h LEU 251 N 0.20 0.56 -1.31 2.25 5.85 -1.83 0.37 115.31 121.41 2jkv h LEU 251 Ca -0.19 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2jkv h LEU 251 Cb 1.89 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.88 2jkv h LEU 251 CO 0.23 0.30 0.00 -0.65 -0.34 0.00 0.00 178.44 177.98 2jkv h PRO 252 N 0.68 0.00 0.00 5.25 0.11 -1.98 -1.37 132.00 134.70 2jkv h PRO 252 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 2jkv h PRO 252 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.53 2jkv h PRO 252 CO -0.28 0.00 -0.34 1.63 -0.21 0.00 0.00 178.00 178.80 2jkv n LYS 253 N -2.36 0.20 -2.75 1.05 5.02 0.12 -4.92 118.16 114.52 2jkv n LYS 253 Ca -0.00 0.10 -0.41 0.00 -2.02 0.00 0.00 58.31 55.97 2jkv n LYS 253 Cb 0.12 -1.66 -0.04 0.00 -0.02 0.00 0.00 35.03 33.42 2jkv n LYS 253 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jkv s ILE 254 N -3.10 4.61 0.22 -0.18 1.01 -0.52 -5.00 121.20 118.24 2jkv s ILE 254 Ca 0.09 2.03 -0.31 0.00 0.00 0.00 0.00 60.65 62.46 2jkv s ILE 254 Cb 0.15 -4.30 -0.11 0.00 0.01 0.00 0.00 42.46 38.20 2jkv s ILE 254 CO 0.66 0.28 1.59 -0.60 0.00 0.00 0.00 174.94 176.87 2jkv s ARG 255 N 0.23 4.18 -0.80 2.79 3.52 -1.26 -4.91 118.95 122.70 2jkv s ARG 255 Ca 0.47 2.47 -0.04 0.00 -0.13 0.00 0.00 55.73 58.51 2jkv s ARG 255 Cb -0.22 -3.09 0.13 0.00 -1.56 0.00 0.00 34.95 30.21 2jkv s ARG 255 CO 0.29 -0.62 2.50 -0.40 -0.81 0.00 0.00 175.30 176.26 2jkv n ASP 256 N 3.25 7.12 -3.88 -2.12 5.75 -1.26 -4.80 116.55 120.60 2jkv n ASP 256 Ca 0.12 -3.30 -0.30 0.00 -0.01 0.00 0.00 54.79 51.29 2jkv n ASP 256 Cb 0.38 -1.24 -0.15 0.00 -1.03 0.00 0.00 41.12 39.07 2jkv n ASP 256 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2jkv s SER 257 N 0.05 3.98 0.08 -1.12 0.15 -1.26 -4.67 113.70 110.92 2jkv s SER 257 Ca 0.55 -1.44 -0.29 0.00 0.70 0.00 0.00 55.95 55.48 2jkv s SER 257 Cb 0.32 -1.13 -0.05 0.00 -1.71 0.00 0.00 66.02 63.44 2jkv s SER 257 CO -0.20 -0.31 0.92 0.00 1.20 0.00 0.00 173.24 174.85 2jkv s ALA 258 N 1.40 3.26 0.58 5.45 0.00 -1.26 -4.91 121.76 126.28 2jkv s ALA 258 Ca 0.01 0.51 -0.02 0.00 0.00 0.00 0.00 51.96 52.46 2jkv s ALA 258 Cb -0.18 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.74 2jkv s ALA 258 CO -0.11 -0.03 0.84 0.20 0.00 0.00 0.00 175.76 176.65 2jkv s GLY 259 N 0.12 1.69 -0.01 0.00 0.00 -1.26 -4.72 107.32 103.15 2jkv s GLY 259 Ca 0.46 -1.04 -0.26 0.00 0.00 0.00 0.00 44.72 43.88 2jkv s GLY 259 CO 0.28 -0.75 0.58 -0.86 0.00 0.00 0.00 173.10 172.36 2jkv s GLN 260 N -4.90 1.01 -0.03 2.90 -2.07 -1.26 -5.07 119.66 110.25 2jkv s GLN 260 Ca 0.56 0.03 0.04 0.00 -1.82 0.00 0.00 55.36 54.16 2jkv s GLN 260 Cb -0.10 0.47 0.06 0.00 -1.09 0.00 0.00 33.01 32.35 2jkv s GLN 260 CO 0.41 -0.33 1.01 1.63 -1.32 0.00 0.00 175.29 176.69 2jkv n LYS 261 N 0.75 2.49 0.00 9.60 5.02 -1.26 -5.02 118.16 129.74 2jkv n LYS 261 Ca -0.19 -1.69 0.00 0.00 -2.02 0.00 0.00 58.31 54.41 2jkv n LYS 261 Cb 0.58 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 2jkv n LYS 261 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jkv n GLY 262 N -0.67 2.34 0.30 0.72 0.00 -1.26 -4.98 105.19 101.64 2jkv n GLY 262 Ca 0.03 -0.75 -0.05 0.00 0.00 0.00 0.00 46.02 45.25 2jkv n GLY 262 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jkv h THR 263 N 0.00 1.22 0.49 2.61 1.35 -1.95 0.40 112.91 117.03 2jkv h THR 263 Ca 0.00 -0.51 -0.02 0.00 -0.55 0.00 0.00 66.41 65.33 2jkv h THR 263 Cb 0.00 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 66.63 2jkv h THR 263 CO 0.00 0.23 -0.24 1.23 -0.25 0.00 0.00 175.52 176.50 2jkv h GLY 264 N 1.02 -0.69 -0.36 5.82 0.00 -1.87 -1.60 103.07 105.38 2jkv h GLY 264 Ca 0.26 0.26 0.15 0.00 0.00 0.00 0.00 47.33 48.00 2jkv h GLY 264 CO -0.05 -0.25 -0.09 1.70 0.00 0.00 0.00 176.54 177.85 2jkv h LYS 265 N -0.67 0.04 -0.60 4.80 3.64 -1.86 -1.63 116.57 120.29 2jkv h LYS 265 Ca -0.07 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 2jkv h LYS 265 Cb 0.51 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 2jkv h LYS 265 CO 0.11 0.03 0.28 -1.49 -2.27 0.00 0.00 179.45 176.11 2jkv h TRP 266 N 0.05 0.85 -0.16 1.91 6.55 -0.56 -1.06 115.95 123.52 2jkv h TRP 266 Ca 0.37 -0.03 -0.01 0.00 0.95 0.00 0.00 58.89 60.17 2jkv h TRP 266 Cb 0.60 -0.27 -0.01 0.00 -0.86 0.00 0.00 29.16 28.63 2jkv h TRP 266 CO -0.49 0.62 0.06 1.15 -1.05 0.00 0.00 178.44 178.73 2jkv h THR 267 N 0.85 1.17 -0.66 1.49 2.02 -0.39 0.06 112.91 117.45 2jkv h THR 267 Ca 0.21 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2jkv h THR 267 Cb 0.10 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 2jkv h THR 267 CO -0.03 0.16 0.43 0.00 0.37 0.00 0.00 175.52 176.45 2jkv h ALA 268 N 0.89 0.84 -0.59 6.16 0.00 -1.00 -1.11 119.26 124.45 2jkv h ALA 268 Ca 0.05 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2jkv h ALA 268 Cb 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2jkv h ALA 268 CO -0.00 0.28 0.12 0.82 0.00 0.00 0.00 179.25 180.46 2jkv h ILE 269 N 0.90 1.25 -0.47 0.00 2.04 -1.01 -1.16 117.51 119.05 2jkv h ILE 269 Ca 0.24 -0.95 0.01 0.00 1.00 0.00 0.00 64.86 65.16 2jkv h ILE 269 Cb -0.09 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2jkv h ILE 269 CO -0.05 0.35 0.31 0.28 0.00 0.00 0.00 178.15 179.04 2jkv h SER 270 N 0.86 0.53 -0.06 1.72 0.02 -0.68 -0.36 113.55 115.58 2jkv h SER 270 Ca 0.18 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.15 2jkv h SER 270 Cb 0.39 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 2jkv h SER 270 CO 0.01 0.38 -0.12 0.00 -1.14 0.00 0.00 176.83 175.96 2jkv h ALA 271 N 1.18 -0.08 -0.53 3.77 0.00 -0.87 -1.36 119.26 121.36 2jkv h ALA 271 Ca 0.18 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.15 2jkv h ALA 271 Cb -0.06 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2jkv h ALA 271 CO -0.05 -0.59 0.30 -0.07 0.00 0.00 0.00 179.25 178.84 2jkv h LEU 272 N -0.17 0.46 -1.41 0.00 3.38 -1.02 0.48 115.31 117.03 2jkv h LEU 272 Ca 0.07 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2jkv h LEU 272 Cb 0.27 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2jkv h LEU 272 CO -0.17 0.32 0.04 -0.33 0.09 0.00 0.00 178.44 178.39 2jkv h GLU 273 N 0.58 0.42 -0.24 1.13 5.08 -0.61 -2.87 114.58 118.08 2jkv h GLU 273 Ca 0.22 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2jkv h GLU 273 Cb 0.07 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2jkv h GLU 273 CO -0.12 0.42 0.00 0.66 -1.00 0.00 0.00 179.01 178.97 2jkv n TYR 274 N -4.34 0.31 -2.88 4.33 4.01 -0.56 -4.99 117.16 113.04 2jkv n TYR 274 Ca 0.01 -0.23 -0.11 0.00 -0.16 0.00 0.00 57.90 57.41 2jkv n TYR 274 Cb 0.19 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.25 2jkv n TYR 274 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jkv n GLY 275 N 0.93 0.19 3.53 2.72 0.00 0.04 -5.03 105.19 107.58 2jkv n GLY 275 Ca 0.13 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 2jkv n GLY 275 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jkv s VAL 276 N -3.04 4.40 -1.17 1.61 1.01 -0.50 -5.01 120.40 117.70 2jkv s VAL 276 Ca 0.23 -0.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 2jkv s VAL 276 Cb -0.10 -3.00 -0.07 0.00 0.00 0.00 0.00 36.38 33.21 2jkv s VAL 276 CO 0.29 0.43 2.30 -2.65 0.00 0.00 0.00 175.10 175.46 2jkv n PRO 277 N 4.02 2.50 -2.33 2.72 -0.02 -1.26 -4.44 135.00 136.19 2jkv n PRO 277 Ca -0.17 -1.97 -0.43 0.00 -2.02 0.00 0.00 63.50 58.92 2jkv n PRO 277 Cb 0.52 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 2jkv n PRO 277 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2jkv n VAL 278 N 4.66 4.24 0.02 -1.45 0.31 -1.26 -4.79 118.33 120.07 2jkv n VAL 278 Ca 0.56 -4.28 -0.05 0.00 -0.01 0.00 0.00 64.34 60.55 2jkv n VAL 278 Cb 0.27 -2.39 0.15 0.00 -0.91 0.00 0.00 33.84 30.96 2jkv n VAL 278 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2jkv h THR 279 N 3.87 1.30 -0.32 2.52 1.35 -1.95 -3.18 112.91 116.51 2jkv h THR 279 Ca 0.41 -1.55 -0.01 0.00 -0.55 0.00 0.00 66.41 64.71 2jkv h THR 279 Cb 0.66 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.65 2jkv h THR 279 CO 1.62 0.48 0.15 -0.07 -0.25 0.00 0.00 175.52 177.45 2jkv h LEU 280 N 0.38 0.42 -0.72 3.87 3.38 -1.90 -1.85 115.31 118.90 2jkv h LEU 280 Ca 0.03 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2jkv h LEU 280 Cb 0.87 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 2jkv h LEU 280 CO 0.07 0.43 0.35 -0.29 0.09 0.00 0.00 178.44 179.10 2jkv h ILE 281 N 0.38 1.23 -0.13 1.22 6.09 -1.84 0.14 117.51 124.60 2jkv h ILE 281 Ca 0.11 -0.64 0.05 0.00 -1.37 0.00 0.00 64.86 63.01 2jkv h ILE 281 Cb 0.12 0.33 -0.06 0.00 0.47 0.00 0.00 36.82 37.69 2jkv h ILE 281 CO -0.01 0.27 -0.24 1.23 -3.07 0.00 0.00 178.15 176.33 2jkv h GLY 282 N 1.00 -0.25 1.23 8.18 0.00 -1.49 -0.55 103.07 111.19 2jkv h GLY 282 Ca 0.25 0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.81 2jkv h GLY 282 CO -0.03 -0.20 0.14 0.83 0.00 0.00 0.00 176.54 177.28 2jkv h GLU 283 N -0.30 0.96 -0.32 4.80 4.39 -0.89 -1.89 114.58 121.33 2jkv h GLU 283 Ca 0.10 -0.21 0.01 0.00 0.34 0.00 0.00 59.36 59.60 2jkv h GLU 283 Cb 0.46 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 2jkv h GLU 283 CO -0.31 0.86 0.20 0.00 -1.16 0.00 0.00 179.01 178.60 2jkv h ALA 284 N 1.24 0.40 -0.23 3.43 0.00 -0.35 0.19 119.26 123.94 2jkv h ALA 284 Ca 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2jkv h ALA 284 Cb 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2jkv h ALA 284 CO 0.00 -0.16 0.07 0.28 0.00 0.00 0.00 179.25 179.45 2jkv h VAL 285 N 0.40 1.19 -0.55 0.00 2.07 -0.94 -2.43 116.25 115.99 2jkv h VAL 285 Ca 0.12 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 2jkv h VAL 285 Cb -0.03 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 2jkv h VAL 285 CO -0.04 0.19 0.28 -0.26 0.02 0.00 0.00 177.57 177.76 2jkv h PHE 286 N 0.20 0.74 -0.74 1.57 0.04 -1.20 -1.87 116.94 115.68 2jkv h PHE 286 Ca 0.07 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.83 2jkv h PHE 286 Cb 0.22 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.10 2jkv h PHE 286 CO 0.00 0.54 0.48 0.00 -0.60 0.00 0.00 178.31 178.73 2jkv h ALA 287 N 1.55 0.94 -0.58 2.45 0.00 -0.33 0.13 119.26 123.42 2jkv h ALA 287 Ca 0.19 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2jkv h ALA 287 Cb 0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2jkv h ALA 287 CO -0.03 0.37 0.37 0.00 0.00 0.00 0.00 179.25 179.97 2jkv h ARG 288 N 1.01 0.73 -0.26 0.00 3.08 -0.90 -1.02 114.38 117.02 2jkv h ARG 288 Ca 0.27 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.29 2jkv h ARG 288 Cb -0.10 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.77 2jkv h ARG 288 CO -0.06 0.48 0.15 0.00 -1.07 0.00 0.00 179.97 179.48 2jkv h LEU 290 N 0.31 0.72 -1.40 0.00 5.85 -0.56 -2.14 115.31 118.08 2jkv h LEU 290 Ca 0.10 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 2jkv h LEU 290 Cb -0.01 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2jkv h LEU 290 CO -0.04 0.40 -0.30 0.77 -0.34 0.00 0.00 178.44 178.93 2jkv h SER 291 N 0.82 0.00 0.20 1.25 4.64 -0.58 -2.24 113.55 117.65 2jkv h SER 291 Ca 0.41 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.71 2jkv h SER 291 Cb 0.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2jkv h SER 291 CO -0.25 0.30 -0.14 0.28 -0.87 0.00 0.00 176.83 176.15 2jkv h SER 292 N 0.00 0.00 0.00 4.97 0.02 -0.79 -2.99 113.55 114.76 2jkv h SER 292 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2jkv h SER 292 Cb 0.56 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 2jkv h SER 292 CO 0.04 0.14 -0.04 0.18 -1.14 0.00 0.00 176.83 176.01 2jkv n LEU 293 N -4.12 4.15 -0.03 5.07 4.77 -0.84 -4.58 117.00 121.42 2jkv n LEU 293 Ca -0.02 -2.01 -0.08 0.00 -0.03 0.00 0.00 56.01 53.87 2jkv n LEU 293 Cb 0.22 -0.92 -0.02 0.00 -2.33 0.00 0.00 43.42 40.37 2jkv n LEU 293 CO 0.34 0.86 0.78 0.50 -1.33 0.00 0.00 177.39 178.54 2jkv h LYS 294 N 2.03 -0.11 -0.75 3.23 1.63 -1.74 0.95 116.57 121.81 2jkv h LYS 294 Ca 0.03 0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.84 2jkv h LYS 294 Cb 0.85 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.47 2jkv h LYS 294 CO 0.05 -0.07 0.49 -0.44 -3.45 0.00 0.00 179.45 176.03 2jkv h ASP 295 N -0.11 0.87 -0.96 4.20 3.32 -1.91 -0.78 116.42 121.04 2jkv h ASP 295 Ca 0.11 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.16 2jkv h ASP 295 Cb 0.29 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 2jkv h ASP 295 CO -0.27 0.64 0.63 -0.33 -1.72 0.00 0.00 179.24 178.19 2jkv h GLU 296 N 1.01 1.23 -0.34 3.56 5.08 -1.75 -2.15 114.58 121.23 2jkv h GLU 296 Ca 0.27 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.43 2jkv h GLU 296 Cb -0.10 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 28.86 2jkv h GLU 296 CO -0.06 0.81 -0.31 0.00 -1.00 0.00 0.00 179.01 178.46 2jkv h ARG 297 N 1.27 0.73 -0.10 2.33 3.08 0.22 0.28 114.38 122.18 2jkv h ARG 297 Ca 0.37 -0.33 0.01 0.00 0.07 0.00 0.00 59.98 60.09 2jkv h ARG 297 Cb -0.09 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 2jkv h ARG 297 CO -0.10 0.94 0.04 0.82 -1.07 0.00 0.00 179.97 180.60 2jkv h ILE 298 N 0.62 0.98 0.14 2.04 2.04 -1.01 0.01 117.51 122.33 2jkv h ILE 298 Ca 0.07 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 65.92 2jkv h ILE 298 Cb 0.83 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 2jkv h ILE 298 CO 0.07 0.02 -0.25 1.56 0.00 0.00 0.00 178.15 179.54 2jkv h GLN 299 N 0.09 -0.45 -0.41 2.37 1.08 -0.98 -2.94 115.11 113.86 2jkv h GLN 299 Ca 0.04 0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.29 2jkv h GLN 299 Cb 0.02 0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 2jkv h GLN 299 CO -0.04 -0.30 0.27 0.00 -0.95 0.00 0.00 178.83 177.81 2jkv h ALA 300 N 0.26 1.78 0.00 3.87 0.00 -0.30 -2.08 119.26 122.79 2jkv h ALA 300 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2jkv h ALA 300 Cb 0.49 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2jkv h ALA 300 CO -0.13 0.18 -0.05 0.66 0.00 0.00 0.00 179.25 179.91 2jkv h SER 301 N 0.49 0.00 0.70 0.00 4.64 -0.80 0.35 113.55 118.93 2jkv h SER 301 Ca 0.16 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.28 2jkv h SER 301 Cb 0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 2jkv h SER 301 CO -0.04 0.05 -0.91 0.11 -0.87 0.00 0.00 176.83 175.17 2jkv h LYS 302 N 0.00 0.13 0.00 4.77 1.79 -1.40 -3.38 116.57 118.47 2jkv h LYS 302 Ca -0.00 -0.15 -0.33 0.00 -2.18 0.00 0.00 60.65 57.99 2jkv h LYS 302 Cb 0.22 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.86 2jkv h LYS 302 CO 0.01 0.95 -2.25 1.63 -1.08 0.00 0.00 179.45 178.71 2jkv n LYS 303 N -3.58 0.90 -3.38 3.15 5.02 -0.71 -4.94 118.16 114.61 2jkv n LYS 303 Ca -0.03 0.05 -0.40 0.00 -2.02 0.00 0.00 58.31 55.91 2jkv n LYS 303 Cb 0.84 -1.45 -0.09 0.00 -0.02 0.00 0.00 35.03 34.30 2jkv n LYS 303 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jkv s LEU 304 N -5.70 4.15 0.30 -0.35 1.43 0.03 -5.06 118.68 113.49 2jkv s LEU 304 Ca -0.17 0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 53.01 2jkv s LEU 304 Cb 0.06 -2.41 -0.06 0.00 0.03 0.00 0.00 46.19 43.81 2jkv s LEU 304 CO 0.65 -0.24 0.59 -0.54 0.23 0.00 0.00 176.35 177.04 2jkv s LYS 305 N 2.08 3.68 0.00 1.70 3.01 -1.26 -4.76 119.74 124.19 2jkv s LYS 305 Ca 0.14 0.13 0.00 0.00 -1.01 0.00 0.00 55.97 55.24 2jkv s LYS 305 Cb -0.16 -2.60 0.00 0.00 -1.01 0.00 0.00 37.83 34.06 2jkv s LYS 305 CO 0.11 0.18 0.00 0.41 0.51 0.00 0.00 175.35 176.56 2jkv n GLY 306 N -0.90 1.79 3.70 -3.33 0.00 -1.26 -5.03 105.19 100.16 2jkv n GLY 306 Ca -0.01 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 2jkv n GLY 306 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2jkv s PRO 307 N 2.36 4.14 0.01 1.61 0.02 -1.26 -4.91 135.00 136.97 2jkv s PRO 307 Ca 0.00 2.58 -0.18 0.00 0.02 0.00 0.00 61.00 63.42 2jkv s PRO 307 Cb 0.00 -3.52 -0.28 0.00 0.02 0.00 0.00 34.50 30.72 2jkv s PRO 307 CO 0.00 -0.82 1.04 1.96 -0.33 0.00 0.00 177.00 178.84 2jkv h GLN 308 N 8.32 0.47 -2.29 5.54 1.08 -1.95 -3.39 115.11 122.89 2jkv h GLN 308 Ca -0.45 -0.63 -0.62 0.00 -1.45 0.00 0.00 58.65 55.49 2jkv h GLN 308 Cb 1.21 0.21 -0.40 0.00 -0.05 0.00 0.00 27.48 28.46 2jkv h GLN 308 CO 0.95 1.27 -0.39 1.63 -0.95 0.00 0.00 178.83 181.33 2jkv n LYS 309 N -4.01 3.44 -4.37 1.46 4.76 -1.26 -5.02 118.16 113.16 2jkv n LYS 309 Ca -0.13 -4.81 -0.34 0.00 -2.87 0.00 0.00 58.31 50.16 2jkv n LYS 309 Cb 0.85 -2.28 -0.13 0.00 -1.84 0.00 0.00 35.03 31.64 2jkv n LYS 309 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 2jkv s PHE 310 N -3.42 2.98 -0.04 2.13 5.36 -1.26 -5.09 117.98 118.64 2jkv s PHE 310 Ca 0.46 -0.46 0.01 0.00 -0.96 0.00 0.00 56.93 55.97 2jkv s PHE 310 Cb 0.24 -1.97 0.02 0.00 -0.34 0.00 0.00 43.02 40.97 2jkv s PHE 310 CO -0.11 -0.16 -0.02 -0.65 -1.46 0.00 0.00 175.22 172.81 2jkv s GLN 311 N 0.59 0.60 -0.26 10.12 1.11 -1.26 -5.09 119.66 125.47 2jkv s GLN 311 Ca -0.03 -0.02 -0.29 0.00 0.01 0.00 0.00 55.36 55.03 2jkv s GLN 311 Cb -0.15 -0.70 -0.01 0.00 -1.01 0.00 0.00 33.01 31.14 2jkv s GLN 311 CO 0.03 -0.12 1.45 0.12 0.01 0.00 0.00 175.29 176.78 2jkv s PHE 312 N 1.02 2.41 -0.60 0.91 5.36 -1.26 -4.93 117.98 120.90 2jkv s PHE 312 Ca -0.10 0.72 0.06 0.00 -0.96 0.00 0.00 56.93 56.65 2jkv s PHE 312 Cb -0.14 -3.94 0.28 0.00 -0.34 0.00 0.00 43.02 38.88 2jkv s PHE 312 CO -0.01 -2.29 0.80 -0.25 -1.46 0.00 0.00 175.22 172.01 2jkv n ASP 313 N 8.00 3.67 -2.46 6.13 10.43 -1.26 -5.04 116.55 136.02 2jkv n ASP 313 Ca 0.17 -3.46 -0.11 0.00 2.57 0.00 0.00 54.79 53.96 2jkv n ASP 313 Cb 0.46 -0.63 -0.02 0.00 1.84 0.00 0.00 41.12 42.76 2jkv n ASP 313 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2jkv n GLY 314 N 0.53 2.39 3.58 0.44 0.00 -1.26 -5.11 105.19 105.76 2jkv n GLY 314 Ca 0.30 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 2jkv n GLY 314 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jkv s ASP 315 N -2.59 6.29 0.25 1.61 2.15 -1.26 -4.90 116.67 118.23 2jkv s ASP 315 Ca 0.21 0.37 -0.03 0.00 0.43 0.00 0.00 52.55 53.54 2jkv s ASP 315 Cb -0.01 -2.55 0.51 0.00 -0.30 0.00 0.00 42.92 40.57 2jkv s ASP 315 CO 0.15 -1.56 1.73 0.11 -0.17 0.00 0.00 175.17 175.43 2jkv h LYS 316 N 10.46 0.44 -0.63 4.34 1.57 -1.99 -0.59 116.57 130.17 2jkv h LYS 316 Ca -0.26 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.45 2jkv h LYS 316 Cb 1.08 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 2jkv h LYS 316 CO 1.16 0.29 0.21 -0.22 -0.57 0.00 0.00 179.45 180.32 2jkv h LYS 317 N 0.46 0.98 -0.64 3.15 3.64 -2.00 -0.18 116.57 121.98 2jkv h LYS 317 Ca 0.44 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 2jkv h LYS 317 Cb 0.69 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 2jkv h LYS 317 CO -0.42 0.85 0.23 1.03 -2.27 0.00 0.00 179.45 178.87 2jkv h SER 318 N 0.91 0.91 0.34 4.20 0.87 -1.66 -2.43 113.55 116.68 2jkv h SER 318 Ca 0.21 -0.19 -0.13 0.00 -1.23 0.00 0.00 61.79 60.45 2jkv h SER 318 Cb 0.27 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2jkv h SER 318 CO -0.01 0.85 -0.55 0.15 -0.53 0.00 0.00 176.83 176.74 2jkv h PHE 319 N 0.91 0.28 -0.63 2.24 3.57 -0.83 -1.83 116.94 120.65 2jkv h PHE 319 Ca 0.21 -0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.63 2jkv h PHE 319 Cb 0.24 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 2jkv h PHE 319 CO 0.02 0.72 0.41 1.25 -2.23 0.00 0.00 178.31 178.47 2jkv h LEU 320 N 0.17 0.69 -0.95 0.59 5.85 -0.75 -0.35 115.31 120.56 2jkv h LEU 320 Ca 0.00 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 2jkv h LEU 320 Cb 1.02 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 2jkv h LEU 320 CO 0.08 0.49 0.22 -0.08 -0.34 0.00 0.00 178.44 178.82 2jkv h GLU 321 N 0.82 0.98 -0.25 1.25 4.57 -1.20 -1.66 114.58 119.09 2jkv h GLU 321 Ca 0.24 -0.19 0.04 0.00 -1.18 0.00 0.00 59.36 58.27 2jkv h GLU 321 Cb -0.06 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.34 2jkv h GLU 321 CO -0.07 0.83 0.04 -0.44 -1.18 0.00 0.00 179.01 178.20 2jkv h ASP 322 N 0.95 -0.00 -0.67 1.04 3.32 -0.56 -1.28 116.42 119.23 2jkv h ASP 322 Ca 0.22 0.04 0.07 0.00 0.02 0.00 0.00 57.03 57.38 2jkv h ASP 322 Cb 0.25 0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.80 2jkv h ASP 322 CO -0.01 0.03 0.35 0.40 -1.72 0.00 0.00 179.24 178.29 2jkv h ILE 323 N 0.14 0.91 -0.34 0.35 2.04 -0.70 0.69 117.51 120.60 2jkv h ILE 323 Ca 0.12 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.78 2jkv h ILE 323 Cb 0.12 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 2jkv h ILE 323 CO -0.16 0.11 0.18 -0.09 0.00 0.00 0.00 178.15 178.20 2jkv h ARG 324 N 0.62 0.37 -0.19 2.37 2.43 -0.77 -0.38 114.38 118.83 2jkv h ARG 324 Ca 0.31 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.31 2jkv h ARG 324 Cb 0.26 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2jkv h ARG 324 CO -0.22 0.24 -0.52 0.87 -1.51 0.00 0.00 179.97 178.83 2jkv h LYS 325 N 0.38 0.53 -0.68 0.20 1.57 -0.78 -1.30 116.57 116.48 2jkv h LYS 325 Ca 0.14 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2jkv h LYS 325 Cb 0.03 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2jkv h LYS 325 CO -0.08 0.92 0.40 0.00 -0.57 0.00 0.00 179.45 180.12 2jkv h ALA 326 N 1.02 0.87 -0.56 3.86 0.00 -0.58 -1.44 119.26 122.42 2jkv h ALA 326 Ca 0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2jkv h ALA 326 Cb 1.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2jkv h ALA 326 CO 0.10 0.35 0.11 1.25 0.00 0.00 0.00 179.25 181.05 2jkv h LEU 327 N 0.92 0.88 -0.28 0.00 5.85 -0.74 -1.39 115.31 120.55 2jkv h LEU 327 Ca 0.24 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2jkv h LEU 327 Cb -0.02 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 2jkv h LEU 327 CO -0.04 0.90 0.16 0.22 -0.34 0.00 0.00 178.44 179.34 2jkv h TYR 328 N 0.81 0.38 -0.37 1.25 3.20 -0.96 0.06 116.97 121.34 2jkv h TYR 328 Ca 0.17 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 2jkv h TYR 328 Cb 0.39 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 2jkv h TYR 328 CO 0.03 0.31 0.04 0.00 -1.64 0.00 0.00 178.16 176.89 2jkv h ALA 329 N 1.04 0.49 -0.68 1.82 0.00 -1.08 -1.64 119.26 119.21 2jkv h ALA 329 Ca 0.10 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2jkv h ALA 329 Cb 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2jkv h ALA 329 CO -0.02 0.22 0.17 0.77 0.00 0.00 0.00 179.25 180.39 2jkv h SER 330 N 0.45 1.04 -0.99 0.00 0.02 -1.17 -1.76 113.55 111.13 2jkv h SER 330 Ca 0.11 -0.23 0.08 0.00 -0.84 0.00 0.00 61.79 60.91 2jkv h SER 330 Cb 0.40 -0.27 -0.07 0.00 0.14 0.00 0.00 62.40 62.60 2jkv h SER 330 CO 0.01 1.00 0.64 0.50 -1.14 0.00 0.00 176.83 177.84 2jkv h LYS 331 N 1.02 1.08 -0.16 3.45 3.64 -0.71 -0.39 116.57 124.51 2jkv h LYS 331 Ca 0.21 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2jkv h LYS 331 Cb 0.37 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2jkv h LYS 331 CO 0.00 0.71 0.06 0.82 -2.27 0.00 0.00 179.45 178.78 2jkv h ILE 332 N 1.11 1.16 -0.55 2.00 2.04 -0.56 -2.44 117.51 120.26 2jkv h ILE 332 Ca 0.45 -0.47 0.08 0.00 1.00 0.00 0.00 64.86 65.91 2jkv h ILE 332 Cb 0.26 1.18 -0.07 0.00 -0.74 0.00 0.00 36.82 37.45 2jkv h ILE 332 CO -0.19 0.15 0.20 0.40 0.00 0.00 0.00 178.15 178.70 2jkv h ILE 333 N 0.10 0.80 -0.50 -0.67 1.08 -0.51 -0.30 117.51 117.51 2jkv h ILE 333 Ca 0.05 -0.13 0.06 0.00 -0.39 0.00 0.00 64.86 64.45 2jkv h ILE 333 Cb 0.17 0.39 -0.09 0.00 -3.07 0.00 0.00 36.82 34.22 2jkv h ILE 333 CO -0.00 0.07 -0.54 -1.28 -0.69 0.00 0.00 178.15 175.71 2jkv h SER 334 N 0.38 -1.82 -0.67 1.72 0.87 -0.80 0.79 113.55 114.01 2jkv h SER 334 Ca 0.27 0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 61.06 2jkv h SER 334 Cb 0.32 0.77 -0.03 0.00 -0.44 0.00 0.00 62.40 63.01 2jkv h SER 334 CO -0.28 -0.37 0.32 1.88 -0.53 0.00 0.00 176.83 177.85 2jkv h TYR 335 N -0.33 0.97 -0.70 2.24 -1.99 -0.97 -1.96 116.97 114.23 2jkv h TYR 335 Ca 0.10 -0.05 0.04 0.00 2.00 0.00 0.00 58.73 60.83 2jkv h TYR 335 Cb 0.57 -0.30 -0.05 0.00 2.00 0.00 0.00 36.73 38.95 2jkv h TYR 335 CO -0.75 0.73 0.42 0.00 -0.00 0.00 0.00 178.16 178.56 2jkv h ALA 336 N 1.15 0.93 -0.25 3.88 0.00 -0.44 -1.10 119.26 123.43 2jkv h ALA 336 Ca 0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2jkv h ALA 336 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2jkv h ALA 336 CO -0.03 0.16 0.08 1.96 0.00 0.00 0.00 179.25 181.42 2jkv h GLN 337 N 0.80 0.39 -0.66 0.00 4.20 -0.66 -1.87 115.11 117.30 2jkv h GLN 337 Ca 0.30 -0.08 0.14 0.00 0.06 0.00 0.00 58.65 59.06 2jkv h GLN 337 Cb 0.10 -0.06 -0.12 0.00 0.30 0.00 0.00 27.48 27.70 2jkv h GLN 337 CO -0.14 0.46 -0.12 0.78 -0.67 0.00 0.00 178.83 179.14 2jkv h GLY 338 N 0.24 0.55 2.00 3.46 0.00 -0.87 -1.11 103.07 107.34 2jkv h GLY 338 Ca 0.08 0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.53 2jkv h GLY 338 CO -0.00 -0.25 -0.32 0.74 0.00 0.00 0.00 176.54 176.71 2jkv h PHE 339 N 0.03 0.00 -0.70 5.60 -1.00 -0.99 -2.11 116.94 117.77 2jkv h PHE 339 Ca 0.33 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.08 2jkv h PHE 339 Cb 0.52 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.05 2jkv h PHE 339 CO -0.49 0.32 0.32 0.52 -1.61 0.00 0.00 178.31 177.37 2jkv h MET 340 N 0.00 1.03 -0.55 1.51 2.86 -0.40 -1.37 114.93 118.00 2jkv h MET 340 Ca -0.00 -0.16 -0.09 0.00 -2.06 0.00 0.00 59.70 57.38 2jkv h MET 340 Cb 0.77 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 2jkv h MET 340 CO 0.04 0.82 -0.02 1.25 1.06 0.00 0.00 176.91 180.06 2jkv h LEU 341 N 0.99 0.98 -0.35 1.22 5.85 -0.93 -1.38 115.31 121.69 2jkv h LEU 341 Ca 0.24 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2jkv h LEU 341 Cb 0.15 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2jkv h LEU 341 CO -0.03 1.06 0.16 -0.07 -0.34 0.00 0.00 178.44 179.22 2jkv h LEU 342 N 0.87 0.46 -0.88 2.25 3.38 -1.16 -1.14 115.31 119.09 2jkv h LEU 342 Ca 0.15 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2jkv h LEU 342 Cb 0.57 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 2jkv h LEU 342 CO 0.03 0.47 0.57 -0.09 0.09 0.00 0.00 178.44 179.51 2jkv h ARG 343 N 0.43 1.10 -0.70 1.13 9.65 -1.11 -1.56 114.38 123.32 2jkv h ARG 343 Ca 0.12 -0.07 -0.07 0.00 -1.10 0.00 0.00 59.98 58.86 2jkv h ARG 343 Cb 0.13 -0.25 -0.03 0.00 -1.39 0.00 0.00 29.97 28.43 2jkv h ARG 343 CO -0.01 0.73 0.16 0.37 2.80 0.00 0.00 179.97 184.02 2jkv h GLN 344 N 1.14 1.12 -0.61 0.20 5.75 -0.89 -2.39 115.11 119.42 2jkv h GLN 344 Ca 0.34 -0.27 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 2jkv h GLN 344 Cb -0.05 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.32 2jkv h GLN 344 CO -0.10 0.99 0.35 0.00 -2.65 0.00 0.00 178.83 177.42 2jkv h ALA 345 N 1.11 0.78 -0.86 3.38 0.00 -0.52 0.91 119.26 124.05 2jkv h ALA 345 Ca 0.22 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2jkv h ALA 345 Cb 0.38 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2jkv h ALA 345 CO 0.00 0.28 0.57 0.00 0.00 0.00 0.00 179.25 180.10 2jkv h ALA 346 N 1.17 1.40 -0.06 0.00 0.00 -0.98 0.84 119.26 121.64 2jkv h ALA 346 Ca 0.22 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2jkv h ALA 346 Cb 0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 2jkv h ALA 346 CO -0.04 0.54 -0.06 1.15 0.00 0.00 0.00 179.25 180.84 2jkv h THR 347 N 1.14 1.38 -0.95 0.00 2.02 -0.98 0.14 112.91 115.67 2jkv h THR 347 Ca 0.32 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 66.26 2jkv h THR 347 Cb -0.10 2.09 -0.05 0.00 -1.74 0.00 0.00 68.15 68.35 2jkv h THR 347 CO -0.08 0.34 0.61 -0.08 0.37 0.00 0.00 175.52 176.68 2jkv h GLU 348 N -0.32 1.26 -0.00 6.66 4.57 -0.34 -3.32 114.58 123.10 2jkv h GLU 348 Ca 0.01 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2jkv h GLU 348 Cb 0.58 -0.28 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 2jkv h GLU 348 CO 0.02 0.85 -0.19 1.19 -1.18 0.00 0.00 179.01 179.69 2jkv n PHE 349 N -4.38 0.00 -0.99 0.92 3.72 0.25 -4.99 117.46 111.99 2jkv n PHE 349 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 2jkv n PHE 349 Cb 0.03 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 2jkv n PHE 349 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jkv n GLY 350 N 0.91 0.60 3.74 1.37 0.00 0.47 -5.00 105.19 107.28 2jkv n GLY 350 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2jkv n GLY 350 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jkv s TRP 351 N -2.46 2.80 -1.20 1.61 0.51 -1.17 -4.93 118.94 114.10 2jkv s TRP 351 Ca 0.00 0.65 -0.12 0.00 -2.12 0.00 0.00 56.10 54.51 2jkv s TRP 351 Cb 0.00 -4.09 0.20 0.00 -0.81 0.00 0.00 33.47 28.77 2jkv s TRP 351 CO 0.00 -3.80 1.41 0.25 -0.51 0.00 0.00 176.95 174.30 2jkv n THR 352 N 2.73 4.34 -2.82 2.01 -2.24 -1.26 -4.54 114.28 112.50 2jkv n THR 352 Ca 0.10 -4.86 -0.40 0.00 -2.27 0.00 0.00 64.05 56.62 2jkv n THR 352 Cb 0.37 -2.48 -0.05 0.00 -2.10 0.00 0.00 70.33 66.07 2jkv n THR 352 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2jkv s LEU 353 N 0.81 4.56 -0.66 3.22 1.43 -1.26 -4.88 118.68 121.90 2jkv s LEU 353 Ca 0.40 1.77 -0.16 0.00 -1.03 0.00 0.00 54.13 55.11 2jkv s LEU 353 Cb -0.03 -3.49 0.16 0.00 0.03 0.00 0.00 46.19 42.85 2jkv s LEU 353 CO -0.01 0.07 0.65 0.21 0.23 0.00 0.00 176.35 177.50 2jkv s ASN 354 N -0.62 6.40 0.13 2.29 3.84 -1.26 -4.94 114.94 120.78 2jkv s ASN 354 Ca 0.42 -2.05 -0.16 0.00 0.21 0.00 0.00 52.86 51.28 2jkv s ASN 354 Cb -0.24 -2.23 -0.01 0.00 -0.55 0.00 0.00 41.25 38.22 2jkv s ASN 354 CO 0.29 -0.81 1.67 1.88 -2.79 0.00 0.00 177.10 177.34 2jkv h TYR 355 N 8.57 0.60 -0.78 0.43 0.05 -1.95 0.13 116.97 124.02 2jkv h TYR 355 Ca -0.14 -0.05 0.06 0.00 0.05 0.00 0.00 58.73 58.64 2jkv h TYR 355 Cb 1.07 -0.18 -0.06 0.00 1.01 0.00 0.00 36.73 38.58 2jkv h TYR 355 CO 0.87 0.54 0.47 0.78 -1.05 0.00 0.00 178.16 179.77 2jkv h GLY 356 N 0.48 1.15 0.97 3.88 0.00 -1.86 -1.56 103.07 106.14 2jkv h GLY 356 Ca 0.13 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 2jkv h GLY 356 CO -0.01 0.24 0.22 -1.33 0.00 0.00 0.00 176.54 175.66 2jkv h GLY 357 N 0.87 0.74 0.81 4.60 0.00 -1.73 -1.57 103.07 106.78 2jkv h GLY 357 Ca 0.34 -0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.33 2jkv h GLY 357 CO -0.16 0.35 0.41 -2.22 0.00 0.00 0.00 176.54 174.92 2jkv h ILE 358 N 0.63 1.05 -0.81 2.60 2.04 -0.36 -1.00 117.51 121.65 2jkv h ILE 358 Ca 0.16 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.79 2jkv h ILE 358 Cb 0.13 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 36.36 2jkv h ILE 358 CO -0.02 0.14 0.52 0.00 0.00 0.00 0.00 178.15 178.79 2jkv h ALA 359 N 1.31 1.06 -0.35 1.87 0.00 -0.87 -2.18 119.26 120.10 2jkv h ALA 359 Ca 0.28 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2jkv h ALA 359 Cb 0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2jkv h ALA 359 CO -0.13 0.35 -0.11 -0.07 0.00 0.00 0.00 179.25 179.28 2jkv h LEU 360 N 1.02 0.59 -2.49 0.00 3.38 -0.59 -2.28 115.31 114.95 2jkv h LEU 360 Ca 0.32 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2jkv h LEU 360 Cb -0.00 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2jkv h LEU 360 CO -0.11 0.74 0.00 0.24 0.09 0.00 0.00 178.44 179.40 2jkv h MET 361 N 0.56 0.00 -0.20 1.13 2.86 -0.55 -2.53 114.93 116.21 2jkv h MET 361 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2jkv h MET 361 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2jkv h MET 361 CO 0.03 0.00 0.00 0.91 1.06 0.00 0.00 176.91 178.91 2jkv n TRP 362 N -2.97 0.25 0.35 -0.22 8.01 -0.86 -4.27 117.44 117.74 2jkv n TRP 362 Ca -0.02 -0.13 0.14 0.00 -1.31 0.00 0.00 57.50 56.18 2jkv n TRP 362 Cb 0.11 0.00 0.39 0.00 -2.01 0.00 0.00 31.31 29.80 2jkv n TRP 362 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2jkv h ARG 363 N 2.97 0.00 -4.17 -0.99 3.08 -1.54 -3.30 114.38 110.42 2jkv h ARG 363 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 2jkv h ARG 363 Cb 0.65 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.54 2jkv h ARG 363 CO 0.00 0.00 -0.67 0.20 -1.07 0.00 0.00 179.97 178.43 2jkv s GLY 364 N -3.97 0.41 -1.73 0.04 0.00 -1.26 -4.87 107.32 95.94 2jkv s GLY 364 Ca 0.06 -1.08 -0.19 0.00 0.00 0.00 0.00 44.72 43.51 2jkv s GLY 364 CO 0.59 -1.19 0.73 0.61 0.00 0.00 0.00 173.10 173.84 2jkv n GLY 365 N 0.32 -0.43 2.87 0.20 0.00 -1.25 -3.84 105.19 103.06 2jkv n GLY 365 Ca -0.16 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 2jkv n GLY 365 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jkv h ILE 367 N 5.59 1.24 -0.73 0.00 1.08 -1.90 -2.73 117.51 120.05 2jkv h ILE 367 Ca -0.33 -1.12 -0.26 0.00 -0.39 0.00 0.00 64.86 62.75 2jkv h ILE 367 Cb 1.17 1.50 -0.16 0.00 -3.07 0.00 0.00 36.82 36.27 2jkv h ILE 367 CO 0.48 0.33 0.31 2.30 -0.69 0.00 0.00 178.15 180.87 2jkv n ILE 368 N -4.16 2.93 -1.68 -0.67 -5.35 -1.26 -4.11 119.36 105.06 2jkv n ILE 368 Ca -0.01 -1.81 -0.46 0.00 -0.27 0.00 0.00 62.75 60.19 2jkv n ILE 368 Cb 0.37 -0.37 -0.04 0.00 -1.74 0.00 0.00 39.64 37.85 2jkv n ILE 368 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2jkv n ARG 369 N -0.47 2.36 -4.01 6.28 0.63 -1.03 -4.94 116.66 115.48 2jkv n ARG 369 Ca 0.43 0.86 -0.09 0.00 -0.92 0.00 0.00 57.85 58.12 2jkv n ARG 369 Cb 1.39 -2.69 -0.11 0.00 0.45 0.00 0.00 32.46 31.51 2jkv n ARG 369 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2jkv s SER 370 N 2.42 0.38 0.61 6.15 0.15 -1.26 -1.95 113.70 120.20 2jkv s SER 370 Ca 0.84 -0.57 0.37 0.00 0.70 0.00 0.00 55.95 57.29 2jkv s SER 370 Cb -0.62 0.10 2.00 0.00 -1.71 0.00 0.00 66.02 65.79 2jkv s SER 370 CO 0.42 -0.32 2.26 1.62 1.20 0.00 0.00 173.24 178.42 2jkv h VAL 371 N 4.44 0.24 -0.42 4.45 3.04 -1.26 -2.80 116.25 123.94 2jkv h VAL 371 Ca -0.33 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 2jkv h VAL 371 Cb 1.20 1.11 0.00 0.00 -2.01 0.00 0.00 31.29 31.59 2jkv h VAL 371 CO 0.44 0.02 0.00 2.22 -1.01 0.00 0.00 177.57 179.24 2jkv n PHE 372 N -3.39 0.55 0.18 3.17 1.16 -1.26 -4.20 117.46 113.67 2jkv n PHE 372 Ca -0.02 -0.28 0.12 0.00 -1.87 0.00 0.00 57.45 55.40 2jkv n PHE 372 Cb 0.12 0.00 0.67 0.00 -1.61 0.00 0.00 39.48 38.66 2jkv n PHE 372 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 2jkv h LEU 373 N 3.83 0.00 -1.09 5.98 3.38 -1.84 0.22 115.31 125.79 2jkv h LEU 373 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2jkv h LEU 373 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2jkv h LEU 373 CO 0.00 0.00 -0.20 1.23 0.09 0.00 0.00 178.44 179.56 2jkv h GLY 374 N 0.00 0.44 1.25 0.83 0.00 -1.83 -2.06 103.07 101.69 2jkv h GLY 374 Ca 0.08 -0.33 -0.12 0.00 0.00 0.00 0.00 47.33 46.96 2jkv h GLY 374 CO -0.00 0.30 -0.20 0.50 0.00 0.00 0.00 176.54 177.14 2jkv h LYS 375 N 0.37 0.87 -0.28 4.80 1.79 -0.86 -1.25 116.57 122.01 2jkv h LYS 375 Ca 0.06 -0.35 -0.00 0.00 -2.18 0.00 0.00 60.65 58.18 2jkv h LYS 375 Cb 0.56 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 2jkv h LYS 375 CO 0.04 0.99 0.16 0.82 -1.08 0.00 0.00 179.45 180.38 2jkv h ILE 376 N 0.76 1.12 -0.48 1.86 2.04 -1.08 -0.63 117.51 121.09 2jkv h ILE 376 Ca 0.10 -0.30 0.06 0.00 1.00 0.00 0.00 64.86 65.72 2jkv h ILE 376 Cb 0.74 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 2jkv h ILE 376 CO 0.06 0.12 0.19 0.50 0.00 0.00 0.00 178.15 179.01 2jkv h LYS 377 N 0.35 0.37 -0.44 2.37 1.63 -1.17 -2.09 116.57 117.58 2jkv h LYS 377 Ca 0.10 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.91 2jkv h LYS 377 Cb 0.05 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.56 2jkv h LYS 377 CO -0.02 0.24 0.22 -0.44 -3.45 0.00 0.00 179.45 176.01 2jkv h ASP 378 N 0.38 0.32 -0.14 4.20 3.32 -0.88 -0.01 116.42 123.61 2jkv h ASP 378 Ca 0.22 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.34 2jkv h ASP 378 Cb 0.21 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.66 2jkv h ASP 378 CO -0.21 0.23 -0.28 0.00 -1.72 0.00 0.00 179.24 177.26 2jkv h ALA 379 N 1.23 -0.29 0.00 3.45 0.00 -0.74 -0.05 119.26 122.87 2jkv h ALA 379 Ca 0.19 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 2jkv h ALA 379 Cb 0.10 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2jkv h ALA 379 CO -0.13 -0.75 -0.27 0.74 0.00 0.00 0.00 179.25 178.84 2jkv h PHE 380 N -0.35 0.00 -0.05 0.00 0.04 -1.13 -1.85 116.94 113.59 2jkv h PHE 380 Ca 0.10 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.87 2jkv h PHE 380 Cb 0.50 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.65 2jkv h PHE 380 CO -0.38 0.27 0.02 -0.44 -0.60 0.00 0.00 178.31 177.19 2jkv h ASP 381 N 0.00 0.07 0.37 2.17 3.32 -0.35 -1.63 116.42 120.37 2jkv h ASP 381 Ca -0.00 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 2jkv h ASP 381 Cb 0.68 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 2jkv h ASP 381 CO 0.04 0.21 -0.25 0.03 -1.72 0.00 0.00 179.24 177.55 2jkv h ARG 382 N -0.08 0.00 -1.37 3.56 3.08 -0.74 -3.39 114.38 115.44 2jkv h ARG 382 Ca 0.02 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.87 2jkv h ARG 382 Cb 0.17 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 29.98 2jkv h ARG 382 CO -0.00 0.25 -0.56 1.21 -1.07 0.00 0.00 179.97 179.81 2jkv s ASN 383 N -6.67 -0.52 0.42 7.04 3.84 -0.72 -5.00 114.94 113.33 2jkv s ASN 383 Ca -0.03 -1.28 0.29 0.00 0.21 0.00 0.00 52.86 52.05 2jkv s ASN 383 Cb 0.14 1.40 1.43 0.00 -0.55 0.00 0.00 41.25 43.67 2jkv s ASN 383 CO 0.67 -0.18 1.89 -0.65 -2.79 0.00 0.00 177.10 176.04 2jkv h PRO 384 N 6.68 0.00 -0.22 0.43 0.11 -1.51 0.99 132.00 138.47 2jkv h PRO 384 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2jkv h PRO 384 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2jkv h PRO 384 CO 0.13 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.31 2jkv n GLU 385 N -2.58 2.31 -1.64 1.05 -0.58 -1.26 -4.98 120.64 112.97 2jkv n GLU 385 Ca -0.00 -1.95 -0.64 0.00 -0.42 0.00 0.00 57.16 54.14 2jkv n GLU 385 Cb 0.14 -1.48 -0.09 0.00 -0.57 0.00 0.00 31.44 29.44 2jkv n GLU 385 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2jkv n LEU 386 N 1.24 1.13 0.17 -4.62 7.94 0.34 -4.82 117.00 118.38 2jkv n LEU 386 Ca 0.17 1.12 0.10 0.00 -1.11 0.00 0.00 56.01 56.29 2jkv n LEU 386 Cb 0.56 -0.83 0.10 0.00 0.53 0.00 0.00 43.42 43.78 2jkv n LEU 386 CO 0.15 -0.80 0.53 1.56 -1.11 0.00 0.00 177.39 177.73 2jkv h GLN 387 N 4.68 0.00 -1.82 1.96 4.20 -1.93 -3.46 115.11 118.74 2jkv h GLN 387 Ca -0.41 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.31 2jkv h GLN 387 Cb 1.29 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 28.83 2jkv h GLN 387 CO 0.92 0.10 0.26 1.21 -0.67 0.00 0.00 178.83 180.64 2jkv s ASN 388 N -6.05 -0.64 0.52 1.46 3.84 -1.26 -4.88 114.94 107.92 2jkv s ASN 388 Ca 0.04 1.19 0.20 0.00 0.21 0.00 0.00 52.86 54.51 2jkv s ASN 388 Cb 0.07 1.22 1.31 0.00 -0.55 0.00 0.00 41.25 43.30 2jkv s ASN 388 CO 0.71 -0.20 2.08 -0.07 -2.79 0.00 0.00 177.10 176.83 2jkv h LEU 389 N 5.01 0.02 -2.12 3.21 3.38 -1.89 -0.79 115.31 122.13 2jkv h LEU 389 Ca -0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2jkv h LEU 389 Cb 1.18 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2jkv h LEU 389 CO 0.09 0.01 -0.07 -0.07 0.09 0.00 0.00 178.44 178.50 2jkv h LEU 390 N 0.02 0.00 -0.09 1.67 3.38 -1.95 -1.73 115.31 116.61 2jkv h LEU 390 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2jkv h LEU 390 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2jkv h LEU 390 CO -0.00 0.07 0.00 -0.07 0.09 0.00 0.00 178.44 178.52 2jkv h LEU 391 N 0.00 0.00 -9.88 1.67 3.38 -1.54 -3.24 115.31 105.70 2jkv h LEU 391 Ca -0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 2jkv h LEU 391 Cb 0.26 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.03 2jkv h LEU 391 CO 0.01 0.00 0.42 -0.62 0.09 0.00 0.00 178.44 178.34 2jkv s ASP 392 N -5.12 7.06 0.18 -0.43 2.15 -0.65 -4.87 116.67 114.98 2jkv s ASP 392 Ca 0.09 2.10 -0.13 0.00 0.43 0.00 0.00 52.55 55.03 2jkv s ASP 392 Cb 0.10 -2.60 0.10 0.00 -0.30 0.00 0.00 42.92 40.21 2jkv s ASP 392 CO 0.61 -0.28 1.83 0.44 -0.17 0.00 0.00 175.17 177.60 2jkv h ASP 393 N 3.16 0.59 -0.57 -0.34 3.32 -1.86 0.11 116.42 120.82 2jkv h ASP 393 Ca -0.47 -0.01 0.08 0.00 0.02 0.00 0.00 57.03 56.65 2jkv h ASP 393 Cb 1.21 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 40.56 2jkv h ASP 393 CO 0.65 0.42 0.22 0.15 -1.72 0.00 0.00 179.24 178.96 2jkv h PHE 394 N 0.71 0.39 0.11 4.55 3.57 -1.92 0.51 116.94 124.86 2jkv h PHE 394 Ca 0.21 0.03 -0.29 0.00 3.53 0.00 0.00 57.97 61.45 2jkv h PHE 394 Cb -0.03 -0.09 0.02 0.00 2.79 0.00 0.00 35.95 38.64 2jkv h PHE 394 CO -0.05 0.12 -1.23 0.74 -2.23 0.00 0.00 178.31 175.66 2jkv h PHE 395 N 0.41 0.92 -0.58 0.41 0.04 -1.68 -2.27 116.94 114.19 2jkv h PHE 395 Ca 0.28 -0.58 0.03 0.00 2.80 0.00 0.00 57.97 60.49 2jkv h PHE 395 Cb 0.31 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.35 2jkv h PHE 395 CO -0.16 1.43 0.35 -0.22 -0.60 0.00 0.00 178.31 179.11 2jkv h LYS 396 N 0.25 0.67 -0.31 1.51 3.64 -0.63 -1.82 116.57 119.88 2jkv h LYS 396 Ca -0.18 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.10 2jkv h LYS 396 Cb 1.90 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.56 2jkv h LYS 396 CO 0.23 0.45 -0.05 0.77 -2.27 0.00 0.00 179.45 178.57 2jkv h SER 397 N 0.70 0.58 -0.32 4.20 0.02 -0.92 -0.52 113.55 117.28 2jkv h SER 397 Ca 0.23 -0.35 0.02 0.00 -0.84 0.00 0.00 61.79 60.86 2jkv h SER 397 Cb 0.02 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 2jkv h SER 397 CO -0.10 0.79 0.16 0.00 -1.14 0.00 0.00 176.83 176.54 2jkv h ALA 398 N 0.81 0.39 -0.59 3.77 0.00 -1.28 -0.79 119.26 121.57 2jkv h ALA 398 Ca 0.08 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2jkv h ALA 398 Cb 0.53 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2jkv h ALA 398 CO 0.03 -0.22 0.02 0.28 0.00 0.00 0.00 179.25 179.35 2jkv h VAL 399 N 0.33 1.26 -0.88 0.00 2.07 -1.23 -1.83 116.25 115.97 2jkv h VAL 399 Ca 0.14 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.56 2jkv h VAL 399 Cb 0.05 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 2jkv h VAL 399 CO -0.10 0.40 0.56 -0.08 0.02 0.00 0.00 177.57 178.37 2jkv h GLU 400 N 0.93 1.18 0.00 1.57 4.57 -0.67 -1.02 114.58 121.13 2jkv h GLU 400 Ca 0.17 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 2jkv h GLU 400 Cb 0.51 -0.26 -0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2jkv h GLU 400 CO 0.02 0.80 -0.09 -0.91 -1.18 0.00 0.00 179.01 177.66 2jkv h ASN 401 N 1.20 0.00 0.32 1.04 2.35 -0.68 -3.11 115.58 116.70 2jkv h ASN 401 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 2jkv h ASN 401 Cb -0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.28 2jkv h ASN 401 CO -0.06 0.09 -0.96 0.00 -1.65 0.00 0.00 177.43 174.84 2jkv h GLN 403 N 0.00 0.01 -0.29 0.00 4.15 -1.13 0.16 115.11 118.01 2jkv h GLN 403 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2jkv h GLN 403 Cb 0.64 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 2jkv h GLN 403 CO 0.00 0.01 0.19 0.22 -1.93 0.00 0.00 178.83 177.32 2jkv h ASP 404 N 0.01 0.33 -0.58 -0.69 3.58 -1.81 -0.79 116.42 116.47 2jkv h ASP 404 Ca 0.14 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.53 2jkv h ASP 404 Cb 0.20 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 2jkv h ASP 404 CO -0.28 0.25 0.18 0.28 -2.88 0.00 0.00 179.24 176.79 2jkv h SER 405 N 0.39 0.85 -0.04 2.28 0.02 -1.71 -1.74 113.55 113.59 2jkv h SER 405 Ca 0.11 -0.21 0.04 0.00 -0.84 0.00 0.00 61.79 60.89 2jkv h SER 405 Cb -0.04 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.23 2jkv h SER 405 CO -0.02 0.83 -0.27 -0.25 -1.14 0.00 0.00 176.83 175.98 2jkv h TRP 406 N 0.83 -0.73 -0.38 3.45 7.01 -0.24 0.18 115.95 126.07 2jkv h TRP 406 Ca 0.19 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 61.15 2jkv h TRP 406 Cb 0.28 0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 27.66 2jkv h TRP 406 CO 0.02 -0.36 -0.03 0.00 -2.79 0.00 0.00 178.44 175.28 2jkv h ARG 407 N -0.39 0.61 -0.31 2.65 3.08 -1.04 -1.75 114.38 117.23 2jkv h ARG 407 Ca 0.07 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 2jkv h ARG 407 Cb 0.50 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 2jkv h ARG 407 CO -0.26 0.65 0.09 -0.09 -1.07 0.00 0.00 179.97 179.29 2jkv h ARG 408 N 0.58 0.49 -0.35 0.04 2.43 -0.75 -0.62 114.38 116.20 2jkv h ARG 408 Ca 0.12 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2jkv h ARG 408 Cb 0.41 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2jkv h ARG 408 CO 0.02 0.55 0.14 0.00 -1.51 0.00 0.00 179.97 179.16 2jkv h ALA 409 N 0.92 0.45 -0.17 2.80 0.00 -0.35 -1.50 119.26 121.41 2jkv h ALA 409 Ca 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2jkv h ALA 409 Cb 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2jkv h ALA 409 CO -0.00 0.05 0.04 0.28 0.00 0.00 0.00 179.25 179.62 2jkv h VAL 410 N 0.41 1.20 -0.79 0.00 2.07 -1.27 0.56 116.25 118.42 2jkv h VAL 410 Ca 0.12 -0.62 0.07 0.00 0.82 0.00 0.00 66.70 67.08 2jkv h VAL 410 Cb 0.18 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 2jkv h VAL 410 CO -0.01 0.19 0.47 0.28 0.02 0.00 0.00 177.57 178.52 2jkv h SER 411 N 0.09 0.72 -0.32 0.57 0.02 -1.04 0.13 113.55 113.72 2jkv h SER 411 Ca 0.05 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 2jkv h SER 411 Cb 0.25 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2jkv h SER 411 CO -0.00 0.46 -0.14 0.74 -1.14 0.00 0.00 176.83 176.75 2jkv h THR 412 N 0.85 1.29 -0.71 -2.27 2.02 -1.13 -1.71 112.91 111.26 2jkv h THR 412 Ca 0.35 -1.23 0.08 0.00 0.77 0.00 0.00 66.41 66.38 2jkv h THR 412 Cb 0.20 1.42 -0.07 0.00 -1.74 0.00 0.00 68.15 67.97 2jkv h THR 412 CO -0.19 0.40 0.37 1.23 0.37 0.00 0.00 175.52 177.70 2jkv h GLY 413 N 0.42 1.06 0.98 2.16 0.00 -0.14 0.21 103.07 107.76 2jkv h GLY 413 Ca 0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 2jkv h GLY 413 CO 0.04 0.10 0.23 -2.08 0.00 0.00 0.00 176.54 174.84 2jkv h VAL 414 N 0.65 1.21 -0.48 4.60 2.07 -0.58 -0.40 116.25 123.33 2jkv h VAL 414 Ca 0.34 -0.65 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 2jkv h VAL 414 Cb 0.30 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2jkv h VAL 414 CO -0.23 0.25 0.04 1.56 0.02 0.00 0.00 177.57 179.20 2jkv h GLN 415 N 0.74 0.76 0.00 1.57 1.08 -0.61 -2.69 115.11 115.96 2jkv h GLN 415 Ca 0.18 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2jkv h GLN 415 Cb 0.17 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 2jkv h GLN 415 CO -0.02 0.75 0.00 0.00 -0.95 0.00 0.00 178.83 178.61 2jkv h ALA 416 N 1.32 1.00 0.00 3.87 0.00 -0.64 -3.45 119.26 121.36 2jkv h ALA 416 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2jkv h ALA 416 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2jkv h ALA 416 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 2jkv n GLY 417 N 1.15 0.65 3.67 0.00 0.00 -0.43 -4.74 105.19 105.49 2jkv n GLY 417 Ca 0.05 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 2jkv n GLY 417 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jkv s ILE 418 N -2.00 5.09 -0.01 -0.61 -1.09 -0.29 -4.99 121.20 117.30 2jkv s ILE 418 Ca 0.00 1.05 -0.30 0.00 -2.23 0.00 0.00 60.65 59.18 2jkv s ILE 418 Cb 0.00 -3.88 -0.07 0.00 -1.58 0.00 0.00 42.46 36.93 2jkv s ILE 418 CO 0.00 0.18 1.83 -2.84 -1.23 0.00 0.00 174.94 172.88 2jkv s PRO 419 N 1.52 4.14 -0.45 2.79 0.02 -1.26 -4.56 135.00 137.20 2jkv s PRO 419 Ca 0.27 2.41 0.09 0.00 0.02 0.00 0.00 61.00 63.79 2jkv s PRO 419 Cb -0.16 -4.09 0.31 0.00 0.02 0.00 0.00 34.50 30.59 2jkv s PRO 419 CO 0.10 -0.93 0.73 -1.33 -0.33 0.00 0.00 177.00 175.24 2jkv n MET 420 N 7.38 1.58 -0.35 5.54 2.81 -1.26 -4.89 117.12 127.93 2jkv n MET 420 Ca 0.19 -3.82 0.03 0.00 -1.81 0.00 0.00 57.70 52.29 2jkv n MET 420 Cb 0.42 -1.77 0.20 0.00 -0.71 0.00 0.00 33.22 31.36 2jkv n MET 420 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 2jkv h PRO 421 N 3.39 1.10 0.22 0.03 0.11 -1.95 -1.35 132.00 133.55 2jkv h PRO 421 Ca 0.11 -0.07 -0.31 0.00 0.11 0.00 0.00 66.00 65.84 2jkv h PRO 421 Cb 0.81 -0.25 0.03 0.00 0.11 0.00 0.00 31.00 31.70 2jkv h PRO 421 CO 0.60 0.73 -1.40 0.00 -0.21 0.00 0.00 178.00 177.72 2jkv h PHE 423 N 0.03 0.53 -0.27 0.00 0.04 -1.91 -1.03 116.94 114.32 2jkv h PHE 423 Ca -0.25 0.01 -0.17 0.00 2.80 0.00 0.00 57.97 60.36 2jkv h PHE 423 Cb 2.05 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 40.02 2jkv h PHE 423 CO 0.14 0.32 -0.52 1.79 -0.60 0.00 0.00 178.31 179.44 2jkv h THR 424 N 0.57 1.29 -0.25 -1.55 1.35 -1.35 -2.03 112.91 110.93 2jkv h THR 424 Ca 0.17 -1.72 -0.12 0.00 -0.55 0.00 0.00 66.41 64.19 2jkv h THR 424 Cb -0.03 1.63 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 2jkv h THR 424 CO -0.06 0.56 -0.36 0.00 -0.25 0.00 0.00 175.52 175.41 2jkv h THR 425 N 0.62 1.29 -0.48 6.82 1.03 -1.31 0.10 112.91 120.99 2jkv h THR 425 Ca 0.02 -1.49 -0.03 0.00 -0.01 0.00 0.00 66.41 64.90 2jkv h THR 425 Cb 1.11 1.49 -0.02 0.00 -1.07 0.00 0.00 68.15 69.65 2jkv h THR 425 CO 0.11 0.47 0.19 0.00 -0.01 0.00 0.00 175.52 176.29 2jkv h ALA 426 N 1.14 0.62 -0.26 0.00 0.00 -1.06 -0.12 119.26 119.58 2jkv h ALA 426 Ca 0.05 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2jkv h ALA 426 Cb 0.84 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2jkv h ALA 426 CO 0.07 0.22 -0.12 1.25 0.00 0.00 0.00 179.25 180.67 2jkv h LEU 427 N 0.63 0.55 -0.93 0.00 5.85 -1.17 -1.49 115.31 118.75 2jkv h LEU 427 Ca 0.16 -0.41 0.08 0.00 0.84 0.00 0.00 57.88 58.55 2jkv h LEU 427 Cb 0.19 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.00 2jkv h LEU 427 CO -0.01 0.84 0.58 0.28 -0.34 0.00 0.00 178.44 179.78 2jkv h SER 428 N 0.26 0.90 -0.35 1.25 0.02 -0.68 0.02 113.55 114.96 2jkv h SER 428 Ca 0.06 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 2jkv h SER 428 Cb 0.63 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 2jkv h SER 428 CO 0.04 0.55 0.11 0.15 -1.14 0.00 0.00 176.83 176.53 2jkv h PHE 429 N 1.02 0.57 -0.20 3.45 3.57 -0.86 0.92 116.94 125.40 2jkv h PHE 429 Ca 0.42 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.87 2jkv h PHE 429 Cb 0.25 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 2jkv h PHE 429 CO -0.02 0.55 0.11 -0.92 -2.23 0.00 0.00 178.31 175.80 2jkv h TYR 430 N 0.41 0.20 -0.22 0.41 3.20 -0.49 0.22 116.97 120.70 2jkv h TYR 430 Ca 0.11 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.93 2jkv h TYR 430 Cb 0.26 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 2jkv h TYR 430 CO 0.01 0.11 -0.13 -0.44 -1.64 0.00 0.00 178.16 176.07 2jkv h ASP 431 N 0.22 0.35 -0.05 -2.11 3.32 -0.90 -2.09 116.42 115.17 2jkv h ASP 431 Ca 0.08 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2jkv h ASP 431 Cb 0.01 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2jkv h ASP 431 CO -0.05 0.52 -0.10 1.23 -1.72 0.00 0.00 179.24 179.12 2jkv h GLY 432 N 0.86 0.16 1.97 2.75 0.00 -0.32 -3.20 103.07 105.29 2jkv h GLY 432 Ca 0.07 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 2jkv h GLY 432 CO 0.03 0.17 -0.21 -1.82 0.00 0.00 0.00 176.54 174.71 2jkv h TYR 433 N -0.37 0.04 -0.00 5.60 3.20 -0.41 -2.59 116.97 122.44 2jkv h TYR 433 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2jkv h TYR 433 Cb 0.68 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.94 2jkv h TYR 433 CO 0.12 0.25 -0.29 2.89 -1.64 0.00 0.00 178.16 179.49 2jkv n ARG 434 N -4.27 0.10 -2.97 1.82 1.85 -0.80 -4.83 116.66 107.56 2jkv n ARG 434 Ca -0.02 -0.04 -0.41 0.00 -1.00 0.00 0.00 57.85 56.38 2jkv n ARG 434 Cb 0.28 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.14 2jkv n ARG 434 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 2jkv s HIS 435 N -2.93 3.38 0.20 2.89 3.76 -0.98 -4.96 115.29 116.65 2jkv s HIS 435 Ca 0.14 1.12 -0.05 0.00 -0.15 0.00 0.00 55.06 56.12 2jkv s HIS 435 Cb 0.18 -2.95 0.15 0.00 1.11 0.00 0.00 32.58 31.07 2jkv s HIS 435 CO 0.62 -0.26 1.61 1.49 -0.85 0.00 0.00 174.74 177.34 2jkv h GLU 436 N 7.47 0.79 -5.42 1.40 4.81 -1.88 -3.42 114.58 118.33 2jkv h GLU 436 Ca -0.28 -0.33 -0.66 0.00 -0.13 0.00 0.00 59.36 57.95 2jkv h GLU 436 Cb 1.13 -0.03 -0.26 0.00 0.63 0.00 0.00 28.75 30.22 2jkv h GLU 436 CO 0.82 0.96 -0.75 -1.64 -0.73 0.00 0.00 179.01 177.67 2jkv s MET 437 N -4.57 3.34 0.22 1.92 -1.94 -1.26 -5.12 119.30 111.89 2jkv s MET 437 Ca -0.09 -0.66 0.10 0.00 -1.71 0.00 0.00 55.69 53.33 2jkv s MET 437 Cb 0.13 -2.65 -0.05 0.00 2.01 0.00 0.00 34.83 34.27 2jkv s MET 437 CO 0.84 0.26 -0.19 -0.51 -0.01 0.00 0.00 175.02 175.42 2jkv s LEU 438 N 0.23 2.51 0.00 -0.03 1.43 -1.26 -5.03 118.68 116.53 2jkv s LEU 438 Ca -0.08 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 2jkv s LEU 438 Cb -0.15 -0.94 0.00 0.00 0.03 0.00 0.00 46.19 45.13 2jkv s LEU 438 CO 0.05 -0.01 0.64 -0.81 0.23 0.00 0.00 176.35 176.45 2jkv n PRO 439 N -0.15 0.66 0.30 1.29 -0.04 -1.26 -3.70 135.00 132.09 2jkv n PRO 439 Ca -0.09 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.54 2jkv n PRO 439 Cb 0.59 -1.02 0.95 0.00 -0.04 0.00 0.00 33.50 33.98 2jkv n PRO 439 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jkv h ALA 440 N 2.29 1.21 -0.60 0.55 0.00 -2.00 -0.65 119.26 120.05 2jkv h ALA 440 Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2jkv h ALA 440 Cb 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2jkv h ALA 440 CO 0.00 0.04 0.39 0.66 0.00 0.00 0.00 179.25 180.35 2jkv h SER 441 N 0.00 0.58 -0.71 0.00 4.64 -2.00 0.08 113.55 116.13 2jkv h SER 441 Ca -0.00 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2jkv h SER 441 Cb 0.16 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 2jkv h SER 441 CO 0.00 0.39 0.22 0.25 -0.87 0.00 0.00 176.83 176.83 2jkv h LEU 442 N 0.67 1.04 -0.49 5.97 5.85 -1.42 -0.80 115.31 126.12 2jkv h LEU 442 Ca 0.24 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.78 2jkv h LEU 442 Cb 0.14 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 2jkv h LEU 442 CO -0.07 0.96 0.32 0.40 -0.34 0.00 0.00 178.44 179.72 2jkv h ILE 443 N 1.07 1.12 -0.87 4.05 2.04 -1.08 -0.16 117.51 123.68 2jkv h ILE 443 Ca 0.23 -0.23 0.04 0.00 1.00 0.00 0.00 64.86 65.91 2jkv h ILE 443 Cb 0.30 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 2jkv h ILE 443 CO -0.01 0.12 0.56 1.56 0.00 0.00 0.00 178.15 180.38 2jkv h GLN 444 N 0.66 1.02 -0.58 2.37 1.08 -0.90 -1.19 115.11 117.58 2jkv h GLN 444 Ca 0.18 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.22 2jkv h GLN 444 Cb -0.07 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.11 2jkv h GLN 444 CO -0.05 0.68 -0.03 0.00 -0.95 0.00 0.00 178.83 178.48 2jkv h ALA 445 N 1.38 0.78 -0.30 3.87 0.00 -0.56 -1.61 119.26 122.82 2jkv h ALA 445 Ca 0.36 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2jkv h ALA 445 Cb 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2jkv h ALA 445 CO -0.14 0.64 0.06 1.96 0.00 0.00 0.00 179.25 181.77 2jkv h GLN 446 N 0.92 0.48 -0.76 0.00 4.20 -0.71 -0.69 115.11 118.56 2jkv h GLN 446 Ca 0.16 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 2jkv h GLN 446 Cb 0.59 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 2jkv h GLN 446 CO 0.04 0.57 0.37 0.00 -0.67 0.00 0.00 178.83 179.13 2jkv h ARG 447 N 0.32 1.10 -0.05 1.46 3.08 -1.09 -0.39 114.38 118.80 2jkv h ARG 447 Ca 0.09 -0.16 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 2jkv h ARG 447 Cb 0.31 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2jkv h ARG 447 CO 0.00 0.85 -0.48 0.22 -1.07 0.00 0.00 179.97 179.49 2jkv h ASP 448 N 1.07 0.12 -0.03 7.04 3.58 -1.16 0.47 116.42 127.52 2jkv h ASP 448 Ca 0.26 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 2jkv h ASP 448 Cb 0.11 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.13 2jkv h ASP 448 CO -0.03 0.59 -0.02 0.22 -2.88 0.00 0.00 179.24 177.11 2jkv h TYR 449 N 0.09 0.08 0.00 0.28 5.03 -0.16 -2.11 116.97 120.18 2jkv h TYR 449 Ca 0.00 -0.02 -0.21 0.00 2.58 0.00 0.00 58.73 61.08 2jkv h TYR 449 Cb 0.88 -0.02 -0.04 0.00 1.55 0.00 0.00 36.73 39.11 2jkv h TYR 449 CO 0.01 0.51 -1.75 1.97 -1.32 0.00 0.00 178.16 177.58 2jkv n PHE 450 N -4.82 0.65 -0.04 -3.82 1.16 -0.25 -4.54 117.46 105.81 2jkv n PHE 450 Ca -0.08 0.22 0.00 0.00 -1.87 0.00 0.00 57.45 55.72 2jkv n PHE 450 Cb 0.26 -1.01 0.00 0.00 -1.61 0.00 0.00 39.48 37.11 2jkv n PHE 450 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2jkv n GLY 451 N 1.48 -1.38 3.80 4.97 0.00 0.12 -5.01 105.19 109.17 2jkv n GLY 451 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 2jkv n GLY 451 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jkv n ALA 452 N -0.00 -1.28 1.04 4.61 0.00 -0.79 -4.34 120.51 119.74 2jkv n ALA 452 Ca 0.00 0.26 0.13 0.00 0.00 0.00 0.00 53.44 53.83 2jkv n ALA 452 Cb 0.01 -4.79 0.61 0.00 0.00 0.00 0.00 19.45 15.27 2jkv n ALA 452 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2jkv n HIS 453 N -4.78 0.00 -0.61 0.00 8.25 -1.18 -1.49 115.22 115.41 2jkv n HIS 453 Ca 0.03 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.56 2jkv n HIS 453 Cb 0.54 -0.43 -0.04 0.00 1.12 0.00 0.00 29.99 31.18 2jkv n HIS 453 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2jkv n THR 454 N -1.43 -0.49 -4.06 1.59 -2.24 -1.26 -4.47 114.28 101.92 2jkv n THR 454 Ca 0.09 0.43 -0.12 0.00 -2.27 0.00 0.00 64.05 62.17 2jkv n THR 454 Cb 0.28 -0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 67.81 2jkv n THR 454 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2jkv s TYR 455 N -3.66 0.81 0.20 4.78 -0.85 0.11 -4.75 117.35 113.99 2jkv s TYR 455 Ca 0.00 -1.10 0.10 0.00 -0.52 0.00 0.00 57.07 55.56 2jkv s TYR 455 Cb 0.00 -0.02 -0.04 0.00 0.38 0.00 0.00 41.96 42.27 2jkv s TYR 455 CO 0.00 -1.04 -0.20 -1.83 -1.52 0.00 0.00 175.55 170.96 2jkv s GLU 456 N -3.50 1.45 0.19 -3.49 -1.05 -1.26 -0.04 118.70 111.00 2jkv s GLU 456 Ca 0.28 -1.55 -0.19 0.00 -0.15 0.00 0.00 54.97 53.37 2jkv s GLU 456 Cb 0.00 -1.57 -0.08 0.00 -0.44 0.00 0.00 34.13 32.04 2jkv s GLU 456 CO 0.15 0.32 0.67 -0.51 0.95 0.00 0.00 175.26 176.84 2jkv s LEU 457 N -2.93 4.37 0.24 1.83 1.43 -1.26 -4.97 118.68 117.39 2jkv s LEU 457 Ca 0.21 1.34 -0.06 0.00 -1.03 0.00 0.00 54.13 54.59 2jkv s LEU 457 Cb -0.06 -3.43 0.44 0.00 0.03 0.00 0.00 46.19 43.17 2jkv s LEU 457 CO 0.10 0.08 1.66 -0.07 0.23 0.00 0.00 176.35 178.35 2jkv h LEU 458 N 3.61 -0.18 -0.67 1.79 3.38 -2.00 -2.12 115.31 119.12 2jkv h LEU 458 Ca -0.48 0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2jkv h LEU 458 Cb 1.20 0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.22 2jkv h LEU 458 CO 0.65 -0.12 0.00 0.00 0.09 0.00 0.00 178.44 179.06 2jkv n ALA 459 N -2.80 1.68 -3.03 1.53 0.00 -1.26 -4.03 120.51 112.60 2jkv n ALA 459 Ca 0.14 0.08 -0.17 0.00 0.00 0.00 0.00 53.44 53.48 2jkv n ALA 459 Cb 0.46 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 2jkv n ALA 459 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2jkv n LYS 460 N -2.23 0.66 -1.94 0.00 3.00 -0.81 -5.13 118.16 111.72 2jkv n LYS 460 Ca 0.02 -2.63 -0.37 0.00 -0.00 0.00 0.00 58.31 55.34 2jkv n LYS 460 Cb 0.23 -1.37 0.04 0.00 0.00 0.00 0.00 35.03 33.93 2jkv n LYS 460 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 2jkv s PRO 461 N -0.26 3.05 0.00 1.64 0.02 -1.17 -3.18 135.00 135.11 2jkv s PRO 461 Ca 0.33 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.32 2jkv s PRO 461 Cb 0.16 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.62 2jkv s PRO 461 CO -0.16 -1.18 0.00 0.41 -0.33 0.00 0.00 177.00 175.74 2jkv n GLY 462 N 0.63 3.41 3.50 0.52 0.00 -1.26 -5.03 105.19 106.95 2jkv n GLY 462 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2jkv n GLY 462 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jkv s GLN 463 N -0.82 3.54 -0.07 1.61 0.74 -1.19 -5.08 119.66 118.40 2jkv s GLN 463 Ca 0.00 -0.59 -0.11 0.00 0.05 0.00 0.00 55.36 54.71 2jkv s GLN 463 Cb 0.00 -3.64 -0.05 0.00 1.10 0.00 0.00 33.01 30.43 2jkv s GLN 463 CO 0.00 -0.35 0.27 -0.06 -0.55 0.00 0.00 175.29 174.60 2jkv s PHE 464 N 1.68 3.65 0.05 1.67 0.40 -1.26 -4.37 117.98 119.80 2jkv s PHE 464 Ca 0.06 0.75 0.07 0.00 -0.60 0.00 0.00 56.93 57.20 2jkv s PHE 464 Cb -0.17 -2.12 -0.03 0.00 0.51 0.00 0.00 43.02 41.22 2jkv s PHE 464 CO 0.08 0.68 -0.19 0.42 0.70 0.00 0.00 175.22 176.91 2jkv s ILE 465 N -0.99 1.53 -0.13 0.64 1.01 0.94 -4.87 121.20 119.32 2jkv s ILE 465 Ca 0.19 -1.18 0.00 0.00 0.00 0.00 0.00 60.65 59.66 2jkv s ILE 465 Cb -0.14 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 40.97 2jkv s ILE 465 CO 0.08 0.13 -0.14 -2.28 0.00 0.00 0.00 174.94 172.73 2jkv s HIS 466 N -0.85 2.80 -0.07 3.97 5.65 -1.26 -0.72 115.29 124.82 2jkv s HIS 466 Ca 0.06 -0.67 -0.00 0.00 0.25 0.00 0.00 55.06 54.69 2jkv s HIS 466 Cb -0.09 -1.84 -0.03 0.00 -1.18 0.00 0.00 32.58 29.44 2jkv s HIS 466 CO 0.02 -0.23 -0.02 0.99 -0.65 0.00 0.00 174.74 174.85 2jkv s THR 467 N 0.36 4.09 -1.41 0.89 2.01 -1.26 -5.03 115.64 115.30 2jkv s THR 467 Ca -0.11 -0.37 -0.15 0.00 0.31 0.00 0.00 61.69 61.37 2jkv s THR 467 Cb -0.16 -2.72 0.06 0.00 0.01 0.00 0.00 72.50 69.69 2jkv s THR 467 CO 0.06 0.57 2.07 -3.20 -0.69 0.00 0.00 174.62 173.43 2jkv n ASN 468 N 2.06 4.23 -0.17 3.53 5.15 -1.26 -4.82 115.26 123.98 2jkv n ASN 468 Ca -0.18 -2.88 -0.02 0.00 -0.60 0.00 0.00 54.58 50.91 2jkv n ASN 468 Cb 0.53 -1.68 0.08 0.00 -0.53 0.00 0.00 39.78 38.19 2jkv n ASN 468 CO 0.00 0.00 0.00 -0.50 1.40 0.00 0.00 177.26 178.16 2jkv h TRP 469 N 6.43 0.24 0.00 1.20 4.06 -1.92 -1.93 115.95 124.04 2jkv h TRP 469 Ca 0.53 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.51 2jkv h TRP 469 Cb 0.71 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.84 2jkv h TRP 469 CO 1.44 0.03 -0.01 1.79 -3.56 0.00 0.00 178.44 178.13 2jkv h THR 470 N 0.30 0.00 0.00 1.49 1.35 -1.92 -3.47 112.91 110.66 2jkv h THR 470 Ca 0.27 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 2jkv h THR 470 Cb 0.34 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 2jkv h THR 470 CO -0.31 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.57 2jkv n GLY 471 N 1.11 1.14 0.00 5.82 0.00 -0.73 -4.83 105.19 107.70 2jkv n GLY 471 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2jkv n GLY 471 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jkv n HIS 472 N -2.00 0.00 -2.11 1.61 8.25 -1.26 -5.08 115.22 114.64 2jkv n HIS 472 Ca 0.00 -0.18 -0.28 0.00 -0.26 0.00 0.00 57.72 57.00 2jkv n HIS 472 Cb 0.00 -0.02 0.13 0.00 1.12 0.00 0.00 29.99 31.22 2jkv n HIS 472 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2jkv s GLY 473 N -0.36 1.73 0.39 -1.41 0.00 -1.26 -5.10 107.32 101.31 2jkv s GLY 473 Ca 0.00 -1.15 -0.03 0.00 0.00 0.00 0.00 44.72 43.53 2jkv s GLY 473 CO 0.00 -0.54 0.53 0.61 0.00 0.00 0.00 173.10 173.70 2jkv n GLY 474 N -3.34 -0.13 0.03 0.20 0.00 -1.26 -5.03 105.19 95.66 2jkv n GLY 474 Ca 0.12 -1.86 0.04 0.00 0.00 0.00 0.00 46.02 44.32 2jkv n GLY 474 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jkv n THR 475 N -2.40 0.39 -2.32 2.61 -2.24 -1.26 -4.90 114.28 104.16 2jkv n THR 475 Ca 0.08 -0.53 -0.43 0.00 -2.27 0.00 0.00 64.05 60.90 2jkv n THR 475 Cb 0.27 -0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 2jkv n THR 475 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2jkv s VAL 476 N -3.02 4.06 0.42 2.28 1.01 -1.26 -5.00 120.40 118.90 2jkv s VAL 476 Ca -0.07 1.26 0.04 0.00 0.00 0.00 0.00 61.98 63.20 2jkv s VAL 476 Cb 0.10 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.61 2jkv s VAL 476 CO 0.76 -0.22 0.33 -1.54 0.00 0.00 0.00 175.10 174.43 2jkv n SER 477 N 7.18 2.30 -4.89 3.32 3.41 -1.26 -5.05 113.62 118.62 2jkv n SER 477 Ca 0.15 -2.43 -0.29 0.00 -0.26 0.00 0.00 58.87 56.04 2jkv n SER 477 Cb 0.45 -0.05 0.06 0.00 -0.26 0.00 0.00 64.21 64.41 2jkv n SER 477 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2jkv s SER 478 N -3.49 5.19 0.56 4.04 0.15 -0.56 -5.07 113.70 114.53 2jkv s SER 478 Ca 0.25 0.98 -0.10 0.00 0.70 0.00 0.00 55.95 57.78 2jkv s SER 478 Cb -0.02 -1.71 -0.04 0.00 -1.71 0.00 0.00 66.02 62.54 2jkv s SER 478 CO 0.16 -1.47 0.95 -0.94 1.20 0.00 0.00 173.24 173.14 2jkv s SER 479 N -4.42 6.29 -0.41 5.45 1.04 -1.26 -4.78 113.70 115.61 2jkv s SER 479 Ca 0.59 1.29 -0.18 0.00 0.48 0.00 0.00 55.95 58.13 2jkv s SER 479 Cb -0.11 -2.41 0.02 0.00 0.10 0.00 0.00 66.02 63.62 2jkv s SER 479 CO 0.50 -0.75 0.48 -0.44 0.98 0.00 0.00 173.24 174.01 2jkv s SER 480 N -4.01 6.23 0.10 7.02 0.01 -1.26 -4.89 113.70 116.90 2jkv s SER 480 Ca 0.53 -0.49 -0.23 0.00 1.31 0.00 0.00 55.95 57.07 2jkv s SER 480 Cb -0.11 -2.24 0.06 0.00 0.21 0.00 0.00 66.02 63.94 2jkv s SER 480 CO 0.49 -0.58 0.56 -0.72 0.41 0.00 0.00 173.24 173.40 2jkv s TYR 481 N 2.28 -0.48 0.26 2.43 -0.85 -1.26 -5.17 117.35 114.56 2jkv s TYR 481 Ca 0.15 0.40 0.10 0.00 -0.52 0.00 0.00 57.07 57.19 2jkv s TYR 481 Cb -0.16 0.45 -0.04 0.00 0.38 0.00 0.00 41.96 42.58 2jkv s TYR 481 CO 0.14 -0.75 -0.02 -0.80 -1.52 0.00 0.00 175.55 172.60 2jkv s ASN 482 N -2.39 4.47 0.00 -0.18 0.01 -1.26 -5.20 114.94 110.39 2jkv s ASN 482 Ca -0.02 -0.67 0.00 0.00 -0.71 0.00 0.00 52.86 51.47 2jkv s ASN 482 Cb -0.00 -0.80 0.00 0.00 0.41 0.00 0.00 41.25 40.85 2jkv s ASN 482 CO -0.07 0.01 0.00 0.00 -1.51 0.00 0.00 177.10 175.53