#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jkz s LYS 6 N 0.00 3.57 -0.30 -0.67 1.02 -1.26 -4.36 119.74 117.73 2jkz s LYS 6 Ca 0.00 -0.06 -0.03 0.00 0.02 0.00 0.00 55.97 55.90 2jkz s LYS 6 Cb 0.00 -2.59 0.04 0.00 -0.52 0.00 0.00 37.83 34.76 2jkz s LYS 6 CO 0.00 0.10 0.02 -0.65 -0.92 0.00 0.00 175.35 173.90 2jkz s GLN 7 N -4.07 2.55 -0.15 1.68 -1.52 -0.50 -5.01 119.66 112.63 2jkz s GLN 7 Ca 0.43 -1.20 -0.24 0.00 -1.95 0.00 0.00 55.36 52.41 2jkz s GLN 7 Cb -0.10 -3.24 -0.02 0.00 -0.22 0.00 0.00 33.01 29.43 2jkz s GLN 7 CO 0.35 -0.60 0.77 0.71 -0.25 0.00 0.00 175.29 176.27 2jkz s TYR 8 N 1.31 3.44 -0.16 0.91 2.02 -1.26 -1.10 117.35 122.50 2jkz s TYR 8 Ca -0.04 1.19 -0.04 0.00 -0.37 0.00 0.00 57.07 57.81 2jkz s TYR 8 Cb -0.19 -2.93 -0.03 0.00 -0.40 0.00 0.00 41.96 38.41 2jkz s TYR 8 CO -0.00 -0.16 -0.03 0.42 -1.57 0.00 0.00 175.55 174.20 2jkz s ILE 9 N 1.84 3.91 0.46 2.71 -1.09 -0.80 -4.19 121.20 124.03 2jkz s ILE 9 Ca 0.36 -0.35 -0.06 0.00 -2.23 0.00 0.00 60.65 58.38 2jkz s ILE 9 Cb -0.17 -2.72 -0.04 0.00 -1.58 0.00 0.00 42.46 37.95 2jkz s ILE 9 CO 0.13 0.48 0.77 -0.94 -1.23 0.00 0.00 174.94 174.15 2jkz s SER 10 N 0.46 6.30 0.09 3.58 1.04 -1.20 -2.83 113.70 121.14 2jkz s SER 10 Ca -0.03 0.93 -0.27 0.00 0.48 0.00 0.00 55.95 57.06 2jkz s SER 10 Cb -0.14 -2.25 -0.14 0.00 0.10 0.00 0.00 66.02 63.59 2jkz s SER 10 CO 0.03 -0.53 1.67 1.88 0.98 0.00 0.00 173.24 177.27 2jkz h TYR 11 N 0.43 -0.48 -0.61 5.02 0.05 -1.95 -1.86 116.97 117.58 2jkz h TYR 11 Ca -0.47 -0.00 0.18 0.00 0.05 0.00 0.00 58.73 58.48 2jkz h TYR 11 Cb 1.20 0.18 -0.02 0.00 1.01 0.00 0.00 36.73 39.09 2jkz h TYR 11 CO 0.58 -0.28 0.49 -0.91 -1.05 0.00 0.00 178.16 177.00 2jkz h ASN 12 N -0.44 0.00 0.07 3.88 4.21 -1.94 0.01 115.58 121.37 2jkz h ASN 12 Ca -0.02 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.49 2jkz h ASN 12 Cb 0.38 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.58 2jkz h ASN 12 CO 0.00 0.00 -0.03 -1.13 -1.29 0.00 0.00 177.43 174.98 2jkz h ASN 13 N 0.00 -0.08 -0.94 5.81 -0.73 -1.60 -2.03 115.58 116.01 2jkz h ASN 13 Ca 0.29 -0.51 0.21 0.00 1.87 0.00 0.00 56.30 58.16 2jkz h ASN 13 Cb 1.27 0.02 -0.08 0.00 0.27 0.00 0.00 38.32 39.80 2jkz h ASN 13 CO -0.00 0.51 0.61 0.58 -0.37 0.00 0.00 177.43 178.76 2jkz h VAL 14 N -0.71 0.67 -0.23 2.57 2.07 -0.50 0.66 116.25 120.80 2jkz h VAL 14 Ca -0.01 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 2jkz h VAL 14 Cb 0.58 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2jkz h VAL 14 CO 0.02 0.09 0.04 -0.74 0.02 0.00 0.00 177.57 177.00 2jkz h HIS 15 N 0.50 0.39 -0.01 1.57 -0.00 -0.87 -2.37 115.15 114.36 2jkz h HIS 15 Ca 0.51 -0.05 -0.11 0.00 -0.00 0.00 0.00 60.37 60.71 2jkz h HIS 15 Cb 1.14 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 28.42 2jkz h HIS 15 CO -0.00 0.49 -0.52 1.96 -0.00 0.00 0.00 177.93 179.86 2jkz h GLN 16 N 0.18 0.02 -0.30 5.26 4.20 -0.35 -1.44 115.11 122.67 2jkz h GLN 16 Ca 0.07 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 2jkz h GLN 16 Cb 0.31 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 2jkz h GLN 16 CO 0.00 0.53 0.14 -0.07 -0.67 0.00 0.00 178.83 178.77 2jkz h LEU 17 N 0.01 0.40 -0.33 1.46 3.38 -0.81 -1.41 115.31 118.02 2jkz h LEU 17 Ca -0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2jkz h LEU 17 Cb 0.92 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2jkz h LEU 17 CO 0.07 0.42 0.22 0.00 0.09 0.00 0.00 178.44 179.24 2jkz h GLN 19 N 0.44 -0.42 -0.52 0.00 4.15 -0.73 0.48 115.11 118.51 2jkz h GLN 19 Ca 0.12 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.53 2jkz h GLN 19 Cb -0.05 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 2jkz h GLN 19 CO -0.03 -0.28 0.18 -0.39 -1.93 0.00 0.00 178.83 176.39 2jkz h VAL 20 N -0.43 1.23 0.00 2.39 -1.51 -1.21 -2.34 116.25 114.38 2jkz h VAL 20 Ca 0.10 -0.74 -0.03 0.00 -1.23 0.00 0.00 66.70 64.80 2jkz h VAL 20 Cb 0.60 0.72 -0.00 0.00 -2.13 0.00 0.00 31.29 30.48 2jkz h VAL 20 CO -0.44 0.28 -0.12 0.28 -1.23 0.00 0.00 177.57 176.34 2jkz h SER 21 N 0.71 0.00 -0.91 4.19 0.02 -0.80 -2.75 113.55 114.02 2jkz h SER 21 Ca 0.17 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 61.29 2jkz h SER 21 Cb 0.24 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.68 2jkz h SER 21 CO -0.01 0.12 0.49 0.00 -1.14 0.00 0.00 176.83 176.29 2jkz h ALA 22 N 1.88 1.43 0.78 3.77 0.00 0.53 -1.95 119.26 125.70 2jkz h ALA 22 Ca -0.00 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2jkz h ALA 22 Cb 0.25 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.04 2jkz h ALA 22 CO 0.02 -0.12 -0.37 0.93 0.00 0.00 0.00 179.25 179.70 2jkz h GLU 23 N 0.63 -1.01 -0.82 0.00 4.39 -1.60 -1.52 114.58 114.65 2jkz h GLU 23 Ca 0.52 0.07 0.18 0.00 0.34 0.00 0.00 59.36 60.46 2jkz h GLU 23 Cb 0.80 0.23 -0.11 0.00 -0.10 0.00 0.00 28.75 29.57 2jkz h GLU 23 CO -0.40 -0.67 0.34 0.00 -1.16 0.00 0.00 179.01 177.12 2jkz h ARG 24 N -1.17 0.41 -0.00 2.33 3.08 -1.67 0.39 114.38 117.75 2jkz h ARG 24 Ca -0.11 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 2jkz h ARG 24 Cb 0.80 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.76 2jkz h ARG 24 CO 0.18 0.27 -0.07 0.82 -1.07 0.00 0.00 179.97 180.10 2jkz h ILE 25 N 0.42 1.05 0.00 2.04 2.04 -1.29 -2.66 117.51 119.12 2jkz h ILE 25 Ca 0.48 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 66.09 2jkz h ILE 25 Cb 0.82 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 2jkz h ILE 25 CO -0.47 0.07 0.13 0.11 0.00 0.00 0.00 178.15 177.99 2jkz h LYS 26 N 0.00 0.00 0.13 2.37 1.57 0.87 -2.70 116.57 118.82 2jkz h LYS 26 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2jkz h LYS 26 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2jkz h LYS 26 CO 0.01 0.00 -0.06 -0.91 -0.57 0.00 0.00 179.45 177.92 2jkz h ASN 27 N 0.00 -0.15 -0.59 0.86 2.35 -1.57 -3.23 115.58 113.25 2jkz h ASN 27 Ca 0.00 0.01 0.17 0.00 -0.55 0.00 0.00 56.30 55.93 2jkz h ASN 27 Cb 0.26 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 2jkz h ASN 27 CO 0.00 0.06 0.89 0.33 -1.65 0.00 0.00 177.43 177.07 2jkz n PHE 28 N -3.44 0.00 -3.65 1.19 7.35 -1.02 -4.74 117.46 113.16 2jkz n PHE 28 Ca -0.02 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.46 2jkz n PHE 28 Cb 0.07 -0.15 0.00 0.00 0.35 0.00 0.00 39.48 39.75 2jkz n PHE 28 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 2jkz n LYS 29 N -2.59 -1.43 -2.00 -4.13 4.81 -1.22 -4.87 118.16 106.73 2jkz n LYS 29 Ca 0.13 0.87 -0.40 0.00 -0.87 0.00 0.00 58.31 58.05 2jkz n LYS 29 Cb 1.07 -3.09 -0.00 0.00 0.02 0.00 0.00 35.03 33.03 2jkz n LYS 29 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2jkz s PRO 30 N -4.68 3.91 -0.06 1.64 0.04 -1.26 -4.73 135.00 129.85 2jkz s PRO 30 Ca 0.04 2.21 0.20 0.00 0.04 0.00 0.00 61.00 63.49 2jkz s PRO 30 Cb -0.02 -2.73 -0.27 0.00 0.04 0.00 0.00 34.50 31.52 2jkz s PRO 30 CO 0.87 -0.56 0.43 -0.25 0.04 0.00 0.00 177.00 177.53 2jkz n ASP 31 N 0.06 0.15 -3.49 6.66 9.92 0.21 -4.97 116.55 125.09 2jkz n ASP 31 Ca 0.04 0.06 -0.11 0.00 -0.53 0.00 0.00 54.79 54.26 2jkz n ASP 31 Cb 0.43 1.40 -0.03 0.00 -0.64 0.00 0.00 41.12 42.29 2jkz n ASP 31 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 2jkz s LEU 32 N -5.00 -0.45 -0.08 0.64 2.34 -1.23 -4.47 118.68 110.44 2jkz s LEU 32 Ca -0.08 0.12 0.04 0.00 0.06 0.00 0.00 54.13 54.27 2jkz s LEU 32 Cb 0.11 2.22 -0.02 0.00 -0.56 0.00 0.00 46.19 47.94 2jkz s LEU 32 CO 0.87 -0.68 -0.19 -0.63 -1.06 0.00 0.00 176.35 174.66 2jkz s ILE 33 N -2.87 2.60 -0.21 1.48 1.01 0.12 -2.07 121.20 121.27 2jkz s ILE 33 Ca 0.01 -0.86 -0.00 0.00 0.00 0.00 0.00 60.65 59.80 2jkz s ILE 33 Cb -0.01 -2.01 0.02 0.00 0.01 0.00 0.00 42.46 40.47 2jkz s ILE 33 CO -0.07 0.56 -0.13 -0.63 0.00 0.00 0.00 174.94 174.67 2jkz s ILE 34 N -0.17 2.52 -0.19 2.92 1.01 -0.34 0.09 121.20 127.04 2jkz s ILE 34 Ca -0.02 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 59.65 2jkz s ILE 34 Cb -0.14 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 2jkz s ILE 34 CO 0.04 0.41 0.08 0.00 0.00 0.00 0.00 174.94 175.47 2jkz s ALA 35 N 1.33 3.50 -0.36 9.38 0.00 0.12 -0.85 121.76 134.88 2jkz s ALA 35 Ca 0.03 -0.73 -0.24 0.00 0.00 0.00 0.00 51.96 51.03 2jkz s ALA 35 Cb -0.14 -1.99 0.01 0.00 0.00 0.00 0.00 23.12 20.99 2jkz s ALA 35 CO -0.09 0.18 0.84 0.42 0.00 0.00 0.00 175.76 177.11 2jkz s ILE 36 N 0.34 4.68 0.10 0.00 1.01 -0.02 -0.91 121.20 126.40 2jkz s ILE 36 Ca 0.05 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.72 2jkz s ILE 36 Cb -0.12 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.10 2jkz s ILE 36 CO -0.01 -0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.09 2jkz n GLY 37 N 4.44 -1.35 0.13 6.18 0.00 0.40 -1.35 105.19 113.65 2jkz n GLY 37 Ca 0.05 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2jkz n GLY 37 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jkz h GLY 38 N -0.40 0.00 0.55 -0.02 0.00 -1.91 -2.82 103.07 98.47 2jkz h GLY 38 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.40 2jkz h GLY 38 CO 0.00 0.00 0.13 -1.33 0.00 0.00 0.00 176.54 175.34 2jkz h GLY 39 N 2.85 0.55 1.90 4.60 0.00 -1.99 -1.67 103.07 109.31 2jkz h GLY 39 Ca -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 2jkz h GLY 39 CO 0.08 -0.00 -0.23 -1.33 0.00 0.00 0.00 176.54 175.06 2jkz h GLY 40 N 0.28 0.00 0.71 4.60 0.00 -1.23 -3.34 103.07 104.10 2jkz h GLY 40 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 2jkz h GLY 40 CO -0.23 0.00 -0.09 -2.75 0.00 0.00 0.00 176.54 173.47 2jkz h PHE 41 N 0.00 -0.24 -0.33 5.60 3.04 -1.05 -1.70 116.94 122.25 2jkz h PHE 41 Ca -0.00 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.01 2jkz h PHE 41 Cb 1.11 0.08 -0.08 0.00 2.56 0.00 0.00 35.95 39.61 2jkz h PHE 41 CO 0.00 0.07 -0.27 0.82 -2.02 0.00 0.00 178.31 176.90 2jkz h ILE 42 N -0.55 0.32 -0.27 1.41 2.04 -1.60 0.30 117.51 119.16 2jkz h ILE 42 Ca -0.03 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.75 2jkz h ILE 42 Cb 0.41 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2jkz h ILE 42 CO 0.04 0.00 -0.20 1.55 0.00 0.00 0.00 178.15 179.55 2jkz h PRO 43 N -0.24 0.49 -0.33 2.37 0.13 -1.74 -2.15 132.00 130.54 2jkz h PRO 43 Ca 0.16 -0.16 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 2jkz h PRO 43 Cb 0.50 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.57 2jkz h PRO 43 CO -0.47 0.66 0.19 0.00 -0.23 0.00 0.00 178.00 178.16 2jkz h ALA 44 N 1.35 0.41 -0.56 -0.56 0.00 -0.20 0.35 119.26 120.05 2jkz h ALA 44 Ca 0.07 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2jkz h ALA 44 Cb 0.59 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2jkz h ALA 44 CO 0.04 -0.16 0.36 -0.09 0.00 0.00 0.00 179.25 179.40 2jkz h ARG 45 N 0.40 0.71 0.17 0.00 9.65 -0.14 -1.49 114.38 123.67 2jkz h ARG 45 Ca 0.13 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.96 2jkz h ARG 45 Cb -0.01 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.41 2jkz h ARG 45 CO -0.05 0.47 -0.08 0.82 2.80 0.00 0.00 179.97 183.92 2jkz h ILE 46 N 0.73 0.90 -1.12 1.20 2.04 -0.99 -2.48 117.51 117.80 2jkz h ILE 46 Ca 0.22 -0.30 0.33 0.00 1.00 0.00 0.00 64.86 66.12 2jkz h ILE 46 Cb -0.04 1.09 -0.12 0.00 -0.74 0.00 0.00 36.82 37.00 2jkz h ILE 46 CO -0.07 0.07 0.70 0.25 0.00 0.00 0.00 178.15 179.10 2jkz h LEU 47 N -0.36 0.41 0.00 1.44 7.12 0.01 0.64 115.31 124.56 2jkz h LEU 47 Ca -0.02 0.13 -0.00 0.00 0.13 0.00 0.00 57.88 58.12 2jkz h LEU 47 Cb 0.28 0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.50 2jkz h LEU 47 CO 0.04 -0.06 -0.00 -0.09 -0.13 0.00 0.00 178.44 178.19 2jkz h ARG 48 N 0.28 -0.00 -1.11 1.25 2.43 -0.80 -2.73 114.38 113.70 2jkz h ARG 48 Ca 0.71 0.00 0.31 0.00 -0.81 0.00 0.00 59.98 60.19 2jkz h ARG 48 Cb 1.88 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 31.33 2jkz h ARG 48 CO -0.43 0.13 0.72 1.15 -1.51 0.00 0.00 179.97 180.02 2jkz h THR 49 N -0.13 0.41 0.00 0.20 2.02 -0.80 0.23 112.91 114.84 2jkz h THR 49 Ca -0.00 -0.10 -0.11 0.00 0.77 0.00 0.00 66.41 66.96 2jkz h THR 49 Cb 0.13 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 2jkz h THR 49 CO 0.00 0.05 -0.58 -0.26 0.37 0.00 0.00 175.52 175.11 2jkz h PHE 50 N 0.30 0.00 -0.00 3.16 0.04 -1.46 -3.28 116.94 115.70 2jkz h PHE 50 Ca 0.66 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.43 2jkz h PHE 50 Cb 1.81 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.96 2jkz h PHE 50 CO -0.00 0.52 -0.01 1.28 -0.60 0.00 0.00 178.31 179.50 2jkz n LEU 51 N -3.21 0.47 -4.67 1.54 4.77 0.80 -4.86 117.00 111.84 2jkz n LEU 51 Ca 0.01 -0.13 -0.42 0.00 -0.03 0.00 0.00 56.01 55.43 2jkz n LEU 51 Cb 0.75 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.79 2jkz n LEU 51 CO 0.41 0.08 1.13 -0.75 -1.33 0.00 0.00 177.39 176.93 2jkz s LYS 52 N -2.06 4.26 -0.11 3.23 2.47 -1.07 -4.97 119.74 121.48 2jkz s LYS 52 Ca 0.43 1.87 0.03 0.00 -1.56 0.00 0.00 55.97 56.74 2jkz s LYS 52 Cb 0.21 -3.71 0.00 0.00 -1.46 0.00 0.00 37.83 32.87 2jkz s LYS 52 CO 0.37 -0.65 -0.22 -1.21 0.16 0.00 0.00 175.35 173.80 2jkz s GLU 53 N 3.04 3.08 -0.08 4.03 2.02 -1.26 -5.08 118.70 124.44 2jkz s GLU 53 Ca 0.62 -0.85 -0.31 0.00 0.02 0.00 0.00 54.97 54.45 2jkz s GLU 53 Cb -0.28 -2.37 -0.15 0.00 0.10 0.00 0.00 34.13 31.43 2jkz s GLU 53 CO 0.23 0.13 0.87 -0.35 0.02 0.00 0.00 175.26 176.16 2jkz n PRO 54 N 3.67 0.00 0.00 0.39 -0.04 -1.26 -2.16 135.00 135.60 2jkz n PRO 54 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2jkz n PRO 54 Cb 0.53 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 2jkz n PRO 54 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jkz n GLY 55 N 1.51 1.97 3.68 0.55 0.00 -1.26 -4.98 105.19 106.65 2jkz n GLY 55 Ca 0.17 -0.25 -0.45 0.00 0.00 0.00 0.00 46.02 45.49 2jkz n GLY 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jkz n VAL 56 N 0.00 0.29 -1.67 1.61 0.31 -0.92 -4.93 118.33 113.02 2jkz n VAL 56 Ca 0.00 -0.05 -0.40 0.00 -0.01 0.00 0.00 64.34 63.88 2jkz n VAL 56 Cb 0.00 -1.89 0.03 0.00 -0.91 0.00 0.00 33.84 31.07 2jkz n VAL 56 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2jkz n PRO 57 N 5.11 1.51 -2.01 5.55 -0.04 -1.26 -4.60 135.00 139.25 2jkz n PRO 57 Ca 0.19 0.55 -0.42 0.00 -0.04 0.00 0.00 63.50 63.78 2jkz n PRO 57 Cb 0.33 -2.30 -0.03 0.00 -0.04 0.00 0.00 33.50 31.46 2jkz n PRO 57 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2jkz s THR 58 N -1.31 2.75 0.52 0.52 2.01 -1.26 -4.96 115.64 113.90 2jkz s THR 58 Ca 0.67 0.58 -0.22 0.00 0.31 0.00 0.00 61.69 63.03 2jkz s THR 58 Cb -0.48 -3.37 -0.06 0.00 0.01 0.00 0.00 72.50 68.60 2jkz s THR 58 CO 0.53 0.07 1.22 0.00 -0.69 0.00 0.00 174.62 175.75 2jkz n ILE 59 N 3.09 3.40 -3.31 1.82 3.06 -1.26 -4.99 119.36 121.17 2jkz n ILE 59 Ca 0.10 -0.50 -0.34 0.00 -2.50 0.00 0.00 62.75 59.51 2jkz n ILE 59 Cb 0.40 -1.48 -0.06 0.00 0.54 0.00 0.00 39.64 39.04 2jkz n ILE 59 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 2jkz s ARG 60 N -2.63 3.97 -0.16 9.51 0.52 -1.26 -4.95 118.95 123.95 2jkz s ARG 60 Ca 0.69 0.51 0.01 0.00 -0.52 0.00 0.00 55.73 56.42 2jkz s ARG 60 Cb -0.45 -2.77 0.01 0.00 0.52 0.00 0.00 34.95 32.26 2jkz s ARG 60 CO 0.51 0.37 -0.19 0.42 0.02 0.00 0.00 175.30 176.44 2jkz s ILE 61 N -1.65 2.23 -0.21 1.52 1.01 -1.26 -0.70 121.20 122.15 2jkz s ILE 61 Ca 0.44 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 2jkz s ILE 61 Cb -0.13 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 2jkz s ILE 61 CO 0.20 0.53 -0.03 -0.36 0.00 0.00 0.00 174.94 175.28 2jkz s PHE 62 N 1.05 2.98 0.12 3.97 0.40 0.11 -4.97 117.98 121.64 2jkz s PHE 62 Ca -0.01 -0.75 -0.16 0.00 -0.60 0.00 0.00 56.93 55.41 2jkz s PHE 62 Cb -0.14 -2.09 -0.07 0.00 0.51 0.00 0.00 43.02 41.23 2jkz s PHE 62 CO -0.06 -0.43 0.56 0.00 0.70 0.00 0.00 175.22 175.99 2jkz s ALA 63 N 1.28 3.58 -0.01 5.36 0.00 -1.26 0.16 121.76 130.87 2jkz s ALA 63 Ca 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.89 2jkz s ALA 63 Cb -0.14 -2.57 -0.00 0.00 0.00 0.00 0.00 23.12 20.40 2jkz s ALA 63 CO -0.01 0.43 0.09 0.96 0.00 0.00 0.00 175.76 177.23 2jkz s ILE 64 N -1.32 0.07 -0.10 0.00 -4.36 -0.09 -4.69 121.20 110.71 2jkz s ILE 64 Ca 0.34 -0.54 0.02 0.00 -0.26 0.00 0.00 60.65 60.22 2jkz s ILE 64 Cb -0.17 -0.31 -0.01 0.00 1.25 0.00 0.00 42.46 43.22 2jkz s ILE 64 CO 0.19 -0.30 -0.18 -0.63 0.24 0.00 0.00 174.94 174.26 2jkz s ILE 65 N -0.97 2.63 -0.10 8.37 -1.09 -0.34 -0.45 121.20 129.24 2jkz s ILE 65 Ca -0.11 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 2jkz s ILE 65 Cb -0.06 -2.05 0.02 0.00 -1.58 0.00 0.00 42.46 38.79 2jkz s ILE 65 CO 0.01 0.55 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.95 2jkz s LEU 66 N 0.14 1.35 -0.20 2.97 0.20 -1.26 -2.63 118.68 119.25 2jkz s LEU 66 Ca -0.09 -0.31 -0.06 0.00 0.69 0.00 0.00 54.13 54.36 2jkz s LEU 66 Cb -0.16 -0.85 -0.03 0.00 -0.43 0.00 0.00 46.19 44.72 2jkz s LEU 66 CO 0.06 -0.07 0.02 -0.44 -0.29 0.00 0.00 176.35 175.63 2jkz s SER 67 N 1.39 5.07 -0.19 3.68 0.01 -0.74 -4.97 113.70 117.94 2jkz s SER 67 Ca -0.01 -0.12 -0.02 0.00 1.31 0.00 0.00 55.95 57.11 2jkz s SER 67 Cb -0.14 -1.87 -0.01 0.00 0.21 0.00 0.00 66.02 64.22 2jkz s SER 67 CO -0.05 0.09 -0.08 -0.76 0.41 0.00 0.00 173.24 172.85 2jkz s LEU 68 N 0.85 2.78 0.32 2.44 1.43 -1.26 -1.07 118.68 124.16 2jkz s LEU 68 Ca 0.02 -0.40 0.10 0.00 -1.03 0.00 0.00 54.13 52.81 2jkz s LEU 68 Cb -0.14 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 2jkz s LEU 68 CO 0.02 0.03 -0.03 -0.31 0.23 0.00 0.00 176.35 176.29 2jkz s TYR 69 N 1.17 2.53 0.00 0.29 2.02 0.50 -4.96 117.35 118.91 2jkz s TYR 69 Ca 0.02 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.33 2jkz s TYR 69 Cb -0.14 -1.35 0.00 0.00 -0.40 0.00 0.00 41.96 40.06 2jkz s TYR 69 CO -0.02 0.55 0.00 -1.91 -1.57 0.00 0.00 175.55 172.59 2jkz n GLU 70 N -0.88 1.04 0.00 -0.62 2.13 -1.26 -0.78 120.64 120.26 2jkz n GLU 70 Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 2jkz n GLU 70 Cb 0.61 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.32 2jkz n GLU 70 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2jkz n ASP 71 N 0.00 2.99 -4.91 4.31 8.00 -1.26 -4.95 116.55 120.73 2jkz n ASP 71 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 2jkz n ASP 71 Cb 0.00 0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.13 2jkz n ASP 71 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2jkz s VAL 84 N -1.71 5.39 -0.16 2.53 1.01 -1.26 -5.40 120.40 120.80 2jkz s VAL 84 Ca 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.72 2jkz s VAL 84 Cb 0.00 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.80 2jkz s VAL 84 CO 0.00 0.20 -0.18 -0.75 0.00 0.00 0.00 175.10 174.37 2jkz s LYS 85 N -2.31 2.71 -0.00 2.72 2.47 0.04 -4.99 119.74 120.37 2jkz s LYS 85 Ca 0.33 -0.72 -0.02 0.00 -1.56 0.00 0.00 55.97 53.99 2jkz s LYS 85 Cb -0.13 -2.36 -0.04 0.00 -1.46 0.00 0.00 37.83 33.84 2jkz s LYS 85 CO 0.24 -0.19 0.16 0.14 0.16 0.00 0.00 175.35 175.86 2jkz s VAL 86 N 1.30 5.27 -0.16 4.02 -7.23 -1.26 -0.37 120.40 121.97 2jkz s VAL 86 Ca 0.03 -0.24 -0.04 0.00 -1.81 0.00 0.00 61.98 59.93 2jkz s VAL 86 Cb -0.13 -3.46 0.07 0.00 0.56 0.00 0.00 36.38 33.42 2jkz s VAL 86 CO -0.11 0.31 0.18 -0.55 -0.31 0.00 0.00 175.10 174.63 2jkz s SER 87 N -1.94 1.33 -1.22 4.85 0.15 -0.23 -4.98 113.70 111.65 2jkz s SER 87 Ca 0.27 -0.10 -0.20 0.00 0.70 0.00 0.00 55.95 56.62 2jkz s SER 87 Cb -0.13 0.25 -0.00 0.00 -1.71 0.00 0.00 66.02 64.44 2jkz s SER 87 CO 0.18 -0.30 1.81 -0.13 1.20 0.00 0.00 173.24 176.00 2jkz s ARG 88 N 2.29 3.30 0.28 5.44 0.52 -1.26 -1.79 118.95 127.72 2jkz s ARG 88 Ca 0.05 -1.54 -0.03 0.00 -0.52 0.00 0.00 55.73 53.69 2jkz s ARG 88 Cb -0.15 -5.39 0.39 0.00 0.52 0.00 0.00 34.95 30.33 2jkz s ARG 88 CO -0.10 -3.01 1.93 1.15 0.02 0.00 0.00 175.30 175.30 2jkz h THR 89 N 5.96 1.18 -2.65 0.02 2.02 -1.88 -3.41 112.91 114.16 2jkz h THR 89 Ca 0.32 -0.41 -0.15 0.00 0.77 0.00 0.00 66.41 66.94 2jkz h THR 89 Cb 0.91 -0.12 -0.30 0.00 -1.74 0.00 0.00 68.15 66.90 2jkz h THR 89 CO 1.35 0.22 -0.44 -1.10 0.37 0.00 0.00 175.52 175.92 2jkz s GLN 90 N -6.01 0.25 0.37 6.66 -0.21 -1.09 -4.93 119.66 114.71 2jkz s GLN 90 Ca -0.12 0.90 0.04 0.00 0.02 0.00 0.00 55.36 56.19 2jkz s GLN 90 Cb 0.19 0.15 -0.05 0.00 1.00 0.00 0.00 33.01 34.30 2jkz s GLN 90 CO 0.81 -0.28 0.07 -0.46 -2.12 0.00 0.00 175.29 173.31 2jkz s TRP 91 N 2.53 1.95 -0.25 0.91 -0.11 -1.26 -1.20 118.94 121.51 2jkz s TRP 91 Ca -0.00 -1.03 -0.27 0.00 1.22 0.00 0.00 56.10 56.02 2jkz s TRP 91 Cb -0.12 -1.32 0.00 0.00 -1.50 0.00 0.00 33.47 30.54 2jkz s TRP 91 CO -0.11 -0.02 0.95 0.42 -4.62 0.00 0.00 176.95 173.57 2jkz s ILE 92 N -3.19 4.72 -1.33 5.86 1.01 -1.26 -4.95 121.20 122.07 2jkz s ILE 92 Ca 0.30 1.79 -0.15 0.00 0.00 0.00 0.00 60.65 62.59 2jkz s ILE 92 Cb 0.06 -4.24 0.10 0.00 0.01 0.00 0.00 42.46 38.39 2jkz s ILE 92 CO 0.14 -0.18 1.84 -0.67 0.00 0.00 0.00 174.94 176.08 2jkz n ASP 93 N 6.26 4.72 -0.41 3.58 -0.08 -1.26 -4.78 116.55 124.57 2jkz n ASP 93 Ca 0.09 -2.94 0.33 0.00 -1.51 0.00 0.00 54.79 50.77 2jkz n ASP 93 Cb 0.47 -1.65 0.62 0.00 2.34 0.00 0.00 41.12 42.90 2jkz n ASP 93 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 2jkz h TYR 94 N 6.77 0.53 0.00 -0.67 0.05 -1.92 -1.85 116.97 119.88 2jkz h TYR 94 Ca 0.45 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.25 2jkz h TYR 94 Cb 0.77 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.37 2jkz h TYR 94 CO 1.35 -0.13 0.00 0.39 -1.05 0.00 0.00 178.16 178.72 2jkz n GLU 95 N -4.65 0.00 0.28 4.88 -0.58 -1.26 -0.37 120.64 118.94 2jkz n GLU 95 Ca 0.34 0.17 0.15 0.00 -0.42 0.00 0.00 57.16 57.40 2jkz n GLU 95 Cb 1.29 -0.87 0.90 0.00 -0.57 0.00 0.00 31.44 32.19 2jkz n GLU 95 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 2jkz h GLN 96 N 0.00 0.00 0.00 3.49 -0.00 -1.94 -1.06 115.11 115.60 2jkz h GLN 96 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2jkz h GLN 96 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.48 2jkz h GLN 96 CO 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 178.83 178.69 2jkz n LYS 98 N -3.05 -4.04 -4.48 0.00 5.02 0.51 -5.00 118.16 107.11 2jkz n LYS 98 Ca 0.03 0.83 -0.34 0.00 -2.02 0.00 0.00 58.31 56.82 2jkz n LYS 98 Cb 0.54 -5.74 -0.13 0.00 -0.02 0.00 0.00 35.03 29.68 2jkz n LYS 98 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2jkz s LEU 99 N -5.88 2.96 -0.30 -0.35 2.96 -0.96 -5.07 118.68 112.04 2jkz s LEU 99 Ca 0.26 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.91 2jkz s LEU 99 Cb -0.04 -1.70 0.06 0.00 0.50 0.00 0.00 46.19 45.01 2jkz s LEU 99 CO 0.75 0.14 -0.02 -0.62 -1.32 0.00 0.00 176.35 175.27 2jkz s ASP 100 N 0.54 4.77 0.15 3.68 2.15 -1.26 -4.84 116.67 121.85 2jkz s ASP 100 Ca -0.05 -1.43 0.22 0.00 0.43 0.00 0.00 52.55 51.72 2jkz s ASP 100 Cb -0.15 -1.66 0.88 0.00 -0.30 0.00 0.00 42.92 41.69 2jkz s ASP 100 CO 0.03 -0.27 1.68 0.18 -0.17 0.00 0.00 175.17 176.63 2jkz n LEU 101 N 4.53 0.43 -4.67 -1.34 4.32 -1.26 -4.70 117.00 114.31 2jkz n LEU 101 Ca -0.11 0.58 -0.42 0.00 -0.02 0.00 0.00 56.01 56.04 2jkz n LEU 101 Cb 0.43 -0.50 -0.03 0.00 -1.62 0.00 0.00 43.42 41.70 2jkz n LEU 101 CO 0.25 -0.34 1.39 -0.69 -1.22 0.00 0.00 177.39 176.78 2jkz s VAL 102 N -3.15 3.27 -1.42 4.08 1.01 -1.26 -2.60 120.40 120.32 2jkz s VAL 102 Ca 0.07 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.55 2jkz s VAL 102 Cb 0.11 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.17 2jkz s VAL 102 CO 0.41 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.09 2jkz n GLY 103 N 4.15 1.12 3.72 4.51 0.00 0.31 -5.01 105.19 114.00 2jkz n GLY 103 Ca 0.17 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 2jkz n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jkz s LYS 104 N -3.48 2.39 -0.37 1.61 -0.14 -1.07 -4.99 119.74 113.68 2jkz s LYS 104 Ca 0.00 -1.50 -0.06 0.00 -1.36 0.00 0.00 55.97 53.05 2jkz s LYS 104 Cb 0.00 -2.19 0.07 0.00 -1.68 0.00 0.00 37.83 34.02 2jkz s LYS 104 CO 0.00 0.17 0.15 -0.80 -0.76 0.00 0.00 175.35 174.11 2jkz s ASN 105 N -3.82 5.33 -0.12 2.83 0.02 -1.26 -2.32 114.94 115.60 2jkz s ASN 105 Ca 0.36 -1.45 -0.13 0.00 -1.02 0.00 0.00 52.86 50.63 2jkz s ASN 105 Cb -0.03 -1.87 -0.05 0.00 0.02 0.00 0.00 41.25 39.32 2jkz s ASN 105 CO 0.22 -0.42 0.29 -0.69 0.02 0.00 0.00 177.10 176.52 2jkz s VAL 106 N 1.33 5.28 -0.25 1.60 1.01 -0.27 -0.62 120.40 128.49 2jkz s VAL 106 Ca 0.01 0.55 -0.04 0.00 0.00 0.00 0.00 61.98 62.51 2jkz s VAL 106 Cb -0.21 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.57 2jkz s VAL 106 CO 0.01 0.46 -0.01 -0.22 0.00 0.00 0.00 175.10 175.33 2jkz s LEU 107 N -0.06 3.29 -0.12 3.92 2.96 -0.88 0.11 118.68 127.89 2jkz s LEU 107 Ca 0.18 -0.67 -0.23 0.00 -0.22 0.00 0.00 54.13 53.19 2jkz s LEU 107 Cb -0.14 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 2jkz s LEU 107 CO 0.06 -0.11 0.69 -0.63 -1.32 0.00 0.00 176.35 175.03 2jkz s ILE 108 N 1.43 5.03 0.03 6.68 1.01 0.39 -1.20 121.20 134.56 2jkz s ILE 108 Ca 0.03 1.38 0.09 0.00 0.00 0.00 0.00 60.65 62.15 2jkz s ILE 108 Cb -0.16 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.27 2jkz s ILE 108 CO -0.02 0.19 -0.26 -0.69 0.00 0.00 0.00 174.94 174.16 2jkz s VAL 109 N 1.24 2.11 -0.17 2.92 1.01 -0.03 -0.24 120.40 127.25 2jkz s VAL 109 Ca 0.35 -1.33 -0.29 0.00 0.00 0.00 0.00 61.98 60.71 2jkz s VAL 109 Cb -0.17 -1.79 0.11 0.00 0.00 0.00 0.00 36.38 34.53 2jkz s VAL 109 CO 0.15 0.41 0.92 -0.62 0.00 0.00 0.00 175.10 175.96 2jkz s ASP 110 N -1.10 -0.47 0.08 3.32 2.15 -0.93 -0.84 116.67 118.87 2jkz s ASP 110 Ca 0.11 0.64 -0.25 0.00 0.43 0.00 0.00 52.55 53.48 2jkz s ASP 110 Cb -0.10 0.55 -0.16 0.00 -0.30 0.00 0.00 42.92 42.91 2jkz s ASP 110 CO 0.01 -0.35 1.67 1.05 -0.17 0.00 0.00 175.17 177.38 2jkz h GLU 111 N 3.15 -0.12 -4.36 4.34 9.09 -1.85 -3.33 114.58 121.50 2jkz h GLU 111 Ca -0.23 0.01 -0.27 0.00 0.05 0.00 0.00 59.36 58.92 2jkz h GLU 111 Cb 1.16 0.03 -0.24 0.00 -1.65 0.00 0.00 28.75 28.05 2jkz h GLU 111 CO 0.27 -0.04 -0.73 0.54 0.05 0.00 0.00 179.01 179.10 2jkz s VAL 112 N -5.97 0.41 -0.43 -1.06 0.11 -1.26 -0.36 120.40 111.83 2jkz s VAL 112 Ca -0.14 -0.74 -0.14 0.00 -2.93 0.00 0.00 61.98 58.04 2jkz s VAL 112 Cb 0.05 -0.45 0.05 0.00 -1.53 0.00 0.00 36.38 34.51 2jkz s VAL 112 CO 0.65 -0.23 0.32 -0.62 -3.33 0.00 0.00 175.10 171.89 2jkz s ASP 113 N -1.04 5.99 0.00 3.54 -1.08 0.31 -4.96 116.67 119.44 2jkz s ASP 113 Ca -0.07 -1.19 0.00 0.00 -0.52 0.00 0.00 52.55 50.77 2jkz s ASP 113 Cb -0.07 -2.12 0.00 0.00 -1.46 0.00 0.00 42.92 39.27 2jkz s ASP 113 CO 0.00 -0.54 0.00 -0.67 0.52 0.00 0.00 175.17 174.48 2jkz n ASP 114 N 5.11 0.00 -0.49 -0.34 2.03 -1.26 -1.40 116.55 120.21 2jkz n ASP 114 Ca -0.12 0.02 0.06 0.00 0.52 0.00 0.00 54.79 55.28 2jkz n ASP 114 Cb 0.45 -0.48 0.05 0.00 -0.72 0.00 0.00 41.12 40.42 2jkz n ASP 114 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2jkz n THR 115 N -2.43 0.03 0.00 5.18 -2.24 -1.26 -4.80 114.28 108.75 2jkz n THR 115 Ca 0.00 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2jkz n THR 115 Cb 0.00 1.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 2jkz n THR 115 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2jkz n ARG 116 N 0.68 0.00 -0.34 -0.78 0.63 -1.26 -1.36 116.66 114.23 2jkz n ARG 116 Ca 0.07 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.94 2jkz n ARG 116 Cb 0.31 -2.41 -0.03 0.00 0.45 0.00 0.00 32.46 30.78 2jkz n ARG 116 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 2jkz h THR 117 N 0.00 0.03 0.05 5.15 2.02 -1.92 0.30 112.91 118.54 2jkz h THR 117 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 2jkz h THR 117 Cb 0.00 0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 66.39 2jkz h THR 117 CO 0.00 0.00 -0.36 0.74 0.37 0.00 0.00 175.52 176.27 2jkz h THR 118 N -0.07 0.24 -0.25 3.16 2.02 -1.99 -2.10 112.91 113.92 2jkz h THR 118 Ca 0.24 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.38 2jkz h THR 118 Cb 0.53 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 2jkz h THR 118 CO -0.88 0.00 -0.02 -0.07 0.37 0.00 0.00 175.52 174.92 2jkz h LEU 119 N -0.55 0.34 -0.08 2.58 4.07 -1.81 -0.24 115.31 119.62 2jkz h LEU 119 Ca 0.04 -0.05 0.04 0.00 0.08 0.00 0.00 57.88 57.99 2jkz h LEU 119 Cb 0.61 -0.09 -0.06 0.00 1.08 0.00 0.00 40.66 42.20 2jkz h LEU 119 CO -0.26 0.42 -0.38 -0.74 -1.08 0.00 0.00 178.44 176.40 2jkz h HIS 120 N 0.36 -1.07 -0.15 1.13 2.76 -0.27 0.13 115.15 118.05 2jkz h HIS 120 Ca 0.08 0.04 -0.19 0.00 -2.20 0.00 0.00 60.37 58.10 2jkz h HIS 120 Cb 0.27 0.48 -0.00 0.00 1.55 0.00 0.00 27.41 29.71 2jkz h HIS 120 CO 0.01 -0.45 -0.68 1.88 -1.30 0.00 0.00 177.93 177.38 2jkz h TYR 121 N -0.48 0.79 -0.42 5.26 0.05 -1.29 -1.22 116.97 119.65 2jkz h TYR 121 Ca 0.07 -0.33 0.05 0.00 0.05 0.00 0.00 58.73 58.58 2jkz h TYR 121 Cb 0.60 -0.13 -0.05 0.00 1.01 0.00 0.00 36.73 38.17 2jkz h TYR 121 CO -0.43 1.11 0.16 0.00 -1.05 0.00 0.00 178.16 177.94 2jkz h ALA 122 N 0.81 0.51 0.60 3.88 0.00 -0.66 0.21 119.26 124.61 2jkz h ALA 122 Ca -0.02 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2jkz h ALA 122 Cb 1.27 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.08 2jkz h ALA 122 CO 0.13 -0.23 -0.29 1.25 0.00 0.00 0.00 179.25 180.11 2jkz h LEU 123 N 0.33 -0.68 -0.24 0.00 5.85 -0.71 -2.53 115.31 117.34 2jkz h LEU 123 Ca 0.20 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.91 2jkz h LEU 123 Cb 0.18 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2jkz h LEU 123 CO -0.19 -0.37 -0.15 -1.28 -0.34 0.00 0.00 178.44 176.11 2jkz h SER 124 N -0.98 -0.54 -0.88 1.25 0.87 -0.71 0.12 113.55 112.68 2jkz h SER 124 Ca -0.08 0.08 0.15 0.00 -1.23 0.00 0.00 61.79 60.71 2jkz h SER 124 Cb 0.67 0.24 -0.09 0.00 -0.44 0.00 0.00 62.40 62.77 2jkz h SER 124 CO 0.13 -0.06 0.47 -0.33 -0.53 0.00 0.00 176.83 176.51 2jkz h GLU 125 N -0.01 0.65 -0.03 2.24 4.39 -0.68 0.90 114.58 122.04 2jkz h GLU 125 Ca 0.04 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 2jkz h GLU 125 Cb 0.11 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2jkz h GLU 125 CO -0.23 0.43 -0.34 -0.07 -1.16 0.00 0.00 179.01 177.65 2jkz h LEU 126 N 0.67 0.05 -0.52 1.33 3.38 -0.85 -2.52 115.31 116.85 2jkz h LEU 126 Ca 0.48 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.29 2jkz h LEU 126 Cb 0.67 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2jkz h LEU 126 CO -0.36 0.39 -0.32 -0.33 0.09 0.00 0.00 178.44 177.92 2jkz h GLU 127 N 0.05 0.86 -0.24 1.13 5.08 0.17 -2.34 114.58 119.28 2jkz h GLU 127 Ca 0.00 -0.41 0.02 0.00 -1.00 0.00 0.00 59.36 57.98 2jkz h GLU 127 Cb 0.62 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 2jkz h GLU 127 CO 0.05 1.05 0.09 0.87 -1.00 0.00 0.00 179.01 180.06 2jkz h LYS 128 N 0.72 0.20 -0.93 2.33 1.57 -0.92 -0.55 116.57 118.99 2jkz h LYS 128 Ca 0.08 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.95 2jkz h LYS 128 Cb 0.88 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.07 2jkz h LYS 128 CO 0.08 0.13 0.60 -0.44 -0.57 0.00 0.00 179.45 179.25 2jkz h ASP 129 N 0.20 0.83 0.49 0.86 3.32 -1.24 -0.10 116.42 120.79 2jkz h ASP 129 Ca 0.11 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2jkz h ASP 129 Cb 0.07 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2jkz h ASP 129 CO -0.10 0.47 -0.24 0.00 -1.72 0.00 0.00 179.24 177.64 2jkz h ALA 130 N 1.55 -0.66 -0.18 3.45 0.00 -0.84 -1.78 119.26 120.80 2jkz h ALA 130 Ca 0.45 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.19 2jkz h ALA 130 Cb 0.47 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 2jkz h ALA 130 CO -0.21 -0.69 -0.41 0.00 0.00 0.00 0.00 179.25 177.94 2jkz h ALA 131 N -0.80 -0.74 -0.25 0.00 0.00 -0.67 0.39 119.26 117.19 2jkz h ALA 131 Ca -0.07 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.89 2jkz h ALA 131 Cb 0.59 0.95 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 2jkz h ALA 131 CO 0.11 -0.90 0.18 1.49 0.00 0.00 0.00 179.25 180.13 2jkz h GLU 132 N -0.38 0.00 0.00 0.00 4.22 -1.13 0.31 114.58 117.59 2jkz h GLU 132 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.47 2jkz h GLU 132 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2jkz h GLU 132 CO -0.37 0.00 -0.23 0.94 -2.18 0.00 0.00 179.01 177.17 2jkz n GLN 133 N -4.42 0.18 -0.10 1.92 7.27 -0.37 -2.67 117.38 119.18 2jkz n GLN 133 Ca 0.03 0.10 -0.19 0.00 0.07 0.00 0.00 57.00 57.01 2jkz n GLN 133 Cb 0.34 -1.66 -0.11 0.00 2.41 0.00 0.00 30.24 31.22 2jkz n GLN 133 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2jkz h ALA 134 N 2.69 0.21 0.68 1.69 0.00 0.32 -3.32 119.26 121.53 2jkz h ALA 134 Ca 0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 54.91 53.81 2jkz h ALA 134 Cb 0.65 0.63 0.01 0.00 0.00 0.00 0.00 17.79 19.08 2jkz h ALA 134 CO 0.00 0.60 -0.33 -0.22 0.00 0.00 0.00 179.25 179.30 2jkz h LYS 135 N -1.00 -0.88 0.00 0.00 3.64 -0.93 -1.87 116.57 115.52 2jkz h LYS 135 Ca -0.28 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 2jkz h LYS 135 Cb 1.20 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 2jkz h LYS 135 CO -0.17 -0.58 0.00 0.00 -2.27 0.00 0.00 179.45 176.43 2jkz n ALA 136 N -2.50 1.36 1.01 5.00 0.00 -1.09 0.48 120.51 124.76 2jkz n ALA 136 Ca -0.14 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.41 2jkz n ALA 136 Cb 0.38 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 2jkz n ALA 136 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2jkz n LYS 137 N -1.08 0.43 -2.17 0.00 4.81 -0.71 -4.99 118.16 114.45 2jkz n LYS 137 Ca 0.00 -0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.09 2jkz n LYS 137 Cb 0.00 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.56 2jkz n LYS 137 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jkz n GLY 138 N 1.47 0.96 3.16 3.14 0.00 0.18 -5.08 105.19 109.01 2jkz n GLY 138 Ca 0.06 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 2jkz n GLY 138 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jkz s ILE 139 N -2.87 0.30 -0.04 -0.61 1.01 -1.18 -5.07 121.20 112.74 2jkz s ILE 139 Ca 0.00 -1.90 -0.02 0.00 0.00 0.00 0.00 60.65 58.73 2jkz s ILE 139 Cb 0.00 -1.90 0.03 0.00 0.01 0.00 0.00 42.46 40.60 2jkz s ILE 139 CO 0.00 -0.64 0.06 -0.62 0.00 0.00 0.00 174.94 173.74 2jkz s ASP 140 N -3.04 1.01 0.07 3.58 -1.08 -1.26 -4.26 116.67 111.69 2jkz s ASP 140 Ca 0.19 0.09 0.07 0.00 -0.52 0.00 0.00 52.55 52.38 2jkz s ASP 140 Cb 0.07 -0.12 0.35 0.00 -1.46 0.00 0.00 42.92 41.76 2jkz s ASP 140 CO -0.01 -0.24 1.22 0.35 0.52 0.00 0.00 175.17 177.01 2jkz n THR 141 N 5.18 1.62 0.02 1.71 -2.24 -1.26 -2.14 114.28 117.17 2jkz n THR 141 Ca -0.06 0.49 -0.01 0.00 -2.27 0.00 0.00 64.05 62.20 2jkz n THR 141 Cb 0.50 -1.44 -0.01 0.00 -2.10 0.00 0.00 70.33 67.28 2jkz n THR 141 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2jkz h GLU 142 N 0.00 -0.08 -0.32 -0.78 4.39 -1.97 -3.08 114.58 112.75 2jkz h GLU 142 Ca 0.00 0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.61 2jkz h GLU 142 Cb 0.06 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2jkz h GLU 142 CO 0.00 -0.05 -0.20 -0.22 -1.16 0.00 0.00 179.01 177.37 2jkz h LYS 143 N -0.30 0.59 -3.13 2.33 3.64 -2.01 -3.34 116.57 114.34 2jkz h LYS 143 Ca -0.01 -0.21 -0.62 0.00 -1.27 0.00 0.00 60.65 58.53 2jkz h LYS 143 Cb 0.06 -0.04 -0.42 0.00 -0.41 0.00 0.00 32.23 31.43 2jkz h LYS 143 CO 0.01 0.76 -0.57 -1.54 -2.27 0.00 0.00 179.45 175.84 2jkz s SER 144 N -6.77 4.80 0.00 4.20 1.04 -0.91 -4.93 113.70 111.12 2jkz s SER 144 Ca -0.08 -3.75 0.23 0.00 0.48 0.00 0.00 55.95 52.83 2jkz s SER 144 Cb 0.14 -1.65 1.19 0.00 0.10 0.00 0.00 66.02 65.80 2jkz s SER 144 CO 0.80 -0.10 1.76 -2.65 0.98 0.00 0.00 173.24 174.03 2jkz n PRO 145 N 2.12 0.37 -0.09 4.02 -0.02 -1.16 -3.20 135.00 137.04 2jkz n PRO 145 Ca 0.18 0.06 0.02 0.00 -2.02 0.00 0.00 63.50 61.74 2jkz n PRO 145 Cb 0.35 -1.50 0.06 0.00 -0.02 0.00 0.00 33.50 32.39 2jkz n PRO 145 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2jkz n GLU 146 N -1.26 1.39 -0.01 -0.52 0.00 -1.26 -3.59 120.64 115.39 2jkz n GLU 146 Ca 0.12 -0.49 -0.01 0.00 0.00 0.00 0.00 57.16 56.78 2jkz n GLU 146 Cb 0.17 -1.22 -0.02 0.00 0.00 0.00 0.00 31.44 30.37 2jkz n GLU 146 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2jkz n MET 147 N -0.06 2.91 -0.89 3.44 2.81 -1.19 -4.80 117.12 119.33 2jkz n MET 147 Ca 0.05 -0.01 -0.34 0.00 -1.81 0.00 0.00 57.70 55.59 2jkz n MET 147 Cb 0.18 -1.07 0.09 0.00 -0.71 0.00 0.00 33.22 31.71 2jkz n MET 147 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2jkz n LYS 148 N -2.00 -0.16 -3.69 0.03 2.85 -1.24 0.12 118.16 114.06 2jkz n LYS 148 Ca -0.04 -0.02 -0.36 0.00 -1.05 0.00 0.00 58.31 56.85 2jkz n LYS 148 Cb 0.49 -1.54 -0.07 0.00 -0.65 0.00 0.00 35.03 33.26 2jkz n LYS 148 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2jkz s THR 149 N -2.23 5.38 -0.34 0.58 2.01 -1.26 -3.71 115.64 116.08 2jkz s THR 149 Ca 0.51 0.31 -0.13 0.00 0.31 0.00 0.00 61.69 62.69 2jkz s THR 149 Cb -0.21 -3.51 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 2jkz s THR 149 CO 0.73 0.46 0.27 0.20 -0.69 0.00 0.00 174.62 175.59 2jkz s ASN 150 N 0.14 6.10 -0.05 3.53 0.01 -0.98 -5.00 114.94 118.69 2jkz s ASN 150 Ca 0.12 -0.34 -0.12 0.00 -0.71 0.00 0.00 52.86 51.81 2jkz s ASN 150 Cb -0.12 -2.15 -0.05 0.00 0.41 0.00 0.00 41.25 39.34 2jkz s ASN 150 CO 0.01 -0.25 0.31 -0.36 -1.51 0.00 0.00 177.10 175.30 2jkz s PHE 151 N 1.81 3.67 0.15 2.20 0.40 -1.26 -1.11 117.98 123.84 2jkz s PHE 151 Ca 0.08 0.82 0.07 0.00 -0.60 0.00 0.00 56.93 57.30 2jkz s PHE 151 Cb -0.17 -2.18 -0.04 0.00 0.51 0.00 0.00 43.02 41.14 2jkz s PHE 151 CO 0.11 0.65 -0.16 0.20 0.70 0.00 0.00 175.22 176.73 2jkz s GLY 152 N -0.98 1.24 0.04 4.36 0.00 0.30 -4.95 107.32 107.33 2jkz s GLY 152 Ca 0.21 -1.41 0.07 0.00 0.00 0.00 0.00 44.72 43.58 2jkz s GLY 152 CO 0.10 -1.47 -0.19 -0.42 0.00 0.00 0.00 173.10 171.12 2jkz s ILE 153 N -2.22 1.51 -0.06 0.90 1.01 -0.30 0.15 121.20 122.19 2jkz s ILE 153 Ca 0.13 -1.10 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 2jkz s ILE 153 Cb -0.05 -1.32 0.04 0.00 0.01 0.00 0.00 42.46 41.14 2jkz s ILE 153 CO 0.05 0.19 0.12 0.12 0.00 0.00 0.00 174.94 175.41 2jkz s PHE 154 N -0.76 -0.10 0.01 3.97 5.36 0.67 0.18 117.98 127.31 2jkz s PHE 154 Ca 0.06 0.43 0.01 0.00 -0.96 0.00 0.00 56.93 56.48 2jkz s PHE 154 Cb -0.08 -0.23 -0.01 0.00 -0.34 0.00 0.00 43.02 42.36 2jkz s PHE 154 CO 0.01 -0.19 -0.05 0.14 -1.46 0.00 0.00 175.22 173.68 2jkz s VAL 155 N 1.66 0.34 0.04 3.12 -7.23 0.14 -2.20 120.40 116.27 2jkz s VAL 155 Ca -0.03 -0.50 -0.24 0.00 -1.81 0.00 0.00 61.98 59.40 2jkz s VAL 155 Cb -0.12 -0.35 -0.18 0.00 0.56 0.00 0.00 36.38 36.30 2jkz s VAL 155 CO -0.05 -0.11 1.51 -0.07 -0.31 0.00 0.00 175.10 176.07 2jkz h LEU 156 N 5.47 0.00 -8.64 1.32 3.38 -0.81 -0.78 115.31 115.26 2jkz h LEU 156 Ca -0.30 -0.23 -0.65 0.00 0.09 0.00 0.00 57.88 56.79 2jkz h LEU 156 Cb 1.20 -0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.68 2jkz h LEU 156 CO 0.47 0.23 -0.87 -1.00 0.09 0.00 0.00 178.44 177.36 2jkz s HIS 157 N -5.26 2.11 -0.30 1.13 3.76 -0.57 -1.34 115.29 114.82 2jkz s HIS 157 Ca -0.14 -0.40 -0.01 0.00 -0.15 0.00 0.00 55.06 54.36 2jkz s HIS 157 Cb 0.04 -1.28 0.10 0.00 1.11 0.00 0.00 32.58 32.55 2jkz s HIS 157 CO 0.67 0.08 0.09 0.34 -0.85 0.00 0.00 174.74 175.07 2jkz s ASP 158 N -1.09 3.92 0.27 1.40 2.15 -1.18 -0.53 116.67 121.61 2jkz s ASP 158 Ca 0.10 -1.55 -0.30 0.00 0.43 0.00 0.00 52.55 51.23 2jkz s ASP 158 Cb -0.09 -0.83 -0.10 0.00 -0.30 0.00 0.00 42.92 41.59 2jkz s ASP 158 CO 0.01 -0.40 1.36 -0.54 -0.17 0.00 0.00 175.17 175.43 2jkz s LYS 159 N 1.65 4.33 -0.42 4.34 1.02 -0.49 -2.38 119.74 127.79 2jkz s LYS 159 Ca 0.08 2.21 -0.15 0.00 0.02 0.00 0.00 55.97 58.14 2jkz s LYS 159 Cb -0.17 -3.11 0.02 0.00 -0.52 0.00 0.00 37.83 34.05 2jkz s LYS 159 CO -0.24 -0.30 0.31 1.14 -0.92 0.00 0.00 175.35 175.35 2jkz s GLN 160 N -0.84 2.97 0.18 1.68 -2.07 -0.34 -4.87 119.66 116.38 2jkz s GLN 160 Ca 0.55 -1.04 -0.24 0.00 -1.82 0.00 0.00 55.36 52.81 2jkz s GLN 160 Cb -0.40 -3.99 0.05 0.00 -1.09 0.00 0.00 33.01 27.58 2jkz s GLN 160 CO 0.46 -0.78 0.82 -1.59 -1.32 0.00 0.00 175.29 172.88 2jkz s LYS 161 N 1.68 1.36 0.04 9.60 -2.85 -1.26 -3.93 119.74 124.39 2jkz s LYS 161 Ca 0.05 -0.70 -0.31 0.00 -1.00 0.00 0.00 55.97 54.02 2jkz s LYS 161 Cb -0.19 0.50 -0.06 0.00 -2.06 0.00 0.00 37.83 36.01 2jkz s LYS 161 CO 0.10 -0.62 1.40 -1.25 0.10 0.00 0.00 175.35 175.08 2jkz s PRO 162 N -3.55 4.30 0.86 1.78 0.04 -1.26 -4.99 135.00 132.18 2jkz s PRO 162 Ca 0.09 2.00 -0.12 0.00 0.04 0.00 0.00 61.00 63.02 2jkz s PRO 162 Cb -0.03 -3.47 0.11 0.00 0.04 0.00 0.00 34.50 31.15 2jkz s PRO 162 CO 0.00 -0.52 1.12 0.15 0.04 0.00 0.00 177.00 177.79 2jkz s LYS 163 N 1.95 1.55 -0.01 4.56 -0.14 -1.26 -4.94 119.74 121.45 2jkz s LYS 163 Ca 0.64 0.43 0.10 0.00 -1.36 0.00 0.00 55.97 55.78 2jkz s LYS 163 Cb -0.33 -1.88 -0.15 0.00 -1.68 0.00 0.00 37.83 33.79 2jkz s LYS 163 CO 0.28 -1.94 0.22 1.63 -0.76 0.00 0.00 175.35 174.78 2jkz n LYS 164 N -3.61 0.42 -0.29 1.68 5.02 -0.47 -5.04 118.16 115.87 2jkz n LYS 164 Ca 0.07 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2jkz n LYS 164 Cb 0.58 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 2jkz n LYS 164 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jkz n ALA 165 N -1.82 0.00 -3.63 7.82 0.00 -1.12 -4.94 120.51 116.82 2jkz n ALA 165 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.35 2jkz n ALA 165 Cb 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.64 2jkz n ALA 165 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2jkz s ASP 166 N 0.71 -0.28 0.27 0.00 1.47 -1.26 -4.91 116.67 112.67 2jkz s ASP 166 Ca 0.00 0.46 0.06 0.00 1.18 0.00 0.00 52.55 54.26 2jkz s ASP 166 Cb 0.00 0.44 -0.03 0.00 -0.34 0.00 0.00 42.92 42.99 2jkz s ASP 166 CO 0.00 -0.15 0.30 -0.76 0.68 0.00 0.00 175.17 175.23 2jkz s LEU 167 N -0.31 3.98 0.21 2.11 1.43 -1.26 -4.87 118.68 119.97 2jkz s LEU 167 Ca 0.04 -0.17 -0.31 0.00 -1.03 0.00 0.00 54.13 52.66 2jkz s LEU 167 Cb -0.03 -2.55 -0.15 0.00 0.03 0.00 0.00 46.19 43.49 2jkz s LEU 167 CO -0.07 -0.13 1.19 -0.81 0.23 0.00 0.00 176.35 176.76 2jkz n PRO 168 N -1.33 1.41 -0.17 1.29 -0.04 -1.26 -4.78 135.00 130.12 2jkz n PRO 168 Ca -0.07 0.50 0.01 0.00 -0.04 0.00 0.00 63.50 63.91 2jkz n PRO 168 Cb 0.58 -2.01 0.28 0.00 -0.04 0.00 0.00 33.50 32.31 2jkz n PRO 168 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jkz h ALA 169 N 3.27 1.50 0.00 0.55 0.00 -1.96 -1.88 119.26 120.75 2jkz h ALA 169 Ca -0.43 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 2jkz h ALA 169 Cb 1.33 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2jkz h ALA 169 CO 0.69 0.46 -0.10 1.05 0.00 0.00 0.00 179.25 181.35 2jkz h GLU 170 N 0.93 0.00 0.11 0.00 9.09 -1.99 -1.91 114.58 120.81 2jkz h GLU 170 Ca 0.25 0.00 -0.36 0.00 0.05 0.00 0.00 59.36 59.30 2jkz h GLU 170 Cb -0.10 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 26.98 2jkz h GLU 170 CO -0.05 0.10 -2.01 -0.12 0.05 0.00 0.00 179.01 176.98 2jkz n MET 171 N -3.56 0.74 0.00 1.06 0.00 -0.92 -2.72 117.12 111.72 2jkz n MET 171 Ca -0.02 0.27 0.07 0.00 0.00 0.00 0.00 57.70 58.02 2jkz n MET 171 Cb 0.22 -1.70 0.41 0.00 0.00 0.00 0.00 33.22 32.16 2jkz n MET 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 2jkz n LEU 172 N -3.51 0.00 -0.05 -0.89 7.94 -0.75 -3.54 117.00 116.19 2jkz n LEU 172 Ca -0.33 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.46 2jkz n LEU 172 Cb 1.03 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.93 2jkz n LEU 172 CO 0.40 0.00 -0.87 -3.20 -1.11 0.00 0.00 177.39 172.61 2jkz n ASN 173 N -0.73 1.40 -4.59 1.96 5.15 -0.73 -4.94 115.26 112.78 2jkz n ASN 173 Ca 0.10 0.09 -0.42 0.00 -0.60 0.00 0.00 54.58 53.75 2jkz n ASN 173 Cb 0.05 -0.29 -0.03 0.00 -0.53 0.00 0.00 39.78 38.99 2jkz n ASN 173 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jkz s ASP 174 N -5.75 5.77 0.00 1.20 2.15 -1.10 -4.83 116.67 114.11 2jkz s ASP 174 Ca -0.15 1.04 0.00 0.00 0.43 0.00 0.00 52.55 53.86 2jkz s ASP 174 Cb 0.05 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 2jkz s ASP 174 CO 0.21 -1.85 0.07 0.29 -0.17 0.00 0.00 175.17 173.71 2jkz n LYS 175 N 8.57 0.13 -1.65 4.34 4.76 -1.26 -0.79 118.16 132.26 2jkz n LYS 175 Ca 0.22 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 2jkz n LYS 175 Cb 0.48 -1.06 0.07 0.00 -1.84 0.00 0.00 35.03 32.68 2jkz n LYS 175 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2jkz n ASN 176 N 0.42 1.79 0.00 4.39 3.02 -1.26 -4.75 115.26 118.87 2jkz n ASN 176 Ca 0.00 -2.68 0.00 0.00 -0.03 0.00 0.00 54.58 51.87 2jkz n ASN 176 Cb 0.03 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 2jkz n ASN 176 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2jkz n ARG 177 N -0.28 0.06 -3.94 3.52 1.74 0.03 -4.52 116.66 113.27 2jkz n ARG 177 Ca 0.14 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.91 2jkz n ARG 177 Cb 0.94 -0.32 -0.15 0.00 -1.02 0.00 0.00 32.46 31.91 2jkz n ARG 177 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2jkz s TYR 178 N -0.98 2.86 -0.23 -1.55 5.04 -1.22 -1.15 117.35 120.11 2jkz s TYR 178 Ca 0.00 -2.28 -0.07 0.00 -2.44 0.00 0.00 57.07 52.28 2jkz s TYR 178 Cb 0.00 -2.15 -0.03 0.00 0.35 0.00 0.00 41.96 40.13 2jkz s TYR 178 CO 0.00 -0.87 0.06 -0.06 -1.34 0.00 0.00 175.55 173.33 2jkz s PHE 179 N 1.23 3.09 -0.26 4.97 0.40 0.13 -4.87 117.98 122.67 2jkz s PHE 179 Ca 0.04 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.01 2jkz s PHE 179 Cb -0.19 -2.19 0.07 0.00 0.51 0.00 0.00 43.02 41.22 2jkz s PHE 179 CO -0.11 -0.28 -0.00 0.00 0.70 0.00 0.00 175.22 175.54 2jkz s ALA 180 N 1.36 1.93 0.00 5.36 0.00 -1.26 -0.68 121.76 128.47 2jkz s ALA 180 Ca 0.05 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.48 2jkz s ALA 180 Cb -0.15 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.45 2jkz s ALA 180 CO 0.03 -1.36 0.21 0.00 0.00 0.00 0.00 175.76 174.65 2jkz n ALA 181 N 4.68 0.00 -2.77 0.00 0.00 -0.30 -4.35 120.51 117.77 2jkz n ALA 181 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.03 2jkz n ALA 181 Cb 0.44 0.11 -0.12 0.00 0.00 0.00 0.00 19.45 19.87 2jkz n ALA 181 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2jkz s LYS 182 N -0.65 3.11 -0.60 0.00 2.20 -0.45 -5.00 119.74 118.36 2jkz s LYS 182 Ca 0.00 -0.58 -0.19 0.00 -0.36 0.00 0.00 55.97 54.84 2jkz s LYS 182 Cb 0.00 -2.67 0.10 0.00 -1.51 0.00 0.00 37.83 33.75 2jkz s LYS 182 CO 0.00 0.45 0.72 0.99 -0.36 0.00 0.00 175.35 177.16 2jkz s THR 183 N -0.25 4.80 0.49 3.43 2.01 -1.26 -3.10 115.64 121.75 2jkz s THR 183 Ca 0.03 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.09 2jkz s THR 183 Cb -0.13 -4.50 0.02 0.00 0.01 0.00 0.00 72.50 67.90 2jkz s THR 183 CO 0.03 -1.15 0.68 0.68 -0.69 0.00 0.00 174.62 174.17 2jkz s VAL 184 N 2.75 3.06 0.66 3.82 -7.23 -1.00 -4.93 120.40 117.53 2jkz s VAL 184 Ca 0.12 -0.75 -0.11 0.00 -1.81 0.00 0.00 61.98 59.43 2jkz s VAL 184 Cb -0.24 -3.11 -0.01 0.00 0.56 0.00 0.00 36.38 33.58 2jkz s VAL 184 CO 0.06 -0.06 1.06 -2.16 -0.31 0.00 0.00 175.10 173.69 2jkz s PRO 185 N -4.58 3.23 -0.79 4.82 0.04 -1.26 -1.19 135.00 135.26 2jkz s PRO 185 Ca 0.54 0.63 -0.25 0.00 0.04 0.00 0.00 61.00 61.96 2jkz s PRO 185 Cb -0.10 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 2jkz s PRO 185 CO 0.36 -0.81 1.91 0.34 0.04 0.00 0.00 177.00 178.85 2jkz s ASP 186 N -4.24 5.20 0.28 6.66 -1.08 -1.25 -4.65 116.67 117.58 2jkz s ASP 186 Ca 0.57 -0.30 0.00 0.00 -0.52 0.00 0.00 52.55 52.29 2jkz s ASP 186 Cb -0.11 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 2jkz s ASP 186 CO 0.53 -2.60 0.36 0.29 0.52 0.00 0.00 175.17 174.28 2jkz n LYS 187 N 8.98 0.52 -3.85 4.34 5.02 -1.26 -5.09 118.16 126.82 2jkz n LYS 187 Ca 0.33 -2.34 -0.36 0.00 -2.02 0.00 0.00 58.31 53.91 2jkz n LYS 187 Cb 0.49 2.18 -0.12 0.00 -0.02 0.00 0.00 35.03 37.56 2jkz n LYS 187 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 2jkz s TRP 188 N -3.27 3.09 -0.22 2.13 -0.11 -1.26 -5.04 118.94 114.26 2jkz s TRP 188 Ca 0.25 -0.38 -0.10 0.00 1.22 0.00 0.00 56.10 57.09 2jkz s TRP 188 Cb -0.00 -2.19 -0.05 0.00 -1.50 0.00 0.00 33.47 29.73 2jkz s TRP 188 CO 0.18 -0.28 0.14 0.71 -4.62 0.00 0.00 176.95 173.07 2jkz s TYR 189 N 1.36 3.35 -0.34 5.86 1.51 -1.26 -1.41 117.35 126.42 2jkz s TYR 189 Ca 0.05 0.26 -0.13 0.00 -1.01 0.00 0.00 57.07 56.24 2jkz s TYR 189 Cb -0.15 -2.20 -0.01 0.00 -0.11 0.00 0.00 41.96 39.49 2jkz s TYR 189 CO 0.03 0.18 0.24 0.00 -1.11 0.00 0.00 175.55 174.88 2jkz s ALA 190 N 0.68 3.48 0.06 3.71 0.00 -0.26 -4.95 121.76 124.49 2jkz s ALA 190 Ca 0.07 -1.41 -0.22 0.00 0.00 0.00 0.00 51.96 50.41 2jkz s ALA 190 Cb -0.12 -2.66 -0.06 0.00 0.00 0.00 0.00 23.12 20.28 2jkz s ALA 190 CO 0.01 -1.00 0.64 0.71 0.00 0.00 0.00 175.76 176.12 2jkz s TYR 191 N 1.71 3.78 0.20 0.00 2.02 -1.26 -1.90 117.35 121.89 2jkz s TYR 191 Ca 0.06 1.35 -0.04 0.00 -0.37 0.00 0.00 57.07 58.07 2jkz s TYR 191 Cb -0.17 -2.63 0.36 0.00 -0.40 0.00 0.00 41.96 39.12 2jkz s TYR 191 CO 0.10 0.46 1.08 -0.35 -1.57 0.00 0.00 175.55 175.27 2jkz n PRO 192 N 2.15 -0.06 0.00 -1.71 -0.04 -1.13 0.71 135.00 134.92 2jkz n PRO 192 Ca -0.07 1.07 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 2jkz n PRO 192 Cb 0.50 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 2jkz n PRO 192 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2jkz n TRP 193 N -5.08 0.00 -0.05 0.54 2.14 -1.26 -2.50 117.44 111.23 2jkz n TRP 193 Ca 0.12 0.00 -0.04 0.00 2.07 0.00 0.00 57.50 59.65 2jkz n TRP 193 Cb 0.39 -0.00 -0.09 0.00 -0.81 0.00 0.00 31.31 30.79 2jkz n TRP 193 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 2jkz n GLU 194 N -0.47 1.89 -2.12 -2.67 1.02 0.22 -5.03 120.64 113.48 2jkz n GLU 194 Ca 0.00 -0.02 -0.38 0.00 -0.02 0.00 0.00 57.16 56.73 2jkz n GLU 194 Cb 0.01 -1.29 -0.00 0.00 -0.02 0.00 0.00 31.44 30.14 2jkz n GLU 194 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2jkz s SER 195 N -4.24 6.18 -0.01 1.62 0.15 -1.04 -4.95 113.70 111.41 2jkz s SER 195 Ca -0.05 2.52 0.19 0.00 0.70 0.00 0.00 55.95 59.31 2jkz s SER 195 Cb 0.04 -2.62 0.56 0.00 -1.71 0.00 0.00 66.02 62.28 2jkz s SER 195 CO 0.47 -0.93 1.47 0.35 1.20 0.00 0.00 173.24 175.80 2jkz n THR 196 N -0.18 1.05 -2.86 6.45 -2.24 -1.26 -4.54 114.28 110.70 2jkz n THR 196 Ca 0.06 -1.02 -0.08 0.00 -2.27 0.00 0.00 64.05 60.74 2jkz n THR 196 Cb 0.45 0.48 -0.00 0.00 -2.10 0.00 0.00 70.33 69.16 2jkz n THR 196 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jkz n ASP 197 N 1.30 -2.90 -0.31 3.42 -0.08 -1.26 -5.02 116.55 111.70 2jkz n ASP 197 Ca 0.21 -2.88 0.12 0.00 -1.51 0.00 0.00 54.79 50.73 2jkz n ASP 197 Cb 0.58 1.39 0.35 0.00 2.34 0.00 0.00 41.12 45.78 2jkz n ASP 197 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 2jkz h ILE 198 N 4.64 0.80 -0.14 5.18 6.09 -1.92 -1.69 117.51 130.47 2jkz h ILE 198 Ca 0.07 -0.26 0.03 0.00 -1.37 0.00 0.00 64.86 63.33 2jkz h ILE 198 Cb 1.07 -0.01 -0.03 0.00 0.47 0.00 0.00 36.82 38.31 2jkz h ILE 198 CO 0.11 0.14 -0.06 0.58 -3.07 0.00 0.00 178.15 175.85 2jkz h VAL 199 N 0.75 0.80 0.58 2.19 2.07 -1.98 0.78 116.25 121.43 2jkz h VAL 199 Ca 0.50 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.99 2jkz h VAL 199 Cb 0.77 0.80 0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2jkz h VAL 199 CO -0.26 0.00 -0.28 0.15 0.02 0.00 0.00 177.57 177.20 2jkz h PHE 200 N -0.04 -0.72 -0.79 1.57 3.57 -1.90 -1.22 116.94 117.40 2jkz h PHE 200 Ca 0.07 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.73 2jkz h PHE 200 Cb 0.16 0.24 -0.15 0.00 2.79 0.00 0.00 35.95 38.99 2jkz h PHE 200 CO -0.20 -0.40 -0.09 1.25 -2.23 0.00 0.00 178.31 176.65 2jkz h HIS 201 N -0.94 -0.22 0.41 0.41 2.76 -1.04 0.12 115.15 116.66 2jkz h HIS 201 Ca -0.08 0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.13 2jkz h HIS 201 Cb 0.65 0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.83 2jkz h HIS 201 CO -0.01 -0.31 -0.20 1.15 -1.30 0.00 0.00 177.93 177.27 2jkz h THR 202 N 0.04 0.58 -0.60 6.26 2.02 0.69 -0.96 112.91 120.95 2jkz h THR 202 Ca 0.42 -0.28 0.12 0.00 0.77 0.00 0.00 66.41 67.44 2jkz h THR 202 Cb 0.71 0.72 -0.11 0.00 -1.74 0.00 0.00 68.15 67.73 2jkz h THR 202 CO -0.76 0.05 -0.11 -0.09 0.37 0.00 0.00 175.52 174.98 2jkz h ARG 203 N -0.72 0.03 0.35 6.66 2.43 0.07 0.14 114.38 123.34 2jkz h ARG 203 Ca -0.06 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2jkz h ARG 203 Cb 0.51 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 2jkz h ARG 203 CO 0.09 0.02 -0.42 0.52 -1.51 0.00 0.00 179.97 178.67 2jkz h MET 204 N 0.03 -0.78 -0.64 0.20 2.86 -0.72 -1.82 114.93 114.06 2jkz h MET 204 Ca 0.30 0.05 0.14 0.00 -2.06 0.00 0.00 59.70 58.12 2jkz h MET 204 Cb 0.46 0.18 -0.11 0.00 0.06 0.00 0.00 31.60 32.19 2jkz h MET 204 CO -0.59 -0.52 0.01 0.00 1.06 0.00 0.00 176.91 176.87 2jkz h ALA 205 N -0.45 0.64 -0.60 6.32 0.00 0.10 0.86 119.26 126.13 2jkz h ALA 205 Ca -0.02 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2jkz h ALA 205 Cb 0.74 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2jkz h ALA 205 CO -0.11 -0.39 0.32 0.82 0.00 0.00 0.00 179.25 179.89 2jkz h ILE 206 N 0.12 1.19 0.00 0.00 2.04 -0.78 0.74 117.51 120.81 2jkz h ILE 206 Ca 0.34 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2jkz h ILE 206 Cb 0.56 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2jkz h ILE 206 CO -0.55 0.21 0.00 -0.33 0.00 0.00 0.00 178.15 177.48 2jkz h GLU 207 N 0.84 0.00 -0.34 2.37 5.08 0.01 -2.60 114.58 119.95 2jkz h GLU 207 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2jkz h GLU 207 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2jkz h GLU 207 CO -0.03 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.02 2jkz n GLN 208 N -2.63 2.27 -2.95 2.33 6.02 -0.65 -4.96 117.38 116.81 2jkz n GLN 208 Ca 0.02 -2.08 -0.12 0.00 -0.01 0.00 0.00 57.00 54.82 2jkz n GLN 208 Cb 0.29 -1.42 0.06 0.00 1.02 0.00 0.00 30.24 30.19 2jkz n GLN 208 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jkz n GLY 209 N 1.16 -0.23 0.70 1.08 0.00 -0.94 -4.94 105.19 102.02 2jkz n GLY 209 Ca 0.16 0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.26 2jkz n GLY 209 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jkz n ASN 210 N -2.55 1.54 -0.98 1.61 3.02 0.16 -5.02 115.26 113.04 2jkz n ASN 210 Ca -0.17 -3.21 0.00 0.00 -0.03 0.00 0.00 54.58 51.18 2jkz n ASN 210 Cb 0.61 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 2jkz n ASN 210 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2jkz n ASP 211 N -0.74 1.11 -4.37 6.41 2.03 -1.26 -3.27 116.55 116.46 2jkz n ASP 211 Ca 0.14 -0.49 -0.36 0.00 0.52 0.00 0.00 54.79 54.60 2jkz n ASP 211 Cb 0.78 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 41.25 2jkz n ASP 211 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2jkz n ILE 212 N -0.22 0.99 -1.25 5.18 -5.35 -1.26 -4.75 119.36 112.71 2jkz n ILE 212 Ca 0.00 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 2jkz n ILE 212 Cb 0.00 -0.53 0.00 0.00 -1.74 0.00 0.00 39.64 37.37 2jkz n ILE 212 CO 0.00 0.00 0.00 2.22 -1.76 0.00 0.00 176.55 177.01 2jkz n PHE 213 N -2.53 0.00 -3.78 4.28 1.16 -1.26 -5.03 117.46 110.29 2jkz n PHE 213 Ca 0.07 -0.02 -0.14 0.00 -1.87 0.00 0.00 57.45 55.49 2jkz n PHE 213 Cb 0.51 -0.02 -0.15 0.00 -1.61 0.00 0.00 39.48 38.21 2jkz n PHE 213 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2jkz s ILE 214 N -0.06 -0.05 0.82 1.97 1.01 -1.26 -5.18 121.20 118.46 2jkz s ILE 214 Ca 0.00 0.17 -0.06 0.00 0.00 0.00 0.00 60.65 60.76 2jkz s ILE 214 Cb 0.00 -0.12 0.16 0.00 0.01 0.00 0.00 42.46 42.52 2jkz s ILE 214 CO 0.00 0.07 1.13 -2.16 0.00 0.00 0.00 174.94 173.98 2jkz s PRO 215 N 0.91 1.20 0.00 2.79 0.04 -1.26 -5.12 135.00 133.56 2jkz s PRO 215 Ca -0.07 -0.93 0.00 0.00 0.04 0.00 0.00 61.00 60.04 2jkz s PRO 215 Cb -0.10 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2jkz s PRO 215 CO -0.03 -1.87 0.00 0.39 0.04 0.00 0.00 177.00 175.53 2jkz n GLU 216 N -3.21 -1.34 0.00 4.56 1.02 -1.26 -5.26 120.64 115.15 2jkz n GLU 216 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2jkz n GLU 216 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 2jkz n GLU 216 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35