#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 1.06 -0.31 0.11 1.02 -1.26 -4.54 119.74 115.81 2jkz s LYS 6 Ca 0.00 -1.47 -0.04 0.00 0.02 0.00 0.00 55.97 54.49 2jkz s LYS 6 Cb 0.00 -0.50 0.04 0.00 -0.52 0.00 0.00 37.83 36.85 2jkz s LYS 6 CO 0.00 0.01 0.03 -0.65 -0.92 0.00 0.00 175.35 173.82 2jkz s GLN 7 N -3.80 2.57 -0.13 1.68 -1.52 -0.43 -5.01 119.66 113.02 2jkz s GLN 7 Ca 0.18 -1.19 -0.24 0.00 -1.95 0.00 0.00 55.36 52.16 2jkz s GLN 7 Cb 0.04 -3.26 -0.03 0.00 -0.22 0.00 0.00 33.01 29.54 2jkz s GLN 7 CO 0.01 -0.60 0.76 0.71 -0.25 0.00 0.00 175.29 175.91 2jkz s TYR 8 N 1.32 3.48 -0.18 0.91 2.02 -1.26 -1.16 117.35 122.48 2jkz s TYR 8 Ca -0.03 1.22 -0.04 0.00 -0.37 0.00 0.00 57.07 57.84 2jkz s TYR 8 Cb -0.19 -2.90 -0.02 0.00 -0.40 0.00 0.00 41.96 38.44 2jkz s TYR 8 CO 0.00 -0.10 -0.02 0.42 -1.57 0.00 0.00 175.55 174.28 2jkz s ILE 9 N 1.55 3.88 0.48 2.71 -1.09 -0.70 -4.22 121.20 123.82 2jkz s ILE 9 Ca 0.37 -0.35 -0.07 0.00 -2.23 0.00 0.00 60.65 58.37 2jkz s ILE 9 Cb -0.17 -2.73 -0.04 0.00 -1.58 0.00 0.00 42.46 37.94 2jkz s ILE 9 CO 0.15 0.46 0.82 -0.94 -1.23 0.00 0.00 174.94 174.20 2jkz s SER 10 N 0.70 6.32 0.10 3.58 1.04 -1.21 -2.74 113.70 121.49 2jkz s SER 10 Ca -0.01 1.05 -0.27 0.00 0.48 0.00 0.00 55.95 57.20 2jkz s SER 10 Cb -0.14 -2.30 -0.12 0.00 0.10 0.00 0.00 66.02 63.55 2jkz s SER 10 CO 0.02 -0.58 1.67 1.88 0.98 0.00 0.00 173.24 177.21 2jkz h TYR 11 N 0.41 -0.52 -0.57 5.02 0.05 -1.95 -1.86 116.97 117.55 2jkz h TYR 11 Ca -0.47 0.00 0.16 0.00 0.05 0.00 0.00 58.73 58.48 2jkz h TYR 11 Cb 1.20 0.20 -0.02 0.00 1.01 0.00 0.00 36.73 39.11 2jkz h TYR 11 CO 0.60 -0.30 0.49 -0.91 -1.05 0.00 0.00 178.16 176.99 2jkz h ASN 12 N -0.44 0.00 0.04 3.88 4.21 -1.94 -0.16 115.58 121.18 2jkz h ASN 12 Ca -0.01 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.50 2jkz h ASN 12 Cb 0.40 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 2jkz h ASN 12 CO -0.03 0.00 -0.02 -1.13 -1.29 0.00 0.00 177.43 174.95 2jkz h ASN 13 N 0.00 -0.05 -0.96 5.81 -0.73 -1.59 -2.21 115.58 115.85 2jkz h ASN 13 Ca 0.27 -0.58 0.21 0.00 1.87 0.00 0.00 56.30 58.07 2jkz h ASN 13 Cb 1.24 0.01 -0.08 0.00 0.27 0.00 0.00 38.32 39.76 2jkz h ASN 13 CO -0.00 0.59 0.62 0.58 -0.37 0.00 0.00 177.43 178.84 2jkz h VAL 14 N -0.73 0.67 -0.31 2.57 2.07 -0.53 0.80 116.25 120.79 2jkz h VAL 14 Ca -0.01 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 2jkz h VAL 14 Cb 0.63 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2jkz h VAL 14 CO 0.01 0.09 0.05 -0.74 0.02 0.00 0.00 177.57 177.00 2jkz h HIS 15 N 0.51 0.55 -0.04 1.57 -0.00 -0.93 -2.34 115.15 114.47 2jkz h HIS 15 Ca 0.52 -0.08 -0.13 0.00 -0.00 0.00 0.00 60.37 60.68 2jkz h HIS 15 Cb 1.14 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 28.39 2jkz h HIS 15 CO -0.00 0.60 -0.57 1.96 -0.00 0.00 0.00 177.93 179.92 2jkz h GLN 16 N 0.33 0.11 -0.24 5.26 4.20 -0.41 -1.54 115.11 122.83 2jkz h GLN 16 Ca 0.09 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2jkz h GLN 16 Cb 0.35 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2jkz h GLN 16 CO 0.01 0.65 0.13 -0.07 -0.67 0.00 0.00 178.83 178.88 2jkz h LEU 17 N 0.09 0.30 -0.36 1.46 3.38 -0.79 -1.31 115.31 118.06 2jkz h LEU 17 Ca -0.00 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2jkz h LEU 17 Cb 1.03 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 2jkz h LEU 17 CO 0.08 0.29 0.22 0.00 0.09 0.00 0.00 178.44 179.12 2jkz h GLN 19 N 0.44 -0.43 -0.51 0.00 4.15 -0.66 0.47 115.11 118.58 2jkz h GLN 19 Ca 0.14 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.56 2jkz h GLN 19 Cb -0.00 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 2jkz h GLN 19 CO -0.06 -0.29 0.18 -0.39 -1.93 0.00 0.00 178.83 176.34 2jkz h VAL 20 N -0.45 1.22 0.00 2.39 -1.51 -1.18 -2.27 116.25 114.45 2jkz h VAL 20 Ca 0.09 -0.73 -0.02 0.00 -1.23 0.00 0.00 66.70 64.81 2jkz h VAL 20 Cb 0.61 0.75 -0.00 0.00 -2.13 0.00 0.00 31.29 30.52 2jkz h VAL 20 CO -0.43 0.27 -0.10 0.28 -1.23 0.00 0.00 177.57 176.36 2jkz h SER 21 N 0.68 0.00 -0.95 4.19 0.02 -0.76 -2.75 113.55 113.99 2jkz h SER 21 Ca 0.17 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 61.28 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 0.10 0.55 0.00 -1.14 0.00 0.00 176.83 176.33 2jkz h ALA 22 N 1.90 1.50 0.82 3.77 0.00 0.55 -2.15 119.26 125.64 2jkz h ALA 22 Ca -0.00 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2jkz h ALA 22 Cb 0.24 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jkz h ALA 22 CO 0.01 -0.01 -0.39 0.93 0.00 0.00 0.00 179.25 179.79 2jkz h GLU 23 N 0.76 -1.06 -0.79 0.00 4.39 -1.60 -1.78 114.58 114.50 2jkz h GLU 23 Ca 0.52 0.07 0.16 0.00 0.34 0.00 0.00 59.36 60.46 2jkz h GLU 23 Cb 0.73 0.24 -0.10 0.00 -0.10 0.00 0.00 28.75 29.52 2jkz h GLU 23 CO -0.35 -0.70 0.31 0.00 -1.16 0.00 0.00 179.01 177.10 2jkz h ARG 24 N -1.29 0.41 0.00 2.33 3.08 -1.67 0.38 114.38 117.61 2jkz h ARG 24 Ca -0.11 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 2jkz h ARG 24 Cb 0.84 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 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 0.93 0.00 2.04 2.04 -1.34 -2.63 117.51 118.96 2jkz h ILE 25 Ca 0.45 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 66.07 2jkz h ILE 25 Cb 0.74 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 2jkz h ILE 25 CO -0.45 0.07 0.10 0.11 0.00 0.00 0.00 178.15 177.98 2jkz h LYS 26 N 0.00 0.00 0.14 2.37 1.57 0.68 -2.79 116.57 118.54 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 -0.07 -0.91 -0.57 0.00 0.00 179.45 177.91 2jkz h ASN 27 N 0.00 -0.16 -0.56 0.86 2.35 -1.57 -3.21 115.58 113.29 2jkz h ASN 27 Ca 0.00 0.01 0.16 0.00 -0.55 0.00 0.00 56.30 55.92 2jkz h ASN 27 Cb 0.19 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 2jkz h ASN 27 CO 0.00 0.04 0.89 0.33 -1.65 0.00 0.00 177.43 177.03 2jkz n PHE 28 N -3.37 0.00 -3.65 1.19 7.35 -1.06 -4.74 117.46 113.18 2jkz n PHE 28 Ca -0.02 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.45 2jkz n PHE 28 Cb 0.07 -0.14 0.00 0.00 0.35 0.00 0.00 39.48 39.77 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 -2.55 -1.39 -1.95 -4.13 4.81 -1.22 -4.87 118.16 106.86 2jkz n LYS 29 Ca 0.13 0.85 -0.39 0.00 -0.87 0.00 0.00 58.31 58.02 2jkz n LYS 29 Cb 1.05 -3.14 0.01 0.00 0.02 0.00 0.00 35.03 32.97 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 -4.77 3.63 -0.08 1.64 0.04 -1.26 -4.73 135.00 129.47 2jkz s PRO 30 Ca 0.06 2.17 0.21 0.00 0.04 0.00 0.00 61.00 63.49 2jkz s PRO 30 Cb -0.03 -2.53 -0.31 0.00 0.04 0.00 0.00 34.50 31.67 2jkz s PRO 30 CO 0.87 -0.78 0.36 -0.25 0.04 0.00 0.00 177.00 177.24 2jkz n ASP 31 N -0.38 0.01 -3.49 6.66 9.92 0.30 -4.96 116.55 124.60 2jkz n ASP 31 Ca 0.06 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.22 2jkz n ASP 31 Cb 0.44 1.71 -0.03 0.00 -0.64 0.00 0.00 41.12 42.61 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 -4.79 -0.45 -0.08 0.64 2.34 -1.22 -4.47 118.68 110.65 2jkz s LEU 32 Ca -0.09 0.11 0.04 0.00 0.06 0.00 0.00 54.13 54.25 2jkz s LEU 32 Cb 0.12 2.22 -0.02 0.00 -0.56 0.00 0.00 46.19 47.95 2jkz s LEU 32 CO 0.89 -0.69 -0.19 -0.63 -1.06 0.00 0.00 176.35 174.67 2jkz s ILE 33 N -2.92 2.58 -0.20 1.48 1.01 0.05 -2.15 121.20 121.05 2jkz s ILE 33 Ca 0.02 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 2jkz s ILE 33 Cb -0.01 -2.00 0.01 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 2.54 -0.18 2.92 1.01 -0.29 -0.11 121.20 126.92 2jkz s ILE 34 Ca -0.02 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.70 2jkz s ILE 34 Cb -0.14 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 2jkz s ILE 34 CO 0.03 0.44 0.06 0.00 0.00 0.00 0.00 174.94 175.48 2jkz s ALA 35 N 1.34 3.42 -0.37 9.38 0.00 0.13 -0.93 121.76 134.73 2jkz s ALA 35 Ca 0.04 -0.74 -0.24 0.00 0.00 0.00 0.00 51.96 51.02 2jkz s ALA 35 Cb -0.14 -1.92 0.01 0.00 0.00 0.00 0.00 23.12 21.07 2jkz s ALA 35 CO -0.09 0.20 0.84 0.42 0.00 0.00 0.00 175.76 177.13 2jkz s ILE 36 N 0.32 4.67 0.07 0.00 1.01 0.09 -1.02 121.20 126.34 2jkz s ILE 36 Ca 0.03 1.01 0.00 0.00 0.00 0.00 0.00 60.65 61.69 2jkz s ILE 36 Cb -0.12 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.08 2jkz s ILE 36 CO 0.00 -0.48 0.00 0.61 0.00 0.00 0.00 174.94 175.07 2jkz n GLY 37 N 4.48 -1.28 0.10 6.18 0.00 0.37 -1.46 105.19 113.58 2jkz n GLY 37 Ca 0.05 -1.08 -0.03 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.27 0.00 0.39 -0.02 0.00 -1.91 -2.78 103.07 98.47 2jkz h GLY 38 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.42 2jkz h GLY 38 CO 0.00 0.00 0.11 -1.33 0.00 0.00 0.00 176.54 175.33 2jkz h GLY 39 N 2.76 0.62 1.89 4.60 0.00 -1.99 -1.32 103.07 109.63 2jkz h GLY 39 Ca -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 2jkz h GLY 39 CO 0.10 -0.06 -0.23 -1.33 0.00 0.00 0.00 176.54 175.03 2jkz h GLY 40 N 0.26 0.00 0.71 4.60 0.00 -1.27 -3.34 103.07 104.02 2jkz h GLY 40 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 2jkz h GLY 40 CO -0.31 0.00 -0.11 -2.75 0.00 0.00 0.00 176.54 173.37 2jkz h PHE 41 N 0.00 -0.29 -0.31 5.60 3.04 -0.96 -1.80 116.94 122.23 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 1.10 0.09 -0.08 0.00 2.56 0.00 0.00 35.95 39.62 2jkz h PHE 41 CO 0.00 0.02 -0.34 0.82 -2.02 0.00 0.00 178.31 176.79 2jkz h ILE 42 N -0.60 0.23 -0.33 1.41 2.04 -1.59 0.29 117.51 118.95 2jkz h ILE 42 Ca -0.03 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 2jkz h ILE 42 Cb 0.44 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 2jkz h ILE 42 CO 0.05 0.00 -0.11 1.55 0.00 0.00 0.00 178.15 179.64 2jkz h PRO 43 N -0.31 0.56 -0.36 2.37 0.13 -1.74 -2.16 132.00 130.49 2jkz h PRO 43 Ca 0.14 -0.16 0.02 0.00 -0.87 0.00 0.00 66.00 65.13 2jkz h PRO 43 Cb 0.55 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.59 2jkz h PRO 43 CO -0.48 0.66 0.19 0.00 -0.23 0.00 0.00 178.00 178.14 2jkz h ALA 44 N 1.37 0.44 -0.67 -0.56 0.00 -0.25 0.36 119.26 119.95 2jkz h ALA 44 Ca 0.10 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2jkz h ALA 44 Cb 0.50 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2jkz h ALA 44 CO 0.03 -0.18 0.44 -0.09 0.00 0.00 0.00 179.25 179.45 2jkz h ARG 45 N 0.38 0.87 0.21 0.00 9.65 -0.18 -1.43 114.38 123.88 2jkz h ARG 45 Ca 0.15 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.96 2jkz h ARG 45 Cb 0.04 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.43 2jkz h ARG 45 CO -0.09 0.57 -0.10 0.82 2.80 0.00 0.00 179.97 183.97 2jkz h ILE 46 N 0.89 0.85 -1.11 1.20 2.04 -0.94 -2.62 117.51 117.81 2jkz h ILE 46 Ca 0.25 -0.32 0.34 0.00 1.00 0.00 0.00 64.86 66.12 2jkz h ILE 46 Cb -0.09 1.04 -0.12 0.00 -0.74 0.00 0.00 36.82 36.91 2jkz h ILE 46 CO -0.06 0.07 0.69 0.25 0.00 0.00 0.00 178.15 179.11 2jkz h LEU 47 N -0.44 0.41 -0.03 1.44 7.12 0.02 0.15 115.31 123.99 2jkz h LEU 47 Ca -0.03 0.14 -0.00 0.00 0.13 0.00 0.00 57.88 58.12 2jkz h LEU 47 Cb 0.34 0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 40.55 2jkz h LEU 47 CO 0.05 -0.07 0.01 -0.09 -0.13 0.00 0.00 178.44 178.21 2jkz h ARG 48 N 0.28 0.04 -1.11 1.25 2.43 -0.88 -2.79 114.38 113.60 2jkz h ARG 48 Ca 0.71 -0.01 0.31 0.00 -0.81 0.00 0.00 59.98 60.19 2jkz h ARG 48 Cb 1.89 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 31.32 2jkz h ARG 48 CO -0.44 0.16 0.71 1.15 -1.51 0.00 0.00 179.97 180.05 2jkz h THR 49 N -0.09 0.41 0.00 0.20 2.02 -0.63 0.20 112.91 115.01 2jkz h THR 49 Ca 0.01 -0.10 -0.09 0.00 0.77 0.00 0.00 66.41 66.99 2jkz h THR 49 Cb 0.13 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 2jkz h THR 49 CO -0.00 0.06 -0.48 -0.26 0.37 0.00 0.00 175.52 175.20 2jkz h PHE 50 N 0.30 0.00 -0.01 3.16 0.04 -1.45 -3.27 116.94 115.71 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 1.80 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.95 2jkz h PHE 50 CO -0.00 0.44 -0.03 1.28 -0.60 0.00 0.00 178.31 179.39 2jkz n LEU 51 N -3.19 0.68 -4.67 1.54 4.77 0.68 -4.87 117.00 111.93 2jkz n LEU 51 Ca 0.02 -0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.39 2jkz n LEU 51 Cb 0.71 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.73 2jkz n LEU 51 CO 0.40 0.12 1.17 -0.75 -1.33 0.00 0.00 177.39 176.99 2jkz s LYS 52 N -2.13 4.25 -0.12 3.23 2.47 -1.07 -4.98 119.74 121.39 2jkz s LYS 52 Ca 0.39 1.92 0.03 0.00 -1.56 0.00 0.00 55.97 56.75 2jkz s LYS 52 Cb 0.21 -3.73 0.00 0.00 -1.46 0.00 0.00 37.83 32.85 2jkz s LYS 52 CO 0.39 -0.68 -0.22 -1.21 0.16 0.00 0.00 175.35 173.79 2jkz s GLU 53 N 3.13 3.07 -0.04 4.03 2.02 -1.26 -5.09 118.70 124.56 2jkz s GLU 53 Ca 0.63 -0.85 -0.29 0.00 0.02 0.00 0.00 54.97 54.48 2jkz s GLU 53 Cb -0.29 -2.39 -0.14 0.00 0.10 0.00 0.00 34.13 31.41 2jkz s GLU 53 CO 0.24 0.10 0.80 -0.35 0.02 0.00 0.00 175.26 176.08 2jkz n PRO 54 N 3.75 0.00 0.00 0.39 -0.04 -1.26 -2.06 135.00 135.77 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 0.52 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 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 1.27 1.92 3.68 0.55 0.00 -1.26 -4.98 105.19 106.37 2jkz n GLY 55 Ca 0.15 -0.23 -0.45 0.00 0.00 0.00 0.00 46.02 45.50 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 0.32 -1.66 1.61 0.31 -0.88 -4.93 118.33 113.10 2jkz n VAL 56 Ca 0.00 -0.06 -0.39 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 31.08 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 5.25 1.41 -2.06 5.55 -0.04 -1.26 -4.60 135.00 139.25 2jkz n PRO 57 Ca 0.19 0.52 -0.42 0.00 -0.04 0.00 0.00 63.50 63.75 2jkz n PRO 57 Cb 0.33 -2.27 -0.03 0.00 -0.04 0.00 0.00 33.50 31.49 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 -1.34 2.90 0.52 0.52 2.01 -1.26 -4.96 115.64 114.03 2jkz s THR 58 Ca 0.69 0.69 -0.22 0.00 0.31 0.00 0.00 61.69 63.15 2jkz s THR 58 Cb -0.47 -3.44 -0.07 0.00 0.01 0.00 0.00 72.50 68.53 2jkz s THR 58 CO 0.52 0.08 1.17 0.00 -0.69 0.00 0.00 174.62 175.70 2jkz n ILE 59 N 3.30 3.32 -3.33 1.82 3.06 -1.26 -4.99 119.36 121.28 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 0.41 -1.41 -0.06 0.00 0.54 0.00 0.00 39.64 39.11 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 -2.58 3.96 -0.16 9.51 0.52 -1.26 -4.95 118.95 123.99 2jkz s ARG 60 Ca 0.69 0.48 0.01 0.00 -0.52 0.00 0.00 55.73 56.40 2jkz s ARG 60 Cb -0.46 -2.82 0.01 0.00 0.52 0.00 0.00 34.95 32.21 2jkz s ARG 60 CO 0.51 0.41 -0.19 0.42 0.02 0.00 0.00 175.30 176.47 2jkz s ILE 61 N -1.60 2.21 -0.20 1.52 1.01 -1.26 -0.77 121.20 122.11 2jkz s ILE 61 Ca 0.42 -0.91 -0.04 0.00 0.00 0.00 0.00 60.65 60.12 2jkz s ILE 61 Cb -0.14 -1.91 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 2jkz s ILE 61 CO 0.20 0.53 -0.04 -0.36 0.00 0.00 0.00 174.94 175.27 2jkz s PHE 62 N 1.03 2.97 0.09 3.97 0.40 0.84 -4.97 117.98 122.31 2jkz s PHE 62 Ca -0.01 -0.75 -0.18 0.00 -0.60 0.00 0.00 56.93 55.38 2jkz s PHE 62 Cb -0.14 -2.07 -0.07 0.00 0.51 0.00 0.00 43.02 41.25 2jkz s PHE 62 CO -0.06 -0.41 0.57 0.00 0.70 0.00 0.00 175.22 176.02 2jkz s ALA 63 N 1.20 3.58 -0.00 5.36 0.00 -1.26 0.17 121.76 130.81 2jkz s ALA 63 Ca 0.03 -0.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.95 2jkz s ALA 63 Cb -0.14 -2.61 -0.00 0.00 0.00 0.00 0.00 23.12 20.36 2jkz s ALA 63 CO -0.01 0.41 0.07 0.96 0.00 0.00 0.00 175.76 177.19 2jkz s ILE 64 N -1.21 0.07 -0.10 0.00 -4.36 -0.19 -4.69 121.20 110.73 2jkz s ILE 64 Ca 0.31 -0.58 0.03 0.00 -0.26 0.00 0.00 60.65 60.15 2jkz s ILE 64 Cb -0.18 -0.29 -0.01 0.00 1.25 0.00 0.00 42.46 43.23 2jkz s ILE 64 CO 0.19 -0.32 -0.19 -0.63 0.24 0.00 0.00 174.94 174.23 2jkz s ILE 65 N -1.02 2.55 -0.11 8.37 -1.09 -0.25 -0.47 121.20 129.18 2jkz s ILE 65 Ca -0.11 -0.86 0.00 0.00 -2.23 0.00 0.00 60.65 57.45 2jkz s ILE 65 Cb -0.07 -2.01 0.02 0.00 -1.58 0.00 0.00 42.46 38.83 2jkz s ILE 65 CO 0.00 0.55 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.95 2jkz s LEU 66 N 0.14 1.32 -0.19 2.97 0.20 -1.26 -2.57 118.68 119.29 2jkz s LEU 66 Ca -0.10 -0.32 -0.06 0.00 0.69 0.00 0.00 54.13 54.34 2jkz s LEU 66 Cb -0.16 -0.87 -0.03 0.00 -0.43 0.00 0.00 46.19 44.70 2jkz s LEU 66 CO 0.06 -0.08 0.02 -0.44 -0.29 0.00 0.00 176.35 175.62 2jkz s SER 67 N 1.48 5.13 -0.20 3.68 0.01 -0.70 -4.97 113.70 118.13 2jkz s SER 67 Ca 0.01 -0.10 -0.03 0.00 1.31 0.00 0.00 55.95 57.14 2jkz s SER 67 Cb -0.13 -1.88 -0.01 0.00 0.21 0.00 0.00 66.02 64.21 2jkz s SER 67 CO -0.06 0.10 -0.07 -0.76 0.41 0.00 0.00 173.24 172.86 2jkz s LEU 68 N 0.78 2.81 0.32 2.44 1.43 -1.26 -0.98 118.68 124.22 2jkz s LEU 68 Ca 0.01 -0.39 0.10 0.00 -1.03 0.00 0.00 54.13 52.82 2jkz s LEU 68 Cb -0.14 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 2jkz s LEU 68 CO 0.02 0.02 -0.04 -0.31 0.23 0.00 0.00 176.35 176.28 2jkz s TYR 69 N 1.20 2.50 0.00 0.29 2.02 0.31 -4.96 117.35 118.72 2jkz s TYR 69 Ca 0.02 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.31 2jkz s TYR 69 Cb -0.14 -1.37 0.00 0.00 -0.40 0.00 0.00 41.96 40.05 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 -0.87 1.03 0.00 -0.62 2.13 -1.26 -0.73 120.64 120.31 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 0.62 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.33 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 3.16 -4.91 4.31 8.00 -1.26 -4.96 116.55 120.90 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 -1.75 5.37 -0.16 2.53 1.01 -1.26 -5.40 120.40 120.73 2jkz s VAL 84 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.76 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 0.19 -0.17 -0.75 0.00 0.00 0.00 175.10 174.37 2jkz s LYS 85 N -2.32 2.64 0.01 2.72 2.47 0.09 -4.99 119.74 120.36 2jkz s LYS 85 Ca 0.33 -0.69 -0.02 0.00 -1.56 0.00 0.00 55.97 54.03 2jkz s LYS 85 Cb -0.13 -2.31 -0.04 0.00 -1.46 0.00 0.00 37.83 33.89 2jkz s LYS 85 CO 0.24 -0.20 0.19 0.14 0.16 0.00 0.00 175.35 175.88 2jkz s VAL 86 N 1.33 5.39 -0.16 4.02 -7.23 -1.26 -0.53 120.40 121.95 2jkz s VAL 86 Ca 0.03 -0.25 -0.04 0.00 -1.81 0.00 0.00 61.98 59.91 2jkz s VAL 86 Cb -0.13 -3.55 0.08 0.00 0.56 0.00 0.00 36.38 33.33 2jkz s VAL 86 CO -0.11 0.26 0.20 -0.55 -0.31 0.00 0.00 175.10 174.60 2jkz s SER 87 N -2.13 1.19 -1.23 4.85 0.15 -0.15 -4.98 113.70 111.40 2jkz s SER 87 Ca 0.30 -0.03 -0.20 0.00 0.70 0.00 0.00 55.95 56.72 2jkz s SER 87 Cb -0.13 0.34 0.01 0.00 -1.71 0.00 0.00 66.02 64.53 2jkz s SER 87 CO 0.22 -0.30 1.80 -0.13 1.20 0.00 0.00 173.24 176.03 2jkz s ARG 88 N 2.31 3.37 0.27 5.44 0.52 -1.26 -1.72 118.95 127.89 2jkz s ARG 88 Ca 0.05 -1.58 -0.03 0.00 -0.52 0.00 0.00 55.73 53.64 2jkz s ARG 88 Cb -0.14 -5.40 0.39 0.00 0.52 0.00 0.00 34.95 30.31 2jkz s ARG 88 CO -0.10 -2.93 1.92 1.15 0.02 0.00 0.00 175.30 175.37 2jkz h THR 89 N 5.92 1.17 -2.65 0.02 2.02 -1.87 -3.40 112.91 114.12 2jkz h THR 89 Ca 0.34 -0.41 -0.14 0.00 0.77 0.00 0.00 66.41 66.96 2jkz h THR 89 Cb 0.91 -0.15 -0.29 0.00 -1.74 0.00 0.00 68.15 66.88 2jkz h THR 89 CO 1.36 0.22 -0.43 -1.10 0.37 0.00 0.00 175.52 175.94 2jkz s GLN 90 N -6.02 0.25 0.37 6.66 -0.21 -1.08 -4.93 119.66 114.70 2jkz s GLN 90 Ca -0.12 0.92 0.04 0.00 0.02 0.00 0.00 55.36 56.22 2jkz s GLN 90 Cb 0.19 0.19 -0.05 0.00 1.00 0.00 0.00 33.01 34.33 2jkz s GLN 90 CO 0.81 -0.27 0.07 -0.46 -2.12 0.00 0.00 175.29 173.32 2jkz s TRP 91 N 2.54 1.94 -0.27 0.91 -0.11 -1.26 -1.08 118.94 121.60 2jkz s TRP 91 Ca -0.00 -1.02 -0.28 0.00 1.22 0.00 0.00 56.10 56.01 2jkz s TRP 91 Cb -0.12 -1.31 0.01 0.00 -1.50 0.00 0.00 33.47 30.55 2jkz s TRP 91 CO -0.11 -0.03 1.00 0.42 -4.62 0.00 0.00 176.95 173.61 2jkz s ILE 92 N -3.21 4.65 -1.35 5.86 1.01 -1.26 -4.95 121.20 121.95 2jkz s ILE 92 Ca 0.31 1.77 -0.15 0.00 0.00 0.00 0.00 60.65 62.58 2jkz s ILE 92 Cb 0.07 -4.31 0.08 0.00 0.01 0.00 0.00 42.46 38.31 2jkz s ILE 92 CO 0.14 -0.29 1.90 -0.67 0.00 0.00 0.00 174.94 176.02 2jkz n ASP 93 N 6.48 4.60 -0.42 3.58 -0.08 -1.26 -4.77 116.55 124.68 2jkz n ASP 93 Ca 0.10 -2.92 0.34 0.00 -1.51 0.00 0.00 54.79 50.80 2jkz n ASP 93 Cb 0.47 -1.66 0.62 0.00 2.34 0.00 0.00 41.12 42.88 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 6.72 0.57 0.00 -0.67 0.05 -1.92 -1.77 116.97 119.95 2jkz h TYR 94 Ca 0.47 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.28 2jkz h TYR 94 Cb 0.76 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.35 2jkz h TYR 94 CO 1.38 -0.18 0.00 0.39 -1.05 0.00 0.00 178.16 178.70 2jkz n GLU 95 N -4.72 0.00 0.28 4.88 -0.58 -1.26 -0.17 120.64 119.07 2jkz n GLU 95 Ca 0.35 0.19 0.16 0.00 -0.42 0.00 0.00 57.16 57.43 2jkz n GLU 95 Cb 1.32 -0.89 0.91 0.00 -0.57 0.00 0.00 31.44 32.21 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 -1.93 -1.09 115.11 115.58 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 -0.16 0.00 0.00 0.00 0.00 178.83 178.67 2jkz n LYS 98 N -3.04 -4.18 -4.41 0.00 5.02 0.76 -5.00 118.16 107.31 2jkz n LYS 98 Ca 0.03 0.83 -0.34 0.00 -2.02 0.00 0.00 58.31 56.81 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 -5.92 3.01 -0.30 -0.35 2.96 -0.96 -5.07 118.68 112.06 2jkz s LEU 99 Ca 0.24 -0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 53.90 2jkz s LEU 99 Cb -0.04 -1.72 0.06 0.00 0.50 0.00 0.00 46.19 44.99 2jkz s LEU 99 CO 0.75 0.13 -0.02 -0.62 -1.32 0.00 0.00 176.35 175.27 2jkz s ASP 100 N 0.60 4.78 0.14 3.68 2.15 -1.26 -4.84 116.67 121.92 2jkz s ASP 100 Ca -0.04 -1.41 0.22 0.00 0.43 0.00 0.00 52.55 51.75 2jkz s ASP 100 Cb -0.15 -1.67 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 4.54 0.41 -4.67 -1.34 4.32 -1.26 -4.70 117.00 114.30 2jkz n LEU 101 Ca -0.12 0.58 -0.42 0.00 -0.02 0.00 0.00 56.01 56.03 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 -0.32 1.40 -0.69 -1.22 0.00 0.00 177.39 176.81 2jkz s VAL 102 N -3.14 3.24 -1.44 4.08 1.01 -1.26 -2.62 120.40 120.27 2jkz s VAL 102 Ca 0.08 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.53 2jkz s VAL 102 Cb 0.11 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2jkz s VAL 102 CO 0.41 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.10 2jkz n GLY 103 N 4.16 1.04 3.73 4.51 0.00 0.21 -5.01 105.19 113.83 2jkz n GLY 103 Ca 0.17 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.60 2.40 -0.36 1.61 -0.14 -1.08 -4.99 119.74 113.59 2jkz s LYS 104 Ca 0.00 -1.49 -0.05 0.00 -1.36 0.00 0.00 55.97 53.07 2jkz s LYS 104 Cb 0.00 -2.20 0.06 0.00 -1.68 0.00 0.00 37.83 34.01 2jkz s LYS 104 CO 0.00 0.17 0.13 -0.80 -0.76 0.00 0.00 175.35 174.09 2jkz s ASN 105 N -3.82 5.25 -0.12 2.83 0.02 -1.26 -2.32 114.94 115.52 2jkz s ASN 105 Ca 0.36 -1.42 -0.13 0.00 -1.02 0.00 0.00 52.86 50.66 2jkz s ASN 105 Cb -0.04 -1.84 -0.05 0.00 0.02 0.00 0.00 41.25 39.34 2jkz s ASN 105 CO 0.22 -0.39 0.28 -0.69 0.02 0.00 0.00 177.10 176.55 2jkz s VAL 106 N 1.32 5.29 -0.24 1.60 1.01 -0.32 -0.54 120.40 128.51 2jkz s VAL 106 Ca 0.00 0.53 -0.03 0.00 0.00 0.00 0.00 61.98 62.48 2jkz s VAL 106 Cb -0.21 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.58 2jkz s VAL 106 CO 0.00 0.47 -0.03 -0.22 0.00 0.00 0.00 175.10 175.32 2jkz s LEU 107 N -0.14 3.16 -0.11 3.92 2.96 -0.91 0.11 118.68 127.67 2jkz s LEU 107 Ca 0.17 -0.67 -0.22 0.00 -0.22 0.00 0.00 54.13 53.20 2jkz s LEU 107 Cb -0.13 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 2jkz s LEU 107 CO 0.06 -0.10 0.65 -0.63 -1.32 0.00 0.00 176.35 175.01 2jkz s ILE 108 N 1.41 5.06 0.03 6.68 1.01 0.42 -1.14 121.20 134.67 2jkz s ILE 108 Ca 0.03 1.31 0.09 0.00 0.00 0.00 0.00 60.65 62.08 2jkz s ILE 108 Cb -0.16 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 2jkz s ILE 108 CO -0.03 0.22 -0.25 -0.69 0.00 0.00 0.00 174.94 174.19 2jkz s VAL 109 N 1.10 2.00 -0.16 2.92 1.01 -0.10 -0.32 120.40 126.86 2jkz s VAL 109 Ca 0.34 -1.27 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 2jkz s VAL 109 Cb -0.17 -1.70 0.11 0.00 0.00 0.00 0.00 36.38 34.62 2jkz s VAL 109 CO 0.15 0.38 0.91 -0.62 0.00 0.00 0.00 175.10 175.91 2jkz s ASP 110 N -1.07 -0.47 0.08 3.32 2.15 -0.94 -0.73 116.67 119.00 2jkz s ASP 110 Ca 0.10 0.61 -0.24 0.00 0.43 0.00 0.00 52.55 53.45 2jkz s ASP 110 Cb -0.10 0.51 -0.16 0.00 -0.30 0.00 0.00 42.92 42.88 2jkz s ASP 110 CO 0.01 -0.37 1.68 1.05 -0.17 0.00 0.00 175.17 177.37 2jkz h GLU 111 N 3.05 -0.11 -4.43 4.34 9.09 -1.85 -3.34 114.58 121.34 2jkz h GLU 111 Ca -0.23 0.01 -0.27 0.00 0.05 0.00 0.00 59.36 58.93 2jkz h GLU 111 Cb 1.16 0.03 -0.22 0.00 -1.65 0.00 0.00 28.75 28.06 2jkz h GLU 111 CO 0.29 -0.04 -0.73 0.54 0.05 0.00 0.00 179.01 179.12 2jkz s VAL 112 N -6.00 0.45 -0.41 -1.06 0.11 -1.26 -0.41 120.40 111.81 2jkz s VAL 112 Ca -0.14 -0.91 -0.12 0.00 -2.93 0.00 0.00 61.98 57.89 2jkz s VAL 112 Cb 0.05 -0.51 0.05 0.00 -1.53 0.00 0.00 36.38 34.45 2jkz s VAL 112 CO 0.65 -0.32 0.27 -0.62 -3.33 0.00 0.00 175.10 171.75 2jkz s ASP 113 N -1.32 5.83 0.00 3.54 -1.08 0.42 -4.96 116.67 119.10 2jkz s ASP 113 Ca -0.09 -1.19 0.00 0.00 -0.52 0.00 0.00 52.55 50.75 2jkz s ASP 113 Cb -0.09 -2.06 0.00 0.00 -1.46 0.00 0.00 42.92 39.31 2jkz s ASP 113 CO 0.00 -0.49 0.00 -0.67 0.52 0.00 0.00 175.17 174.54 2jkz n ASP 114 N 5.03 0.00 -0.47 -0.34 2.03 -1.26 -1.37 116.55 120.17 2jkz n ASP 114 Ca -0.11 0.01 0.06 0.00 0.52 0.00 0.00 54.79 55.27 2jkz n ASP 114 Cb 0.45 -0.47 0.05 0.00 -0.72 0.00 0.00 41.12 40.43 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 -2.42 0.05 0.00 5.18 -2.24 -1.26 -4.80 114.28 108.79 2jkz n THR 115 Ca 0.00 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 2jkz n THR 115 Cb 0.00 1.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 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 0.64 0.00 -0.35 -0.78 0.63 -1.26 -1.28 116.66 114.27 2jkz n ARG 116 Ca 0.07 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.93 2jkz n ARG 116 Cb 0.30 -2.45 -0.03 0.00 0.45 0.00 0.00 32.46 30.72 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 0.02 0.01 5.15 2.02 -1.93 0.66 112.91 118.85 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 0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 66.38 2jkz h THR 117 CO 0.00 0.00 -0.35 0.74 0.37 0.00 0.00 175.52 176.28 2jkz h THR 118 N -0.07 0.26 -0.31 3.16 2.02 -1.98 -2.07 112.91 113.92 2jkz h THR 118 Ca 0.23 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.37 2jkz h THR 118 Cb 0.52 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 2jkz h THR 118 CO -0.89 0.00 0.01 -0.07 0.37 0.00 0.00 175.52 174.94 2jkz h LEU 119 N -0.51 0.43 -0.14 2.58 4.07 -1.79 -0.28 115.31 119.68 2jkz h LEU 119 Ca 0.06 -0.07 0.04 0.00 0.08 0.00 0.00 57.88 57.99 2jkz h LEU 119 Cb 0.59 -0.11 -0.07 0.00 1.08 0.00 0.00 40.66 42.15 2jkz h LEU 119 CO -0.28 0.50 -0.42 -0.74 -1.08 0.00 0.00 178.44 176.42 2jkz h HIS 120 N 0.45 -1.21 -0.19 1.13 2.76 -0.18 0.19 115.15 118.11 2jkz h HIS 120 Ca 0.10 0.05 -0.19 0.00 -2.20 0.00 0.00 60.37 58.13 2jkz h HIS 120 Cb 0.29 0.55 0.00 0.00 1.55 0.00 0.00 27.41 29.80 2jkz h HIS 120 CO 0.01 -0.48 -0.65 1.88 -1.30 0.00 0.00 177.93 177.40 2jkz h TYR 121 N -0.49 0.90 -0.43 5.26 0.05 -1.34 -1.15 116.97 119.77 2jkz h TYR 121 Ca 0.08 -0.35 0.06 0.00 0.05 0.00 0.00 58.73 58.56 2jkz h TYR 121 Cb 0.63 -0.15 -0.05 0.00 1.01 0.00 0.00 36.73 38.16 2jkz h TYR 121 CO -0.49 1.15 0.14 0.00 -1.05 0.00 0.00 178.16 177.91 2jkz h ALA 122 N 0.76 0.50 0.59 3.88 0.00 -0.66 0.21 119.26 124.55 2jkz h ALA 122 Ca -0.01 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2jkz h ALA 122 Cb 1.24 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.08 2jkz h ALA 122 CO 0.13 -0.25 -0.28 1.25 0.00 0.00 0.00 179.25 180.09 2jkz h LEU 123 N 0.30 -0.67 -0.21 0.00 5.85 -0.59 -2.50 115.31 117.48 2jkz h LEU 123 Ca 0.20 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.92 2jkz h LEU 123 Cb 0.20 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2jkz h LEU 123 CO -0.22 -0.39 -0.14 -1.28 -0.34 0.00 0.00 178.44 176.08 2jkz h SER 124 N -0.93 -0.50 -0.87 1.25 0.87 -0.66 0.13 113.55 112.84 2jkz h SER 124 Ca -0.08 0.07 0.15 0.00 -1.23 0.00 0.00 61.79 60.70 2jkz h SER 124 Cb 0.65 0.22 -0.10 0.00 -0.44 0.00 0.00 62.40 62.74 2jkz h SER 124 CO 0.13 -0.06 0.46 -0.33 -0.53 0.00 0.00 176.83 176.50 2jkz h GLU 125 N -0.02 0.62 -0.14 2.24 4.39 -0.66 0.60 114.58 121.62 2jkz h GLU 125 Ca 0.03 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 2jkz h GLU 125 Cb 0.10 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2jkz h GLU 125 CO -0.21 0.41 -0.23 -0.07 -1.16 0.00 0.00 179.01 177.75 2jkz h LEU 126 N 0.64 0.23 -0.59 1.33 3.38 -0.86 -2.51 115.31 116.93 2jkz h LEU 126 Ca 0.47 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 58.26 2jkz h LEU 126 Cb 0.67 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2jkz h LEU 126 CO -0.36 0.48 -0.17 -0.33 0.09 0.00 0.00 178.44 178.14 2jkz h GLU 127 N 0.22 0.94 -0.23 1.13 5.08 0.15 -2.21 114.58 119.65 2jkz h GLU 127 Ca 0.04 -0.37 0.03 0.00 -1.00 0.00 0.00 59.36 58.06 2jkz h GLU 127 Cb 0.54 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 2jkz h GLU 127 CO 0.04 1.03 0.05 0.87 -1.00 0.00 0.00 179.01 180.00 2jkz h LYS 128 N 0.82 0.15 -0.93 2.33 1.57 -0.92 -0.62 116.57 118.97 2jkz h LYS 128 Ca 0.12 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.00 2jkz h LYS 128 Cb 0.73 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.93 2jkz h LYS 128 CO 0.06 0.10 0.60 -0.44 -0.57 0.00 0.00 179.45 179.19 2jkz h ASP 129 N 0.15 0.82 0.35 0.86 3.32 -1.18 -0.07 116.42 120.66 2jkz h ASP 129 Ca 0.11 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 2jkz h ASP 129 Cb 0.10 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2jkz h ASP 129 CO -0.13 0.45 -0.17 0.00 -1.72 0.00 0.00 179.24 177.67 2jkz h ALA 130 N 1.56 -0.47 0.00 3.45 0.00 -0.73 -1.86 119.26 121.21 2jkz h ALA 130 Ca 0.45 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.19 2jkz h ALA 130 Cb 0.49 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2jkz h ALA 130 CO -0.21 -0.59 -0.31 0.00 0.00 0.00 0.00 179.25 178.14 2jkz h ALA 131 N -0.33 -0.76 -0.29 0.00 0.00 -0.54 0.29 119.26 117.62 2jkz h ALA 131 Ca -0.05 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.90 2jkz h ALA 131 Cb 0.52 0.77 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2jkz h ALA 131 CO 0.08 -0.86 0.25 1.49 0.00 0.00 0.00 179.25 180.21 2jkz h GLU 132 N -0.39 0.00 0.00 0.00 4.22 -1.13 0.42 114.58 117.70 2jkz h GLU 132 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.45 2jkz h GLU 132 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2jkz h GLU 132 CO -0.21 0.00 -0.32 0.37 -2.18 0.00 0.00 179.01 176.67 2jkz h GLN 133 N 0.00 0.00 0.04 1.92 4.15 -0.43 -2.79 115.11 117.99 2jkz h GLN 133 Ca 0.14 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.39 2jkz h GLN 133 Cb 0.64 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 2jkz h GLN 133 CO -0.00 0.00 -0.87 0.00 -1.93 0.00 0.00 178.83 176.03 2jkz h ALA 134 N 2.31 0.14 0.62 3.38 0.00 0.34 -3.30 119.26 122.74 2jkz h ALA 134 Ca 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 54.91 53.96 2jkz h ALA 134 Cb 0.84 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2jkz h ALA 134 CO 0.00 0.49 -0.35 -0.22 0.00 0.00 0.00 179.25 179.17 2jkz h LYS 135 N -0.79 -0.86 0.00 0.00 3.64 -0.86 -2.04 116.57 115.66 2jkz h LYS 135 Ca -0.21 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2jkz h LYS 135 Cb 1.34 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.36 2jkz h LYS 135 CO -0.06 -0.58 0.00 0.00 -2.27 0.00 0.00 179.45 176.55 2jkz n ALA 136 N -2.53 1.34 0.94 5.00 0.00 -1.05 0.63 120.51 124.83 2jkz n ALA 136 Ca -0.11 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.43 2jkz n ALA 136 Cb 0.37 -0.89 -0.08 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.95 0.70 -2.18 0.00 4.81 -0.78 -4.99 118.16 114.77 2jkz n LYS 137 Ca 0.00 -0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.17 2jkz n LYS 137 Cb 0.00 -1.44 0.00 0.00 0.02 0.00 0.00 35.03 33.61 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 1.44 0.88 3.17 3.14 0.00 0.21 -5.08 105.19 108.94 2jkz n GLY 138 Ca 0.05 -0.58 -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 -2.88 0.33 -0.04 -0.61 1.01 -1.15 -5.07 121.20 112.79 2jkz s ILE 139 Ca 0.00 -1.91 -0.02 0.00 0.00 0.00 0.00 60.65 58.72 2jkz s ILE 139 Cb 0.00 -1.94 0.03 0.00 0.01 0.00 0.00 42.46 40.57 2jkz s ILE 139 CO 0.00 -0.60 0.06 -0.62 0.00 0.00 0.00 174.94 173.78 2jkz s ASP 140 N -3.06 1.12 0.01 3.58 -1.08 -1.26 -4.31 116.67 111.67 2jkz s ASP 140 Ca 0.20 0.08 0.03 0.00 -0.52 0.00 0.00 52.55 52.34 2jkz s ASP 140 Cb 0.07 -0.13 0.12 0.00 -1.46 0.00 0.00 42.92 41.51 2jkz s ASP 140 CO -0.00 -0.25 1.08 0.35 0.52 0.00 0.00 175.17 176.87 2jkz n THR 141 N 5.29 1.84 0.01 1.71 -2.24 -1.26 -2.06 114.28 117.57 2jkz n THR 141 Ca -0.03 0.47 -0.01 0.00 -2.27 0.00 0.00 64.05 62.21 2jkz n THR 141 Cb 0.50 -1.44 -0.00 0.00 -2.10 0.00 0.00 70.33 67.29 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 -0.05 -0.31 -0.78 4.39 -1.97 -3.11 114.58 112.75 2jkz h GLU 142 Ca 0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 2jkz h GLU 142 Cb 0.03 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 2jkz h GLU 142 CO 0.00 -0.03 -0.20 -0.22 -1.16 0.00 0.00 179.01 177.40 2jkz h LYS 143 N -0.30 0.58 -3.16 2.33 3.64 -2.01 -3.34 116.57 114.30 2jkz h LYS 143 Ca -0.01 -0.21 -0.63 0.00 -1.27 0.00 0.00 60.65 58.54 2jkz h LYS 143 Cb 0.04 -0.04 -0.41 0.00 -0.41 0.00 0.00 32.23 31.40 2jkz h LYS 143 CO 0.01 0.75 -0.55 -1.54 -2.27 0.00 0.00 179.45 175.84 2jkz s SER 144 N -6.77 4.81 0.00 4.20 1.04 -0.88 -4.93 113.70 111.17 2jkz s SER 144 Ca -0.08 -3.68 0.23 0.00 0.48 0.00 0.00 55.95 52.91 2jkz s SER 144 Cb 0.14 -1.66 1.17 0.00 0.10 0.00 0.00 66.02 65.77 2jkz s SER 144 CO 0.80 -0.12 1.76 -2.65 0.98 0.00 0.00 173.24 174.01 2jkz n PRO 145 N 2.23 0.31 -0.07 4.02 -0.02 -1.18 -3.25 135.00 137.05 2jkz n PRO 145 Ca 0.17 0.07 0.01 0.00 -2.02 0.00 0.00 63.50 61.73 2jkz n PRO 145 Cb 0.35 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.37 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 -1.30 1.29 0.00 -0.52 0.00 -1.26 -3.33 120.64 115.52 2jkz n GLU 146 Ca 0.11 -0.34 0.00 0.00 0.00 0.00 0.00 57.16 56.92 2jkz n GLU 146 Cb 0.19 -1.24 0.00 0.00 0.00 0.00 0.00 31.44 30.39 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 -0.14 0.51 -0.86 3.44 2.81 -1.20 -4.78 117.12 116.89 2jkz n MET 147 Ca 0.03 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.59 2jkz n MET 147 Cb 0.17 -0.99 0.12 0.00 -0.71 0.00 0.00 33.22 31.81 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 -1.53 -0.20 -3.66 0.03 2.85 -1.21 0.64 118.16 115.08 2jkz n LYS 148 Ca 0.00 -0.01 -0.36 0.00 -1.05 0.00 0.00 58.31 56.89 2jkz n LYS 148 Cb 0.05 -1.96 -0.07 0.00 -0.65 0.00 0.00 35.03 32.40 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 -2.34 5.36 -0.35 0.58 2.01 -1.26 -3.72 115.64 115.91 2jkz s THR 149 Ca 0.60 0.37 -0.14 0.00 0.31 0.00 0.00 61.69 62.84 2jkz s THR 149 Cb -0.24 -3.54 -0.01 0.00 0.01 0.00 0.00 72.50 68.73 2jkz s THR 149 CO 0.64 0.45 0.28 0.20 -0.69 0.00 0.00 174.62 175.50 2jkz s ASN 150 N 0.13 6.09 -0.03 3.53 0.01 -0.98 -5.00 114.94 118.70 2jkz s ASN 150 Ca 0.13 -0.45 -0.13 0.00 -0.71 0.00 0.00 52.86 51.70 2jkz s ASN 150 Cb -0.12 -2.16 -0.05 0.00 0.41 0.00 0.00 41.25 39.33 2jkz s ASN 150 CO 0.02 -0.29 0.34 -0.36 -1.51 0.00 0.00 177.10 175.30 2jkz s PHE 151 N 1.79 3.69 0.13 2.20 0.40 -1.26 -1.17 117.98 123.76 2jkz s PHE 151 Ca 0.07 0.87 0.07 0.00 -0.60 0.00 0.00 56.93 57.34 2jkz s PHE 151 Cb -0.17 -2.20 -0.04 0.00 0.51 0.00 0.00 43.02 41.12 2jkz s PHE 151 CO 0.11 0.67 -0.16 0.20 0.70 0.00 0.00 175.22 176.73 2jkz s GLY 152 N -1.09 1.17 0.02 4.36 0.00 0.31 -4.94 107.32 107.15 2jkz s GLY 152 Ca 0.22 -1.33 0.07 0.00 0.00 0.00 0.00 44.72 43.68 2jkz s GLY 152 CO 0.11 -1.38 -0.20 -0.42 0.00 0.00 0.00 173.10 171.21 2jkz s ILE 153 N -1.98 1.60 -0.05 0.90 1.01 -0.40 0.16 121.20 122.43 2jkz s ILE 153 Ca 0.10 -1.05 -0.02 0.00 0.00 0.00 0.00 60.65 59.68 2jkz s ILE 153 Cb -0.06 -1.37 0.04 0.00 0.01 0.00 0.00 42.46 41.08 2jkz s ILE 153 CO 0.04 0.29 0.09 0.12 0.00 0.00 0.00 174.94 175.48 2jkz s PHE 154 N -0.67 -0.04 0.01 3.97 5.36 0.57 -0.16 117.98 127.02 2jkz s PHE 154 Ca 0.07 0.34 0.02 0.00 -0.96 0.00 0.00 56.93 56.40 2jkz s PHE 154 Cb -0.08 -0.31 -0.01 0.00 -0.34 0.00 0.00 43.02 42.28 2jkz s PHE 154 CO 0.01 -0.18 -0.06 0.14 -1.46 0.00 0.00 175.22 173.66 2jkz s VAL 155 N 1.77 0.49 0.05 3.12 -7.23 -0.35 -2.22 120.40 116.03 2jkz s VAL 155 Ca -0.01 -0.52 -0.23 0.00 -1.81 0.00 0.00 61.98 59.41 2jkz s VAL 155 Cb -0.12 -0.46 -0.16 0.00 0.56 0.00 0.00 36.38 36.20 2jkz s VAL 155 CO -0.04 -0.04 1.55 -0.07 -0.31 0.00 0.00 175.10 176.19 2jkz h LEU 156 N 5.51 0.06 -8.61 1.32 3.38 -0.85 -1.21 115.31 114.91 2jkz h LEU 156 Ca -0.31 -0.21 -0.63 0.00 0.09 0.00 0.00 57.88 56.82 2jkz h LEU 156 Cb 1.19 -0.02 -0.26 0.00 0.09 0.00 0.00 40.66 41.66 2jkz h LEU 156 CO 0.47 0.25 -0.86 -1.00 0.09 0.00 0.00 178.44 177.40 2jkz s HIS 157 N -5.35 2.01 -0.31 1.13 3.76 -0.61 -1.88 115.29 114.05 2jkz s HIS 157 Ca -0.14 -0.39 -0.01 0.00 -0.15 0.00 0.00 55.06 54.37 2jkz s HIS 157 Cb 0.05 -1.21 0.10 0.00 1.11 0.00 0.00 32.58 32.62 2jkz s HIS 157 CO 0.68 0.09 0.09 0.34 -0.85 0.00 0.00 174.74 175.09 2jkz s ASP 158 N -1.13 4.03 0.18 1.40 2.15 -1.20 -0.44 116.67 121.66 2jkz s ASP 158 Ca 0.09 -1.63 -0.31 0.00 0.43 0.00 0.00 52.55 51.13 2jkz s ASP 158 Cb -0.09 -0.88 -0.10 0.00 -0.30 0.00 0.00 42.92 41.55 2jkz s ASP 158 CO 0.02 -0.41 1.48 -0.54 -0.17 0.00 0.00 175.17 175.55 2jkz s LYS 159 N 1.60 4.26 -0.50 4.34 1.02 -0.47 -2.57 119.74 127.42 2jkz s LYS 159 Ca 0.09 2.27 -0.18 0.00 0.02 0.00 0.00 55.97 58.17 2jkz s LYS 159 Cb -0.17 -3.16 0.06 0.00 -0.52 0.00 0.00 37.83 34.04 2jkz s LYS 159 CO -0.24 -0.50 0.58 1.14 -0.92 0.00 0.00 175.35 175.41 2jkz s GLN 160 N 0.61 3.10 0.25 1.68 -2.07 -0.38 -4.86 119.66 117.99 2jkz s GLN 160 Ca 0.65 -0.97 -0.19 0.00 -1.82 0.00 0.00 55.36 53.03 2jkz s GLN 160 Cb -0.42 -4.10 0.02 0.00 -1.09 0.00 0.00 33.01 27.42 2jkz s GLN 160 CO 0.35 -1.18 0.62 -1.59 -1.32 0.00 0.00 175.29 172.17 2jkz s LYS 161 N 2.44 1.62 -0.10 9.60 -2.85 -1.26 -4.16 119.74 125.04 2jkz s LYS 161 Ca 0.13 -0.99 -0.30 0.00 -1.00 0.00 0.00 55.97 53.81 2jkz s LYS 161 Cb -0.20 0.56 -0.04 0.00 -2.06 0.00 0.00 37.83 36.09 2jkz s LYS 161 CO 0.11 -0.72 1.44 -1.25 0.10 0.00 0.00 175.35 175.03 2jkz s PRO 162 N -3.92 4.22 0.95 1.78 0.04 -1.26 -4.99 135.00 131.82 2jkz s PRO 162 Ca 0.13 1.92 -0.12 0.00 0.04 0.00 0.00 61.00 62.97 2jkz s PRO 162 Cb -0.04 -3.83 0.16 0.00 0.04 0.00 0.00 34.50 30.84 2jkz s PRO 162 CO 0.04 -0.74 1.09 0.15 0.04 0.00 0.00 177.00 177.58 2jkz s LYS 163 N 3.56 0.82 -0.03 4.56 -0.14 -1.26 -4.96 119.74 122.28 2jkz s LYS 163 Ca 0.64 0.75 0.10 0.00 -1.36 0.00 0.00 55.97 56.10 2jkz s LYS 163 Cb -0.28 -1.76 -0.15 0.00 -1.68 0.00 0.00 37.83 33.95 2jkz s LYS 163 CO 0.22 -2.52 0.18 1.63 -0.76 0.00 0.00 175.35 174.11 2jkz n LYS 164 N -4.07 0.83 -0.82 1.68 5.02 -0.40 -5.03 118.16 115.37 2jkz n LYS 164 Ca 0.06 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2jkz n LYS 164 Cb 0.56 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 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 -1.99 0.00 -3.61 7.82 0.00 -1.15 -4.96 120.51 116.63 2jkz n ALA 165 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.28 2jkz n ALA 165 Cb 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.80 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 0.18 -0.46 0.24 0.00 1.47 -1.26 -4.91 116.67 111.94 2jkz s ASP 166 Ca 0.00 0.73 0.06 0.00 1.18 0.00 0.00 52.55 54.52 2jkz s ASP 166 Cb 0.00 0.68 -0.03 0.00 -0.34 0.00 0.00 42.92 43.23 2jkz s ASP 166 CO 0.00 -0.26 0.22 -0.76 0.68 0.00 0.00 175.17 175.05 2jkz s LEU 167 N -0.35 3.92 0.17 2.11 1.43 -1.26 -4.87 118.68 119.84 2jkz s LEU 167 Ca 0.00 -0.16 -0.32 0.00 -1.03 0.00 0.00 54.13 52.61 2jkz s LEU 167 Cb -0.03 -2.47 -0.16 0.00 0.03 0.00 0.00 46.19 43.56 2jkz s LEU 167 CO -0.02 -0.03 1.07 -0.81 0.23 0.00 0.00 176.35 176.79 2jkz n PRO 168 N -1.10 0.95 -0.25 1.29 -0.04 -1.26 -4.75 135.00 129.84 2jkz n PRO 168 Ca -0.08 0.34 -0.01 0.00 -0.04 0.00 0.00 63.50 63.71 2jkz n PRO 168 Cb 0.57 -1.77 0.19 0.00 -0.04 0.00 0.00 33.50 32.46 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 2.94 1.37 0.00 0.55 0.00 -1.96 -1.69 119.26 120.46 2jkz h ALA 169 Ca -0.42 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2jkz h ALA 169 Cb 1.36 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2jkz h ALA 169 CO 0.67 0.56 -0.05 1.05 0.00 0.00 0.00 179.25 181.48 2jkz h GLU 170 N 1.09 0.00 0.06 0.00 9.09 -1.99 -1.92 114.58 120.91 2jkz h GLU 170 Ca 0.29 0.00 -0.37 0.00 0.05 0.00 0.00 59.36 59.33 2jkz h GLU 170 Cb -0.06 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 26.99 2jkz h GLU 170 CO -0.06 0.05 -2.16 -0.12 0.05 0.00 0.00 179.01 176.77 2jkz n MET 171 N -3.40 0.71 0.00 1.06 0.00 -0.94 -2.99 117.12 111.56 2jkz n MET 171 Ca -0.02 0.21 0.05 0.00 0.00 0.00 0.00 57.70 57.94 2jkz n MET 171 Cb 0.18 -1.64 0.30 0.00 0.00 0.00 0.00 33.22 32.06 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 -3.33 0.00 -0.04 -0.89 7.94 -0.68 -3.53 117.00 116.47 2jkz n LEU 172 Ca -0.36 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.47 2jkz n LEU 172 Cb 1.04 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.96 2jkz n LEU 172 CO 0.37 0.00 -0.76 -3.20 -1.11 0.00 0.00 177.39 172.69 2jkz n ASN 173 N -0.67 1.47 -4.60 1.96 5.15 -0.74 -4.95 115.26 112.89 2jkz n ASN 173 Ca 0.08 0.05 -0.43 0.00 -0.60 0.00 0.00 54.58 53.68 2jkz n ASN 173 Cb 0.04 -0.20 -0.03 0.00 -0.53 0.00 0.00 39.78 39.06 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 -5.39 5.95 0.00 1.20 2.15 -1.16 -4.83 116.67 114.59 2jkz s ASP 174 Ca -0.11 1.16 0.00 0.00 0.43 0.00 0.00 52.55 54.03 2jkz s ASP 174 Cb 0.04 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 2jkz s ASP 174 CO 0.15 -1.68 0.15 0.29 -0.17 0.00 0.00 175.17 173.91 2jkz n LYS 175 N 8.39 0.27 -1.44 4.34 4.76 -1.26 -1.10 118.16 132.13 2jkz n LYS 175 Ca 0.21 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.68 2jkz n LYS 175 Cb 0.47 -1.17 0.08 0.00 -1.84 0.00 0.00 35.03 32.57 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 0.43 1.53 0.00 4.39 3.02 -1.26 -4.73 115.26 118.64 2jkz n ASN 176 Ca 0.00 -2.67 0.00 0.00 -0.03 0.00 0.00 54.58 51.88 2jkz n ASN 176 Cb 0.08 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 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 -0.18 0.75 -3.91 3.52 1.74 -0.26 -4.47 116.66 113.85 2jkz n ARG 177 Ca 0.12 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.90 2jkz n ARG 177 Cb 0.96 -0.31 -0.15 0.00 -1.02 0.00 0.00 32.46 31.94 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 -0.80 2.82 -0.23 -1.55 5.04 -1.20 -1.28 117.35 120.15 2jkz s TYR 178 Ca 0.00 -2.34 -0.07 0.00 -2.44 0.00 0.00 57.07 52.22 2jkz s TYR 178 Cb 0.00 -2.25 -0.03 0.00 0.35 0.00 0.00 41.96 40.03 2jkz s TYR 178 CO 0.00 -0.89 0.07 -0.06 -1.34 0.00 0.00 175.55 173.33 2jkz s PHE 179 N 1.23 3.12 -0.28 4.97 0.40 0.78 -4.85 117.98 123.35 2jkz s PHE 179 Ca 0.07 -0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.13 2jkz s PHE 179 Cb -0.18 -2.19 0.08 0.00 0.51 0.00 0.00 43.02 41.24 2jkz s PHE 179 CO -0.13 -0.21 0.04 0.00 0.70 0.00 0.00 175.22 175.62 2jkz s ALA 180 N 1.25 1.81 0.00 5.36 0.00 -1.26 -1.21 121.76 127.72 2jkz s ALA 180 Ca 0.05 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.42 2jkz s ALA 180 Cb -0.15 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.41 2jkz s ALA 180 CO 0.03 -1.47 0.20 0.00 0.00 0.00 0.00 175.76 174.53 2jkz n ALA 181 N 4.72 0.00 -2.65 0.00 0.00 -0.46 -4.29 120.51 117.83 2jkz n ALA 181 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.06 2jkz n ALA 181 Cb 0.43 0.10 -0.12 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.81 2.86 -0.53 0.00 2.20 -0.79 -4.99 119.74 117.69 2jkz s LYS 182 Ca 0.00 -0.59 -0.16 0.00 -0.36 0.00 0.00 55.97 54.86 2jkz s LYS 182 Cb 0.00 -2.58 0.11 0.00 -1.51 0.00 0.00 37.83 33.85 2jkz s LYS 182 CO 0.00 0.56 0.49 0.99 -0.36 0.00 0.00 175.35 177.04 2jkz s THR 183 N -0.54 5.18 0.53 3.43 2.01 -1.26 -3.24 115.64 121.74 2jkz s THR 183 Ca 0.08 -1.36 0.04 0.00 0.31 0.00 0.00 61.69 60.77 2jkz s THR 183 Cb -0.12 -4.31 0.04 0.00 0.01 0.00 0.00 72.50 68.13 2jkz s THR 183 CO 0.02 -0.83 0.73 0.68 -0.69 0.00 0.00 174.62 174.54 2jkz s VAL 184 N 1.70 2.65 0.66 3.82 -7.23 -1.06 -4.94 120.40 116.00 2jkz s VAL 184 Ca 0.04 -0.81 -0.09 0.00 -1.81 0.00 0.00 61.98 59.31 2jkz s VAL 184 Cb -0.28 -2.84 0.02 0.00 0.56 0.00 0.00 36.38 33.83 2jkz s VAL 184 CO 0.04 0.00 1.01 -2.16 -0.31 0.00 0.00 175.10 173.68 2jkz s PRO 185 N -4.66 2.81 -0.72 4.82 0.04 -1.26 -1.25 135.00 134.78 2jkz s PRO 185 Ca 0.58 0.20 -0.26 0.00 0.04 0.00 0.00 61.00 61.56 2jkz s PRO 185 Cb -0.09 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 2jkz s PRO 185 CO 0.37 -0.92 1.78 0.34 0.04 0.00 0.00 177.00 178.61 2jkz s ASP 186 N -4.35 5.42 0.26 6.66 -1.08 -1.26 -4.64 116.67 117.68 2jkz s ASP 186 Ca 0.57 -0.11 -0.03 0.00 -0.52 0.00 0.00 52.55 52.46 2jkz s ASP 186 Cb -0.11 -2.54 0.01 0.00 -1.46 0.00 0.00 42.92 38.82 2jkz s ASP 186 CO 0.48 -2.35 0.39 0.29 0.52 0.00 0.00 175.17 174.51 2jkz n LYS 187 N 9.12 0.56 -3.88 4.34 5.02 -1.26 -5.10 118.16 126.95 2jkz n LYS 187 Ca 0.23 -2.00 -0.36 0.00 -2.02 0.00 0.00 58.31 54.17 2jkz n LYS 187 Cb 0.50 1.99 -0.12 0.00 -0.02 0.00 0.00 35.03 37.38 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 -3.56 3.09 -0.21 2.13 -0.11 -1.26 -5.04 118.94 113.99 2jkz s TRP 188 Ca 0.20 -0.38 -0.09 0.00 1.22 0.00 0.00 56.10 57.04 2jkz s TRP 188 Cb -0.01 -2.17 -0.05 0.00 -1.50 0.00 0.00 33.47 29.74 2jkz s TRP 188 CO 0.14 -0.27 0.12 0.71 -4.62 0.00 0.00 176.95 173.03 2jkz s TYR 189 N 1.28 3.33 -0.33 5.86 1.51 -1.26 -1.32 117.35 126.42 2jkz s TYR 189 Ca 0.04 0.21 -0.12 0.00 -1.01 0.00 0.00 57.07 56.19 2jkz s TYR 189 Cb -0.15 -2.17 -0.02 0.00 -0.11 0.00 0.00 41.96 39.52 2jkz s TYR 189 CO 0.03 0.18 0.22 0.00 -1.11 0.00 0.00 175.55 174.86 2jkz s ALA 190 N 0.57 3.46 0.04 3.71 0.00 -0.31 -4.94 121.76 124.28 2jkz s ALA 190 Ca 0.06 -1.35 -0.21 0.00 0.00 0.00 0.00 51.96 50.46 2jkz s ALA 190 Cb -0.12 -2.59 -0.06 0.00 0.00 0.00 0.00 23.12 20.35 2jkz s ALA 190 CO 0.00 -0.92 0.62 0.71 0.00 0.00 0.00 175.76 176.17 2jkz s TYR 191 N 1.70 3.75 0.19 0.00 2.02 -1.26 -1.72 117.35 122.02 2jkz s TYR 191 Ca 0.06 1.28 -0.05 0.00 -0.37 0.00 0.00 57.07 58.00 2jkz s TYR 191 Cb -0.17 -2.61 0.32 0.00 -0.40 0.00 0.00 41.96 39.11 2jkz s TYR 191 CO 0.10 0.43 1.02 -0.35 -1.57 0.00 0.00 175.55 175.18 2jkz n PRO 192 N 2.33 -0.06 0.00 -1.71 -0.04 -1.11 0.75 135.00 135.16 2jkz n PRO 192 Ca -0.07 1.02 0.02 0.00 -0.04 0.00 0.00 63.50 64.42 2jkz n PRO 192 Cb 0.51 -1.53 0.09 0.00 -0.04 0.00 0.00 33.50 32.53 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 -5.05 0.00 -0.07 0.54 2.14 -1.26 -2.51 117.44 111.24 2jkz n TRP 193 Ca 0.11 0.00 -0.06 0.00 2.07 0.00 0.00 57.50 59.62 2jkz n TRP 193 Cb 0.35 0.00 -0.11 0.00 -0.81 0.00 0.00 31.31 30.74 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 -0.58 1.76 -2.03 -2.67 1.02 0.23 -5.03 120.64 113.34 2jkz n GLU 194 Ca 0.02 -0.01 -0.38 0.00 -0.02 0.00 0.00 57.16 56.78 2jkz n GLU 194 Cb 0.01 -1.35 0.01 0.00 -0.02 0.00 0.00 31.44 30.10 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 -4.63 5.77 -0.02 1.62 0.15 -1.05 -4.95 113.70 110.58 2jkz s SER 195 Ca -0.07 2.53 0.17 0.00 0.70 0.00 0.00 55.95 59.28 2jkz s SER 195 Cb 0.04 -2.62 0.51 0.00 -1.71 0.00 0.00 66.02 62.24 2jkz s SER 195 CO 0.55 -1.21 1.42 0.35 1.20 0.00 0.00 173.24 175.56 2jkz n THR 196 N -0.70 1.18 -2.85 6.45 -2.24 -1.26 -4.57 114.28 110.28 2jkz n THR 196 Ca 0.08 -1.07 -0.08 0.00 -2.27 0.00 0.00 64.05 60.71 2jkz n THR 196 Cb 0.46 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 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 0.99 -2.91 -0.28 3.42 -0.08 -1.26 -5.02 116.55 111.40 2jkz n ASP 197 Ca 0.19 -2.91 0.14 0.00 -1.51 0.00 0.00 54.79 50.70 2jkz n ASP 197 Cb 0.59 1.42 0.40 0.00 2.34 0.00 0.00 41.12 45.88 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 4.53 0.75 -0.14 5.18 6.09 -1.92 -1.72 117.51 130.28 2jkz h ILE 198 Ca 0.05 -0.21 0.03 0.00 -1.37 0.00 0.00 64.86 63.35 2jkz h ILE 198 Cb 1.07 0.07 -0.03 0.00 0.47 0.00 0.00 36.82 38.40 2jkz h ILE 198 CO 0.12 0.11 -0.03 0.58 -3.07 0.00 0.00 178.15 175.86 2jkz h VAL 199 N 0.62 0.86 0.67 2.19 2.07 -1.98 0.69 116.25 121.38 2jkz h VAL 199 Ca 0.49 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.98 2jkz h VAL 199 Cb 0.91 0.86 0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2jkz h VAL 199 CO -0.24 0.00 -0.32 0.15 0.02 0.00 0.00 177.57 177.18 2jkz h PHE 200 N 0.00 -0.84 -0.82 1.57 3.57 -1.88 -1.28 116.94 117.26 2jkz h PHE 200 Ca 0.07 -0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.72 2jkz h PHE 200 Cb 0.10 0.28 -0.15 0.00 2.79 0.00 0.00 35.95 38.97 2jkz h PHE 200 CO -0.18 -0.49 -0.16 1.25 -2.23 0.00 0.00 178.31 176.51 2jkz h HIS 201 N -1.08 -0.35 0.38 0.41 2.76 -1.10 0.16 115.15 116.33 2jkz h HIS 201 Ca -0.09 0.07 -0.02 0.00 -2.20 0.00 0.00 60.37 58.13 2jkz h HIS 201 Cb 0.73 0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.98 2jkz h HIS 201 CO -0.00 -0.34 -0.18 1.15 -1.30 0.00 0.00 177.93 177.25 2jkz h THR 202 N 0.01 0.63 -0.62 6.26 2.02 0.47 -0.80 112.91 120.89 2jkz h THR 202 Ca 0.41 -0.24 0.13 0.00 0.77 0.00 0.00 66.41 67.48 2jkz h THR 202 Cb 0.66 0.76 -0.11 0.00 -1.74 0.00 0.00 68.15 67.72 2jkz h THR 202 CO -0.82 0.05 -0.05 -0.09 0.37 0.00 0.00 175.52 174.98 2jkz h ARG 203 N -0.64 0.07 0.47 6.66 2.43 0.11 0.05 114.38 123.54 2jkz h ARG 203 Ca -0.05 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2jkz h ARG 203 Cb 0.47 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 2jkz h ARG 203 CO 0.09 0.05 -0.47 0.52 -1.51 0.00 0.00 179.97 178.64 2jkz h MET 204 N 0.07 -0.92 -0.65 0.20 2.86 -0.60 -1.62 114.93 114.27 2jkz h MET 204 Ca 0.32 0.06 0.13 0.00 -2.06 0.00 0.00 59.70 58.15 2jkz h MET 204 Cb 0.51 0.21 -0.12 0.00 0.06 0.00 0.00 31.60 32.25 2jkz h MET 204 CO -0.57 -0.61 -0.16 0.00 1.06 0.00 0.00 176.91 176.63 2jkz h ALA 205 N -0.73 0.44 -0.69 6.32 0.00 -0.10 0.21 119.26 124.70 2jkz h ALA 205 Ca -0.05 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2jkz h ALA 205 Cb 0.83 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 2jkz h ALA 205 CO -0.06 -0.42 0.46 0.82 0.00 0.00 0.00 179.25 180.04 2jkz h ILE 206 N 0.00 1.18 0.00 0.00 2.04 -0.82 -1.01 117.51 118.90 2jkz h ILE 206 Ca 0.31 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2jkz h ILE 206 Cb 0.48 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 2jkz h ILE 206 CO -0.67 0.17 0.00 -0.33 0.00 0.00 0.00 178.15 177.32 2jkz h GLU 207 N 0.93 0.00 -0.25 2.37 5.08 0.37 -2.73 114.58 120.36 2jkz h GLU 207 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2jkz h GLU 207 Cb -0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2jkz h GLU 207 CO -0.06 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 178.99 2jkz n GLN 208 N -2.82 2.17 -2.74 2.33 6.02 -0.50 -4.97 117.38 116.86 2jkz n GLN 208 Ca 0.01 -2.00 -0.10 0.00 -0.01 0.00 0.00 57.00 54.90 2jkz n GLN 208 Cb 0.29 -1.43 0.05 0.00 1.02 0.00 0.00 30.24 30.18 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 1.22 -0.17 1.00 1.08 0.00 -0.88 -4.95 105.19 102.49 2jkz n GLY 209 Ca 0.15 0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.40 1.35 -0.13 1.61 3.02 -0.52 -5.03 115.26 113.17 2jkz n ASN 210 Ca -0.12 -2.95 0.00 0.00 -0.03 0.00 0.00 54.58 51.48 2jkz n ASN 210 Cb 0.59 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 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 -0.35 1.33 -4.52 6.41 2.03 -1.26 -3.29 116.55 116.91 2jkz n ASP 211 Ca 0.12 -0.06 -0.36 0.00 0.52 0.00 0.00 54.79 55.01 2jkz n ASP 211 Cb 0.90 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 41.38 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 -0.02 2.12 -1.56 5.18 -5.35 -1.26 -4.72 119.36 113.75 2jkz n ILE 212 Ca 0.00 -0.39 0.01 0.00 -0.27 0.00 0.00 62.75 62.10 2jkz n ILE 212 Cb 0.00 -0.86 0.01 0.00 -1.74 0.00 0.00 39.64 37.05 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 -2.41 0.00 -3.75 4.28 1.16 -1.26 -5.03 117.46 110.45 2jkz n PHE 213 Ca 0.11 -0.08 -0.13 0.00 -1.87 0.00 0.00 57.45 55.48 2jkz n PHE 213 Cb 0.50 -0.04 -0.13 0.00 -1.61 0.00 0.00 39.48 38.20 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 -0.22 -0.03 0.81 1.97 1.01 -1.26 -5.18 121.20 118.29 2jkz s ILE 214 Ca 0.02 0.11 -0.09 0.00 0.00 0.00 0.00 60.65 60.69 2jkz s ILE 214 Cb 0.02 -0.36 0.18 0.00 0.01 0.00 0.00 42.46 42.31 2jkz s ILE 214 CO 0.00 0.04 1.10 -0.81 0.00 0.00 0.00 174.94 175.28 2jkz n PRO 215 N 3.86 -0.70 0.00 2.79 -0.04 -1.26 -5.12 135.00 134.53 2jkz n PRO 215 Ca -0.22 -2.20 0.00 0.00 -0.04 0.00 0.00 63.50 61.04 2jkz n PRO 215 Cb 0.54 -0.98 0.00 0.00 -0.04 0.00 0.00 33.50 33.02 2jkz n PRO 215 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jkz n GLU 216 N -3.22 1.05 0.00 0.54 1.02 -1.26 -5.26 120.64 113.51 2jkz n GLU 216 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 2jkz n GLU 216 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 2jkz n GLU 216 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35