#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ktj h ILE 19 N 0.00 0.63 0.00 5.18 6.09 -2.06 -2.86 117.51 124.49 3ktj h ILE 19 Ca 0.00 -1.64 0.00 0.00 -1.37 0.00 0.00 64.86 61.85 3ktj h ILE 19 Cb 0.00 2.12 0.00 0.00 0.47 0.00 0.00 36.82 39.41 3ktj h ILE 19 CO 0.00 0.32 -0.78 1.88 -3.07 0.00 0.00 178.15 176.51 3ktj h TYR 20 N 0.00 0.00 0.00 2.19 0.05 -1.99 -3.19 116.97 114.04 3ktj h TYR 20 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3ktj h TYR 20 Cb 1.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.83 3ktj h TYR 20 CO 0.00 0.00 0.00 0.77 -1.05 0.00 0.00 178.16 177.88 3ktj h SER 21 N 0.00 0.00 0.25 3.88 0.02 -1.92 -0.69 113.55 115.09 3ktj h SER 21 Ca 0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 3ktj h SER 21 Cb 0.88 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.37 3ktj h SER 21 CO 0.00 0.00 -2.00 -1.14 -1.14 0.00 0.00 176.83 172.55 3ktj n ARG 22 N -2.73 0.67 0.18 3.45 3.00 -1.21 -3.45 116.66 116.58 3ktj n ARG 22 Ca 0.01 0.20 0.06 0.00 -0.00 0.00 0.00 57.85 58.13 3ktj n ARG 22 Cb 0.25 -1.69 0.24 0.00 0.00 0.00 0.00 32.46 31.26 3ktj n ARG 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 3ktj h LEU 23 N 0.01 0.00 0.09 6.15 3.38 -1.40 -3.04 115.31 120.50 3ktj h LEU 23 Ca -0.40 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.33 3ktj h LEU 23 Cb 2.06 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.84 3ktj h LEU 23 CO 0.05 0.34 -0.98 0.25 0.09 0.00 0.00 178.44 178.20 3ktj h LEU 24 N 0.00 0.70 -0.84 1.67 5.85 -1.21 0.28 115.31 121.77 3ktj h LEU 24 Ca -0.00 -0.83 0.00 0.00 0.84 0.00 0.00 57.88 57.89 3ktj h LEU 24 Cb 1.06 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.87 3ktj h LEU 24 CO 0.04 1.46 0.42 0.50 -0.34 0.00 0.00 178.44 180.53 3ktj h LYS 25 N 0.04 0.00 0.00 1.25 1.63 -1.56 0.72 116.57 118.66 3ktj h LYS 25 Ca -0.15 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.65 3ktj h LYS 25 Cb 1.69 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.31 3ktj h LYS 25 CO 0.19 0.00 -0.20 -0.25 -3.45 0.00 0.00 179.45 175.74 3ktj n ASP 26 N -2.15 1.66 -2.30 4.20 9.92 -1.16 -5.02 116.55 121.69 3ktj n ASP 26 Ca -0.01 -2.84 -0.09 0.00 -0.53 0.00 0.00 54.79 51.32 3ktj n ASP 26 Cb 0.44 -0.37 0.05 0.00 -0.64 0.00 0.00 41.12 40.59 3ktj n ASP 26 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3ktj n ARG 27 N -0.99 -3.57 -4.08 -1.24 1.74 0.25 -4.93 116.66 103.85 3ktj n ARG 27 Ca 0.12 0.46 -0.25 0.00 -0.77 0.00 0.00 57.85 57.41 3ktj n ARG 27 Cb 0.67 -4.31 -0.17 0.00 -1.02 0.00 0.00 32.46 27.63 3ktj n ARG 27 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3ktj s ILE 28 N -3.19 0.90 -0.09 0.55 1.01 0.98 -1.31 121.20 120.05 3ktj s ILE 28 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.40 3ktj s ILE 28 Cb -0.00 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.53 3ktj s ILE 28 CO 0.39 0.33 -0.08 -0.63 0.00 0.00 0.00 174.94 174.95 3ktj s ILE 29 N 1.40 3.54 -0.48 2.92 1.01 0.19 -3.62 121.20 126.16 3ktj s ILE 29 Ca -0.02 -0.53 -0.07 0.00 0.00 0.00 0.00 60.65 60.04 3ktj s ILE 29 Cb -0.13 -2.46 0.13 0.00 0.01 0.00 0.00 42.46 40.00 3ktj s ILE 29 CO -0.04 0.57 0.34 -0.04 0.00 0.00 0.00 174.94 175.77 3ktj s MET 30 N -0.48 2.41 -0.99 2.79 -1.94 -1.26 -0.76 119.30 119.07 3ktj s MET 30 Ca 0.07 -1.88 -0.15 0.00 -1.71 0.00 0.00 55.69 52.02 3ktj s MET 30 Cb -0.12 -3.84 0.18 0.00 2.01 0.00 0.00 34.83 33.06 3ktj s MET 30 CO 0.02 -1.17 1.09 -1.17 -0.01 0.00 0.00 175.02 173.79 3ktj s LEU 31 N 1.12 5.67 -0.55 -0.03 2.96 -0.38 -4.92 118.68 122.56 3ktj s LEU 31 Ca 0.08 -2.62 0.05 0.00 -0.22 0.00 0.00 54.13 51.43 3ktj s LEU 31 Cb -0.24 -2.33 0.35 0.00 0.50 0.00 0.00 46.19 44.47 3ktj s LEU 31 CO -0.02 -0.77 0.96 0.61 -1.32 0.00 0.00 176.35 175.81 3ktj n GLY 32 N 4.44 5.52 3.79 7.98 0.00 -1.26 -2.06 105.19 123.60 3ktj n GLY 32 Ca 0.24 -2.71 -0.00 0.00 0.00 0.00 0.00 46.02 43.54 3ktj n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ktj s SER 33 N -3.43 -0.05 0.61 1.61 1.04 -1.22 -4.92 113.70 107.35 3ktj s SER 33 Ca 0.48 -0.32 -0.19 0.00 0.48 0.00 0.00 55.95 56.41 3ktj s SER 33 Cb 0.30 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 3ktj s SER 33 CO -0.14 -0.56 1.06 0.00 0.98 0.00 0.00 173.24 174.58 3ktj n ALA 34 N -0.63 0.47 -2.49 5.32 0.00 -1.26 -4.55 120.51 117.36 3ktj n ALA 34 Ca -0.04 0.01 -0.43 0.00 0.00 0.00 0.00 53.44 52.98 3ktj n ALA 34 Cb 0.61 -2.17 -0.09 0.00 0.00 0.00 0.00 19.45 17.80 3ktj n ALA 34 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ktj s ILE 35 N -1.47 5.12 0.43 0.00 1.01 0.37 -4.89 121.20 121.76 3ktj s ILE 35 Ca 0.77 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 61.01 3ktj s ILE 35 Cb -0.41 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.01 3ktj s ILE 35 CO 0.46 -0.41 0.12 1.51 0.00 0.00 0.00 174.94 176.61 3ktj s ASP 36 N 1.82 3.00 0.14 3.58 -4.77 -1.26 -0.36 116.67 118.81 3ktj s ASP 36 Ca 0.10 -1.69 -0.26 0.00 -3.30 0.00 0.00 52.55 47.40 3ktj s ASP 36 Cb -0.18 0.54 -0.02 0.00 -1.09 0.00 0.00 42.92 42.17 3ktj s ASP 36 CO 0.13 -0.94 1.60 0.44 0.70 0.00 0.00 175.17 177.10 3ktj h ASP 37 N 1.71 -1.07 -0.61 2.11 3.45 -1.95 -2.28 116.42 117.78 3ktj h ASP 37 Ca -0.36 0.15 0.12 0.00 0.43 0.00 0.00 57.03 57.37 3ktj h ASP 37 Cb 1.28 0.45 -0.12 0.00 -0.56 0.00 0.00 39.33 40.39 3ktj h ASP 37 CO 0.58 -0.37 -0.25 0.78 -1.57 0.00 0.00 179.24 178.40 3ktj h ASN 38 N -0.41 -0.89 -0.38 6.45 2.35 -1.99 0.67 115.58 121.38 3ktj h ASN 38 Ca 0.09 0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 56.03 3ktj h ASN 38 Cb 0.57 0.49 -0.02 0.00 0.05 0.00 0.00 38.32 39.41 3ktj h ASN 38 CO -0.37 -0.27 0.15 0.58 -1.65 0.00 0.00 177.43 175.87 3ktj h VAL 39 N -0.10 1.19 0.00 2.81 2.07 -1.88 -2.07 116.25 118.28 3ktj h VAL 39 Ca 0.27 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 3ktj h VAL 39 Cb 0.52 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3ktj h VAL 39 CO -0.67 0.22 -0.02 0.00 0.02 0.00 0.00 177.57 177.11 3ktj h ALA 40 N 0.99 1.68 0.00 1.67 0.00 -0.59 -1.17 119.26 121.85 3ktj h ALA 40 Ca 0.13 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 3ktj h ALA 40 Cb 0.19 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3ktj h ALA 40 CO -0.01 0.03 -0.98 -0.91 0.00 0.00 0.00 179.25 177.37 3ktj h ASN 41 N 0.00 0.00 -0.05 0.00 2.35 -0.52 -3.07 115.58 114.29 3ktj h ASN 41 Ca -0.00 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.57 3ktj h ASN 41 Cb 0.05 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.43 3ktj h ASN 41 CO 0.00 0.72 -0.67 -1.28 -1.65 0.00 0.00 177.43 174.55 3ktj h SER 42 N 0.00 0.69 0.43 5.81 0.87 -0.59 -2.45 113.55 118.30 3ktj h SER 42 Ca -0.07 -0.70 -0.08 0.00 -1.23 0.00 0.00 61.79 59.71 3ktj h SER 42 Cb 1.61 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.35 3ktj h SER 42 CO 0.08 1.29 -0.37 0.40 -0.53 0.00 0.00 176.83 177.69 3ktj h ILE 43 N 0.15 1.20 -0.12 2.23 2.04 -1.37 -2.69 117.51 118.95 3ktj h ILE 43 Ca -0.07 -1.31 -0.12 0.00 1.00 0.00 0.00 64.86 64.36 3ktj h ILE 43 Cb 1.34 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 3ktj h ILE 43 CO 0.14 0.37 -0.40 0.58 0.00 0.00 0.00 178.15 178.83 3ktj h VAL 44 N 0.00 1.37 -0.43 1.67 2.07 -1.51 -2.76 116.25 116.67 3ktj h VAL 44 Ca -0.00 -1.72 0.06 0.00 0.82 0.00 0.00 66.70 65.85 3ktj h VAL 44 Cb 0.69 2.14 -0.05 0.00 -1.52 0.00 0.00 31.29 32.55 3ktj h VAL 44 CO 0.05 0.51 0.13 0.28 0.02 0.00 0.00 177.57 178.56 3ktj h SER 45 N 0.07 0.10 -0.16 0.57 0.02 -1.28 -2.67 113.55 110.20 3ktj h SER 45 Ca -0.02 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3ktj h SER 45 Cb 1.03 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 3ktj h SER 45 CO 0.09 0.09 0.06 1.56 -1.14 0.00 0.00 176.83 177.49 3ktj h GLN 46 N 0.28 0.23 -0.34 3.45 4.20 -1.52 -2.41 115.11 119.00 3ktj h GLN 46 Ca 0.20 -0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.94 3ktj h GLN 46 Cb 0.22 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 27.89 3ktj h GLN 46 CO -0.23 0.32 -0.12 -0.07 -0.67 0.00 0.00 178.83 178.06 3ktj h LEU 47 N 0.10 -0.41 -0.77 1.46 3.38 -1.33 -1.51 115.31 116.23 3ktj h LEU 47 Ca 0.05 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.18 3ktj h LEU 47 Cb 0.17 0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 3ktj h LEU 47 CO -0.00 -0.15 0.48 -0.07 0.09 0.00 0.00 178.44 178.79 3ktj h LEU 48 N -0.05 0.78 -0.49 1.67 3.38 -1.42 -1.52 115.31 117.65 3ktj h LEU 48 Ca 0.17 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3ktj h LEU 48 Cb 0.30 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3ktj h LEU 48 CO -0.38 0.52 0.28 0.15 0.09 0.00 0.00 178.44 179.10 3ktj h PHE 49 N 0.92 0.67 -0.08 1.13 3.57 -0.84 -1.55 116.94 120.76 3ktj h PHE 49 Ca 0.32 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.69 3ktj h PHE 49 Cb 0.07 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 3ktj h PHE 49 CO -0.04 0.49 -0.48 -0.07 -2.23 0.00 0.00 178.31 175.98 3ktj h LEU 50 N 0.66 0.20 -1.13 0.59 3.38 -0.96 -0.85 115.31 117.20 3ktj h LEU 50 Ca 0.17 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3ktj h LEU 50 Cb 0.03 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3ktj h LEU 50 CO -0.03 0.66 -0.18 0.00 0.09 0.00 0.00 178.44 178.98 3ktj h ALA 51 N 1.35 1.01 0.01 1.53 0.00 -1.09 -3.12 119.26 118.95 3ktj h ALA 51 Ca 0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ktj h ALA 51 Cb 0.91 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3ktj h ALA 51 CO 0.07 0.23 -0.00 0.00 0.00 0.00 0.00 179.25 179.55 3ktj h ALA 52 N 1.82 -0.01 -0.09 0.00 0.00 -0.36 -2.82 119.26 117.80 3ktj h ALA 52 Ca -0.00 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.52 3ktj h ALA 52 Cb 0.72 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3ktj h ALA 52 CO 0.02 -0.03 0.11 0.93 0.00 0.00 0.00 179.25 180.29 3ktj h GLU 53 N -0.96 0.00 -0.01 0.00 5.08 -1.22 -3.41 114.58 114.06 3ktj h GLU 53 Ca -0.00 0.00 0.29 0.00 -1.00 0.00 0.00 59.36 58.65 3ktj h GLU 53 Cb 0.84 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.85 3ktj h GLU 53 CO 0.00 0.00 0.41 0.34 -1.00 0.00 0.00 179.01 178.76 3ktj s ASP 54 N -5.80 -0.01 0.00 1.42 2.15 -1.18 -5.05 116.67 108.20 3ktj s ASP 54 Ca -0.05 0.01 0.00 0.00 0.43 0.00 0.00 52.55 52.94 3ktj s ASP 54 Cb 0.15 1.01 0.00 0.00 -0.30 0.00 0.00 42.92 43.78 3ktj s ASP 54 CO 0.52 -0.00 0.95 -0.81 -0.17 0.00 0.00 175.17 175.66 3ktj n PRO 55 N 5.17 0.96 -0.05 4.34 -0.04 -1.06 -4.16 135.00 140.15 3ktj n PRO 55 Ca -0.09 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.31 3ktj n PRO 55 Cb 0.55 -1.01 -0.02 0.00 -0.04 0.00 0.00 33.50 32.98 3ktj n PRO 55 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3ktj n GLU 56 N -0.48 0.35 -1.44 0.54 -0.58 -1.26 -3.64 120.64 114.12 3ktj n GLU 56 Ca 0.00 0.14 -0.43 0.00 -0.42 0.00 0.00 57.16 56.45 3ktj n GLU 56 Cb 0.01 -1.09 -0.00 0.00 -0.57 0.00 0.00 31.44 29.78 3ktj n GLU 56 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3ktj n LYS 57 N -3.91 0.51 -1.85 3.49 4.76 -1.26 -4.64 118.16 115.27 3ktj n LYS 57 Ca -0.09 0.18 -0.29 0.00 -2.87 0.00 0.00 58.31 55.24 3ktj n LYS 57 Cb 0.34 -1.41 0.11 0.00 -1.84 0.00 0.00 35.03 32.23 3ktj n LYS 57 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3ktj s GLU 58 N -1.42 1.67 -0.02 1.97 -1.05 -1.26 -4.57 118.70 114.01 3ktj s GLU 58 Ca 0.62 0.07 0.04 0.00 -0.15 0.00 0.00 54.97 55.55 3ktj s GLU 58 Cb -0.67 -1.92 -0.01 0.00 -0.44 0.00 0.00 34.13 31.10 3ktj s GLU 58 CO 0.59 -1.80 -0.13 0.42 0.95 0.00 0.00 175.26 175.29 3ktj s ILE 59 N -3.57 1.08 -0.15 1.83 1.01 -0.55 -4.91 121.20 115.95 3ktj s ILE 59 Ca 0.64 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.70 3ktj s ILE 59 Cb -0.11 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.42 3ktj s ILE 59 CO 0.50 0.31 -0.07 -0.44 0.00 0.00 0.00 174.94 175.24 3ktj s SER 60 N -0.16 4.45 -0.32 3.58 0.01 -0.43 -0.87 113.70 119.96 3ktj s SER 60 Ca 0.02 -0.23 -0.02 0.00 1.31 0.00 0.00 55.95 57.04 3ktj s SER 60 Cb -0.07 -1.71 0.06 0.00 0.21 0.00 0.00 66.02 64.51 3ktj s SER 60 CO 0.00 0.15 0.04 -0.22 0.41 0.00 0.00 173.24 173.62 3ktj s LEU 61 N 0.46 4.21 -0.08 2.44 2.96 0.67 0.55 118.68 129.89 3ktj s LEU 61 Ca -0.06 -1.47 -0.23 0.00 -0.22 0.00 0.00 54.13 52.15 3ktj s LEU 61 Cb -0.15 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 3ktj s LEU 61 CO 0.04 -0.32 0.68 -0.31 -1.32 0.00 0.00 176.35 175.12 3ktj s TYR 62 N 1.21 3.56 -0.08 5.38 2.02 0.06 -2.09 117.35 127.42 3ktj s TYR 62 Ca -0.02 1.21 0.04 0.00 -0.37 0.00 0.00 57.07 57.94 3ktj s TYR 62 Cb -0.20 -2.79 -0.01 0.00 -0.40 0.00 0.00 41.96 38.55 3ktj s TYR 62 CO -0.02 0.08 -0.21 0.42 -1.57 0.00 0.00 175.55 174.25 3ktj s ILE 63 N 0.86 2.42 -0.46 2.71 1.01 0.17 -1.25 121.20 126.66 3ktj s ILE 63 Ca 0.36 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 60.15 3ktj s ILE 63 Cb -0.17 -1.93 0.18 0.00 0.01 0.00 0.00 42.46 40.55 3ktj s ILE 63 CO 0.17 0.56 0.59 0.21 0.00 0.00 0.00 174.94 176.48 3ktj s ASN 64 N -0.10 -0.61 0.03 3.58 2.47 -0.87 0.11 114.94 119.53 3ktj s ASN 64 Ca -0.04 -1.76 -0.09 0.00 0.42 0.00 0.00 52.86 51.39 3ktj s ASN 64 Cb -0.14 1.33 0.00 0.00 -1.45 0.00 0.00 41.25 40.99 3ktj s ASN 64 CO 0.04 -0.12 0.19 -0.55 -3.72 0.00 0.00 177.10 172.94 3ktj s SER 65 N 1.00 0.02 0.28 -4.21 0.15 0.60 -3.39 113.70 108.16 3ktj s SER 65 Ca 0.26 -0.29 0.24 0.00 0.70 0.00 0.00 55.95 56.86 3ktj s SER 65 Cb -0.02 0.27 0.44 0.00 -1.71 0.00 0.00 66.02 65.00 3ktj s SER 65 CO -0.08 -0.50 1.54 1.55 1.20 0.00 0.00 173.24 176.95 3ktj h PRO 66 N 3.69 0.00 0.00 5.44 0.13 -1.81 -0.42 132.00 139.02 3ktj h PRO 66 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3ktj h PRO 66 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3ktj h PRO 66 CO 0.46 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.64 3ktj n GLY 67 N 1.21 0.26 0.00 1.56 0.00 -1.20 -4.44 105.19 102.59 3ktj n GLY 67 Ca 0.04 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.94 3ktj n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ktj n GLY 68 N 0.00 0.08 3.67 -0.02 0.00 -1.26 0.14 105.19 107.80 3ktj n GLY 68 Ca 0.00 -1.19 -0.46 0.00 0.00 0.00 0.00 46.02 44.37 3ktj n GLY 68 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ktj n SER 69 N 0.00 3.17 -0.17 1.61 2.88 0.51 -4.84 113.62 116.78 3ktj n SER 69 Ca 0.00 1.08 -0.09 0.00 -1.33 0.00 0.00 58.87 58.53 3ktj n SER 69 Cb 0.00 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.02 3ktj n SER 69 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3ktj h ILE 70 N 3.61 1.24 -0.15 2.46 2.04 -1.99 -2.75 117.51 121.96 3ktj h ILE 70 Ca -0.45 -0.83 -0.10 0.00 1.00 0.00 0.00 64.86 64.48 3ktj h ILE 70 Cb 1.25 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 3ktj h ILE 70 CO 0.89 0.30 -0.34 0.71 0.00 0.00 0.00 178.15 179.71 3ktj h THR 71 N 0.64 1.28 -0.57 -0.27 1.35 -1.98 -2.59 112.91 110.77 3ktj h THR 71 Ca 0.15 -1.36 -0.07 0.00 -0.55 0.00 0.00 66.41 64.58 3ktj h THR 71 Cb 0.33 1.54 -0.02 0.00 -1.73 0.00 0.00 68.15 68.26 3ktj h THR 71 CO 0.00 0.42 0.08 0.00 -0.25 0.00 0.00 175.52 175.77 3ktj h ALA 72 N 1.39 1.06 -0.18 6.62 0.00 -1.86 -2.60 119.26 123.68 3ktj h ALA 72 Ca 0.03 -0.25 -0.20 0.00 0.00 0.00 0.00 54.91 54.49 3ktj h ALA 72 Cb 0.73 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3ktj h ALA 72 CO 0.06 0.61 -0.68 0.78 0.00 0.00 0.00 179.25 180.01 3ktj h GLY 73 N 1.01 0.80 1.52 0.00 0.00 -1.35 -3.04 103.07 102.01 3ktj h GLY 73 Ca 0.18 -1.05 0.00 0.00 0.00 0.00 0.00 47.33 46.46 3ktj h GLY 73 CO 0.01 0.94 0.30 -0.33 0.00 0.00 0.00 176.54 177.46 3ktj h MET 74 N 0.52 0.64 -0.24 4.80 2.86 -1.34 0.19 114.93 122.36 3ktj h MET 74 Ca -0.02 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3ktj h MET 74 Cb 1.29 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 3ktj h MET 74 CO 0.14 0.44 0.16 0.00 1.06 0.00 0.00 176.91 178.71 3ktj h ALA 75 N 1.67 1.98 0.09 6.32 0.00 -1.35 0.24 119.26 128.22 3ktj h ALA 75 Ca 0.17 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.75 3ktj h ALA 75 Cb -0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3ktj h ALA 75 CO -0.03 -0.02 -1.72 0.82 0.00 0.00 0.00 179.25 178.30 3ktj h ILE 76 N 0.20 0.91 -0.76 0.00 2.04 -1.16 -3.21 117.51 115.53 3ktj h ILE 76 Ca 0.10 -2.63 0.03 0.00 1.00 0.00 0.00 64.86 63.37 3ktj h ILE 76 Cb 0.16 2.60 -0.04 0.00 -0.74 0.00 0.00 36.82 38.80 3ktj h ILE 76 CO -0.02 0.77 0.50 0.22 0.00 0.00 0.00 178.15 179.62 3ktj h TYR 77 N 0.05 0.90 0.04 1.37 3.20 0.32 -2.53 116.97 120.32 3ktj h TYR 77 Ca -0.31 0.02 -0.22 0.00 3.14 0.00 0.00 58.73 61.36 3ktj h TYR 77 Cb 2.02 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 39.97 3ktj h TYR 77 CO 0.05 0.53 -1.05 -0.44 -1.64 0.00 0.00 178.16 175.61 3ktj h ASP 78 N 0.94 0.14 0.49 -2.11 3.45 -1.11 -3.20 116.42 115.02 3ktj h ASP 78 Ca 0.30 -0.14 -0.10 0.00 0.43 0.00 0.00 57.03 57.51 3ktj h ASP 78 Cb 0.04 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 38.75 3ktj h ASP 78 CO -0.08 1.09 -0.50 0.74 -1.57 0.00 0.00 179.24 178.92 3ktj h THR 79 N 0.03 1.36 -0.64 0.35 2.02 -1.48 -2.03 112.91 112.51 3ktj h THR 79 Ca -0.05 -1.70 -0.09 0.00 0.77 0.00 0.00 66.41 65.34 3ktj h THR 79 Cb 1.79 1.92 -0.02 0.00 -1.74 0.00 0.00 68.15 70.09 3ktj h THR 79 CO 0.15 0.49 0.05 0.24 0.37 0.00 0.00 175.52 176.81 3ktj h MET 80 N 0.01 1.10 -0.37 6.66 2.86 -1.51 -2.87 114.93 120.79 3ktj h MET 80 Ca -0.00 -0.32 -0.14 0.00 -2.06 0.00 0.00 59.70 57.17 3ktj h MET 80 Cb 0.88 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 3ktj h MET 80 CO 0.06 1.04 -0.33 1.96 1.06 0.00 0.00 176.91 180.70 3ktj h GLN 81 N 1.01 0.84 0.22 1.72 1.08 -1.48 -3.35 115.11 115.16 3ktj h GLN 81 Ca 0.19 -0.41 -0.01 0.00 -1.45 0.00 0.00 58.65 56.97 3ktj h GLN 81 Cb 0.51 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 3ktj h GLN 81 CO 0.02 1.05 -0.11 0.35 -0.95 0.00 0.00 178.83 179.19 3ktj h PHE 82 N 0.70 -0.28 -4.05 2.96 3.57 -1.29 -3.46 116.94 115.09 3ktj h PHE 82 Ca 0.07 -0.01 -0.50 0.00 3.53 0.00 0.00 57.97 61.06 3ktj h PHE 82 Cb 0.89 0.09 0.20 0.00 2.79 0.00 0.00 35.95 39.93 3ktj h PHE 82 CO 0.05 0.11 0.17 0.44 -2.23 0.00 0.00 178.31 176.85 3ktj n ILE 83 N -5.01 0.00 -0.04 1.41 -5.35 -1.09 -4.99 119.36 104.28 3ktj n ILE 83 Ca -0.08 -0.09 -0.09 0.00 -0.27 0.00 0.00 62.75 62.21 3ktj n ILE 83 Cb 0.26 -1.00 -0.08 0.00 -1.74 0.00 0.00 39.64 37.08 3ktj n ILE 83 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 3ktj h LYS 84 N -2.07 -0.04 -6.27 6.28 1.57 -1.90 -3.47 116.57 110.68 3ktj h LYS 84 Ca -0.47 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.64 3ktj h LYS 84 Cb 1.28 0.01 0.06 0.00 0.08 0.00 0.00 32.23 33.66 3ktj h LYS 84 CO 0.43 0.56 0.37 -2.30 -0.57 0.00 0.00 179.45 177.94 3ktj n PRO 85 N -4.72 1.09 -2.10 3.15 -0.02 -1.24 -4.89 135.00 126.28 3ktj n PRO 85 Ca -0.07 0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 61.39 3ktj n PRO 85 Cb 0.30 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 3ktj n PRO 85 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3ktj s LYS 86 N 0.19 4.30 -0.37 -0.52 1.02 -1.26 -4.77 119.74 118.33 3ktj s LYS 86 Ca 0.81 2.18 -0.11 0.00 0.02 0.00 0.00 55.97 58.87 3ktj s LYS 86 Cb -0.94 -3.19 0.02 0.00 -0.52 0.00 0.00 37.83 33.20 3ktj s LYS 86 CO 0.49 -0.44 0.20 0.08 -0.92 0.00 0.00 175.35 174.76 3ktj s VAL 87 N 0.74 4.59 0.13 3.17 1.01 -1.26 -1.48 120.40 127.31 3ktj s VAL 87 Ca 0.63 -0.81 -0.14 0.00 0.00 0.00 0.00 61.98 61.66 3ktj s VAL 87 Cb -0.39 -3.54 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 3ktj s VAL 87 CO 0.34 -0.21 0.54 -0.94 0.00 0.00 0.00 175.10 174.83 3ktj s SER 88 N 1.56 6.83 -0.13 3.32 1.04 -0.05 -1.87 113.70 124.40 3ktj s SER 88 Ca 0.02 1.07 0.00 0.00 0.48 0.00 0.00 55.95 57.52 3ktj s SER 88 Cb -0.19 -2.29 -0.01 0.00 0.10 0.00 0.00 66.02 63.63 3ktj s SER 88 CO 0.07 0.12 -0.14 0.42 0.98 0.00 0.00 173.24 174.69 3ktj s THR 89 N -1.43 2.92 -0.18 2.02 -4.23 -0.51 -0.24 115.64 113.99 3ktj s THR 89 Ca 0.37 -0.70 0.01 0.00 -1.18 0.00 0.00 61.69 60.18 3ktj s THR 89 Cb -0.15 -2.22 0.04 0.00 1.34 0.00 0.00 72.50 71.50 3ktj s THR 89 CO 0.19 0.52 -0.10 -0.63 -0.54 0.00 0.00 174.62 174.06 3ktj s ILE 90 N 0.46 1.54 -0.52 2.99 1.09 -0.89 0.24 121.20 126.11 3ktj s ILE 90 Ca -0.10 -0.86 -0.26 0.00 -1.10 0.00 0.00 60.65 58.33 3ktj s ILE 90 Cb -0.16 -1.59 0.03 0.00 -1.06 0.00 0.00 42.46 39.68 3ktj s ILE 90 CO 0.05 0.23 0.99 0.00 -0.10 0.00 0.00 174.94 176.11 3ktj s ILE 92 N 4.09 4.43 0.00 0.00 2.07 0.12 -2.60 121.20 129.31 3ktj s ILE 92 Ca 0.36 -3.08 0.00 0.00 -1.41 0.00 0.00 60.65 56.52 3ktj s ILE 92 Cb -0.10 -3.79 0.00 0.00 0.13 0.00 0.00 42.46 38.69 3ktj s ILE 92 CO 0.24 -0.98 0.00 0.61 -1.91 0.00 0.00 174.94 172.90 3ktj n GLY 93 N 3.29 2.44 3.44 1.50 0.00 -1.26 -4.43 105.19 110.17 3ktj n GLY 93 Ca 0.13 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 3ktj n GLY 93 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ktj s MET 94 N 0.00 0.64 -0.27 1.61 -2.45 -1.26 -1.93 119.30 115.64 3ktj s MET 94 Ca 0.00 0.75 -0.02 0.00 -1.25 0.00 0.00 55.69 55.17 3ktj s MET 94 Cb 0.00 0.31 0.09 0.00 1.25 0.00 0.00 34.83 36.48 3ktj s MET 94 CO 0.00 -0.08 0.08 0.00 1.05 0.00 0.00 175.02 176.07 3ktj s ALA 95 N 0.27 1.32 0.03 4.11 0.00 -0.79 -0.29 121.76 126.42 3ktj s ALA 95 Ca -0.00 -1.33 0.05 0.00 0.00 0.00 0.00 51.96 50.68 3ktj s ALA 95 Cb -0.04 -1.47 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 3ktj s ALA 95 CO 0.01 -1.50 -0.10 0.00 0.00 0.00 0.00 175.76 174.17 3ktj s ALA 96 N 1.72 2.91 0.00 0.00 0.00 -0.17 -1.48 121.76 124.74 3ktj s ALA 96 Ca 0.06 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.92 3ktj s ALA 96 Cb -0.17 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 21.95 3ktj s ALA 96 CO -0.21 0.61 0.00 0.45 0.00 0.00 0.00 175.76 176.62 3ktj n SER 97 N 1.40 0.00 0.31 0.00 2.88 0.65 -1.53 113.62 117.32 3ktj n SER 97 Ca -0.15 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.59 3ktj n SER 97 Cb 0.52 0.00 1.07 0.00 -0.75 0.00 0.00 64.21 65.05 3ktj n SER 97 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 3ktj h MET 98 N 0.00 0.00 0.15 -1.46 0.00 -1.88 0.14 114.93 111.88 3ktj h MET 98 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 59.70 59.41 3ktj h MET 98 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 31.60 31.61 3ktj h MET 98 CO 0.00 0.00 -1.29 0.78 0.00 0.00 0.00 176.91 176.40 3ktj h GLY 99 N 0.00 0.37 1.40 8.32 0.00 -1.57 -2.67 103.07 108.92 3ktj h GLY 99 Ca 0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 47.33 46.35 3ktj h GLY 99 CO 0.00 0.82 0.13 0.00 0.00 0.00 0.00 176.54 177.49 3ktj h ALA 100 N 0.50 1.29 -0.65 3.60 0.00 -1.07 -2.34 119.26 120.58 3ktj h ALA 100 Ca -0.16 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 3ktj h ALA 100 Cb 2.01 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.57 3ktj h ALA 100 CO 0.22 0.50 0.19 0.35 0.00 0.00 0.00 179.25 180.51 3ktj h PHE 101 N 0.73 1.06 -0.00 0.00 3.57 -1.28 -2.69 116.94 118.34 3ktj h PHE 101 Ca 0.17 -0.11 -0.17 0.00 3.53 0.00 0.00 57.97 61.38 3ktj h PHE 101 Cb 0.26 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 3ktj h PHE 101 CO 0.01 0.87 -0.80 -0.07 -2.23 0.00 0.00 178.31 176.09 3ktj h LEU 102 N 0.95 0.04 -0.11 0.59 3.38 -1.21 -2.69 115.31 116.27 3ktj h LEU 102 Ca 0.21 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3ktj h LEU 102 Cb 0.31 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3ktj h LEU 102 CO -0.00 0.82 0.04 0.25 0.09 0.00 0.00 178.44 179.64 3ktj h LEU 103 N 0.02 0.15 -1.12 1.67 5.85 -1.33 -2.11 115.31 118.44 3ktj h LEU 103 Ca -0.01 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.52 3ktj h LEU 103 Cb 1.41 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.40 3ktj h LEU 103 CO 0.11 0.30 0.00 0.00 -0.34 0.00 0.00 178.44 178.50 3ktj h ALA 104 N 0.87 1.00 -0.01 1.25 0.00 -1.49 -2.11 119.26 118.76 3ktj h ALA 104 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ktj h ALA 104 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3ktj h ALA 104 CO -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 179.25 179.10 3ktj n ALA 105 N -1.81 2.86 -0.95 0.00 0.00 -0.80 -4.90 120.51 114.91 3ktj n ALA 105 Ca 0.01 -0.33 -0.31 0.00 0.00 0.00 0.00 53.44 52.80 3ktj n ALA 105 Cb 0.16 -1.25 0.14 0.00 0.00 0.00 0.00 19.45 18.50 3ktj n ALA 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ktj s GLY 106 N -2.42 1.67 -0.08 0.00 0.00 -0.80 -4.86 107.32 100.83 3ktj s GLY 106 Ca 0.29 0.39 -0.35 0.00 0.00 0.00 0.00 44.72 45.05 3ktj s GLY 106 CO 0.47 0.80 1.80 -2.21 0.00 0.00 0.00 173.10 173.97 3ktj n GLU 107 N -3.95 1.97 -1.65 2.90 4.07 -0.78 -4.79 120.64 118.41 3ktj n GLU 107 Ca 0.10 0.72 -0.63 0.00 -0.06 0.00 0.00 57.16 57.29 3ktj n GLU 107 Cb 0.53 -2.53 -0.09 0.00 -0.06 0.00 0.00 31.44 29.29 3ktj n GLU 107 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3ktj n LYS 108 N 5.90 0.38 0.00 5.31 3.00 -1.26 0.58 118.16 132.08 3ktj n LYS 108 Ca 0.22 0.13 0.00 0.00 -0.00 0.00 0.00 58.31 58.67 3ktj n LYS 108 Cb 0.26 -1.72 0.00 0.00 0.00 0.00 0.00 35.03 33.57 3ktj n LYS 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ktj n GLY 109 N 4.69 0.67 0.69 3.14 0.00 -1.26 -4.90 105.19 108.22 3ktj n GLY 109 Ca 0.34 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.40 3ktj n GLY 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ktj n LYS 110 N -1.96 1.62 -3.50 1.61 4.76 0.20 -4.87 118.16 116.02 3ktj n LYS 110 Ca 0.00 -3.30 -0.42 0.00 -2.87 0.00 0.00 58.31 51.71 3ktj n LYS 110 Cb 0.00 -1.59 -0.10 0.00 -1.84 0.00 0.00 35.03 31.49 3ktj n LYS 110 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3ktj s ARG 111 N -3.15 2.92 0.30 1.97 0.52 -1.25 -1.42 118.95 118.84 3ktj s ARG 111 Ca 0.38 -1.05 0.08 0.00 -0.52 0.00 0.00 55.73 54.62 3ktj s ARG 111 Cb 0.37 -3.91 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 3ktj s ARG 111 CO -0.07 -0.75 0.19 0.71 0.02 0.00 0.00 175.30 175.40 3ktj s TYR 112 N 1.64 2.89 -0.13 -0.53 4.12 0.67 -0.50 117.35 125.51 3ktj s TYR 112 Ca 0.04 -0.25 -0.24 0.00 0.02 0.00 0.00 57.07 56.64 3ktj s TYR 112 Cb -0.19 -1.55 0.06 0.00 -1.52 0.00 0.00 41.96 38.76 3ktj s TYR 112 CO 0.09 0.39 0.60 0.00 0.02 0.00 0.00 175.55 176.64 3ktj s ALA 113 N -2.28 -1.51 0.47 3.71 0.00 -1.16 -0.88 121.76 120.10 3ktj s ALA 113 Ca 0.36 1.36 -0.03 0.00 0.00 0.00 0.00 51.96 53.65 3ktj s ALA 113 Cb -0.06 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 3ktj s ALA 113 CO 0.24 -0.32 0.73 -0.51 0.00 0.00 0.00 175.76 175.91 3ktj s LEU 114 N -0.54 3.64 0.18 0.00 1.43 -1.07 -2.66 118.68 119.66 3ktj s LEU 114 Ca -0.06 0.64 -0.25 0.00 -1.03 0.00 0.00 54.13 53.43 3ktj s LEU 114 Cb -0.03 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.71 3ktj s LEU 114 CO 0.05 -0.64 1.56 -0.65 0.23 0.00 0.00 176.35 176.90 3ktj h PRO 115 N 0.30 -0.15 -0.64 1.29 0.11 -1.92 -2.19 132.00 128.80 3ktj h PRO 115 Ca -0.47 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3ktj h PRO 115 Cb 1.23 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3ktj h PRO 115 CO 0.60 -0.10 0.00 0.09 -0.21 0.00 0.00 178.00 178.38 3ktj n ASN 116 N -5.39 3.76 -4.60 -2.05 4.13 -1.26 -4.28 115.26 105.56 3ktj n ASN 116 Ca 0.03 -2.42 -0.29 0.00 1.68 0.00 0.00 54.58 53.58 3ktj n ASN 116 Cb 0.34 -0.53 0.20 0.00 -1.54 0.00 0.00 39.78 38.25 3ktj n ASN 116 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3ktj s SER 117 N -0.70 2.11 0.00 6.41 0.01 -0.82 -4.91 113.70 115.81 3ktj s SER 117 Ca 0.37 1.74 0.01 0.00 1.31 0.00 0.00 55.95 59.37 3ktj s SER 117 Cb 0.25 -2.37 -0.00 0.00 0.21 0.00 0.00 66.02 64.11 3ktj s SER 117 CO 0.15 -3.53 -0.02 -0.70 0.41 0.00 0.00 173.24 169.55 3ktj s GLU 118 N -4.62 0.17 -0.03 12.44 2.12 -0.81 -3.07 118.70 124.90 3ktj s GLU 118 Ca 0.67 -0.13 0.03 0.00 0.36 0.00 0.00 54.97 55.90 3ktj s GLU 118 Cb -0.23 -0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.04 3ktj s GLU 118 CO 0.61 0.03 -0.11 0.08 -0.54 0.00 0.00 175.26 175.33 3ktj s VAL 119 N -0.19 0.96 -0.03 3.70 1.01 0.10 -1.88 120.40 124.07 3ktj s VAL 119 Ca -0.01 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.54 3ktj s VAL 119 Cb -0.02 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.53 3ktj s VAL 119 CO -0.00 0.29 -0.05 -0.32 0.00 0.00 0.00 175.10 175.02 3ktj s MET 120 N 0.20 0.75 -0.05 2.72 0.00 -0.55 -0.39 119.30 121.98 3ktj s MET 120 Ca -0.04 -0.15 0.04 0.00 0.00 0.00 0.00 55.69 55.54 3ktj s MET 120 Cb -0.10 -0.74 -0.00 0.00 0.00 0.00 0.00 34.83 33.99 3ktj s MET 120 CO 0.01 -0.01 -0.18 0.96 0.00 0.00 0.00 175.02 175.80 3ktj s ILE 121 N 0.57 1.51 0.00 10.11 -4.36 -0.83 -0.25 121.20 127.96 3ktj s ILE 121 Ca -0.08 -0.76 0.00 0.00 -0.26 0.00 0.00 60.65 59.55 3ktj s ILE 121 Cb -0.11 -1.30 0.00 0.00 1.25 0.00 0.00 42.46 42.30 3ktj s ILE 121 CO 0.00 0.43 0.00 0.00 0.24 0.00 0.00 174.94 175.61 3ktj n HIS 122 N 3.13 -0.10 -4.15 1.37 1.44 -1.26 -2.52 115.22 113.14 3ktj n HIS 122 Ca -0.18 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.31 3ktj n HIS 122 Cb 0.53 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.59 3ktj n HIS 122 CO 0.00 0.00 0.00 1.14 -2.81 0.00 0.00 176.34 174.67 3ktj s GLN 123 N -0.15 2.78 0.55 -1.40 -2.07 -1.04 -4.90 119.66 113.43 3ktj s GLN 123 Ca 0.00 -1.15 -0.20 0.00 -1.82 0.00 0.00 55.36 52.19 3ktj s GLN 123 Cb 0.00 -2.47 -0.06 0.00 -1.09 0.00 0.00 33.01 29.39 3ktj s GLN 123 CO 0.00 0.38 0.96 -2.30 -1.32 0.00 0.00 175.29 173.01 3ktj n PRO 124 N -1.12 1.02 -4.85 9.60 -0.02 -1.26 -5.04 135.00 133.32 3ktj n PRO 124 Ca -0.07 0.39 -0.28 0.00 -2.02 0.00 0.00 63.50 61.51 3ktj n PRO 124 Cb 0.58 -2.13 -0.15 0.00 -0.02 0.00 0.00 33.50 31.79 3ktj n PRO 124 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ktj s LEU 125 N -1.54 2.15 0.00 2.45 1.43 -1.26 -5.09 118.68 116.82 3ktj s LEU 125 Ca 0.72 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 3ktj s LEU 125 Cb -0.45 -1.17 0.00 0.00 0.03 0.00 0.00 46.19 44.60 3ktj s LEU 125 CO 0.50 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.92 3ktj n GLY 126 N 1.91 1.27 3.41 -3.19 0.00 -1.26 -5.11 105.19 102.23 3ktj n GLY 126 Ca -0.17 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 3ktj n GLY 126 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ktj s GLY 127 N -1.67 -0.14 -0.19 -0.02 0.00 -1.26 -5.17 107.32 98.87 3ktj s GLY 127 Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 44.72 44.43 3ktj s GLY 127 CO 0.00 -0.31 0.46 0.00 0.00 0.00 0.00 173.10 173.25 3ktj s ALA 128 N -3.85 -1.21 -0.14 3.20 0.00 -1.26 -5.03 121.76 113.48 3ktj s ALA 128 Ca 0.07 1.70 -0.03 0.00 0.00 0.00 0.00 51.96 53.70 3ktj s ALA 128 Cb 0.01 -1.02 0.05 0.00 0.00 0.00 0.00 23.12 22.15 3ktj s ALA 128 CO -0.07 -0.29 0.04 -1.14 0.00 0.00 0.00 175.76 174.30 3ktj s GLN 129 N 1.43 0.47 0.00 0.00 2.00 -1.26 -4.96 119.66 117.35 3ktj s GLN 129 Ca -0.10 -0.12 0.00 0.00 -2.00 0.00 0.00 55.36 53.15 3ktj s GLN 129 Cb -0.08 -1.55 0.00 0.00 0.80 0.00 0.00 33.01 32.18 3ktj s GLN 129 CO -0.14 -0.51 0.00 0.41 -0.50 0.00 0.00 175.29 174.55 3ktj n GLY 130 N 5.14 -0.50 3.80 2.59 0.00 -1.26 -4.96 105.19 110.00 3ktj n GLY 130 Ca -0.07 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 3ktj n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ktj s GLN 131 N -1.95 1.95 0.32 1.61 -0.21 -1.26 -4.81 119.66 115.31 3ktj s GLN 131 Ca 0.00 0.63 0.04 0.00 0.02 0.00 0.00 55.36 56.05 3ktj s GLN 131 Cb 0.00 -1.90 0.64 0.00 1.00 0.00 0.00 33.01 32.75 3ktj s GLN 131 CO 0.00 -1.71 1.89 0.00 -2.12 0.00 0.00 175.29 173.34 3ktj h ALA 132 N -1.16 1.63 -0.50 6.09 0.00 -2.01 -0.33 119.26 122.99 3ktj h ALA 132 Ca -0.47 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 3ktj h ALA 132 Cb 1.27 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3ktj h ALA 132 CO 0.59 0.18 0.04 1.15 0.00 0.00 0.00 179.25 181.21 3ktj h THR 133 N 0.89 1.24 -0.03 0.00 2.02 -1.99 0.17 112.91 115.21 3ktj h THR 133 Ca 0.42 -0.95 -0.22 0.00 0.77 0.00 0.00 66.41 66.43 3ktj h THR 133 Cb 0.42 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3ktj h THR 133 CO -0.18 0.34 -0.88 -0.33 0.37 0.00 0.00 175.52 174.84 3ktj h GLU 134 N 0.76 0.44 -0.56 6.66 5.08 -1.55 -2.68 114.58 122.74 3ktj h GLU 134 Ca 0.15 -0.44 -0.09 0.00 -1.00 0.00 0.00 59.36 57.99 3ktj h GLU 134 Cb 0.41 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3ktj h GLU 134 CO 0.01 1.09 0.01 0.82 -1.00 0.00 0.00 179.01 179.94 3ktj h ILE 135 N 0.27 1.26 -0.65 3.13 2.04 -0.90 -2.87 117.51 119.80 3ktj h ILE 135 Ca -0.07 -1.11 -0.05 0.00 1.00 0.00 0.00 64.86 64.64 3ktj h ILE 135 Cb 1.50 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 3ktj h ILE 135 CO 0.15 0.40 0.22 -0.08 0.00 0.00 0.00 178.15 178.84 3ktj h GLU 136 N 0.87 0.98 -0.74 2.37 4.81 -0.94 -1.25 114.58 120.67 3ktj h GLU 136 Ca 0.16 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 3ktj h GLU 136 Cb 0.53 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 3ktj h GLU 136 CO 0.03 0.83 0.27 0.82 -0.73 0.00 0.00 179.01 180.22 3ktj h ILE 137 N 0.95 1.26 -0.06 2.32 2.04 -1.28 -2.60 117.51 120.14 3ktj h ILE 137 Ca 0.21 -0.84 -0.19 0.00 1.00 0.00 0.00 64.86 65.04 3ktj h ILE 137 Cb 0.25 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3ktj h ILE 137 CO -0.01 0.34 -0.78 0.00 0.00 0.00 0.00 178.15 177.69 3ktj h ALA 138 N 1.19 0.54 -0.07 1.87 0.00 -1.28 -3.07 119.26 118.45 3ktj h ALA 138 Ca 0.25 -0.64 0.01 0.00 0.00 0.00 0.00 54.91 54.53 3ktj h ALA 138 Cb 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3ktj h ALA 138 CO -0.01 0.79 -0.00 0.00 0.00 0.00 0.00 179.25 180.02 3ktj h ALA 139 N 0.90 0.06 -0.78 0.00 0.00 -1.01 -2.73 119.26 115.71 3ktj h ALA 139 Ca -0.04 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3ktj h ALA 139 Cb 1.37 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 3ktj h ALA 139 CO 0.13 -0.47 0.28 0.87 0.00 0.00 0.00 179.25 180.06 3ktj h LYS 140 N 0.02 1.18 -0.08 0.00 1.57 -1.53 -2.57 116.57 115.17 3ktj h LYS 140 Ca 0.03 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 3ktj h LYS 140 Cb 0.04 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 3ktj h LYS 140 CO -0.05 0.97 0.03 -0.09 -0.57 0.00 0.00 179.45 179.73 3ktj h ARG 141 N 1.14 0.12 -0.24 3.15 2.43 -1.43 -2.24 114.38 117.32 3ktj h ARG 141 Ca 0.26 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.32 3ktj h ARG 141 Cb 0.26 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3ktj h ARG 141 CO -0.02 0.27 -0.21 0.97 -1.51 0.00 0.00 179.97 179.47 3ktj h ILE 142 N -0.05 1.25 -0.14 1.20 2.10 -1.48 -2.11 117.51 118.28 3ktj h ILE 142 Ca 0.03 -1.16 -0.10 0.00 1.08 0.00 0.00 64.86 64.70 3ktj h ILE 142 Cb 0.20 1.30 -0.01 0.00 -1.09 0.00 0.00 36.82 37.22 3ktj h ILE 142 CO -0.00 0.37 -0.37 -0.07 -1.08 0.00 0.00 178.15 177.00 3ktj h LEU 143 N 0.39 0.31 0.29 2.19 3.38 -1.39 -1.74 115.31 118.73 3ktj h LEU 143 Ca 0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3ktj h LEU 143 Cb 0.60 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3ktj h LEU 143 CO 0.04 0.66 -0.14 -0.07 0.09 0.00 0.00 178.44 179.02 3ktj h LEU 144 N 0.25 -0.33 -0.57 1.67 3.38 -0.92 -2.24 115.31 116.55 3ktj h LEU 144 Ca 0.03 -0.17 0.12 0.00 0.09 0.00 0.00 57.88 57.94 3ktj h LEU 144 Cb 0.77 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.51 3ktj h LEU 144 CO 0.06 0.01 -0.04 -0.07 0.09 0.00 0.00 178.44 178.49 3ktj h LEU 145 N -0.70 -0.33 -1.60 1.67 3.38 -1.29 0.25 115.31 116.70 3ktj h LEU 145 Ca -0.04 0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.14 3ktj h LEU 145 Cb 0.48 0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 3ktj h LEU 145 CO 0.07 -0.12 0.36 -0.09 0.09 0.00 0.00 178.44 178.74 3ktj h ARG 146 N 0.08 0.48 0.00 1.13 2.43 -1.28 0.10 114.38 117.33 3ktj h ARG 146 Ca 0.29 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.25 3ktj h ARG 146 Cb 0.46 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 3ktj h ARG 146 CO -0.51 0.32 -0.88 0.22 -1.51 0.00 0.00 179.97 177.60 3ktj h ASP 147 N 0.49 0.00 0.42 -3.80 -0.00 -0.01 -2.41 116.42 111.11 3ktj h ASP 147 Ca 0.24 0.00 -0.23 0.00 -0.00 0.00 0.00 57.03 57.03 3ktj h ASP 147 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.63 3ktj h ASP 147 CO -0.06 0.88 -0.99 0.50 -0.00 0.00 0.00 179.24 179.57 3ktj h LYS 148 N 0.00 0.36 -0.15 0.28 3.64 0.56 -3.03 116.57 118.23 3ktj h LYS 148 Ca -0.01 -0.42 -0.10 0.00 -1.27 0.00 0.00 60.65 58.85 3ktj h LYS 148 Cb 1.60 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.55 3ktj h LYS 148 CO 0.11 1.11 -0.31 -0.07 -2.27 0.00 0.00 179.45 178.02 3ktj h LEU 149 N 0.19 0.53 -1.25 5.20 3.38 -0.90 -3.08 115.31 119.37 3ktj h LEU 149 Ca -0.08 -0.56 0.07 0.00 0.09 0.00 0.00 57.88 57.40 3ktj h LEU 149 Cb 1.64 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 42.18 3ktj h LEU 149 CO 0.17 0.99 0.54 0.78 0.09 0.00 0.00 178.44 181.01 3ktj h ASN 150 N 0.10 0.79 0.04 -0.43 2.35 -1.49 -1.85 115.58 115.08 3ktj h ASN 150 Ca 0.00 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3ktj h ASN 150 Cb 0.90 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.11 3ktj h ASN 150 CO 0.07 0.50 -0.02 0.11 -1.65 0.00 0.00 177.43 176.44 3ktj h LYS 151 N 0.89 -0.05 -0.06 0.81 1.57 -1.58 -2.47 116.57 115.68 3ktj h LYS 151 Ca 0.37 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.17 3ktj h LYS 151 Cb 0.27 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 3ktj h LYS 151 CO -0.14 0.46 0.10 0.28 -0.57 0.00 0.00 179.45 179.58 3ktj h VAL 152 N -0.57 0.31 0.15 0.50 2.07 -1.39 -1.64 116.25 115.68 3ktj h VAL 152 Ca -0.00 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.21 3ktj h VAL 152 Cb 0.52 0.91 0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3ktj h VAL 152 CO 0.01 0.00 -1.29 -0.07 0.02 0.00 0.00 177.57 176.24 3ktj h LEU 153 N 0.00 0.77 -1.55 2.57 3.38 -1.23 -2.70 115.31 116.55 3ktj h LEU 153 Ca 0.03 -0.75 -0.05 0.00 0.09 0.00 0.00 57.88 57.20 3ktj h LEU 153 Cb 0.23 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3ktj h LEU 153 CO -0.00 1.57 -0.23 0.00 0.09 0.00 0.00 178.44 179.87 3ktj h ALA 154 N 0.34 1.36 0.08 1.53 0.00 -0.84 -1.69 119.26 120.03 3ktj h ALA 154 Ca -0.19 -0.21 -0.25 0.00 0.00 0.00 0.00 54.91 54.25 3ktj h ALA 154 Cb 1.97 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 3ktj h ALA 154 CO 0.24 0.29 -1.16 0.93 0.00 0.00 0.00 179.25 179.55 3ktj h GLU 155 N 0.00 0.17 0.00 0.00 5.08 -1.45 0.06 114.58 118.43 3ktj h GLU 155 Ca -0.00 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3ktj h GLU 155 Cb 0.50 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3ktj h GLU 155 CO 0.03 1.13 -0.46 0.00 -1.00 0.00 0.00 179.01 178.71 3ktj h ARG 156 N 0.05 0.00 0.00 2.33 2.47 -1.28 -3.38 114.38 114.57 3ktj h ARG 156 Ca -0.09 0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.28 3ktj h ARG 156 Cb 1.90 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 30.16 3ktj h ARG 156 CO 0.17 0.00 -2.23 0.25 0.56 0.00 0.00 179.97 178.72 3ktj n THR 157 N -2.53 1.22 0.00 2.04 -2.24 -0.65 -4.74 114.28 107.38 3ktj n THR 157 Ca 0.03 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3ktj n THR 157 Cb 0.49 -1.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 3ktj n THR 157 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ktj n GLY 158 N 2.02 0.76 3.78 3.38 0.00 -0.00 -4.65 105.19 110.47 3ktj n GLY 158 Ca -0.41 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 3ktj n GLY 158 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ktj s GLN 159 N -0.61 4.47 0.24 1.61 -1.52 -1.17 -5.01 119.66 117.67 3ktj s GLN 159 Ca 0.00 1.44 -0.30 0.00 -1.95 0.00 0.00 55.36 54.55 3ktj s GLN 159 Cb 0.00 -2.77 -0.09 0.00 -0.22 0.00 0.00 33.01 29.93 3ktj s GLN 159 CO 0.00 0.15 1.22 -1.25 -0.25 0.00 0.00 175.29 175.16 3ktj s PRO 160 N -2.11 4.48 0.42 2.91 0.04 -1.26 -4.49 135.00 134.99 3ktj s PRO 160 Ca 0.52 1.96 0.23 0.00 0.04 0.00 0.00 61.00 63.75 3ktj s PRO 160 Cb -0.21 -3.19 1.24 0.00 0.04 0.00 0.00 34.50 32.39 3ktj s PRO 160 CO 0.27 -0.07 1.71 1.25 0.04 0.00 0.00 177.00 180.20 3ktj h LEU 161 N 4.57 0.35 0.00 -3.56 5.85 -1.91 0.54 115.31 121.14 3ktj h LEU 161 Ca -0.46 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3ktj h LEU 161 Cb 1.22 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.31 3ktj h LEU 161 CO 0.71 -0.03 0.00 1.21 -0.34 0.00 0.00 178.44 179.99 3ktj n GLU 162 N -4.66 0.16 -0.09 1.25 4.07 -1.26 -1.66 120.64 118.45 3ktj n GLU 162 Ca 0.30 0.17 -0.17 0.00 -0.06 0.00 0.00 57.16 57.40 3ktj n GLU 162 Cb 1.11 -1.50 -0.07 0.00 -0.06 0.00 0.00 31.44 30.92 3ktj n GLU 162 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3ktj n VAL 163 N -1.24 1.01 -0.11 6.31 0.31 0.19 -4.26 118.33 120.53 3ktj n VAL 163 Ca 0.05 -0.30 0.15 0.00 -0.01 0.00 0.00 64.34 64.22 3ktj n VAL 163 Cb 0.07 -1.52 0.53 0.00 -0.91 0.00 0.00 33.84 32.01 3ktj n VAL 163 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3ktj h ILE 164 N -0.43 0.82 -0.51 2.52 1.08 -1.22 -0.47 117.51 119.30 3ktj h ILE 164 Ca -0.44 -0.12 -0.04 0.00 -0.39 0.00 0.00 64.86 63.87 3ktj h ILE 164 Cb 1.48 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 35.65 3ktj h ILE 164 CO -0.21 0.06 0.17 -0.33 -0.69 0.00 0.00 178.15 177.16 3ktj h GLU 165 N 0.35 0.78 0.00 2.37 5.08 -1.53 -2.70 114.58 118.93 3ktj h GLU 165 Ca 0.32 -0.16 -0.23 0.00 -1.00 0.00 0.00 59.36 58.29 3ktj h GLU 165 Cb 0.77 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 3ktj h GLU 165 CO -0.09 0.72 -1.23 -0.09 -1.00 0.00 0.00 179.01 177.32 3ktj h ARG 166 N 0.69 0.00 0.00 2.33 2.43 -1.60 -3.29 114.38 114.94 3ktj h ARG 166 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3ktj h ARG 166 Cb 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3ktj h ARG 166 CO -0.01 0.74 0.00 -0.44 -1.51 0.00 0.00 179.97 178.75 3ktj h ASP 167 N 0.00 0.00 -0.26 -3.80 5.19 -1.06 -3.02 116.42 113.48 3ktj h ASP 167 Ca -0.11 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 3ktj h ASP 167 Cb 1.81 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.32 3ktj h ASP 167 CO 0.10 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 176.57 3ktj n THR 168 N -2.55 0.87 -0.23 0.35 -2.24 -1.02 -4.62 114.28 104.84 3ktj n THR 168 Ca 0.02 -0.93 -0.02 0.00 -2.27 0.00 0.00 64.05 60.85 3ktj n THR 168 Cb 0.31 0.59 0.09 0.00 -2.10 0.00 0.00 70.33 69.23 3ktj n THR 168 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 3ktj h ASP 169 N 1.73 0.53 -3.76 3.42 -0.00 -1.60 -2.74 116.42 114.00 3ktj h ASP 169 Ca 0.00 0.03 -0.40 0.00 -0.00 0.00 0.00 57.03 56.66 3ktj h ASP 169 Cb 0.66 -0.07 -0.14 0.00 -0.00 0.00 0.00 39.33 39.77 3ktj h ASP 169 CO 0.00 0.34 -0.65 -0.13 -0.00 0.00 0.00 179.24 178.80 3ktj s ARG 170 N -6.10 1.40 0.03 0.28 0.52 -1.26 -4.76 118.95 109.07 3ktj s ARG 170 Ca -0.13 -1.72 -0.36 0.00 -0.52 0.00 0.00 55.73 53.00 3ktj s ARG 170 Cb 0.16 -0.67 -0.14 0.00 0.52 0.00 0.00 34.95 34.82 3ktj s ARG 170 CO 0.76 -0.11 1.59 -0.25 0.02 0.00 0.00 175.30 177.31 3ktj n ASP 171 N -0.47 2.66 -3.95 0.23 8.00 -1.26 -4.73 116.55 117.03 3ktj n ASP 171 Ca -0.04 1.07 -0.31 0.00 0.71 0.00 0.00 54.79 56.22 3ktj n ASP 171 Cb 0.64 -1.31 -0.15 0.00 -0.02 0.00 0.00 41.12 40.28 3ktj n ASP 171 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3ktj s ASN 172 N 1.78 4.15 0.01 -2.24 3.04 -1.05 -5.05 114.94 115.58 3ktj s ASN 172 Ca 0.86 -1.47 -0.11 0.00 0.04 0.00 0.00 52.86 52.18 3ktj s ASN 172 Cb -0.81 -1.28 -0.05 0.00 -1.54 0.00 0.00 41.25 37.56 3ktj s ASN 172 CO 0.47 -0.28 0.35 -0.36 -3.04 0.00 0.00 177.10 174.24 3ktj s PHE 173 N 1.28 3.64 -0.03 0.43 0.08 -1.26 -1.96 117.98 120.16 3ktj s PHE 173 Ca -0.01 0.81 -0.05 0.00 0.12 0.00 0.00 56.93 57.81 3ktj s PHE 173 Cb -0.19 -2.16 0.01 0.00 -0.57 0.00 0.00 43.02 40.11 3ktj s PHE 173 CO -0.09 0.61 0.12 0.15 -0.10 0.00 0.00 175.22 175.91 3ktj s LYS 174 N -1.44 0.22 0.88 0.44 1.02 0.47 -5.01 119.74 116.32 3ktj s LYS 174 Ca 0.26 0.02 -0.13 0.00 0.02 0.00 0.00 55.97 56.14 3ktj s LYS 174 Cb -0.15 0.10 0.15 0.00 -0.52 0.00 0.00 37.83 37.41 3ktj s LYS 174 CO 0.14 -0.04 1.23 -1.54 -0.92 0.00 0.00 175.35 174.22 3ktj s SER 175 N -0.31 3.74 0.25 2.83 1.04 -1.26 0.02 113.70 120.01 3ktj s SER 175 Ca -0.04 0.35 -0.05 0.00 0.48 0.00 0.00 55.95 56.69 3ktj s SER 175 Cb -0.03 -0.59 0.31 0.00 0.10 0.00 0.00 66.02 65.81 3ktj s SER 175 CO 0.00 -2.34 1.89 0.00 0.98 0.00 0.00 173.24 173.78 3ktj h ALA 176 N -1.29 1.24 -0.11 5.32 0.00 -1.72 -0.62 119.26 122.08 3ktj h ALA 176 Ca -0.44 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3ktj h ALA 176 Cb 1.27 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3ktj h ALA 176 CO 0.47 0.47 0.01 0.93 0.00 0.00 0.00 179.25 181.13 3ktj h GLU 177 N 1.17 0.19 -0.07 0.00 3.07 -1.92 -2.08 114.58 114.94 3ktj h GLU 177 Ca 0.38 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 59.13 3ktj h GLU 177 Cb 0.02 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 3ktj h GLU 177 CO -0.13 0.42 -0.19 0.93 -1.40 0.00 0.00 179.01 178.64 3ktj h GLU 178 N -0.06 0.12 -0.69 2.33 5.08 -1.87 -0.89 114.58 118.60 3ktj h GLU 178 Ca 0.03 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 3ktj h GLU 178 Cb 0.33 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3ktj h GLU 178 CO 0.00 0.31 0.18 0.00 -1.00 0.00 0.00 179.01 178.51 3ktj h ALA 179 N 1.70 1.01 -0.37 3.43 0.00 -0.91 -0.10 119.26 124.02 3ktj h ALA 179 Ca 0.02 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 3ktj h ALA 179 Cb 0.41 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3ktj h ALA 179 CO 0.03 0.65 -0.32 1.25 0.00 0.00 0.00 179.25 180.86 3ktj h LEU 180 N 1.04 0.92 -1.82 0.00 5.85 -0.61 -1.41 115.31 119.27 3ktj h LEU 180 Ca 0.22 -0.45 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 3ktj h LEU 180 Cb 0.34 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 3ktj h LEU 180 CO -0.00 1.18 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.94 3ktj h GLU 181 N 0.67 0.00 0.00 1.25 5.08 -0.80 -2.32 114.58 118.46 3ktj h GLU 181 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3ktj h GLU 181 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3ktj h GLU 181 CO 0.08 0.01 -0.92 0.98 -1.00 0.00 0.00 179.01 178.16 3ktj n TYR 182 N -3.11 0.78 -0.43 4.33 9.36 -0.08 -4.97 117.16 123.03 3ktj n TYR 182 Ca -0.00 0.23 0.00 0.00 3.32 0.00 0.00 57.90 61.44 3ktj n TYR 182 Cb 0.25 -0.82 0.00 0.00 -0.63 0.00 0.00 39.34 38.14 3ktj n TYR 182 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3ktj n GLY 183 N 1.24 0.76 0.12 2.98 0.00 -0.73 -4.74 105.19 104.81 3ktj n GLY 183 Ca 0.01 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 3ktj n GLY 183 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ktj h LEU 184 N 0.00 0.57 -9.57 0.99 3.38 -1.54 -3.37 115.31 105.77 3ktj h LEU 184 Ca 0.00 -0.64 -0.61 0.00 0.09 0.00 0.00 57.88 56.72 3ktj h LEU 184 Cb 0.00 -0.19 -0.12 0.00 0.09 0.00 0.00 40.66 40.44 3ktj h LEU 184 CO 0.00 1.51 -0.63 0.27 0.09 0.00 0.00 178.44 179.68 3ktj s ILE 185 N -2.63 2.30 -0.19 1.22 -4.36 -1.23 -4.00 121.20 112.32 3ktj s ILE 185 Ca -0.07 -2.05 -0.03 0.00 -0.26 0.00 0.00 60.65 58.24 3ktj s ILE 185 Cb 0.06 -2.80 -0.10 0.00 1.25 0.00 0.00 42.46 40.87 3ktj s ILE 185 CO 0.90 -0.14 -0.20 0.47 0.24 0.00 0.00 174.94 176.22 3ktj n ASP 186 N -0.92 2.09 -4.15 4.36 8.00 0.34 -4.61 116.55 121.66 3ktj n ASP 186 Ca -0.04 0.04 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 3ktj n ASP 186 Cb 0.64 -0.40 -0.10 0.00 -0.02 0.00 0.00 41.12 41.24 3ktj n ASP 186 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3ktj s LYS 187 N -2.36 0.79 -0.34 -1.24 2.20 -0.95 -5.03 119.74 112.81 3ktj s LYS 187 Ca -0.25 -1.31 0.03 0.00 -0.36 0.00 0.00 55.97 54.08 3ktj s LYS 187 Cb 0.08 -0.11 0.10 0.00 -1.51 0.00 0.00 37.83 36.39 3ktj s LYS 187 CO 0.38 -0.04 0.05 0.42 -0.36 0.00 0.00 175.35 175.80 3ktj s ILE 188 N -3.69 2.35 0.19 5.43 1.01 -1.26 -2.99 121.20 122.24 3ktj s ILE 188 Ca 0.11 -2.28 -0.32 0.00 0.00 0.00 0.00 60.65 58.16 3ktj s ILE 188 Cb 0.06 -2.71 -0.11 0.00 0.01 0.00 0.00 42.46 39.71 3ktj s ILE 188 CO -0.06 -0.57 1.67 -0.76 0.00 0.00 0.00 174.94 175.22 3ktj s LEU 189 N 0.93 4.37 0.00 2.97 1.43 -1.09 -4.92 118.68 122.37 3ktj s LEU 189 Ca 0.09 2.76 0.00 0.00 -1.03 0.00 0.00 54.13 55.96 3ktj s LEU 189 Cb -0.19 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.43 3ktj s LEU 189 CO -0.07 -0.92 0.00 0.35 0.23 0.00 0.00 176.35 175.94 3ktj n THR 190 N 4.02 0.00 0.00 5.49 -2.24 -1.26 -4.21 114.28 116.09 3ktj n THR 190 Ca 0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 3ktj n THR 190 Cb 0.37 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 3ktj n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50