#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 0.76 0.05 5.18 6.09 -2.06 -1.85 117.51 125.68 3ktj h ILE 19 Ca 0.00 0.00 -0.24 0.00 -1.37 0.00 0.00 64.86 63.25 3ktj h ILE 19 Cb 0.00 1.00 -0.02 0.00 0.47 0.00 0.00 36.82 38.27 3ktj h ILE 19 CO 0.00 0.00 -1.11 1.88 -3.07 0.00 0.00 178.15 175.85 3ktj h TYR 20 N 0.00 0.18 -0.02 2.19 0.05 -1.99 -2.94 116.97 114.44 3ktj h TYR 20 Ca 0.00 -0.13 -0.07 0.00 0.05 0.00 0.00 58.73 58.59 3ktj h TYR 20 Cb 0.00 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 3ktj h TYR 20 CO 0.00 1.10 -0.30 0.77 -1.05 0.00 0.00 178.16 178.69 3ktj h SER 21 N 0.03 0.04 -0.18 3.88 0.02 -1.76 -1.42 113.55 114.15 3ktj h SER 21 Ca -0.06 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 3ktj h SER 21 Cb 1.85 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 64.38 3ktj h SER 21 CO 0.15 0.33 -0.18 -0.09 -1.14 0.00 0.00 176.83 175.91 3ktj h ARG 22 N 0.03 0.44 0.00 3.45 9.65 -1.43 -2.88 114.38 123.65 3ktj h ARG 22 Ca 0.00 -0.23 0.00 0.00 -1.10 0.00 0.00 59.98 58.65 3ktj h ARG 22 Cb 0.54 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 3ktj h ARG 22 CO 0.04 0.80 0.00 -0.07 2.80 0.00 0.00 179.97 183.54 3ktj h LEU 23 N 0.10 0.00 -0.07 3.80 3.38 -1.29 -2.76 115.31 118.47 3ktj h LEU 23 Ca 0.03 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.77 3ktj h LEU 23 Cb 0.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3ktj h LEU 23 CO 0.04 0.00 -1.05 0.25 0.09 0.00 0.00 178.44 177.78 3ktj h LEU 24 N 0.00 0.31 -0.93 1.67 5.85 -1.06 -2.52 115.31 118.63 3ktj h LEU 24 Ca 0.00 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3ktj h LEU 24 Cb 0.43 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3ktj h LEU 24 CO 0.00 1.16 0.00 0.29 -0.34 0.00 0.00 178.44 179.55 3ktj n LYS 25 N -3.57 0.12 -0.33 1.25 4.01 -1.04 -1.22 118.16 117.38 3ktj n LYS 25 Ca -0.05 0.54 0.09 0.00 -0.51 0.00 0.00 58.31 58.37 3ktj n LYS 25 Cb 0.92 -1.84 0.22 0.00 -0.51 0.00 0.00 35.03 33.82 3ktj n LYS 25 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3ktj n ASP 26 N -2.09 3.42 -2.76 4.39 9.92 -1.14 -5.01 116.55 123.29 3ktj n ASP 26 Ca 0.00 -2.99 -0.07 0.00 -0.53 0.00 0.00 54.79 51.20 3ktj n ASP 26 Cb 0.09 -0.50 0.03 0.00 -0.64 0.00 0.00 41.12 40.10 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 -0.73 -1.41 -3.52 -1.24 1.74 -0.36 -4.93 116.66 106.21 3ktj n ARG 27 Ca 0.19 0.89 -0.22 0.00 -0.77 0.00 0.00 57.85 57.94 3ktj n ARG 27 Cb 0.80 -4.73 -0.14 0.00 -1.02 0.00 0.00 32.46 27.37 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 -3.18 -0.23 0.08 0.55 1.01 -0.96 -2.10 121.20 116.37 3ktj s ILE 28 Ca 0.21 -0.29 -0.11 0.00 0.00 0.00 0.00 60.65 60.47 3ktj s ILE 28 Cb -0.03 -0.74 -0.06 0.00 0.01 0.00 0.00 42.46 41.64 3ktj s ILE 28 CO 0.56 -0.35 0.42 -0.63 0.00 0.00 0.00 174.94 174.94 3ktj s ILE 29 N 2.25 5.06 -0.24 2.92 1.01 0.43 -4.25 121.20 128.39 3ktj s ILE 29 Ca 0.06 0.52 0.02 0.00 0.00 0.00 0.00 60.65 61.25 3ktj s ILE 29 Cb -0.16 -3.66 0.06 0.00 0.01 0.00 0.00 42.46 38.71 3ktj s ILE 29 CO -0.18 0.30 -0.08 -0.04 0.00 0.00 0.00 174.94 174.93 3ktj s MET 30 N -1.87 1.94 -0.50 2.79 -1.94 -1.26 -1.48 119.30 116.98 3ktj s MET 30 Ca 0.33 -1.10 -0.14 0.00 -1.71 0.00 0.00 55.69 53.07 3ktj s MET 30 Cb -0.14 -2.68 0.11 0.00 2.01 0.00 0.00 34.83 34.13 3ktj s MET 30 CO 0.18 -0.56 0.42 -1.17 -0.01 0.00 0.00 175.02 173.88 3ktj s LEU 31 N 1.28 5.84 -0.20 -0.03 2.96 -0.51 -4.93 118.68 123.09 3ktj s LEU 31 Ca -0.06 -1.64 0.20 0.00 -0.22 0.00 0.00 54.13 52.40 3ktj s LEU 31 Cb -0.19 -2.15 0.48 0.00 0.50 0.00 0.00 46.19 44.83 3ktj s LEU 31 CO -0.06 -0.74 1.15 0.61 -1.32 0.00 0.00 176.35 175.99 3ktj n GLY 32 N 5.15 2.75 3.38 7.98 0.00 -1.26 -1.57 105.19 121.62 3ktj n GLY 32 Ca -0.12 -1.34 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.32 0.04 0.53 1.61 1.04 -1.24 -4.84 113.70 107.51 3ktj s SER 33 Ca 0.34 -1.11 -0.22 0.00 0.48 0.00 0.00 55.95 55.44 3ktj s SER 33 Cb 0.36 0.47 -0.06 0.00 0.10 0.00 0.00 66.02 66.89 3ktj s SER 33 CO -0.06 -0.97 1.17 0.00 0.98 0.00 0.00 173.24 174.37 3ktj n ALA 34 N -0.30 0.89 -2.57 5.32 0.00 -1.26 -4.64 120.51 117.95 3ktj n ALA 34 Ca -0.01 0.12 -0.42 0.00 0.00 0.00 0.00 53.44 53.13 3ktj n ALA 34 Cb 0.64 -2.23 -0.06 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 -1.34 4.83 0.30 0.00 1.01 0.87 -4.87 121.20 121.99 3ktj s ILE 35 Ca 0.70 0.60 0.03 0.00 0.00 0.00 0.00 60.65 61.98 3ktj s ILE 35 Cb -0.45 -4.14 -0.06 0.00 0.01 0.00 0.00 42.46 37.82 3ktj s ILE 35 CO 0.51 -0.40 0.07 1.51 0.00 0.00 0.00 174.94 176.63 3ktj s ASP 36 N 1.85 1.90 0.24 3.58 -4.77 -1.26 -1.48 116.67 116.72 3ktj s ASP 36 Ca 0.26 -1.37 -0.06 0.00 -3.30 0.00 0.00 52.55 48.08 3ktj s ASP 36 Cb -0.14 0.01 0.42 0.00 -1.09 0.00 0.00 42.92 42.13 3ktj s ASP 36 CO 0.16 -0.65 1.68 0.44 0.70 0.00 0.00 175.17 177.50 3ktj h ASP 37 N 2.23 -0.07 -0.73 2.11 3.45 -1.95 -1.85 116.42 119.61 3ktj h ASP 37 Ca -0.40 0.15 0.15 0.00 0.43 0.00 0.00 57.03 57.37 3ktj h ASP 37 Cb 1.24 0.22 -0.10 0.00 -0.56 0.00 0.00 39.33 40.13 3ktj h ASP 37 CO 0.66 -0.06 0.20 0.78 -1.57 0.00 0.00 179.24 179.25 3ktj h ASN 38 N 0.23 0.08 0.15 6.45 2.35 -1.98 -1.57 115.58 121.28 3ktj h ASN 38 Ca 0.39 0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 56.27 3ktj h ASN 38 Cb 0.67 0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.20 3ktj h ASN 38 CO -0.52 -0.00 -0.07 0.58 -1.65 0.00 0.00 177.43 175.77 3ktj h VAL 39 N 0.31 1.01 -0.78 2.81 2.07 -1.69 -3.14 116.25 116.83 3ktj h VAL 39 Ca 0.41 -0.94 0.13 0.00 0.82 0.00 0.00 66.70 67.13 3ktj h VAL 39 Cb 0.68 1.56 -0.14 0.00 -1.52 0.00 0.00 31.29 31.87 3ktj h VAL 39 CO -0.48 0.21 -0.33 0.00 0.02 0.00 0.00 177.57 176.99 3ktj h ALA 40 N 0.07 0.13 -0.50 1.67 0.00 -0.83 -0.33 119.26 119.46 3ktj h ALA 40 Ca -0.02 0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3ktj h ALA 40 Cb 0.49 0.84 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 3ktj h ALA 40 CO 0.03 -0.61 0.31 -0.91 0.00 0.00 0.00 179.25 178.07 3ktj h ASN 41 N -0.08 0.51 -0.37 0.00 2.35 -1.39 -2.19 115.58 114.40 3ktj h ASN 41 Ca 0.30 -0.00 0.03 0.00 -0.55 0.00 0.00 56.30 56.08 3ktj h ASN 41 Cb 0.58 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.81 3ktj h ASN 41 CO -0.82 0.36 0.18 -1.28 -1.65 0.00 0.00 177.43 174.22 3ktj h SER 42 N 0.62 0.26 0.86 5.81 0.87 -1.04 -1.45 113.55 119.48 3ktj h SER 42 Ca 0.20 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.75 3ktj h SER 42 Cb -0.00 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 3ktj h SER 42 CO -0.08 0.19 -0.14 0.40 -0.53 0.00 0.00 176.83 176.68 3ktj h ILE 43 N 0.37 0.37 0.03 2.23 2.04 -1.18 -2.74 117.51 118.63 3ktj h ILE 43 Ca 0.16 -0.83 -0.14 0.00 1.00 0.00 0.00 64.86 65.05 3ktj h ILE 43 Cb 0.08 1.61 0.01 0.00 -0.74 0.00 0.00 36.82 37.78 3ktj h ILE 43 CO -0.12 0.13 -0.56 0.58 0.00 0.00 0.00 178.15 178.19 3ktj h VAL 44 N 0.00 1.48 0.00 1.67 2.07 -0.74 -2.96 116.25 117.78 3ktj h VAL 44 Ca -0.00 -2.17 -0.02 0.00 0.82 0.00 0.00 66.70 65.32 3ktj h VAL 44 Cb 0.60 2.80 -0.00 0.00 -1.52 0.00 0.00 31.29 33.17 3ktj h VAL 44 CO 0.02 0.62 -0.12 0.77 0.02 0.00 0.00 177.57 178.88 3ktj h SER 45 N -0.28 0.00 0.10 0.57 4.64 -1.15 -2.65 113.55 114.78 3ktj h SER 45 Ca -0.08 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3ktj h SER 45 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3ktj h SER 45 CO 0.11 0.12 -0.05 1.56 -0.87 0.00 0.00 176.83 177.70 3ktj h GLN 46 N 0.00 -0.13 -0.34 4.77 4.20 -1.50 -1.77 115.11 120.35 3ktj h GLN 46 Ca -0.00 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.82 3ktj h GLN 46 Cb 0.32 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 3ktj h GLN 46 CO 0.02 0.37 0.28 -0.07 -0.67 0.00 0.00 178.83 178.76 3ktj h LEU 47 N -0.73 0.00 0.09 1.46 3.38 -1.34 -1.06 115.31 117.10 3ktj h LEU 47 Ca -0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 3ktj h LEU 47 Cb 0.56 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.32 3ktj h LEU 47 CO 0.02 0.00 -0.75 -0.07 0.09 0.00 0.00 178.44 177.73 3ktj h LEU 48 N 0.00 0.51 -0.65 1.67 3.38 -1.45 -3.00 115.31 115.77 3ktj h LEU 48 Ca 0.16 -0.87 0.06 0.00 0.09 0.00 0.00 57.88 57.32 3ktj h LEU 48 Cb 0.72 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 3ktj h LEU 48 CO -0.00 1.33 0.36 0.15 0.09 0.00 0.00 178.44 180.37 3ktj h PHE 49 N -0.24 0.65 -0.08 1.13 3.57 -0.29 -2.81 116.94 118.88 3ktj h PHE 49 Ca -0.12 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.38 3ktj h PHE 49 Cb 1.53 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 40.07 3ktj h PHE 49 CO 0.17 0.31 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.42 3ktj h LEU 50 N 0.66 0.20 -1.95 0.59 3.38 -1.51 -2.91 115.31 113.75 3ktj h LEU 50 Ca 0.29 -0.48 0.29 0.00 0.09 0.00 0.00 57.88 58.07 3ktj h LEU 50 Cb 0.19 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3ktj h LEU 50 CO -0.18 0.63 0.72 0.00 0.09 0.00 0.00 178.44 179.70 3ktj h ALA 51 N 0.57 2.90 0.03 1.53 0.00 -1.40 0.37 119.26 123.26 3ktj h ALA 51 Ca 0.01 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 3ktj h ALA 51 Cb 0.58 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3ktj h ALA 51 CO 0.02 -1.20 -0.97 0.00 0.00 0.00 0.00 179.25 177.11 3ktj h ALA 52 N 1.50 0.41 0.00 0.00 0.00 -1.36 -3.00 119.26 116.82 3ktj h ALA 52 Ca 0.49 -0.78 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 3ktj h ALA 52 Cb 1.89 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 3ktj h ALA 52 CO -0.02 0.98 -0.30 0.93 0.00 0.00 0.00 179.25 180.83 3ktj h GLU 53 N 0.09 0.00 -0.06 0.00 4.39 -0.09 -3.43 114.58 115.48 3ktj h GLU 53 Ca -0.06 0.00 0.28 0.00 0.34 0.00 0.00 59.36 59.92 3ktj h GLU 53 Cb 1.64 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 30.09 3ktj h GLU 53 CO 0.15 0.30 0.17 0.34 -1.16 0.00 0.00 179.01 178.81 3ktj s ASP 54 N -6.62 -0.09 0.00 1.42 2.15 -1.00 -5.02 116.67 107.50 3ktj s ASP 54 Ca -0.02 0.03 0.00 0.00 0.43 0.00 0.00 52.55 52.99 3ktj s ASP 54 Cb 0.13 1.06 0.00 0.00 -0.30 0.00 0.00 42.92 43.82 3ktj s ASP 54 CO 0.68 -0.02 0.25 -0.81 -0.17 0.00 0.00 175.17 175.10 3ktj n PRO 55 N 5.23 0.48 0.05 4.34 -0.04 -1.13 -3.57 135.00 140.34 3ktj n PRO 55 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 3ktj n PRO 55 Cb 0.57 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 0.23 0.00 -1.63 0.54 -0.58 -1.26 -4.12 120.64 113.82 3ktj n GLU 56 Ca 0.00 0.00 -0.48 0.00 -0.42 0.00 0.00 57.16 56.26 3ktj n GLU 56 Cb 0.11 -0.50 -0.04 0.00 -0.57 0.00 0.00 31.44 30.45 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 -3.45 1.61 -1.53 3.49 4.76 -1.23 -4.72 118.16 117.08 3ktj n LYS 57 Ca 0.00 0.58 -0.30 0.00 -2.87 0.00 0.00 58.31 55.72 3ktj n LYS 57 Cb 0.05 -2.20 0.09 0.00 -1.84 0.00 0.00 35.03 31.13 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 0.03 2.08 0.23 1.97 -1.05 -1.26 -4.77 118.70 115.94 3ktj s GLU 58 Ca 0.75 0.68 0.11 0.00 -0.15 0.00 0.00 54.97 56.36 3ktj s GLU 58 Cb -0.78 -1.91 -0.05 0.00 -0.44 0.00 0.00 34.13 30.95 3ktj s GLU 58 CO 0.48 -1.64 -0.21 0.42 0.95 0.00 0.00 175.26 175.26 3ktj s ILE 59 N -3.13 2.32 -0.05 1.83 1.01 -0.90 -4.90 121.20 117.38 3ktj s ILE 59 Ca 0.61 -2.22 0.02 0.00 0.00 0.00 0.00 60.65 59.05 3ktj s ILE 59 Cb -0.15 -2.18 0.02 0.00 0.01 0.00 0.00 42.46 40.16 3ktj s ILE 59 CO 0.54 -0.31 -0.07 -0.44 0.00 0.00 0.00 174.94 174.66 3ktj s SER 60 N -3.13 1.20 -0.27 3.58 0.01 -0.89 -2.14 113.70 112.05 3ktj s SER 60 Ca 0.25 -0.18 -0.02 0.00 1.31 0.00 0.00 55.95 57.30 3ktj s SER 60 Cb -0.06 -0.54 0.03 0.00 0.21 0.00 0.00 66.02 65.67 3ktj s SER 60 CO 0.12 -0.01 -0.02 -0.22 0.41 0.00 0.00 173.24 173.52 3ktj s LEU 61 N 0.72 3.53 -0.12 2.44 2.96 -0.34 -0.43 118.68 127.44 3ktj s LEU 61 Ca -0.11 -0.99 -0.18 0.00 -0.22 0.00 0.00 54.13 52.62 3ktj s LEU 61 Cb -0.14 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 3ktj s LEU 61 CO 0.01 -0.18 0.49 -0.31 -1.32 0.00 0.00 176.35 175.04 3ktj s TYR 62 N 1.33 3.50 -0.07 5.38 2.02 -0.55 -2.33 117.35 126.63 3ktj s TYR 62 Ca -0.01 0.89 0.04 0.00 -0.37 0.00 0.00 57.07 57.62 3ktj s TYR 62 Cb -0.18 -2.57 -0.01 0.00 -0.40 0.00 0.00 41.96 38.80 3ktj s TYR 62 CO -0.02 0.14 -0.20 0.42 -1.57 0.00 0.00 175.55 174.31 3ktj s ILE 63 N 0.72 2.46 -0.43 2.71 1.01 0.23 -1.43 121.20 126.47 3ktj s ILE 63 Ca 0.26 -0.92 0.06 0.00 0.00 0.00 0.00 60.65 60.06 3ktj s ILE 63 Cb -0.15 -1.94 0.18 0.00 0.01 0.00 0.00 42.46 40.55 3ktj s ILE 63 CO 0.11 0.57 0.56 0.21 0.00 0.00 0.00 174.94 176.39 3ktj s ASN 64 N -0.18 -0.52 0.06 3.58 2.47 -0.61 -0.83 114.94 118.91 3ktj s ASN 64 Ca -0.02 -1.51 -0.10 0.00 0.42 0.00 0.00 52.86 51.65 3ktj s ASN 64 Cb -0.14 1.34 0.00 0.00 -1.45 0.00 0.00 41.25 41.01 3ktj s ASN 64 CO 0.03 -0.16 0.21 -0.55 -3.72 0.00 0.00 177.10 172.92 3ktj s SER 65 N 1.26 0.04 0.00 -4.21 0.15 0.08 -3.65 113.70 107.37 3ktj s SER 65 Ca 0.22 -0.45 0.25 0.00 0.70 0.00 0.00 55.95 56.67 3ktj s SER 65 Cb -0.05 0.32 0.82 0.00 -1.71 0.00 0.00 66.02 65.40 3ktj s SER 65 CO -0.06 -0.63 1.61 -0.81 1.20 0.00 0.00 173.24 174.54 3ktj n PRO 66 N 0.40 1.80 0.00 5.44 -0.04 -1.26 -1.76 135.00 139.58 3ktj n PRO 66 Ca -0.17 -1.18 0.00 0.00 -0.04 0.00 0.00 63.50 62.11 3ktj n PRO 66 Cb 0.60 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 3ktj n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ktj n GLY 67 N 1.19 0.21 0.00 0.55 0.00 -0.99 -4.50 105.19 101.66 3ktj n GLY 67 Ca 0.17 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 0.45 3.70 -0.02 0.00 -1.26 -0.09 105.19 107.97 3ktj n GLY 68 Ca 0.00 -1.37 -0.44 0.00 0.00 0.00 0.00 46.02 44.21 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 3.51 -0.07 1.61 2.88 -0.55 -4.81 113.62 116.18 3ktj n SER 69 Ca 0.00 1.10 -0.11 0.00 -1.33 0.00 0.00 58.87 58.53 3ktj n SER 69 Cb 0.00 -1.51 -0.04 0.00 -0.75 0.00 0.00 64.21 61.91 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 3.55 1.22 -0.58 2.46 2.04 -1.99 -2.80 117.51 121.42 3ktj h ILE 70 Ca -0.45 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 64.67 3ktj h ILE 70 Cb 1.23 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 3ktj h ILE 70 CO 0.88 0.23 0.29 0.71 0.00 0.00 0.00 178.15 180.26 3ktj h THR 71 N 0.19 1.18 -0.57 -0.27 1.35 -1.99 -2.62 112.91 110.18 3ktj h THR 71 Ca 0.07 -0.50 -0.10 0.00 -0.55 0.00 0.00 66.41 65.34 3ktj h THR 71 Cb 0.31 0.43 -0.02 0.00 -1.73 0.00 0.00 68.15 67.14 3ktj h THR 71 CO 0.00 0.21 -0.02 0.00 -0.25 0.00 0.00 175.52 175.47 3ktj h ALA 72 N 1.52 0.77 0.00 6.62 0.00 -1.88 -2.88 119.26 123.41 3ktj h ALA 72 Ca 0.20 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3ktj h ALA 72 Cb 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3ktj h ALA 72 CO -0.03 0.61 -0.56 0.78 0.00 0.00 0.00 179.25 180.05 3ktj h GLY 73 N 0.90 0.00 1.74 0.00 0.00 -1.34 -2.97 103.07 101.41 3ktj h GLY 73 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.38 3ktj h GLY 73 CO 0.03 0.00 -0.40 -0.33 0.00 0.00 0.00 176.54 175.84 3ktj h MET 74 N 0.00 0.29 0.17 4.80 2.86 -1.37 0.29 114.93 121.98 3ktj h MET 74 Ca -0.01 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 3ktj h MET 74 Cb 1.20 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 3ktj h MET 74 CO 0.07 0.65 -0.15 0.00 1.06 0.00 0.00 176.91 178.54 3ktj h ALA 75 N 1.34 -0.32 0.21 6.32 0.00 -1.34 0.26 119.26 125.73 3ktj h ALA 75 Ca 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ktj h ALA 75 Cb 0.82 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3ktj h ALA 75 CO 0.06 -0.70 -0.16 0.82 0.00 0.00 0.00 179.25 179.28 3ktj h ILE 76 N -0.34 0.65 -0.59 0.00 2.04 -1.45 -2.24 117.51 115.58 3ktj h ILE 76 Ca -0.00 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.03 3ktj h ILE 76 Cb 0.32 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3ktj h ILE 76 CO -0.03 0.00 0.44 0.22 0.00 0.00 0.00 178.15 178.79 3ktj h TYR 77 N -0.38 0.00 0.00 1.37 3.20 -0.21 -1.43 116.97 119.52 3ktj h TYR 77 Ca -0.01 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.75 3ktj h TYR 77 Cb 0.34 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 3ktj h TYR 77 CO -0.11 0.00 -0.57 -0.44 -1.64 0.00 0.00 178.16 175.40 3ktj h ASP 78 N 0.00 0.00 1.23 -2.11 3.45 -0.34 -3.30 116.42 115.35 3ktj h ASP 78 Ca 0.28 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.63 3ktj h ASP 78 Cb 1.16 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.91 3ktj h ASP 78 CO -0.00 0.51 -0.81 0.74 -1.57 0.00 0.00 179.24 178.11 3ktj h THR 79 N 0.00 0.60 -0.07 0.35 2.02 -1.02 -2.86 112.91 111.94 3ktj h THR 79 Ca -0.02 -1.95 -0.08 0.00 0.77 0.00 0.00 66.41 65.14 3ktj h THR 79 Cb 1.40 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 69.98 3ktj h THR 79 CO 0.06 0.34 -0.33 0.24 0.37 0.00 0.00 175.52 176.21 3ktj h MET 80 N 0.00 0.13 0.07 6.66 2.86 -1.57 -3.00 114.93 120.09 3ktj h MET 80 Ca -0.06 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.42 3ktj h MET 80 Cb 1.39 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 33.05 3ktj h MET 80 CO 0.05 0.45 -0.50 1.96 1.06 0.00 0.00 176.91 179.93 3ktj h GLN 81 N 0.12 0.21 0.10 1.72 1.08 -1.63 -3.38 115.11 113.32 3ktj h GLN 81 Ca 0.02 -0.32 0.02 0.00 -1.45 0.00 0.00 58.65 56.91 3ktj h GLN 81 Cb 0.64 0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 28.16 3ktj h GLN 81 CO 0.05 1.12 -0.21 0.35 -0.95 0.00 0.00 178.83 179.19 3ktj h PHE 82 N -0.53 -0.55 -4.05 2.96 3.57 -1.48 -3.45 116.94 113.41 3ktj h PHE 82 Ca -0.08 0.01 -0.55 0.00 3.53 0.00 0.00 57.97 60.88 3ktj h PHE 82 Cb 1.35 0.23 0.14 0.00 2.79 0.00 0.00 35.95 40.46 3ktj h PHE 82 CO 0.21 -0.30 0.60 0.96 -2.23 0.00 0.00 178.31 177.56 3ktj s ILE 83 N -6.10 2.08 0.06 1.41 -4.36 -1.14 -4.98 121.20 108.17 3ktj s ILE 83 Ca -0.15 0.06 -0.31 0.00 -0.26 0.00 0.00 60.65 59.99 3ktj s ILE 83 Cb 0.08 -3.03 -0.18 0.00 1.25 0.00 0.00 42.46 40.58 3ktj s ILE 83 CO 0.66 -0.00 1.55 0.11 0.24 0.00 0.00 174.94 177.49 3ktj h LYS 84 N 1.42 -0.79 -6.44 0.37 1.57 -1.88 -3.45 116.57 107.37 3ktj h LYS 84 Ca -0.51 0.05 -0.61 0.00 -1.87 0.00 0.00 60.65 57.72 3ktj h LYS 84 Cb 1.30 0.18 0.06 0.00 0.08 0.00 0.00 32.23 33.85 3ktj h LYS 84 CO 0.57 -0.50 0.71 -2.30 -0.57 0.00 0.00 179.45 177.36 3ktj n PRO 85 N -5.42 1.89 -1.77 3.15 -0.02 -1.26 -4.93 135.00 126.65 3ktj n PRO 85 Ca -0.13 0.68 -0.41 0.00 -2.02 0.00 0.00 63.50 61.62 3ktj n PRO 85 Cb 0.34 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3ktj n PRO 85 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3ktj n LYS 86 N 3.20 2.57 -4.08 -0.52 5.02 -1.26 -4.78 118.16 118.31 3ktj n LYS 86 Ca 0.17 0.90 -0.35 0.00 -2.02 0.00 0.00 58.31 57.02 3ktj n LYS 86 Cb 0.26 -2.63 -0.14 0.00 -0.02 0.00 0.00 35.03 32.51 3ktj n LYS 86 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ktj s VAL 87 N -1.13 3.44 0.07 -0.18 1.01 -1.26 -2.12 120.40 120.24 3ktj s VAL 87 Ca 0.54 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 62.08 3ktj s VAL 87 Cb -0.48 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 3ktj s VAL 87 CO 0.63 0.44 0.04 -0.94 0.00 0.00 0.00 175.10 175.27 3ktj s SER 88 N 1.19 5.30 0.14 3.32 1.04 -0.91 -1.43 113.70 122.35 3ktj s SER 88 Ca 0.02 -0.07 0.10 0.00 0.48 0.00 0.00 55.95 56.49 3ktj s SER 88 Cb -0.14 -1.36 -0.04 0.00 0.10 0.00 0.00 66.02 64.57 3ktj s SER 88 CO -0.01 0.19 -0.23 0.42 0.98 0.00 0.00 173.24 174.59 3ktj s THR 89 N -1.33 2.51 -0.08 2.02 -4.23 -0.83 -1.20 115.64 112.50 3ktj s THR 89 Ca 0.27 -1.70 -0.02 0.00 -1.18 0.00 0.00 61.69 59.06 3ktj s THR 89 Cb -0.12 -2.14 0.03 0.00 1.34 0.00 0.00 72.50 71.61 3ktj s THR 89 CO 0.19 0.06 0.02 -0.63 -0.54 0.00 0.00 174.62 173.72 3ktj s ILE 90 N -1.19 0.27 -0.25 2.99 1.09 -0.98 -0.31 121.20 122.82 3ktj s ILE 90 Ca 0.17 0.13 -0.24 0.00 -1.10 0.00 0.00 60.65 59.61 3ktj s ILE 90 Cb -0.10 -0.49 -0.01 0.00 -1.06 0.00 0.00 42.46 40.80 3ktj s ILE 90 CO 0.08 0.19 0.79 0.00 -0.10 0.00 0.00 174.94 175.90 3ktj s ILE 92 N 2.78 1.53 0.00 0.00 2.07 -0.01 -2.44 121.20 125.13 3ktj s ILE 92 Ca 0.33 -1.23 0.00 0.00 -1.41 0.00 0.00 60.65 58.34 3ktj s ILE 92 Cb -0.15 -1.80 0.00 0.00 0.13 0.00 0.00 42.46 40.64 3ktj s ILE 92 CO 0.08 -0.11 0.00 0.61 -1.91 0.00 0.00 174.94 173.61 3ktj n GLY 93 N 4.67 1.60 3.11 1.50 0.00 -1.26 -4.04 105.19 110.77 3ktj n GLY 93 Ca -0.12 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 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 0.27 -0.40 1.61 -2.45 -1.26 -2.22 119.30 114.85 3ktj s MET 94 Ca 0.00 0.35 0.01 0.00 -1.25 0.00 0.00 55.69 54.80 3ktj s MET 94 Cb 0.00 0.11 0.13 0.00 1.25 0.00 0.00 34.83 36.32 3ktj s MET 94 CO 0.00 -0.05 0.22 0.00 1.05 0.00 0.00 175.02 176.24 3ktj s ALA 95 N 0.23 1.71 0.03 4.11 0.00 -0.72 -0.74 121.76 126.38 3ktj s ALA 95 Ca -0.01 -2.29 0.06 0.00 0.00 0.00 0.00 51.96 49.72 3ktj s ALA 95 Cb -0.02 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 3ktj s ALA 95 CO -0.01 -2.05 -0.14 0.00 0.00 0.00 0.00 175.76 173.56 3ktj s ALA 96 N 0.68 2.74 0.00 0.00 0.00 -0.72 -2.48 121.76 121.99 3ktj s ALA 96 Ca 0.17 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.99 3ktj s ALA 96 Cb -0.24 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.02 3ktj s ALA 96 CO -0.01 0.59 0.00 0.45 0.00 0.00 0.00 175.76 176.79 3ktj n SER 97 N 1.52 0.00 -0.27 0.00 2.88 -0.08 -1.28 113.62 116.39 3ktj n SER 97 Ca -0.16 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.57 3ktj n SER 97 Cb 0.52 0.00 0.48 0.00 -0.75 0.00 0.00 64.21 64.46 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 0.46 -0.51 -1.46 2.07 -1.87 0.19 114.93 113.81 3ktj h MET 98 Ca 0.00 -0.03 0.02 0.00 -2.07 0.00 0.00 59.70 57.62 3ktj h MET 98 Cb 0.00 -0.10 -0.03 0.00 -1.87 0.00 0.00 31.60 29.60 3ktj h MET 98 CO 0.00 0.30 0.31 0.78 1.07 0.00 0.00 176.91 179.38 3ktj h GLY 99 N 0.47 0.71 2.00 8.32 0.00 -1.49 0.15 103.07 113.24 3ktj h GLY 99 Ca 0.50 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.51 3ktj h GLY 99 CO -0.22 0.21 -0.38 0.00 0.00 0.00 0.00 176.54 176.15 3ktj h ALA 100 N 1.21 1.08 -0.31 3.60 0.00 -0.75 -2.57 119.26 121.53 3ktj h ALA 100 Ca 0.20 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3ktj h ALA 100 Cb -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3ktj h ALA 100 CO -0.08 0.48 0.05 0.35 0.00 0.00 0.00 179.25 180.05 3ktj h PHE 101 N 0.00 0.55 -0.75 0.00 3.57 0.92 -2.70 116.94 118.53 3ktj h PHE 101 Ca -0.00 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.38 3ktj h PHE 101 Cb 0.83 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 3ktj h PHE 101 CO 0.00 0.60 0.33 -0.07 -2.23 0.00 0.00 178.31 176.94 3ktj h LEU 102 N 0.34 1.02 -0.21 0.59 3.38 -0.55 -1.83 115.31 118.05 3ktj h LEU 102 Ca 0.09 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.95 3ktj h LEU 102 Cb 0.35 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3ktj h LEU 102 CO 0.01 0.90 -0.09 0.25 0.09 0.00 0.00 178.44 179.59 3ktj h LEU 103 N 1.08 -0.32 -1.43 1.67 5.85 -1.30 -0.88 115.31 119.99 3ktj h LEU 103 Ca 0.25 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 59.00 3ktj h LEU 103 Cb 0.17 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3ktj h LEU 103 CO -0.03 -0.12 -0.18 0.00 -0.34 0.00 0.00 178.44 177.77 3ktj h ALA 104 N 1.13 1.53 0.00 1.25 0.00 -1.33 -2.50 119.26 119.33 3ktj h ALA 104 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3ktj h ALA 104 Cb 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ktj h ALA 104 CO -0.26 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.34 3ktj h ALA 105 N 1.68 1.00 -2.35 0.00 0.00 -0.28 -3.45 119.26 115.86 3ktj h ALA 105 Ca 0.03 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.42 3ktj h ALA 105 Cb 0.41 0.00 0.16 0.00 0.00 0.00 0.00 17.79 18.36 3ktj h ALA 105 CO 0.03 0.00 0.29 0.20 0.00 0.00 0.00 179.25 179.77 3ktj s GLY 106 N -3.80 1.80 0.06 0.00 0.00 -0.94 -4.92 107.32 99.51 3ktj s GLY 106 Ca -0.03 0.49 -0.38 0.00 0.00 0.00 0.00 44.72 44.81 3ktj s GLY 106 CO 0.31 0.88 1.22 -2.21 0.00 0.00 0.00 173.10 173.30 3ktj n GLU 107 N -3.61 0.71 -1.69 2.90 4.07 -0.51 -4.84 120.64 117.67 3ktj n GLU 107 Ca 0.11 0.26 -0.44 0.00 -0.06 0.00 0.00 57.16 57.03 3ktj n GLU 107 Cb 0.52 -1.83 -0.03 0.00 -0.06 0.00 0.00 31.44 30.04 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 2.09 2.63 -0.06 5.31 3.00 -1.26 -1.02 118.16 128.86 3ktj n LYS 108 Ca 0.19 0.96 0.00 0.00 -0.00 0.00 0.00 58.31 59.46 3ktj n LYS 108 Cb 0.15 -2.83 0.00 0.00 0.00 0.00 0.00 35.03 32.35 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 4.15 0.79 0.96 3.14 0.00 -1.26 -4.90 105.19 108.07 3ktj n GLY 109 Ca 0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.00 1.40 -3.74 1.61 4.76 -0.19 -4.94 118.16 115.07 3ktj n LYS 110 Ca 0.00 -3.10 -0.38 0.00 -2.87 0.00 0.00 58.31 51.97 3ktj n LYS 110 Cb 0.00 -1.32 -0.12 0.00 -1.84 0.00 0.00 35.03 31.75 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 -2.58 3.03 0.24 1.97 0.52 -1.24 -1.97 118.95 118.92 3ktj s ARG 111 Ca 0.38 -0.91 0.10 0.00 -0.52 0.00 0.00 55.73 54.78 3ktj s ARG 111 Cb 0.38 -3.43 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 3ktj s ARG 111 CO -0.08 -0.49 -0.08 0.71 0.02 0.00 0.00 175.30 175.37 3ktj s TYR 112 N 1.50 2.57 -0.01 -0.53 1.51 0.58 -0.21 117.35 122.76 3ktj s TYR 112 Ca 0.02 -0.25 -0.09 0.00 -1.01 0.00 0.00 57.07 55.74 3ktj s TYR 112 Cb -0.18 -1.17 0.01 0.00 -0.11 0.00 0.00 41.96 40.51 3ktj s TYR 112 CO 0.03 0.61 0.19 0.00 -1.11 0.00 0.00 175.55 175.26 3ktj s ALA 113 N -2.17 -0.46 0.55 3.71 0.00 -0.99 -0.30 121.76 122.11 3ktj s ALA 113 Ca 0.29 0.07 -0.05 0.00 0.00 0.00 0.00 51.96 52.27 3ktj s ALA 113 Cb -0.07 0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.09 3ktj s ALA 113 CO 0.17 -0.20 0.85 -0.51 0.00 0.00 0.00 175.76 176.07 3ktj s LEU 114 N -1.15 3.35 0.29 0.00 1.43 -1.02 -2.04 118.68 119.54 3ktj s LEU 114 Ca -0.12 0.70 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 3ktj s LEU 114 Cb -0.06 -3.56 0.67 0.00 0.03 0.00 0.00 46.19 43.27 3ktj s LEU 114 CO 0.02 -0.93 1.62 -0.65 0.23 0.00 0.00 176.35 176.64 3ktj h PRO 115 N -0.04 0.12 -0.45 1.29 0.11 -1.94 -2.79 132.00 128.32 3ktj h PRO 115 Ca -0.46 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.43 3ktj h PRO 115 Cb 1.25 -0.03 -0.13 0.00 0.11 0.00 0.00 31.00 32.20 3ktj h PRO 115 CO 0.60 0.08 0.05 0.09 -0.21 0.00 0.00 178.00 178.61 3ktj n ASN 116 N -5.32 2.87 -4.86 -2.05 4.13 -1.26 -4.69 115.26 104.08 3ktj n ASN 116 Ca 0.20 -3.66 -0.30 0.00 1.68 0.00 0.00 54.58 52.51 3ktj n ASN 116 Cb 0.67 -0.66 0.06 0.00 -1.54 0.00 0.00 39.78 38.31 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 -2.25 5.08 0.11 6.41 0.01 -1.05 -4.84 113.70 117.17 3ktj s SER 117 Ca 0.46 1.16 0.06 0.00 1.31 0.00 0.00 55.95 58.95 3ktj s SER 117 Cb 0.41 -1.92 -0.04 0.00 0.21 0.00 0.00 66.02 64.69 3ktj s SER 117 CO 0.03 -1.58 -0.16 -1.61 0.41 0.00 0.00 173.24 170.33 3ktj s GLU 118 N -5.31 1.03 -0.05 12.44 2.02 -0.94 -3.21 118.70 124.68 3ktj s GLU 118 Ca 0.59 -1.19 -0.01 0.00 0.02 0.00 0.00 54.97 54.38 3ktj s GLU 118 Cb -0.12 -1.03 0.03 0.00 0.10 0.00 0.00 34.13 33.11 3ktj s GLU 118 CO 0.52 0.21 0.01 0.08 0.02 0.00 0.00 175.26 176.10 3ktj s VAL 119 N -1.78 0.25 -0.10 2.63 1.01 -0.41 -1.75 120.40 120.25 3ktj s VAL 119 Ca 0.07 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.21 3ktj s VAL 119 Cb -0.07 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.93 3ktj s VAL 119 CO 0.04 0.21 -0.17 -0.32 0.00 0.00 0.00 175.10 174.86 3ktj s MET 120 N 1.63 2.32 -0.09 2.72 0.00 -1.03 0.41 119.30 125.25 3ktj s MET 120 Ca -0.01 -0.61 0.03 0.00 0.00 0.00 0.00 55.69 55.10 3ktj s MET 120 Cb -0.13 -1.91 0.01 0.00 0.00 0.00 0.00 34.83 32.80 3ktj s MET 120 CO -0.03 -0.00 -0.19 0.96 0.00 0.00 0.00 175.02 175.76 3ktj s ILE 121 N 0.81 1.68 0.00 10.11 -4.36 -0.99 -0.90 121.20 127.55 3ktj s ILE 121 Ca -0.10 -0.79 0.00 0.00 -0.26 0.00 0.00 60.65 59.50 3ktj s ILE 121 Cb -0.16 -1.48 0.00 0.00 1.25 0.00 0.00 42.46 42.07 3ktj s ILE 121 CO 0.01 0.48 0.00 0.00 0.24 0.00 0.00 174.94 175.67 3ktj n HIS 122 N 3.73 0.00 -4.27 1.37 1.44 -1.26 -2.76 115.22 113.47 3ktj n HIS 122 Ca -0.20 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.25 3ktj n HIS 122 Cb 0.52 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.55 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 1.65 2.24 0.33 -1.40 -2.07 -1.12 -4.88 119.66 114.41 3ktj s GLN 123 Ca 0.00 -1.28 -0.28 0.00 -1.82 0.00 0.00 55.36 51.98 3ktj s GLN 123 Cb 0.00 -2.21 -0.13 0.00 -1.09 0.00 0.00 33.01 29.58 3ktj s GLN 123 CO 0.00 0.41 1.20 -2.30 -1.32 0.00 0.00 175.29 173.28 3ktj n PRO 124 N -0.35 1.86 -4.15 9.60 -0.02 -1.26 -5.03 135.00 135.65 3ktj n PRO 124 Ca -0.09 0.65 -0.27 0.00 -2.02 0.00 0.00 63.50 61.77 3ktj n PRO 124 Cb 0.57 -2.17 -0.07 0.00 -0.02 0.00 0.00 33.50 31.80 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 -0.57 3.50 0.00 2.45 1.43 -1.26 -5.09 118.68 119.14 3ktj s LEU 125 Ca 0.57 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 3ktj s LEU 125 Cb -0.61 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.46 3ktj s LEU 125 CO 0.61 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.90 3ktj n GLY 126 N -0.05 2.14 3.66 -3.19 0.00 -1.26 -5.09 105.19 101.40 3ktj n GLY 126 Ca -0.09 -0.56 -0.04 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.26 -0.32 -0.22 -0.02 0.00 -1.26 -5.18 107.32 100.05 3ktj s GLY 127 Ca 0.00 0.54 -0.27 0.00 0.00 0.00 0.00 44.72 45.00 3ktj s GLY 127 CO 0.00 0.14 0.84 0.00 0.00 0.00 0.00 173.10 174.08 3ktj s ALA 128 N -3.03 -1.85 -0.13 3.20 0.00 -1.26 -4.93 121.76 113.75 3ktj s ALA 128 Ca 0.11 1.81 -0.11 0.00 0.00 0.00 0.00 51.96 53.77 3ktj s ALA 128 Cb -0.00 -1.00 0.04 0.00 0.00 0.00 0.00 23.12 22.16 3ktj s ALA 128 CO -0.02 -0.31 0.34 -1.14 0.00 0.00 0.00 175.76 174.63 3ktj s GLN 129 N -0.11 0.38 0.00 0.00 2.00 -1.26 -5.00 119.66 115.67 3ktj s GLN 129 Ca -0.01 0.52 0.00 0.00 -2.00 0.00 0.00 55.36 53.87 3ktj s GLN 129 Cb -0.04 0.14 0.00 0.00 0.80 0.00 0.00 33.01 33.91 3ktj s GLN 129 CO 0.00 -0.07 0.00 0.41 -0.50 0.00 0.00 175.29 175.13 3ktj n GLY 130 N 3.20 0.50 3.79 2.59 0.00 -1.26 -4.76 105.19 109.25 3ktj n GLY 130 Ca -0.16 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.28 3.41 0.19 1.61 -0.21 -1.26 -4.81 119.66 117.30 3ktj s GLN 131 Ca 0.00 1.43 -0.24 0.00 0.02 0.00 0.00 55.36 56.57 3ktj s GLN 131 Cb 0.00 -2.03 0.08 0.00 1.00 0.00 0.00 33.01 32.06 3ktj s GLN 131 CO 0.00 -0.77 1.56 0.00 -2.12 0.00 0.00 175.29 173.96 3ktj h ALA 132 N 1.01 -0.22 -0.93 6.09 0.00 -1.99 0.65 119.26 123.87 3ktj h ALA 132 Ca -0.49 0.16 0.20 0.00 0.00 0.00 0.00 54.91 54.79 3ktj h ALA 132 Cb 1.24 1.05 -0.08 0.00 0.00 0.00 0.00 17.79 20.01 3ktj h ALA 132 CO 0.57 -0.79 0.61 1.15 0.00 0.00 0.00 179.25 180.79 3ktj h THR 133 N -0.11 0.68 -0.02 0.00 2.02 -2.00 -1.69 112.91 111.79 3ktj h THR 133 Ca 0.23 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 3ktj h THR 133 Cb 0.54 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3ktj h THR 133 CO -0.83 0.09 -0.10 -0.33 0.37 0.00 0.00 175.52 174.72 3ktj h GLU 134 N 0.48 0.10 -0.61 6.66 5.08 -1.27 -2.98 114.58 122.04 3ktj h GLU 134 Ca 0.50 -0.08 0.17 0.00 -1.00 0.00 0.00 59.36 58.94 3ktj h GLU 134 Cb 1.14 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 3ktj h GLU 134 CO -0.22 0.75 0.43 0.82 -1.00 0.00 0.00 179.01 179.80 3ktj h ILE 135 N -0.53 0.72 -0.32 3.13 2.04 -0.81 -0.33 117.51 121.40 3ktj h ILE 135 Ca -0.01 -0.02 -0.10 0.00 1.00 0.00 0.00 64.86 65.74 3ktj h ILE 135 Cb 0.77 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3ktj h ILE 135 CO 0.02 0.01 -0.19 -0.08 0.00 0.00 0.00 178.15 177.91 3ktj h GLU 136 N 0.05 0.69 -0.28 2.37 4.81 -1.22 -2.87 114.58 118.14 3ktj h GLU 136 Ca 0.29 -0.32 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3ktj h GLU 136 Cb 1.09 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 3ktj h GLU 136 CO -0.02 0.92 0.15 0.82 -0.73 0.00 0.00 179.01 180.15 3ktj h ILE 137 N 0.46 1.00 -0.94 2.32 2.04 -0.91 -1.84 117.51 119.63 3ktj h ILE 137 Ca 0.07 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3ktj h ILE 137 Cb 0.73 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 3ktj h ILE 137 CO 0.05 0.06 0.56 0.00 0.00 0.00 0.00 178.15 178.82 3ktj h ALA 138 N 1.14 1.20 -0.40 1.87 0.00 -1.56 -2.92 119.26 118.59 3ktj h ALA 138 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ktj h ALA 138 Cb 0.03 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3ktj h ALA 138 CO -0.07 0.66 0.25 0.00 0.00 0.00 0.00 179.25 180.09 3ktj h ALA 139 N 1.31 0.51 -0.84 0.00 0.00 -1.21 -2.25 119.26 116.78 3ktj h ALA 139 Ca 0.34 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 3ktj h ALA 139 Cb -0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3ktj h ALA 139 CO -0.06 -0.01 0.45 0.87 0.00 0.00 0.00 179.25 180.50 3ktj h LYS 140 N 0.53 1.18 0.12 0.00 1.57 -1.17 -2.47 116.57 116.32 3ktj h LYS 140 Ca 0.14 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3ktj h LYS 140 Cb -0.02 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.06 3ktj h LYS 140 CO -0.03 0.87 -0.06 -0.09 -0.57 0.00 0.00 179.45 179.57 3ktj h ARG 141 N 1.18 -0.15 -0.53 3.15 2.43 -1.36 -2.14 114.38 116.95 3ktj h ARG 141 Ca 0.30 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 3ktj h ARG 141 Cb 0.04 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 3ktj h ARG 141 CO -0.05 0.15 0.28 0.97 -1.51 0.00 0.00 179.97 179.82 3ktj h ILE 142 N -0.46 1.17 -0.34 1.20 2.10 -1.36 -1.19 117.51 118.63 3ktj h ILE 142 Ca -0.02 -0.44 -0.04 0.00 1.08 0.00 0.00 64.86 65.44 3ktj h ILE 142 Cb 0.38 0.46 -0.01 0.00 -1.09 0.00 0.00 36.82 36.56 3ktj h ILE 142 CO 0.03 0.19 0.07 -0.07 -1.08 0.00 0.00 178.15 177.29 3ktj h LEU 143 N 0.74 0.53 -0.71 2.19 3.38 -1.42 -1.96 115.31 118.06 3ktj h LEU 143 Ca 0.19 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.99 3ktj h LEU 143 Cb 0.04 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 3ktj h LEU 143 CO -0.03 0.63 0.40 -0.07 0.09 0.00 0.00 178.44 179.46 3ktj h LEU 144 N 0.40 0.58 -0.24 1.67 3.38 -0.62 -1.92 115.31 118.56 3ktj h LEU 144 Ca 0.11 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3ktj h LEU 144 Cb 0.32 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3ktj h LEU 144 CO 0.00 0.36 0.09 -0.07 0.09 0.00 0.00 178.44 178.91 3ktj h LEU 145 N 0.71 0.34 -0.94 1.67 3.38 -1.05 -1.31 115.31 118.11 3ktj h LEU 145 Ca 0.33 -0.19 0.14 0.00 0.09 0.00 0.00 57.88 58.25 3ktj h LEU 145 Cb 0.24 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.81 3ktj h LEU 145 CO -0.21 0.44 0.56 -0.09 0.09 0.00 0.00 178.44 179.23 3ktj h ARG 146 N 0.23 0.81 -0.25 1.13 2.43 -0.96 0.22 114.38 117.99 3ktj h ARG 146 Ca 0.08 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 3ktj h ARG 146 Cb 0.21 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3ktj h ARG 146 CO -0.00 0.53 -0.10 0.22 -1.51 0.00 0.00 179.97 179.11 3ktj h ASP 147 N 0.83 0.52 0.13 -3.80 -0.00 -0.96 -1.42 116.42 111.71 3ktj h ASP 147 Ca 0.50 -0.40 -0.01 0.00 -0.00 0.00 0.00 57.03 57.12 3ktj h ASP 147 Cb 0.60 -0.14 0.00 0.00 -0.00 0.00 0.00 39.33 39.79 3ktj h ASP 147 CO -0.31 0.80 -0.06 0.50 -0.00 0.00 0.00 179.24 180.17 3ktj h LYS 148 N 0.23 -0.16 -0.81 0.28 3.64 -0.06 -2.42 116.57 117.27 3ktj h LYS 148 Ca 0.06 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.52 3ktj h LYS 148 Cb 0.60 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 3ktj h LYS 148 CO 0.03 -0.03 0.53 -0.07 -2.27 0.00 0.00 179.45 177.64 3ktj h LEU 149 N -0.25 0.74 -0.39 5.20 3.38 -0.61 -2.78 115.31 120.61 3ktj h LEU 149 Ca -0.02 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3ktj h LEU 149 Cb 0.20 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3ktj h LEU 149 CO 0.03 0.47 -0.17 0.78 0.09 0.00 0.00 178.44 179.63 3ktj h ASN 150 N 0.84 0.82 -0.66 -0.43 2.35 -0.98 -2.54 115.58 114.98 3ktj h ASN 150 Ca 0.36 -0.40 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 3ktj h ASN 150 Cb 0.30 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 3ktj h ASN 150 CO -0.13 1.04 0.40 0.11 -1.65 0.00 0.00 177.43 177.19 3ktj h LYS 151 N 0.60 0.91 -0.23 0.81 1.57 -1.16 -2.27 116.57 116.81 3ktj h LYS 151 Ca 0.09 -0.08 -0.20 0.00 -1.87 0.00 0.00 60.65 58.59 3ktj h LYS 151 Cb 0.72 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3ktj h LYS 151 CO 0.05 0.65 -0.64 0.28 -0.57 0.00 0.00 179.45 179.23 3ktj h VAL 152 N 0.93 1.28 -0.88 0.50 2.07 -1.51 -2.93 116.25 115.71 3ktj h VAL 152 Ca 0.24 -1.83 0.12 0.00 0.82 0.00 0.00 66.70 66.05 3ktj h VAL 152 Cb -0.03 1.77 -0.07 0.00 -1.52 0.00 0.00 31.29 31.45 3ktj h VAL 152 CO -0.04 0.59 0.57 -0.07 0.02 0.00 0.00 177.57 178.63 3ktj h LEU 153 N 0.60 0.70 -0.39 2.57 3.38 -1.00 -1.29 115.31 119.88 3ktj h LEU 153 Ca -0.01 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 3ktj h LEU 153 Cb 1.25 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 3ktj h LEU 153 CO 0.13 0.38 -0.28 0.00 0.09 0.00 0.00 178.44 178.76 3ktj h ALA 154 N 1.59 0.56 0.00 1.53 0.00 -1.31 -2.09 119.26 119.54 3ktj h ALA 154 Ca 0.43 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3ktj h ALA 154 Cb 0.59 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3ktj h ALA 154 CO -0.19 0.58 -0.38 0.93 0.00 0.00 0.00 179.25 180.20 3ktj h GLU 155 N 0.69 0.00 0.20 0.00 5.08 -1.16 0.16 114.58 119.54 3ktj h GLU 155 Ca 0.08 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.12 3ktj h GLU 155 Cb 0.86 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.13 3ktj h GLU 155 CO 0.08 0.38 -1.45 0.00 -1.00 0.00 0.00 179.01 177.02 3ktj h ARG 156 N 0.00 0.42 0.11 2.33 2.47 -1.19 -3.37 114.38 115.14 3ktj h ARG 156 Ca -0.00 -0.72 -0.32 0.00 -1.26 0.00 0.00 59.98 57.68 3ktj h ARG 156 Cb 0.76 0.27 -0.01 0.00 -1.65 0.00 0.00 29.97 29.33 3ktj h ARG 156 CO 0.05 1.33 -1.68 1.79 0.56 0.00 0.00 179.97 182.02 3ktj h THR 157 N 0.11 0.97 0.00 2.04 1.35 -1.35 -3.45 112.91 112.59 3ktj h THR 157 Ca -0.23 -2.65 0.00 0.00 -0.55 0.00 0.00 66.41 62.98 3ktj h THR 157 Cb 2.09 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 71.17 3ktj h THR 157 CO 0.23 0.79 0.00 0.61 -0.25 0.00 0.00 175.52 176.91 3ktj n GLY 158 N 1.74 0.35 3.78 5.82 0.00 0.54 -4.49 105.19 112.92 3ktj n GLY 158 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.88 4.33 0.58 1.61 -1.52 -1.17 -5.00 119.66 117.62 3ktj s GLN 159 Ca 0.00 1.55 -0.17 0.00 -1.95 0.00 0.00 55.36 54.79 3ktj s GLN 159 Cb 0.00 -2.72 -0.04 0.00 -0.22 0.00 0.00 33.01 30.03 3ktj s GLN 159 CO 0.00 0.00 1.07 -1.25 -0.25 0.00 0.00 175.29 174.87 3ktj s PRO 160 N -2.20 3.31 0.17 2.91 0.04 -1.26 -4.49 135.00 133.48 3ktj s PRO 160 Ca 0.54 1.33 -0.16 0.00 0.04 0.00 0.00 61.00 62.74 3ktj s PRO 160 Cb -0.24 -2.02 0.13 0.00 0.04 0.00 0.00 34.50 32.41 3ktj s PRO 160 CO 0.30 -0.84 1.66 1.25 0.04 0.00 0.00 177.00 179.41 3ktj h LEU 161 N 0.67 -0.39 -2.00 -3.56 5.85 -1.94 -1.78 115.31 112.16 3ktj h LEU 161 Ca -0.48 0.13 0.18 0.00 0.84 0.00 0.00 57.88 58.56 3ktj h LEU 161 Cb 1.23 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.50 3ktj h LEU 161 CO 0.57 -0.14 0.46 -0.08 -0.34 0.00 0.00 178.44 178.91 3ktj h GLU 162 N 0.01 0.00 0.03 1.25 4.57 -1.98 -0.41 114.58 118.06 3ktj h GLU 162 Ca 0.22 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.39 3ktj h GLU 162 Cb 0.33 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 3ktj h GLU 162 CO -0.45 0.00 -0.02 0.28 -1.18 0.00 0.00 179.01 177.64 3ktj h VAL 163 N 0.00 1.38 0.00 0.32 2.07 -1.71 -2.12 116.25 116.20 3ktj h VAL 163 Ca 0.30 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.22 3ktj h VAL 163 Cb 1.21 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 3ktj h VAL 163 CO -0.00 0.39 0.00 -0.38 0.02 0.00 0.00 177.57 177.60 3ktj n ILE 164 N -4.77 1.32 0.01 4.57 2.08 -0.72 -0.47 119.36 121.38 3ktj n ILE 164 Ca -0.09 0.43 -0.22 0.00 0.56 0.00 0.00 62.75 63.44 3ktj n ILE 164 Cb 0.33 -1.35 -0.14 0.00 -0.75 0.00 0.00 39.64 37.73 3ktj n ILE 164 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 3ktj h GLU 165 N 0.00 0.26 0.18 0.38 4.81 -1.01 -3.31 114.58 115.90 3ktj h GLU 165 Ca 0.00 -0.45 -0.33 0.00 -0.13 0.00 0.00 59.36 58.45 3ktj h GLU 165 Cb 0.13 0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.69 3ktj h GLU 165 CO 0.00 1.22 -1.59 -0.09 -0.73 0.00 0.00 179.01 177.82 3ktj h ARG 166 N -0.00 0.39 0.00 1.92 2.43 -0.91 -3.30 114.38 114.90 3ktj h ARG 166 Ca -0.41 -0.66 0.00 0.00 -0.81 0.00 0.00 59.98 58.10 3ktj h ARG 166 Cb 1.99 0.25 0.00 0.00 -0.42 0.00 0.00 29.97 31.79 3ktj h ARG 166 CO 0.08 1.29 0.00 -0.44 -1.51 0.00 0.00 179.97 179.39 3ktj h ASP 167 N 0.11 0.00 -0.07 -3.80 5.19 -0.97 -2.46 116.42 114.41 3ktj h ASP 167 Ca -0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 3ktj h ASP 167 Cb 2.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.60 3ktj h ASP 167 CO 0.20 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 176.67 3ktj n THR 168 N -2.39 0.10 -0.30 0.35 -2.24 -1.24 -4.60 114.28 103.96 3ktj n THR 168 Ca 0.01 -0.55 0.12 0.00 -2.27 0.00 0.00 64.05 61.35 3ktj n THR 168 Cb 0.17 1.26 0.28 0.00 -2.10 0.00 0.00 70.33 69.94 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 3.25 0.34 -5.07 3.42 -0.00 -1.52 -2.97 116.42 113.87 3ktj h ASP 169 Ca 0.00 0.14 -0.28 0.00 -0.00 0.00 0.00 57.03 56.89 3ktj h ASP 169 Cb 0.71 0.12 -0.15 0.00 -0.00 0.00 0.00 39.33 40.01 3ktj h ASP 169 CO 0.00 0.04 -0.62 -0.13 -0.00 0.00 0.00 179.24 178.52 3ktj s ARG 170 N -5.91 1.24 -0.40 0.28 0.52 -1.26 -4.72 118.95 108.69 3ktj s ARG 170 Ca -0.12 -1.65 -0.44 0.00 -0.52 0.00 0.00 55.73 53.00 3ktj s ARG 170 Cb 0.24 0.02 -0.18 0.00 0.52 0.00 0.00 34.95 35.55 3ktj s ARG 170 CO 0.78 -0.32 1.66 -0.25 0.02 0.00 0.00 175.30 177.19 3ktj n ASP 171 N -0.32 1.70 -3.78 0.23 9.92 -1.26 -4.70 116.55 118.33 3ktj n ASP 171 Ca -0.00 1.14 -0.29 0.00 -0.53 0.00 0.00 54.79 55.11 3ktj n ASP 171 Cb 0.66 -0.99 -0.13 0.00 -0.64 0.00 0.00 41.12 40.01 3ktj n ASP 171 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 3ktj s ASN 172 N 3.21 3.86 0.38 -2.24 3.04 -1.11 -5.02 114.94 117.05 3ktj s ASN 172 Ca 1.02 -2.91 -0.24 0.00 0.04 0.00 0.00 52.86 50.77 3ktj s ASN 172 Cb -1.32 -1.25 -0.10 0.00 -1.54 0.00 0.00 41.25 37.05 3ktj s ASN 172 CO 0.75 -0.23 0.99 -0.36 -3.04 0.00 0.00 177.10 175.21 3ktj s PHE 173 N -0.07 3.42 0.03 0.43 0.08 -1.26 -2.33 117.98 118.27 3ktj s PHE 173 Ca 0.19 1.69 -0.06 0.00 0.12 0.00 0.00 56.93 58.87 3ktj s PHE 173 Cb -0.21 -3.00 -0.01 0.00 -0.57 0.00 0.00 43.02 39.24 3ktj s PHE 173 CO -0.03 -0.23 0.11 0.15 -0.10 0.00 0.00 175.22 175.11 3ktj s LYS 174 N -2.50 0.56 0.39 0.44 1.02 0.17 -4.96 119.74 114.86 3ktj s LYS 174 Ca 0.56 -0.66 0.01 0.00 0.02 0.00 0.00 55.97 55.90 3ktj s LYS 174 Cb -0.18 0.22 -0.02 0.00 -0.52 0.00 0.00 37.83 37.34 3ktj s LYS 174 CO 0.23 -0.14 0.59 -1.54 -0.92 0.00 0.00 175.35 173.57 3ktj s SER 175 N -1.94 6.06 0.34 2.83 1.04 -1.26 -1.28 113.70 119.49 3ktj s SER 175 Ca -0.08 0.30 0.12 0.00 0.48 0.00 0.00 55.95 56.77 3ktj s SER 175 Cb -0.03 -1.73 0.93 0.00 0.10 0.00 0.00 66.02 65.29 3ktj s SER 175 CO -0.03 -0.48 1.75 0.00 0.98 0.00 0.00 173.24 175.46 3ktj h ALA 176 N 0.63 1.91 0.00 5.32 0.00 -1.82 0.86 119.26 126.15 3ktj h ALA 176 Ca -0.48 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 3ktj h ALA 176 Cb 1.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3ktj h ALA 176 CO 0.59 -0.34 -0.50 0.93 0.00 0.00 0.00 179.25 179.92 3ktj h GLU 177 N 0.55 0.00 -0.02 0.00 3.07 -1.92 -1.81 114.58 114.46 3ktj h GLU 177 Ca 0.62 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.26 3ktj h GLU 177 Cb 1.26 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 29.18 3ktj h GLU 177 CO -0.40 0.50 -0.83 0.93 -1.40 0.00 0.00 179.01 177.81 3ktj h GLU 178 N 0.00 0.59 -0.49 2.33 5.08 0.19 -2.54 114.58 119.74 3ktj h GLU 178 Ca -0.00 -0.61 -0.00 0.00 -1.00 0.00 0.00 59.36 57.74 3ktj h GLU 178 Cb 0.91 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 3ktj h GLU 178 CO 0.06 1.22 0.29 0.00 -1.00 0.00 0.00 179.01 179.59 3ktj h ALA 179 N 0.38 0.62 -0.89 3.43 0.00 -0.46 0.43 119.26 122.78 3ktj h ALA 179 Ca -0.10 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.81 3ktj h ALA 179 Cb 1.50 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 3ktj h ALA 179 CO 0.16 0.11 0.55 1.25 0.00 0.00 0.00 179.25 181.33 3ktj h LEU 180 N 0.65 0.87 -0.38 0.00 5.85 -1.35 -0.37 115.31 120.58 3ktj h LEU 180 Ca 0.17 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 3ktj h LEU 180 Cb -0.01 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 3ktj h LEU 180 CO -0.03 0.56 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.23 3ktj h GLU 181 N 1.01 0.72 0.00 1.25 5.08 -0.93 -2.85 114.58 118.86 3ktj h GLU 181 Ca 0.39 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3ktj h GLU 181 Cb 0.18 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3ktj h GLU 181 CO -0.18 0.85 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.77 3ktj h TYR 182 N 0.53 0.00 0.00 4.33 3.20 -0.44 -3.47 116.97 121.13 3ktj h TYR 182 Ca 0.10 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3ktj h TYR 182 Cb 0.57 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.84 3ktj h TYR 182 CO 0.05 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 176.98 3ktj n GLY 183 N -0.21 0.87 0.14 1.82 0.00 -0.22 -4.68 105.19 102.92 3ktj n GLY 183 Ca -0.00 -0.42 0.06 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 -8.30 0.99 3.38 -1.62 -3.35 115.31 106.41 3ktj h LEU 184 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 3ktj h LEU 184 Cb 0.08 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.67 3ktj h LEU 184 CO 0.00 0.30 -0.69 0.27 0.09 0.00 0.00 178.44 178.41 3ktj s ILE 185 N -3.09 0.37 -0.06 1.22 -4.36 -1.25 -4.07 121.20 109.96 3ktj s ILE 185 Ca 0.02 -1.82 0.19 0.00 -0.26 0.00 0.00 60.65 58.79 3ktj s ILE 185 Cb 0.08 -1.53 -0.29 0.00 1.25 0.00 0.00 42.46 41.97 3ktj s ILE 185 CO 0.75 -0.94 0.35 0.47 0.24 0.00 0.00 174.94 175.81 3ktj n ASP 186 N 0.12 0.47 -3.52 4.36 8.00 0.71 -4.54 116.55 122.15 3ktj n ASP 186 Ca -0.14 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.21 3ktj n ASP 186 Cb 0.61 1.68 -0.05 0.00 -0.02 0.00 0.00 41.12 43.34 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 -3.16 1.08 -0.20 -1.24 2.20 -0.95 -5.01 119.74 112.47 3ktj s LYS 187 Ca -0.08 -0.02 -0.03 0.00 -0.36 0.00 0.00 55.97 55.48 3ktj s LYS 187 Cb 0.11 0.50 -0.01 0.00 -1.51 0.00 0.00 37.83 36.92 3ktj s LYS 187 CO 0.81 -0.38 -0.05 0.42 -0.36 0.00 0.00 175.35 175.79 3ktj s ILE 188 N -1.99 3.45 -0.12 5.43 1.01 -1.26 -2.35 121.20 125.37 3ktj s ILE 188 Ca -0.07 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 59.80 3ktj s ILE 188 Cb -0.01 -2.54 -0.02 0.00 0.01 0.00 0.00 42.46 39.90 3ktj s ILE 188 CO 0.03 0.45 1.25 -0.76 0.00 0.00 0.00 174.94 175.90 3ktj s LEU 189 N 1.12 4.22 0.00 2.97 1.43 -0.87 -4.95 118.68 122.61 3ktj s LEU 189 Ca 0.02 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.87 3ktj s LEU 189 Cb -0.15 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.53 3ktj s LEU 189 CO -0.01 -0.70 0.00 0.35 0.23 0.00 0.00 176.35 176.23 3ktj n THR 190 N 5.08 0.00 0.00 5.49 -2.24 -1.26 -4.06 114.28 117.29 3ktj n THR 190 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 3ktj n THR 190 Cb 0.45 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 3ktj n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50