#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 1.04 0.05 5.18 6.09 -2.06 -2.29 117.51 125.52 3ktj h ILE 19 Ca 0.00 -2.19 -0.22 0.00 -1.37 0.00 0.00 64.86 61.09 3ktj h ILE 19 Cb 0.00 2.32 0.02 0.00 0.47 0.00 0.00 36.82 39.63 3ktj h ILE 19 CO 0.00 0.54 -0.88 1.88 -3.07 0.00 0.00 178.15 176.62 3ktj h TYR 20 N 0.00 0.79 -0.93 2.19 0.05 -2.00 -1.72 116.97 115.35 3ktj h TYR 20 Ca -0.01 -0.47 0.09 0.00 0.05 0.00 0.00 58.73 58.40 3ktj h TYR 20 Cb 1.28 -0.08 -0.07 0.00 1.01 0.00 0.00 36.73 38.87 3ktj h TYR 20 CO 0.00 1.31 0.60 0.77 -1.05 0.00 0.00 178.16 179.79 3ktj h SER 21 N 0.05 0.88 -0.84 3.88 0.02 -1.96 0.10 113.55 115.68 3ktj h SER 21 Ca -0.12 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 3ktj h SER 21 Cb 1.59 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.92 3ktj h SER 21 CO 0.17 0.52 0.53 -0.09 -1.14 0.00 0.00 176.83 176.82 3ktj h ARG 22 N 0.97 1.12 -0.12 3.45 9.65 -1.21 -1.96 114.38 126.29 3ktj h ARG 22 Ca 0.43 -0.09 -0.03 0.00 -1.10 0.00 0.00 59.98 59.19 3ktj h ARG 22 Cb 0.35 -0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 3ktj h ARG 22 CO -0.19 0.77 -0.07 -0.07 2.80 0.00 0.00 179.97 183.21 3ktj h LEU 23 N 1.14 0.16 -1.32 3.80 3.38 0.12 -0.83 115.31 121.75 3ktj h LEU 23 Ca 0.30 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.19 3ktj h LEU 23 Cb -0.08 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3ktj h LEU 23 CO -0.06 0.26 -0.31 0.25 0.09 0.00 0.00 178.44 178.67 3ktj h LEU 24 N 0.17 0.00 -1.62 1.67 5.85 -0.70 -0.69 115.31 119.99 3ktj h LEU 24 Ca 0.04 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3ktj h LEU 24 Cb 0.24 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3ktj h LEU 24 CO 0.01 0.31 0.30 0.11 -0.34 0.00 0.00 178.44 178.83 3ktj h LYS 25 N 0.00 0.49 -0.45 1.25 6.56 -0.96 -2.08 116.57 121.39 3ktj h LYS 25 Ca -0.00 -0.03 -0.12 0.00 -1.06 0.00 0.00 60.65 59.44 3ktj h LYS 25 Cb 0.65 -0.11 -0.07 0.00 -0.57 0.00 0.00 32.23 32.12 3ktj h LYS 25 CO 0.04 0.33 0.08 -0.25 -2.06 0.00 0.00 179.45 177.58 3ktj n ASP 26 N -4.48 3.84 -2.55 0.86 9.92 -0.98 -4.98 116.55 118.19 3ktj n ASP 26 Ca 0.05 -3.28 -0.11 0.00 -0.53 0.00 0.00 54.79 50.92 3ktj n ASP 26 Cb 0.14 -0.64 0.06 0.00 -0.64 0.00 0.00 41.12 40.04 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 -0.56 -3.87 -4.32 -1.24 1.74 -0.78 -4.92 116.66 102.71 3ktj n ARG 27 Ca 0.31 0.54 -0.21 0.00 -0.77 0.00 0.00 57.85 57.73 3ktj n ARG 27 Cb 1.10 -4.59 -0.16 0.00 -1.02 0.00 0.00 32.46 27.79 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 -3.23 0.71 0.07 0.55 1.01 -0.30 -1.56 121.20 118.45 3ktj s ILE 28 Ca 0.03 -0.27 0.09 0.00 0.00 0.00 0.00 60.65 60.50 3ktj s ILE 28 Cb -0.00 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.76 3ktj s ILE 28 CO 0.46 0.25 -0.23 -0.63 0.00 0.00 0.00 174.94 174.79 3ktj s ILE 29 N 0.55 2.42 -0.14 2.92 1.01 -0.23 -3.32 121.20 124.40 3ktj s ILE 29 Ca -0.08 -1.40 -0.01 0.00 0.00 0.00 0.00 60.65 59.16 3ktj s ILE 29 Cb -0.12 -2.01 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 3ktj s ILE 29 CO 0.01 0.29 -0.12 -0.04 0.00 0.00 0.00 174.94 175.07 3ktj s MET 30 N -1.52 3.37 -0.78 2.79 -1.94 -1.26 -1.04 119.30 118.91 3ktj s MET 30 Ca 0.14 -0.68 0.02 0.00 -1.71 0.00 0.00 55.69 53.46 3ktj s MET 30 Cb -0.10 -2.68 0.20 0.00 2.01 0.00 0.00 34.83 34.26 3ktj s MET 30 CO 0.04 0.14 0.64 -0.11 -0.01 0.00 0.00 175.02 175.73 3ktj n LEU 31 N 3.73 3.58 -2.34 -0.03 7.94 -0.11 -4.94 117.00 124.85 3ktj n LEU 31 Ca -0.18 -5.20 -0.28 0.00 -1.11 0.00 0.00 56.01 49.24 3ktj n LEU 31 Cb 0.52 -0.89 0.02 0.00 0.53 0.00 0.00 43.42 43.60 3ktj n LEU 31 CO 0.30 1.70 0.43 0.61 -1.11 0.00 0.00 177.39 179.33 3ktj n GLY 32 N 2.00 6.10 3.83 -3.96 0.00 -1.26 -0.83 105.19 111.06 3ktj n GLY 32 Ca 0.21 -2.66 -0.07 0.00 0.00 0.00 0.00 46.02 43.50 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 -3.17 -0.07 0.51 1.61 1.04 -1.22 -4.88 113.70 107.52 3ktj s SER 33 Ca 0.51 -0.89 -0.22 0.00 0.48 0.00 0.00 55.95 55.83 3ktj s SER 33 Cb 0.42 0.74 -0.06 0.00 0.10 0.00 0.00 66.02 67.22 3ktj s SER 33 CO -0.11 -1.44 1.31 0.00 0.98 0.00 0.00 173.24 173.98 3ktj s ALA 34 N -2.75 2.91 -0.43 5.32 0.00 -1.26 -4.46 121.76 121.09 3ktj s ALA 34 Ca 0.15 1.24 -0.25 0.00 0.00 0.00 0.00 51.96 53.10 3ktj s ALA 34 Cb -0.05 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.58 3ktj s ALA 34 CO 0.09 -1.16 0.89 0.42 0.00 0.00 0.00 175.76 176.00 3ktj s ILE 35 N -1.35 4.55 0.41 0.00 1.01 0.38 -4.92 121.20 121.27 3ktj s ILE 35 Ca 0.68 0.78 0.03 0.00 0.00 0.00 0.00 60.65 62.13 3ktj s ILE 35 Cb -0.38 -4.37 -0.01 0.00 0.01 0.00 0.00 42.46 37.71 3ktj s ILE 35 CO 0.45 -0.72 0.10 -0.90 0.00 0.00 0.00 174.94 173.87 3ktj n ASP 36 N 6.95 1.80 -0.04 3.58 5.75 -1.26 -1.14 116.55 132.18 3ktj n ASP 36 Ca 0.05 -3.05 -0.09 0.00 -0.01 0.00 0.00 54.79 51.70 3ktj n ASP 36 Cb 0.48 0.79 -0.03 0.00 -1.03 0.00 0.00 41.12 41.34 3ktj n ASP 36 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3ktj h ASP 37 N 1.42 -0.02 0.16 -1.12 3.45 -1.96 -2.36 116.42 115.98 3ktj h ASP 37 Ca -0.32 0.04 0.01 0.00 0.43 0.00 0.00 57.03 57.18 3ktj h ASP 37 Cb 1.15 0.05 -0.03 0.00 -0.56 0.00 0.00 39.33 39.95 3ktj h ASP 37 CO 0.52 0.02 -0.23 0.78 -1.57 0.00 0.00 179.24 178.75 3ktj h ASN 38 N 0.09 -0.65 -0.43 6.45 2.35 -1.99 0.11 115.58 121.52 3ktj h ASN 38 Ca 0.09 0.07 0.08 0.00 -0.55 0.00 0.00 56.30 55.99 3ktj h ASN 38 Cb 0.10 0.24 -0.08 0.00 0.05 0.00 0.00 38.32 38.63 3ktj h ASN 38 CO -0.13 -0.33 -0.05 0.58 -1.65 0.00 0.00 177.43 175.84 3ktj h VAL 39 N -0.46 0.61 -0.41 2.81 2.07 -1.91 -1.03 116.25 117.93 3ktj h VAL 39 Ca 0.02 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.55 3ktj h VAL 39 Cb 0.46 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3ktj h VAL 39 CO -0.10 0.01 0.20 0.00 0.02 0.00 0.00 177.57 177.70 3ktj h ALA 40 N 1.41 0.51 -0.31 1.67 0.00 -1.05 -2.37 119.26 119.12 3ktj h ALA 40 Ca 0.21 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3ktj h ALA 40 Cb 0.32 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3ktj h ALA 40 CO -0.40 -0.16 0.07 -0.91 0.00 0.00 0.00 179.25 177.85 3ktj h ASN 41 N 0.41 0.40 -0.20 0.00 2.35 -0.17 -2.20 115.58 116.18 3ktj h ASN 41 Ca 0.18 -0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.81 3ktj h ASN 41 Cb 0.09 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 3ktj h ASN 41 CO -0.13 0.41 -0.14 -1.28 -1.65 0.00 0.00 177.43 174.64 3ktj h SER 42 N 0.44 0.47 0.37 5.81 0.87 -0.72 -3.06 113.55 117.73 3ktj h SER 42 Ca 0.11 -0.45 -0.11 0.00 -1.23 0.00 0.00 61.79 60.11 3ktj h SER 42 Cb 0.18 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3ktj h SER 42 CO -0.00 0.81 -0.46 0.40 -0.53 0.00 0.00 176.83 177.05 3ktj h ILE 43 N 0.12 1.33 -0.52 2.23 2.04 -1.33 -2.92 117.51 118.46 3ktj h ILE 43 Ca 0.04 -1.61 -0.06 0.00 1.00 0.00 0.00 64.86 64.22 3ktj h ILE 43 Cb 0.66 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 3ktj h ILE 43 CO 0.04 0.47 0.06 0.58 0.00 0.00 0.00 178.15 179.30 3ktj h VAL 44 N 0.09 1.24 0.01 1.67 2.07 -1.39 -2.90 116.25 117.04 3ktj h VAL 44 Ca 0.00 -0.93 -0.21 0.00 0.82 0.00 0.00 66.70 66.38 3ktj h VAL 44 Cb 0.85 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3ktj h VAL 44 CO 0.06 0.34 -0.93 0.28 0.02 0.00 0.00 177.57 177.34 3ktj h SER 45 N 0.78 0.33 0.92 0.57 0.02 -1.43 -3.01 113.55 111.74 3ktj h SER 45 Ca 0.16 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 60.80 3ktj h SER 45 Cb 0.39 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 3ktj h SER 45 CO 0.01 1.09 -0.14 1.56 -1.14 0.00 0.00 176.83 178.22 3ktj h GLN 46 N 0.13 0.00 0.15 3.45 4.20 -1.41 0.17 115.11 121.80 3ktj h GLN 46 Ca -0.06 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.42 3ktj h GLN 46 Cb 1.58 0.00 0.02 0.00 0.30 0.00 0.00 27.48 29.38 3ktj h GLN 46 CO 0.15 0.14 -1.04 -0.07 -0.67 0.00 0.00 178.83 177.34 3ktj h LEU 47 N 0.00 0.50 -0.10 1.46 3.38 -1.55 -2.35 115.31 116.65 3ktj h LEU 47 Ca -0.00 -0.93 0.03 0.00 0.09 0.00 0.00 57.88 57.07 3ktj h LEU 47 Cb 0.64 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3ktj h LEU 47 CO 0.02 1.49 -0.10 -0.07 0.09 0.00 0.00 178.44 179.87 3ktj h LEU 48 N -0.29 -0.30 0.11 1.67 3.38 -1.32 -0.47 115.31 118.09 3ktj h LEU 48 Ca -0.19 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3ktj h LEU 48 Cb 1.74 0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.64 3ktj h LEU 48 CO 0.15 -0.13 -0.05 0.15 0.09 0.00 0.00 178.44 178.64 3ktj h PHE 49 N -0.12 -0.14 -0.67 1.13 3.57 -0.78 -2.63 116.94 117.31 3ktj h PHE 49 Ca 0.07 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.64 3ktj h PHE 49 Cb 0.22 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.95 3ktj h PHE 49 CO -0.21 -0.01 0.34 -0.07 -2.23 0.00 0.00 178.31 176.13 3ktj h LEU 50 N -0.23 0.47 -1.93 0.59 3.38 -1.21 -0.76 115.31 115.61 3ktj h LEU 50 Ca -0.02 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3ktj h LEU 50 Cb 0.19 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3ktj h LEU 50 CO 0.02 0.29 -0.05 0.00 0.09 0.00 0.00 178.44 178.79 3ktj h ALA 51 N 1.38 1.07 0.02 1.53 0.00 -1.01 -2.70 119.26 119.55 3ktj h ALA 51 Ca 0.32 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.98 3ktj h ALA 51 Cb 0.28 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3ktj h ALA 51 CO -0.23 0.06 -0.96 0.00 0.00 0.00 0.00 179.25 178.12 3ktj h ALA 52 N 1.95 0.43 -0.18 0.00 0.00 -0.76 -2.66 119.26 118.04 3ktj h ALA 52 Ca -0.00 -0.80 -0.17 0.00 0.00 0.00 0.00 54.91 53.93 3ktj h ALA 52 Cb 0.36 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.06 3ktj h ALA 52 CO 0.01 1.04 -0.56 0.93 0.00 0.00 0.00 179.25 180.66 3ktj h GLU 53 N 0.05 0.70 -1.24 0.00 5.08 -1.19 -3.43 114.58 114.55 3ktj h GLU 53 Ca -0.04 -0.51 -0.08 0.00 -1.00 0.00 0.00 59.36 57.73 3ktj h GLU 53 Cb 1.64 0.09 -0.23 0.00 0.50 0.00 0.00 28.75 30.75 3ktj h GLU 53 CO 0.14 1.13 -0.46 0.34 -1.00 0.00 0.00 179.01 179.16 3ktj s ASP 54 N -6.84 -0.92 0.00 1.42 2.15 -1.19 -5.01 116.67 106.29 3ktj s ASP 54 Ca -0.12 -0.34 0.00 0.00 0.43 0.00 0.00 52.55 52.52 3ktj s ASP 54 Cb 0.08 1.69 0.00 0.00 -0.30 0.00 0.00 42.92 44.38 3ktj s ASP 54 CO 0.86 -0.27 0.25 -0.81 -0.17 0.00 0.00 175.17 175.03 3ktj n PRO 55 N 5.04 0.40 0.01 4.34 -0.04 -1.00 -3.43 135.00 140.32 3ktj n PRO 55 Ca 0.06 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.50 3ktj n PRO 55 Cb 0.53 -1.23 -0.01 0.00 -0.04 0.00 0.00 33.50 32.76 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 0.43 0.13 -1.67 0.54 -0.58 -1.26 -4.08 120.64 114.15 3ktj n GLU 56 Ca 0.00 0.05 -0.43 0.00 -0.42 0.00 0.00 57.16 56.36 3ktj n GLU 56 Cb 0.13 -0.69 -0.01 0.00 -0.57 0.00 0.00 31.44 30.30 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 -3.62 1.96 -2.24 3.49 4.76 -1.22 -4.66 118.16 116.63 3ktj n LYS 57 Ca -0.03 0.69 -0.32 0.00 -2.87 0.00 0.00 58.31 55.77 3ktj n LYS 57 Cb 0.13 -2.23 -0.01 0.00 -1.84 0.00 0.00 35.03 31.08 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 -1.74 3.68 0.13 1.97 -1.05 -1.26 -4.58 118.70 115.85 3ktj s GLU 58 Ca 0.57 1.05 0.04 0.00 -0.15 0.00 0.00 54.97 56.47 3ktj s GLU 58 Cb -0.60 -2.09 -0.04 0.00 -0.44 0.00 0.00 34.13 30.96 3ktj s GLU 58 CO 0.61 -0.50 0.15 0.42 0.95 0.00 0.00 175.26 176.89 3ktj s ILE 59 N -2.57 4.69 -0.14 1.83 1.01 -0.41 -4.96 121.20 120.66 3ktj s ILE 59 Ca 0.61 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 60.39 3ktj s ILE 59 Cb -0.12 -3.35 0.02 0.00 0.01 0.00 0.00 42.46 39.02 3ktj s ILE 59 CO 0.34 -0.02 -0.14 -0.55 0.00 0.00 0.00 174.94 174.58 3ktj s SER 60 N -2.86 2.62 -0.27 3.58 0.15 -0.60 -1.60 113.70 114.72 3ktj s SER 60 Ca 0.31 -0.47 -0.06 0.00 0.70 0.00 0.00 55.95 56.44 3ktj s SER 60 Cb -0.11 -1.14 0.01 0.00 -1.71 0.00 0.00 66.02 63.06 3ktj s SER 60 CO 0.24 -0.06 0.04 -0.22 1.20 0.00 0.00 173.24 174.44 3ktj s LEU 61 N 1.47 3.57 -0.04 3.45 2.96 -0.58 -1.07 118.68 128.44 3ktj s LEU 61 Ca 0.04 -0.64 -0.14 0.00 -0.22 0.00 0.00 54.13 53.17 3ktj s LEU 61 Cb -0.13 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.68 3ktj s LEU 61 CO -0.10 -0.14 0.36 -0.31 -1.32 0.00 0.00 176.35 174.84 3ktj s TYR 62 N 1.48 3.67 -0.13 5.38 2.02 -0.21 -2.23 117.35 127.33 3ktj s TYR 62 Ca 0.03 0.88 0.03 0.00 -0.37 0.00 0.00 57.07 57.64 3ktj s TYR 62 Cb -0.16 -2.26 0.01 0.00 -0.40 0.00 0.00 41.96 39.15 3ktj s TYR 62 CO 0.01 0.59 -0.20 0.42 -1.57 0.00 0.00 175.55 174.79 3ktj s ILE 63 N -0.81 1.91 -0.43 2.71 1.01 -0.25 -0.93 121.20 124.40 3ktj s ILE 63 Ca 0.22 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 60.04 3ktj s ILE 63 Cb -0.16 -1.69 0.22 0.00 0.01 0.00 0.00 42.46 40.84 3ktj s ILE 63 CO 0.11 0.52 0.58 -3.20 0.00 0.00 0.00 174.94 172.95 3ktj n ASN 64 N 4.02 -1.09 -4.21 3.58 2.85 -0.01 -1.58 115.26 118.82 3ktj n ASN 64 Ca -0.20 -2.77 -0.17 0.00 -0.11 0.00 0.00 54.58 51.33 3ktj n ASN 64 Cb 0.52 0.20 -0.11 0.00 1.24 0.00 0.00 39.78 41.62 3ktj n ASN 64 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 3ktj s SER 65 N -0.74 1.80 0.20 1.20 0.15 -0.07 -3.46 113.70 112.78 3ktj s SER 65 Ca 0.33 -0.75 0.23 0.00 0.70 0.00 0.00 55.95 56.47 3ktj s SER 65 Cb 0.13 -0.05 0.23 0.00 -1.71 0.00 0.00 66.02 64.63 3ktj s SER 65 CO -0.15 -0.14 1.28 1.55 1.20 0.00 0.00 173.24 176.97 3ktj h PRO 66 N 3.77 0.00 0.00 5.44 0.13 -1.80 -2.20 132.00 137.34 3ktj h PRO 66 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 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 0.48 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.66 3ktj n GLY 67 N 1.24 0.33 0.00 1.56 0.00 -1.21 -4.30 105.19 102.81 3ktj n GLY 67 Ca 0.02 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.28 3.74 -0.02 0.00 -1.26 0.14 105.19 107.51 3ktj n GLY 68 Ca 0.00 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 3ktj n GLY 68 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ktj s SER 69 N -4.00 7.56 0.06 1.61 0.15 -0.29 -4.86 113.70 113.93 3ktj s SER 69 Ca 0.00 1.85 -0.25 0.00 0.70 0.00 0.00 55.95 58.25 3ktj s SER 69 Cb 0.00 -2.59 -0.17 0.00 -1.71 0.00 0.00 66.02 61.55 3ktj s SER 69 CO 0.00 0.06 1.59 0.40 1.20 0.00 0.00 173.24 176.49 3ktj h ILE 70 N 3.58 0.97 -0.60 6.45 2.04 -1.99 -1.36 117.51 126.60 3ktj h ILE 70 Ca -0.44 -0.27 0.05 0.00 1.00 0.00 0.00 64.86 65.20 3ktj h ILE 70 Cb 1.21 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 38.38 3ktj h ILE 70 CO 0.70 0.07 0.34 0.71 0.00 0.00 0.00 178.15 179.96 3ktj h THR 71 N -0.26 0.99 -0.18 -0.27 1.35 -1.99 -1.56 112.91 110.99 3ktj h THR 71 Ca -0.01 -0.22 -0.01 0.00 -0.55 0.00 0.00 66.41 65.62 3ktj h THR 71 Cb 0.21 0.30 -0.01 0.00 -1.73 0.00 0.00 68.15 66.92 3ktj h THR 71 CO 0.02 0.12 0.07 0.00 -0.25 0.00 0.00 175.52 175.48 3ktj h ALA 72 N 1.30 0.23 0.00 6.62 0.00 -1.90 -2.58 119.26 122.93 3ktj h ALA 72 Ca 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3ktj h ALA 72 Cb 0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3ktj h ALA 72 CO -0.15 -0.18 -0.03 0.78 0.00 0.00 0.00 179.25 179.67 3ktj h GLY 73 N 0.13 0.00 1.92 0.00 0.00 -0.92 -2.00 103.07 102.21 3ktj h GLY 73 Ca 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.22 3ktj h GLY 73 CO -0.00 0.00 -0.79 -0.33 0.00 0.00 0.00 176.54 175.41 3ktj h MET 74 N 0.00 0.07 -0.32 4.80 2.86 -0.91 -2.71 114.93 118.72 3ktj h MET 74 Ca -0.00 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 3ktj h MET 74 Cb 0.07 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 3ktj h MET 74 CO 0.00 0.83 0.10 0.00 1.06 0.00 0.00 176.91 178.90 3ktj h ALA 75 N 1.15 0.42 0.12 6.32 0.00 -1.05 -0.19 119.26 126.02 3ktj h ALA 75 Ca -0.02 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3ktj h ALA 75 Cb 1.39 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3ktj h ALA 75 CO 0.11 0.05 -0.15 0.82 0.00 0.00 0.00 179.25 180.08 3ktj h ILE 76 N 0.36 0.65 0.26 0.00 2.04 -1.51 -2.46 117.51 116.86 3ktj h ILE 76 Ca 0.10 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.97 3ktj h ILE 76 Cb 0.24 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 3ktj h ILE 76 CO -0.00 0.00 -0.48 0.22 0.00 0.00 0.00 178.15 177.89 3ktj h TYR 77 N -0.32 -1.36 -0.78 1.37 3.20 -1.32 -1.90 116.97 115.86 3ktj h TYR 77 Ca 0.01 0.03 0.23 0.00 3.14 0.00 0.00 58.73 62.13 3ktj h TYR 77 Cb 0.32 0.56 -0.03 0.00 1.54 0.00 0.00 36.73 39.12 3ktj h TYR 77 CO -0.15 -0.60 0.67 -0.44 -1.64 0.00 0.00 178.16 176.00 3ktj h ASP 78 N -0.81 0.00 0.76 -2.11 3.45 -0.89 -0.66 116.42 116.17 3ktj h ASP 78 Ca -0.02 0.00 -0.25 0.00 0.43 0.00 0.00 57.03 57.19 3ktj h ASP 78 Cb 0.77 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.51 3ktj h ASP 78 CO -0.19 0.00 -1.30 0.74 -1.57 0.00 0.00 179.24 176.92 3ktj h THR 79 N 0.00 1.36 -0.11 0.35 2.02 -0.88 -2.98 112.91 112.67 3ktj h THR 79 Ca 0.37 -3.11 -0.09 0.00 0.77 0.00 0.00 66.41 64.35 3ktj h THR 79 Cb 1.70 2.69 -0.01 0.00 -1.74 0.00 0.00 68.15 70.79 3ktj h THR 79 CO -0.00 0.79 -0.32 0.24 0.37 0.00 0.00 175.52 176.60 3ktj h MET 80 N 0.01 0.22 0.00 6.66 2.86 -0.61 -2.85 114.93 121.22 3ktj h MET 80 Ca -0.13 -0.08 -0.16 0.00 -2.06 0.00 0.00 59.70 57.27 3ktj h MET 80 Cb 1.88 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.51 3ktj h MET 80 CO 0.12 0.52 -0.86 1.96 1.06 0.00 0.00 176.91 179.71 3ktj h GLN 81 N 0.19 0.00 -0.08 1.72 1.08 -1.59 -3.36 115.11 113.07 3ktj h GLN 81 Ca 0.03 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.12 3ktj h GLN 81 Cb 0.67 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 3ktj h GLN 81 CO 0.05 0.60 -0.35 0.35 -0.95 0.00 0.00 178.83 178.53 3ktj h PHE 82 N 0.00 0.50 -4.05 2.96 3.57 -1.34 -3.46 116.94 115.12 3ktj h PHE 82 Ca -0.05 -0.22 -0.49 0.00 3.53 0.00 0.00 57.97 60.74 3ktj h PHE 82 Cb 1.56 -0.08 0.16 0.00 2.79 0.00 0.00 35.95 40.39 3ktj h PHE 82 CO 0.00 0.96 0.22 0.96 -2.23 0.00 0.00 178.31 178.23 3ktj s ILE 83 N -3.65 2.57 -0.02 1.41 -4.36 -1.11 -5.00 121.20 111.03 3ktj s ILE 83 Ca -0.14 0.19 -0.04 0.00 -0.26 0.00 0.00 60.65 60.39 3ktj s ILE 83 Cb 0.04 -2.52 -0.28 0.00 1.25 0.00 0.00 42.46 40.95 3ktj s ILE 83 CO 0.78 -0.24 0.76 0.11 0.24 0.00 0.00 174.94 176.59 3ktj h LYS 84 N -1.69 0.27 -7.07 0.37 1.57 -1.90 -3.47 116.57 104.66 3ktj h LYS 84 Ca -0.49 -0.46 -0.55 0.00 -1.87 0.00 0.00 60.65 57.28 3ktj h LYS 84 Cb 1.28 0.17 0.14 0.00 0.08 0.00 0.00 32.23 33.90 3ktj h LYS 84 CO 0.51 1.13 0.58 -2.14 -0.57 0.00 0.00 179.45 178.96 3ktj s PRO 85 N -2.60 2.93 -0.09 3.15 0.02 -1.26 -4.92 135.00 132.24 3ktj s PRO 85 Ca -0.12 2.19 -0.30 0.00 0.02 0.00 0.00 61.00 62.80 3ktj s PRO 85 Cb 0.07 -2.12 -0.02 0.00 0.02 0.00 0.00 34.50 32.45 3ktj s PRO 85 CO 0.84 -1.34 1.09 0.15 -0.33 0.00 0.00 177.00 177.41 3ktj s LYS 86 N -3.07 4.39 -0.48 5.54 1.02 -1.26 -4.85 119.74 121.03 3ktj s LYS 86 Ca 0.75 1.51 -0.16 0.00 0.02 0.00 0.00 55.97 58.10 3ktj s LYS 86 Cb -0.40 -3.55 0.08 0.00 -0.52 0.00 0.00 37.83 33.45 3ktj s LYS 86 CO 0.45 -0.37 0.42 0.08 -0.92 0.00 0.00 175.35 175.01 3ktj s VAL 87 N 2.10 5.22 0.28 3.17 1.01 -1.26 -1.28 120.40 129.64 3ktj s VAL 87 Ca 0.51 -1.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 3ktj s VAL 87 Cb -0.21 -4.16 -0.07 0.00 0.00 0.00 0.00 36.38 31.94 3ktj s VAL 87 CO 0.19 -0.63 0.60 -0.94 0.00 0.00 0.00 175.10 174.32 3ktj s SER 88 N 2.76 6.57 -0.02 3.32 1.04 -0.63 -1.34 113.70 125.39 3ktj s SER 88 Ca 0.04 0.92 0.06 0.00 0.48 0.00 0.00 55.95 57.45 3ktj s SER 88 Cb -0.25 -2.23 -0.01 0.00 0.10 0.00 0.00 66.02 63.63 3ktj s SER 88 CO 0.06 -0.17 -0.21 0.42 0.98 0.00 0.00 173.24 174.33 3ktj s THR 89 N -1.99 1.65 -0.11 2.02 -4.23 -0.92 -1.52 115.64 110.54 3ktj s THR 89 Ca 0.47 -0.88 0.03 0.00 -1.18 0.00 0.00 61.69 60.14 3ktj s THR 89 Cb -0.11 -1.38 0.01 0.00 1.34 0.00 0.00 72.50 72.36 3ktj s THR 89 CO 0.25 0.47 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.97 3ktj s ILE 90 N -0.37 1.80 -0.31 2.99 1.09 -0.95 0.11 121.20 125.57 3ktj s ILE 90 Ca 0.05 -0.85 -0.15 0.00 -1.10 0.00 0.00 60.65 58.59 3ktj s ILE 90 Cb -0.09 -1.59 -0.02 0.00 -1.06 0.00 0.00 42.46 39.69 3ktj s ILE 90 CO 0.00 0.50 0.39 0.00 -0.10 0.00 0.00 174.94 175.73 3ktj s ILE 92 N 2.10 2.31 0.00 0.00 2.07 -0.62 -2.72 121.20 124.35 3ktj s ILE 92 Ca 0.14 -0.90 0.00 0.00 -1.41 0.00 0.00 60.65 58.49 3ktj s ILE 92 Cb -0.16 -1.94 0.00 0.00 0.13 0.00 0.00 42.46 40.49 3ktj s ILE 92 CO 0.11 0.54 0.00 0.61 -1.91 0.00 0.00 174.94 174.29 3ktj n GLY 93 N 4.00 2.03 2.94 1.50 0.00 -1.26 -4.06 105.19 110.33 3ktj n GLY 93 Ca -0.19 0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 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 0.11 -0.31 1.61 -2.45 -1.26 -1.13 119.30 115.86 3ktj s MET 94 Ca 0.00 0.46 0.03 0.00 -1.25 0.00 0.00 55.69 54.92 3ktj s MET 94 Cb 0.00 -0.18 0.09 0.00 1.25 0.00 0.00 34.83 35.99 3ktj s MET 94 CO 0.00 -0.20 0.02 0.00 1.05 0.00 0.00 175.02 175.89 3ktj s ALA 95 N 1.45 2.57 0.18 4.11 0.00 -0.50 -0.89 121.76 128.68 3ktj s ALA 95 Ca -0.07 -2.17 0.10 0.00 0.00 0.00 0.00 51.96 49.82 3ktj s ALA 95 Cb -0.11 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 3ktj s ALA 95 CO -0.07 -1.55 -0.20 0.00 0.00 0.00 0.00 175.76 173.94 3ktj s ALA 96 N 1.08 2.24 0.00 0.00 0.00 -0.83 -2.49 121.76 121.76 3ktj s ALA 96 Ca 0.06 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.45 3ktj s ALA 96 Cb -0.19 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.69 3ktj s ALA 96 CO -0.10 0.31 0.00 0.45 0.00 0.00 0.00 175.76 176.42 3ktj n SER 97 N 0.23 0.00 -0.24 0.00 2.88 -0.54 -1.18 113.62 114.77 3ktj n SER 97 Ca -0.12 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.58 3ktj n SER 97 Cb 0.57 0.00 0.47 0.00 -0.75 0.00 0.00 64.21 64.49 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 0.49 -0.72 -1.46 2.07 -1.89 -0.95 114.93 112.48 3ktj h MET 98 Ca 0.00 -0.03 0.04 0.00 -2.07 0.00 0.00 59.70 57.64 3ktj h MET 98 Cb 0.00 -0.11 -0.05 0.00 -1.87 0.00 0.00 31.60 29.57 3ktj h MET 98 CO 0.00 0.32 0.44 0.78 1.07 0.00 0.00 176.91 179.52 3ktj h GLY 99 N 0.50 1.05 1.16 8.32 0.00 -1.46 0.18 103.07 112.81 3ktj h GLY 99 Ca 0.45 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 3ktj h GLY 99 CO -0.18 0.25 0.33 0.00 0.00 0.00 0.00 176.54 176.94 3ktj h ALA 100 N 1.33 1.18 -0.12 3.60 0.00 -1.20 -1.54 119.26 122.50 3ktj h ALA 100 Ca 0.30 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3ktj h ALA 100 Cb 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3ktj h ALA 100 CO -0.13 0.61 0.02 0.35 0.00 0.00 0.00 179.25 180.09 3ktj h PHE 101 N 1.07 0.03 0.00 0.00 3.57 -0.53 -1.87 116.94 119.20 3ktj h PHE 101 Ca 0.25 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 3ktj h PHE 101 Cb 0.15 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 3ktj h PHE 101 CO 0.01 0.01 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.78 3ktj h LEU 102 N 0.07 0.00 -0.30 0.59 3.38 -0.20 -2.25 115.31 116.58 3ktj h LEU 102 Ca 0.05 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 3ktj h LEU 102 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3ktj h LEU 102 CO -0.08 0.25 -0.44 0.25 0.09 0.00 0.00 178.44 178.52 3ktj h LEU 103 N 0.00 0.91 -1.56 1.67 5.85 -0.98 -2.90 115.31 118.30 3ktj h LEU 103 Ca -0.00 -0.51 -0.04 0.00 0.84 0.00 0.00 57.88 58.17 3ktj h LEU 103 Cb 0.48 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3ktj h LEU 103 CO 0.03 1.24 -0.20 0.00 -0.34 0.00 0.00 178.44 179.17 3ktj h ALA 104 N 0.70 1.23 0.00 1.25 0.00 -0.90 -2.67 119.26 118.87 3ktj h ALA 104 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ktj h ALA 104 Cb 1.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3ktj h ALA 104 CO 0.10 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.61 3ktj n ALA 105 N -2.31 2.28 -0.62 0.00 0.00 -0.89 -4.89 120.51 114.09 3ktj n ALA 105 Ca -0.01 -0.12 -0.29 0.00 0.00 0.00 0.00 53.44 53.01 3ktj n ALA 105 Cb 0.33 -1.40 0.22 0.00 0.00 0.00 0.00 19.45 18.59 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 -2.45 1.60 0.10 0.00 0.00 -1.01 -4.89 107.32 100.68 3ktj s GLY 106 Ca 0.26 0.16 -0.31 0.00 0.00 0.00 0.00 44.72 44.83 3ktj s GLY 106 CO 0.36 0.76 1.86 -2.21 0.00 0.00 0.00 173.10 173.86 3ktj n GLU 107 N -4.63 2.79 -1.67 2.90 4.07 -0.45 -4.87 120.64 118.77 3ktj n GLU 107 Ca 0.07 1.02 -0.48 0.00 -0.06 0.00 0.00 57.16 57.70 3ktj n GLU 107 Cb 0.53 -2.92 -0.05 0.00 -0.06 0.00 0.00 31.44 28.95 3ktj n GLU 107 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3ktj n LYS 108 N 5.96 2.00 -0.02 5.31 4.01 -1.26 -0.08 118.16 134.08 3ktj n LYS 108 Ca 0.18 0.73 0.00 0.00 -0.51 0.00 0.00 58.31 58.71 3ktj n LYS 108 Cb 0.38 -2.51 0.00 0.00 -0.51 0.00 0.00 35.03 32.38 3ktj n LYS 108 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3ktj n GLY 109 N 3.86 0.44 0.56 0.72 0.00 -1.26 -4.90 105.19 104.60 3ktj n GLY 109 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.29 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 1.08 -3.59 1.61 4.76 0.89 -4.89 118.16 116.02 3ktj n LYS 110 Ca 0.00 -2.63 -0.40 0.00 -2.87 0.00 0.00 58.31 52.41 3ktj n LYS 110 Cb 0.00 -1.22 -0.11 0.00 -1.84 0.00 0.00 35.03 31.86 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 -2.29 3.18 0.57 1.97 0.52 -1.23 -2.17 118.95 119.50 3ktj s ARG 111 Ca 0.31 -0.84 0.06 0.00 -0.52 0.00 0.00 55.73 54.74 3ktj s ARG 111 Cb 0.30 -3.71 0.06 0.00 0.52 0.00 0.00 34.95 32.13 3ktj s ARG 111 CO -0.05 -0.54 0.51 0.71 0.02 0.00 0.00 175.30 175.95 3ktj s TYR 112 N 1.62 1.43 -0.17 -0.53 1.51 0.30 0.66 117.35 122.18 3ktj s TYR 112 Ca 0.04 -0.85 -0.31 0.00 -1.01 0.00 0.00 57.07 54.94 3ktj s TYR 112 Cb -0.18 -1.96 0.14 0.00 -0.11 0.00 0.00 41.96 39.85 3ktj s TYR 112 CO 0.08 -0.70 1.10 0.00 -1.11 0.00 0.00 175.55 174.91 3ktj s ALA 113 N -2.78 -1.98 0.16 3.71 0.00 -1.14 -1.91 121.76 117.82 3ktj s ALA 113 Ca 0.39 1.58 -0.00 0.00 0.00 0.00 0.00 51.96 53.93 3ktj s ALA 113 Cb -0.03 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 3ktj s ALA 113 CO 0.25 -0.40 0.33 -0.51 0.00 0.00 0.00 175.76 175.43 3ktj s LEU 114 N -1.49 4.28 0.16 0.00 1.43 -1.10 -0.36 118.68 121.60 3ktj s LEU 114 Ca 0.04 0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.47 3ktj s LEU 114 Cb -0.01 -3.09 0.36 0.00 0.03 0.00 0.00 46.19 43.49 3ktj s LEU 114 CO -0.03 0.03 0.85 -2.65 0.23 0.00 0.00 176.35 174.78 3ktj n PRO 115 N -0.38 -0.04 -0.51 1.29 -0.02 -1.26 -1.13 135.00 132.95 3ktj n PRO 115 Ca -0.05 0.82 0.08 0.00 -2.02 0.00 0.00 63.50 62.33 3ktj n PRO 115 Cb 0.53 -1.28 0.29 0.00 -0.02 0.00 0.00 33.50 33.03 3ktj n PRO 115 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ktj n ASN 116 N -4.72 4.27 -4.69 2.55 4.13 -1.26 -4.54 115.26 110.99 3ktj n ASN 116 Ca 0.12 -2.60 -0.32 0.00 1.68 0.00 0.00 54.58 53.46 3ktj n ASN 116 Cb 0.37 -0.51 0.15 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 -1.23 3.20 0.00 6.41 0.01 -0.28 -4.86 113.70 116.95 3ktj s SER 117 Ca 0.43 2.20 0.04 0.00 1.31 0.00 0.00 55.95 59.93 3ktj s SER 117 Cb 0.30 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.95 3ktj s SER 117 CO 0.17 -2.92 -0.13 -0.70 0.41 0.00 0.00 173.24 170.07 3ktj s GLU 118 N -4.56 1.00 -0.05 12.44 2.12 -0.29 -3.15 118.70 126.22 3ktj s GLU 118 Ca 0.68 -0.53 0.02 0.00 0.36 0.00 0.00 54.97 55.50 3ktj s GLU 118 Cb -0.23 -0.98 0.01 0.00 0.26 0.00 0.00 34.13 33.19 3ktj s GLU 118 CO 0.56 0.26 -0.10 0.08 -0.54 0.00 0.00 175.26 175.52 3ktj s VAL 119 N -0.44 0.93 -0.08 3.70 1.01 0.24 -1.41 120.40 124.35 3ktj s VAL 119 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3ktj s VAL 119 Cb -0.06 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.49 3ktj s VAL 119 CO -0.00 0.30 -0.07 -0.32 0.00 0.00 0.00 175.10 175.01 3ktj s MET 120 N 0.54 1.25 0.13 2.72 0.00 -1.04 0.12 119.30 123.01 3ktj s MET 120 Ca -0.10 -0.20 0.08 0.00 0.00 0.00 0.00 55.69 55.47 3ktj s MET 120 Cb -0.13 -1.26 -0.04 0.00 0.00 0.00 0.00 34.83 33.40 3ktj s MET 120 CO 0.02 -0.15 -0.10 0.96 0.00 0.00 0.00 175.02 175.75 3ktj s ILE 121 N 1.30 3.31 0.00 10.11 -4.36 -0.64 -1.47 121.20 129.46 3ktj s ILE 121 Ca -0.04 -1.39 0.00 0.00 -0.26 0.00 0.00 60.65 58.96 3ktj s ILE 121 Cb -0.14 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 41.00 3ktj s ILE 121 CO -0.03 0.04 0.00 0.00 0.24 0.00 0.00 174.94 175.20 3ktj n HIS 122 N 0.50 -0.39 -4.05 1.37 1.44 -1.26 -1.23 115.22 111.59 3ktj n HIS 122 Ca -0.13 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.32 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 -0.79 3.01 0.67 -1.40 -2.07 -0.91 -4.89 119.66 113.29 3ktj s GLN 123 Ca 0.00 -0.81 -0.17 0.00 -1.82 0.00 0.00 55.36 52.56 3ktj s GLN 123 Cb 0.00 -2.71 -0.04 0.00 -1.09 0.00 0.00 33.01 29.17 3ktj s GLN 123 CO 0.00 0.49 0.68 -2.30 -1.32 0.00 0.00 175.29 172.84 3ktj n PRO 124 N -0.38 0.47 -4.52 9.60 -0.02 -1.26 -5.03 135.00 133.85 3ktj n PRO 124 Ca -0.08 0.20 -0.29 0.00 -2.02 0.00 0.00 63.50 61.32 3ktj n PRO 124 Cb 0.55 -1.93 -0.13 0.00 -0.02 0.00 0.00 33.50 31.96 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 -0.89 2.27 0.00 2.45 1.02 -1.26 -5.10 118.68 117.17 3ktj s LEU 125 Ca 0.69 -0.69 0.00 0.00 0.02 0.00 0.00 54.13 54.15 3ktj s LEU 125 Cb -0.38 -1.19 0.00 0.00 0.02 0.00 0.00 46.19 44.64 3ktj s LEU 125 CO 0.54 0.19 0.00 0.61 0.02 0.00 0.00 176.35 177.71 3ktj n GLY 126 N 1.19 2.47 3.63 -3.19 0.00 -1.26 -5.11 105.19 102.93 3ktj n GLY 126 Ca -0.18 -0.54 -0.02 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.14 -0.24 0.04 -0.02 0.00 -1.26 -5.18 107.32 100.51 3ktj s GLY 127 Ca 0.00 1.79 -0.14 0.00 0.00 0.00 0.00 44.72 46.37 3ktj s GLY 127 CO 0.00 0.59 0.30 0.00 0.00 0.00 0.00 173.10 173.99 3ktj s ALA 128 N -2.09 -0.69 0.07 3.20 0.00 -1.26 -4.99 121.76 116.00 3ktj s ALA 128 Ca 0.12 0.05 -0.09 0.00 0.00 0.00 0.00 51.96 52.04 3ktj s ALA 128 Cb -0.00 0.29 -0.00 0.00 0.00 0.00 0.00 23.12 23.40 3ktj s ALA 128 CO -0.03 -0.39 0.18 -1.14 0.00 0.00 0.00 175.76 174.38 3ktj s GLN 129 N -2.38 0.79 0.00 0.00 2.00 -1.26 -5.00 119.66 113.80 3ktj s GLN 129 Ca -0.06 -0.88 0.00 0.00 -2.00 0.00 0.00 55.36 52.42 3ktj s GLN 129 Cb -0.01 0.32 0.00 0.00 0.80 0.00 0.00 33.01 34.12 3ktj s GLN 129 CO -0.02 -0.24 0.00 0.41 -0.50 0.00 0.00 175.29 174.94 3ktj n GLY 130 N 0.15 -0.21 3.75 2.59 0.00 -1.26 -4.52 105.19 105.69 3ktj n GLY 130 Ca -0.16 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.57 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 0.00 2.48 0.21 1.61 -0.21 -1.26 -4.82 119.66 117.68 3ktj s GLN 131 Ca 0.00 1.46 -0.17 0.00 0.02 0.00 0.00 55.36 56.67 3ktj s GLN 131 Cb 0.00 -1.90 0.22 0.00 1.00 0.00 0.00 33.01 32.32 3ktj s GLN 131 CO 0.00 -1.51 1.58 0.00 -2.12 0.00 0.00 175.29 173.24 3ktj h ALA 132 N -0.28 0.18 -1.00 6.09 0.00 -2.00 -0.46 119.26 121.79 3ktj h ALA 132 Ca -0.46 0.23 0.18 0.00 0.00 0.00 0.00 54.91 54.86 3ktj h ALA 132 Cb 1.26 0.77 -0.10 0.00 0.00 0.00 0.00 17.79 19.71 3ktj h ALA 132 CO 0.52 -0.58 0.61 1.15 0.00 0.00 0.00 179.25 180.95 3ktj h THR 133 N -0.08 0.73 -0.50 0.00 2.02 -1.99 -1.01 112.91 112.08 3ktj h THR 133 Ca 0.30 -0.27 -0.12 0.00 0.77 0.00 0.00 66.41 67.09 3ktj h THR 133 Cb 0.57 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 3ktj h THR 133 CO -0.79 0.14 -0.17 -0.33 0.37 0.00 0.00 175.52 174.75 3ktj h GLU 134 N 0.79 1.00 -0.26 6.66 5.08 -1.42 -2.55 114.58 123.88 3ktj h GLU 134 Ca 0.57 -0.40 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 3ktj h GLU 134 Cb 0.85 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3ktj h GLU 134 CO -0.37 1.08 -0.26 0.82 -1.00 0.00 0.00 179.01 179.28 3ktj h ILE 135 N 0.86 1.27 -0.79 3.13 2.04 -1.02 -2.76 117.51 120.23 3ktj h ILE 135 Ca 0.12 -1.30 -0.03 0.00 1.00 0.00 0.00 64.86 64.64 3ktj h ILE 135 Cb 0.74 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 3ktj h ILE 135 CO 0.06 0.42 0.36 -0.08 0.00 0.00 0.00 178.15 178.91 3ktj h GLU 136 N 0.45 1.15 -0.09 2.37 4.81 -0.96 -1.98 114.58 120.33 3ktj h GLU 136 Ca 0.06 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 3ktj h GLU 136 Cb 0.70 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 3ktj h GLU 136 CO 0.05 0.89 0.00 0.82 -0.73 0.00 0.00 179.01 180.05 3ktj h ILE 137 N 1.13 1.25 -0.21 2.32 2.04 -1.18 -2.63 117.51 120.23 3ktj h ILE 137 Ca 0.27 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 3ktj h ILE 137 Cb 0.14 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 3ktj h ILE 137 CO -0.03 0.22 0.12 0.00 0.00 0.00 0.00 178.15 178.46 3ktj h ALA 138 N 0.74 0.27 -0.70 1.87 0.00 -1.45 -2.17 119.26 117.82 3ktj h ALA 138 Ca 0.03 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.04 3ktj h ALA 138 Cb 0.34 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 17.94 3ktj h ALA 138 CO 0.00 -0.21 0.12 0.00 0.00 0.00 0.00 179.25 179.17 3ktj h ALA 139 N 1.02 0.85 -0.73 0.00 0.00 -1.38 -1.13 119.26 117.89 3ktj h ALA 139 Ca 0.08 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3ktj h ALA 139 Cb 0.05 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3ktj h ALA 139 CO -0.01 -0.36 0.45 0.87 0.00 0.00 0.00 179.25 180.20 3ktj h LYS 140 N 0.22 0.98 0.23 0.00 1.57 -1.03 -1.88 116.57 116.65 3ktj h LYS 140 Ca 0.39 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 3ktj h LYS 140 Cb 0.66 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3ktj h LYS 140 CO -0.52 0.68 -0.11 -0.09 -0.57 0.00 0.00 179.45 178.84 3ktj h ARG 141 N 0.99 -0.30 0.00 3.15 2.43 -0.63 -1.41 114.38 118.61 3ktj h ARG 141 Ca 0.26 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.39 3ktj h ARG 141 Cb -0.06 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3ktj h ARG 141 CO -0.05 -0.10 -0.31 0.97 -1.51 0.00 0.00 179.97 178.97 3ktj h ILE 142 N -0.44 1.10 -0.16 1.20 2.10 -1.30 0.35 117.51 120.35 3ktj h ILE 142 Ca -0.03 -1.11 -0.19 0.00 1.08 0.00 0.00 64.86 64.61 3ktj h ILE 142 Cb 0.34 1.62 0.01 0.00 -1.09 0.00 0.00 36.82 37.69 3ktj h ILE 142 CO 0.05 0.30 -0.65 -0.07 -1.08 0.00 0.00 178.15 176.71 3ktj h LEU 143 N 0.00 0.86 -0.72 2.19 3.38 -1.30 -2.32 115.31 117.40 3ktj h LEU 143 Ca -0.00 -0.61 0.01 0.00 0.09 0.00 0.00 57.88 57.36 3ktj h LEU 143 Cb 0.59 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 3ktj h LEU 143 CO 0.04 1.32 0.47 -0.07 0.09 0.00 0.00 178.44 180.30 3ktj h LEU 144 N 0.44 0.82 -0.63 1.67 3.38 -0.57 -2.51 115.31 117.91 3ktj h LEU 144 Ca -0.03 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 3ktj h LEU 144 Cb 1.28 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3ktj h LEU 144 CO 0.14 0.59 0.09 -0.07 0.09 0.00 0.00 178.44 179.28 3ktj h LEU 145 N 0.97 1.01 -1.18 1.67 3.38 -0.92 -2.35 115.31 117.89 3ktj h LEU 145 Ca 0.27 -0.27 0.10 0.00 0.09 0.00 0.00 57.88 58.07 3ktj h LEU 145 Cb -0.10 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.32 3ktj h LEU 145 CO -0.06 1.02 0.58 -0.09 0.09 0.00 0.00 178.44 179.98 3ktj h ARG 146 N 0.96 0.88 0.46 1.13 1.12 -1.09 -1.91 114.38 115.91 3ktj h ARG 146 Ca 0.19 -0.05 -0.02 0.00 -1.11 0.00 0.00 59.98 58.98 3ktj h ARG 146 Cb 0.45 -0.20 0.00 0.00 -0.01 0.00 0.00 29.97 30.21 3ktj h ARG 146 CO 0.01 0.58 -0.22 -0.44 -3.11 0.00 0.00 179.97 176.80 3ktj h ASP 147 N 0.91 -0.52 -0.90 -3.80 5.19 -1.01 -2.04 116.42 114.24 3ktj h ASP 147 Ca 0.42 -0.08 0.13 0.00 -0.62 0.00 0.00 57.03 56.88 3ktj h ASP 147 Cb 0.40 0.13 -0.09 0.00 0.18 0.00 0.00 39.33 39.96 3ktj h ASP 147 CO -0.18 -0.21 0.52 0.50 -3.12 0.00 0.00 179.24 176.75 3ktj h LYS 148 N -0.84 0.77 -0.03 3.56 3.64 -1.17 -1.94 116.57 120.57 3ktj h LYS 148 Ca -0.06 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 3ktj h LYS 148 Cb 0.56 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3ktj h LYS 148 CO 0.10 0.51 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.72 3ktj h LEU 149 N 0.80 0.07 -1.26 5.20 3.38 -1.33 -2.92 115.31 119.24 3ktj h LEU 149 Ca 0.47 -0.37 0.06 0.00 0.09 0.00 0.00 57.88 58.13 3ktj h LEU 149 Cb 0.55 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 3ktj h LEU 149 CO -0.30 0.42 0.53 0.78 0.09 0.00 0.00 178.44 179.96 3ktj h ASN 150 N -0.29 0.79 -0.28 -0.43 2.35 -1.03 -2.48 115.58 114.21 3ktj h ASN 150 Ca 0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3ktj h ASN 150 Cb 0.39 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3ktj h ASN 150 CO 0.00 0.51 0.12 0.11 -1.65 0.00 0.00 177.43 176.53 3ktj h LYS 151 N 0.90 0.41 -0.91 0.81 1.57 -1.29 -1.30 116.57 116.77 3ktj h LYS 151 Ca 0.34 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.05 3ktj h LYS 151 Cb 0.20 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 3ktj h LYS 151 CO -0.12 0.42 0.54 0.28 -0.57 0.00 0.00 179.45 180.00 3ktj h VAL 152 N 0.30 1.25 -0.70 0.50 2.07 -1.27 -1.50 116.25 116.89 3ktj h VAL 152 Ca 0.09 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 3ktj h VAL 152 Cb 0.16 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 3ktj h VAL 152 CO -0.01 0.27 0.29 -0.07 0.02 0.00 0.00 177.57 178.06 3ktj h LEU 153 N 1.25 0.95 0.13 2.57 3.38 -1.21 0.23 115.31 122.62 3ktj h LEU 153 Ca 0.32 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3ktj h LEU 153 Cb -0.04 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3ktj h LEU 153 CO -0.06 0.84 -0.13 0.00 0.09 0.00 0.00 178.44 179.18 3ktj h ALA 154 N 1.29 -0.26 -0.62 1.53 0.00 -0.29 0.99 119.26 121.91 3ktj h ALA 154 Ca 0.24 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3ktj h ALA 154 Cb 0.19 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3ktj h ALA 154 CO -0.02 -0.66 0.20 0.93 0.00 0.00 0.00 179.25 179.70 3ktj h GLU 155 N -0.29 0.96 -0.23 0.00 5.08 -0.89 0.30 114.58 119.52 3ktj h GLU 155 Ca 0.00 -0.20 -0.19 0.00 -1.00 0.00 0.00 59.36 57.97 3ktj h GLU 155 Cb 0.27 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3ktj h GLU 155 CO -0.03 0.84 -0.60 0.00 -1.00 0.00 0.00 179.01 178.22 3ktj h ARG 156 N 0.89 0.77 0.08 2.33 2.47 -0.83 -3.33 114.38 116.75 3ktj h ARG 156 Ca 0.20 -0.52 -0.20 0.00 -1.26 0.00 0.00 59.98 58.20 3ktj h ARG 156 Cb 0.27 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.67 3ktj h ARG 156 CO -0.01 1.15 -0.99 1.79 0.56 0.00 0.00 179.97 182.47 3ktj h THR 157 N 0.58 1.25 0.00 2.04 1.35 -0.78 -3.48 112.91 113.87 3ktj h THR 157 Ca -0.00 -2.38 0.00 0.00 -0.55 0.00 0.00 66.41 63.48 3ktj h THR 157 Cb 1.20 2.86 0.00 0.00 -1.73 0.00 0.00 68.15 70.48 3ktj h THR 157 CO 0.13 0.62 0.00 0.61 -0.25 0.00 0.00 175.52 176.62 3ktj n GLY 158 N 1.65 1.48 3.77 5.82 0.00 0.11 -4.72 105.19 113.30 3ktj n GLY 158 Ca -0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.13 2.47 0.33 1.61 -1.52 -1.19 -4.96 119.66 116.26 3ktj s GLN 159 Ca 0.00 1.23 -0.24 0.00 -1.95 0.00 0.00 55.36 54.41 3ktj s GLN 159 Cb 0.00 -1.92 -0.10 0.00 -0.22 0.00 0.00 33.01 30.77 3ktj s GLN 159 CO 0.00 -1.49 0.91 -1.25 -0.25 0.00 0.00 175.29 173.21 3ktj s PRO 160 N -4.63 4.44 0.30 2.91 0.04 -1.26 -4.58 135.00 132.22 3ktj s PRO 160 Ca 0.63 1.19 0.03 0.00 0.04 0.00 0.00 61.00 62.89 3ktj s PRO 160 Cb -0.18 -2.67 0.75 0.00 0.04 0.00 0.00 34.50 32.45 3ktj s PRO 160 CO 0.51 0.23 1.62 1.25 0.04 0.00 0.00 177.00 180.64 3ktj h LEU 161 N 2.90 -0.13 -0.72 -3.56 5.85 -1.93 -0.24 115.31 117.48 3ktj h LEU 161 Ca -0.47 0.23 0.11 0.00 0.84 0.00 0.00 57.88 58.58 3ktj h LEU 161 Cb 1.19 0.33 -0.08 0.00 0.37 0.00 0.00 40.66 42.47 3ktj h LEU 161 CO 0.64 -0.24 0.32 -0.08 -0.34 0.00 0.00 178.44 178.75 3ktj h GLU 162 N 0.13 0.51 -0.41 1.25 4.57 -1.98 0.13 114.58 118.77 3ktj h GLU 162 Ca 0.58 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.66 3ktj h GLU 162 Cb 1.21 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.67 3ktj h GLU 162 CO -0.74 0.34 -0.00 0.28 -1.18 0.00 0.00 179.01 177.70 3ktj h VAL 163 N 0.53 1.26 -0.26 0.32 2.07 -1.43 -1.99 116.25 116.75 3ktj h VAL 163 Ca 0.37 -1.03 -0.08 0.00 0.82 0.00 0.00 66.70 66.78 3ktj h VAL 163 Cb 0.47 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3ktj h VAL 163 CO -0.32 0.35 -0.19 0.40 0.02 0.00 0.00 177.57 177.82 3ktj h ILE 164 N 0.56 1.25 -0.34 4.57 1.08 -1.05 -1.46 117.51 122.12 3ktj h ILE 164 Ca 0.12 -1.14 -0.03 0.00 -0.39 0.00 0.00 64.86 63.42 3ktj h ILE 164 Cb 0.49 1.26 -0.01 0.00 -3.07 0.00 0.00 36.82 35.48 3ktj h ILE 164 CO 0.02 0.37 0.09 -0.08 -0.69 0.00 0.00 178.15 177.86 3ktj h GLU 165 N 0.43 0.53 -0.16 2.37 4.81 -0.51 -3.02 114.58 119.04 3ktj h GLU 165 Ca 0.07 -0.12 -0.20 0.00 -0.13 0.00 0.00 59.36 58.98 3ktj h GLU 165 Cb 0.58 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.89 3ktj h GLU 165 CO 0.04 0.58 -0.69 -0.09 -0.73 0.00 0.00 179.01 178.11 3ktj h ARG 166 N 0.39 0.66 0.00 1.92 2.43 -1.25 -3.28 114.38 115.24 3ktj h ARG 166 Ca 0.11 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3ktj h ARG 166 Cb 0.28 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3ktj h ARG 166 CO -0.00 1.11 0.00 -0.25 -1.51 0.00 0.00 179.97 179.32 3ktj n ASP 167 N -3.92 0.06 -0.40 -3.80 8.00 -0.56 -3.24 116.55 112.70 3ktj n ASP 167 Ca -0.05 0.51 0.09 0.00 0.71 0.00 0.00 54.79 56.05 3ktj n ASP 167 Cb 0.70 -0.53 0.19 0.00 -0.02 0.00 0.00 41.12 41.46 3ktj n ASP 167 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3ktj n THR 168 N -1.56 2.05 0.18 -3.53 -2.24 -1.14 -4.61 114.28 103.43 3ktj n THR 168 Ca 0.04 -2.13 0.03 0.00 -2.27 0.00 0.00 64.05 59.72 3ktj n THR 168 Cb 0.22 -0.25 0.35 0.00 -2.10 0.00 0.00 70.33 68.55 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 0.70 0.00 -5.48 3.42 1.82 -1.67 -2.41 116.42 112.81 3ktj h ASP 169 Ca 0.00 0.00 -0.19 0.00 -0.39 0.00 0.00 57.03 56.45 3ktj h ASP 169 Cb 1.18 0.00 -0.14 0.00 0.68 0.00 0.00 39.33 41.05 3ktj h ASP 169 CO 0.09 0.40 -0.53 -0.13 -1.61 0.00 0.00 179.24 177.46 3ktj s ARG 170 N -3.93 1.19 0.16 0.28 3.00 -1.26 -4.79 118.95 113.60 3ktj s ARG 170 Ca -0.02 -1.49 -0.34 0.00 0.00 0.00 0.00 55.73 53.88 3ktj s ARG 170 Cb 0.13 0.30 -0.15 0.00 0.00 0.00 0.00 34.95 35.23 3ktj s ARG 170 CO 0.71 -0.40 1.37 -0.25 0.00 0.00 0.00 175.30 176.73 3ktj n ASP 171 N -0.24 2.18 -3.76 0.23 8.00 -1.26 -4.63 116.55 117.06 3ktj n ASP 171 Ca -0.01 1.12 -0.30 0.00 0.71 0.00 0.00 54.79 56.31 3ktj n ASP 171 Cb 0.65 -1.31 -0.15 0.00 -0.02 0.00 0.00 41.12 40.29 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 0.44 4.04 -0.03 -2.24 3.04 -0.36 -5.00 114.94 114.83 3ktj s ASN 172 Ca 0.77 -1.91 -0.22 0.00 0.04 0.00 0.00 52.86 51.54 3ktj s ASN 172 Cb -0.80 -0.99 -0.05 0.00 -1.54 0.00 0.00 41.25 37.88 3ktj s ASN 172 CO 0.46 -0.38 0.67 -0.36 -3.04 0.00 0.00 177.10 174.45 3ktj s PHE 173 N 1.27 3.64 -0.01 0.43 0.08 -1.26 -1.61 117.98 120.52 3ktj s PHE 173 Ca 0.12 1.26 0.01 0.00 0.12 0.00 0.00 56.93 58.44 3ktj s PHE 173 Cb -0.19 -2.73 -0.00 0.00 -0.57 0.00 0.00 43.02 39.53 3ktj s PHE 173 CO -0.18 0.22 -0.05 0.15 -0.10 0.00 0.00 175.22 175.26 3ktj s LYS 174 N 0.29 0.43 0.94 0.44 1.02 0.32 -4.98 119.74 118.20 3ktj s LYS 174 Ca 0.35 -0.17 -0.14 0.00 0.02 0.00 0.00 55.97 56.03 3ktj s LYS 174 Cb -0.18 -0.43 0.16 0.00 -0.52 0.00 0.00 37.83 36.87 3ktj s LYS 174 CO 0.18 0.09 1.22 -1.54 -0.92 0.00 0.00 175.35 174.38 3ktj s SER 175 N -0.01 3.30 0.26 2.83 1.04 -1.26 -0.59 113.70 119.26 3ktj s SER 175 Ca 0.01 0.61 -0.03 0.00 0.48 0.00 0.00 55.95 57.02 3ktj s SER 175 Cb -0.03 -0.92 0.43 0.00 0.10 0.00 0.00 66.02 65.60 3ktj s SER 175 CO -0.00 -2.65 1.83 0.00 0.98 0.00 0.00 173.24 173.40 3ktj h ALA 176 N -1.57 1.28 -0.43 5.32 0.00 -1.78 0.41 119.26 122.49 3ktj h ALA 176 Ca -0.46 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 3ktj h ALA 176 Cb 1.29 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3ktj h ALA 176 CO 0.51 0.19 -0.14 0.93 0.00 0.00 0.00 179.25 180.74 3ktj h GLU 177 N 0.91 0.85 -0.50 0.00 4.39 -1.92 -1.95 114.58 116.36 3ktj h GLU 177 Ca 0.42 -0.34 -0.08 0.00 0.34 0.00 0.00 59.36 59.71 3ktj h GLU 177 Cb 0.35 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 3ktj h GLU 177 CO -0.23 0.97 -0.00 0.93 -1.16 0.00 0.00 179.01 179.52 3ktj h GLU 178 N 0.67 0.83 -0.13 2.33 5.08 -1.52 -2.07 114.58 119.77 3ktj h GLU 178 Ca 0.10 -0.23 -0.13 0.00 -1.00 0.00 0.00 59.36 58.10 3ktj h GLU 178 Cb 0.68 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3ktj h GLU 178 CO 0.05 0.84 -0.49 0.00 -1.00 0.00 0.00 179.01 178.40 3ktj h ALA 179 N 1.22 0.91 -0.33 3.43 0.00 -0.12 -1.65 119.26 122.72 3ktj h ALA 179 Ca 0.15 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 3ktj h ALA 179 Cb 0.47 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3ktj h ALA 179 CO 0.02 0.66 -0.31 1.25 0.00 0.00 0.00 179.25 180.88 3ktj h LEU 180 N 0.28 0.84 -0.96 0.00 5.85 -1.17 0.19 115.31 120.33 3ktj h LEU 180 Ca 0.01 -0.46 -0.05 0.00 0.84 0.00 0.00 57.88 58.22 3ktj h LEU 180 Cb 0.97 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3ktj h LEU 180 CO 0.08 1.13 -0.24 -0.33 -0.34 0.00 0.00 178.44 178.74 3ktj h GLU 181 N 0.56 0.00 -0.00 1.25 5.08 -1.30 -2.57 114.58 117.60 3ktj h GLU 181 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3ktj h GLU 181 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 3ktj h GLU 181 CO 0.08 0.24 -0.41 0.98 -1.00 0.00 0.00 179.01 178.89 3ktj n TYR 182 N -3.35 0.00 -0.52 4.33 9.36 -0.63 -4.96 117.16 121.39 3ktj n TYR 182 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3ktj n TYR 182 Cb 0.46 -0.24 0.00 0.00 -0.63 0.00 0.00 39.34 38.93 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 1.46 0.69 0.07 2.98 0.00 -0.76 -4.79 105.19 104.85 3ktj n GLY 183 Ca 0.07 -0.47 -0.06 0.00 0.00 0.00 0.00 46.02 45.56 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 -9.11 0.99 3.38 -0.88 -3.38 115.31 106.30 3ktj h LEU 184 Ca 0.00 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 3ktj h LEU 184 Cb 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.61 3ktj h LEU 184 CO 0.00 0.94 -0.58 0.27 0.09 0.00 0.00 178.44 179.15 3ktj s ILE 185 N -2.71 0.72 -0.19 1.22 -4.36 -1.23 -4.17 121.20 110.49 3ktj s ILE 185 Ca -0.01 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.37 3ktj s ILE 185 Cb 0.09 -2.61 -0.11 0.00 1.25 0.00 0.00 42.46 41.07 3ktj s ILE 185 CO 0.81 0.00 -0.20 0.47 0.24 0.00 0.00 174.94 176.27 3ktj n ASP 186 N -0.77 2.21 -3.91 4.36 8.00 0.21 -4.57 116.55 122.08 3ktj n ASP 186 Ca -0.02 -0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.38 3ktj n ASP 186 Cb 0.66 -0.39 -0.10 0.00 -0.02 0.00 0.00 41.12 41.28 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 -2.38 0.53 -0.16 -1.24 2.20 -1.02 -5.02 119.74 112.65 3ktj s LYS 187 Ca -0.26 -0.60 -0.07 0.00 -0.36 0.00 0.00 55.97 54.67 3ktj s LYS 187 Cb 0.08 0.21 -0.04 0.00 -1.51 0.00 0.00 37.83 36.57 3ktj s LYS 187 CO 0.41 -0.13 0.09 0.42 -0.36 0.00 0.00 175.35 175.79 3ktj s ILE 188 N -2.03 5.06 -0.26 5.43 1.01 -1.26 -2.87 121.20 126.27 3ktj s ILE 188 Ca -0.10 0.05 -0.23 0.00 0.00 0.00 0.00 60.65 60.38 3ktj s ILE 188 Cb -0.04 -3.26 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 3ktj s ILE 188 CO -0.02 0.50 0.74 -0.76 0.00 0.00 0.00 174.94 175.41 3ktj s LEU 189 N -0.05 4.08 0.00 2.97 1.43 0.51 -4.94 118.68 122.68 3ktj s LEU 189 Ca 0.08 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 3ktj s LEU 189 Cb -0.12 -3.03 0.00 0.00 0.03 0.00 0.00 46.19 43.07 3ktj s LEU 189 CO 0.01 -0.48 0.00 0.35 0.23 0.00 0.00 176.35 176.45 3ktj n THR 190 N 5.30 0.00 -0.06 5.49 -2.24 -1.26 -4.10 114.28 117.41 3ktj n THR 190 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3ktj n THR 190 Cb 0.48 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 3ktj n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50