#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ktk h ILE 19 N 0.00 1.25 -0.28 5.18 6.09 -2.06 -2.33 117.51 125.35 3ktk h ILE 19 Ca 0.00 -0.53 -0.19 0.00 -1.37 0.00 0.00 64.86 62.77 3ktk h ILE 19 Cb 0.00 -0.02 0.00 0.00 0.47 0.00 0.00 36.82 37.27 3ktk h ILE 19 CO 0.00 0.26 -0.56 1.88 -3.07 0.00 0.00 178.15 176.66 3ktk h TYR 20 N 1.23 1.10 0.00 2.19 0.05 -1.99 -2.64 116.97 116.91 3ktk h TYR 20 Ca 0.32 -0.39 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 3ktk h TYR 20 Cb -0.05 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 37.48 3ktk h TYR 20 CO 0.01 1.23 -0.03 1.03 -1.05 0.00 0.00 178.16 179.34 3ktk h SER 21 N 0.67 0.00 -0.27 3.88 0.87 -1.91 0.29 113.55 117.07 3ktk h SER 21 Ca 0.01 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.40 3ktk h SER 21 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 3ktk h SER 21 CO 0.12 0.03 -0.51 -0.09 -0.53 0.00 0.00 176.83 175.85 3ktk h ARG 22 N 0.00 0.83 -0.37 2.24 9.65 -1.13 -2.60 114.38 123.00 3ktk h ARG 22 Ca -0.00 -0.52 -0.07 0.00 -1.10 0.00 0.00 59.98 58.28 3ktk h ARG 22 Cb 0.05 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.67 3ktk h ARG 22 CO 0.00 1.16 -0.07 -0.07 2.80 0.00 0.00 179.97 183.79 3ktk h LEU 23 N 0.60 0.60 -1.18 3.80 3.38 -0.71 -2.30 115.31 119.50 3ktk h LEU 23 Ca 0.01 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 3ktk h LEU 23 Cb 1.12 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 3ktk h LEU 23 CO 0.11 0.72 -0.10 0.25 0.09 0.00 0.00 178.44 179.51 3ktk h LEU 24 N 0.58 0.43 -2.34 1.67 5.85 -0.89 -0.48 115.31 120.12 3ktk h LEU 24 Ca 0.11 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3ktk h LEU 24 Cb 0.48 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 3ktk h LEU 24 CO 0.03 0.57 -0.04 0.11 -0.34 0.00 0.00 178.44 178.76 3ktk h LYS 25 N 0.42 0.00 -0.47 1.25 6.56 -1.02 -1.27 116.57 122.03 3ktk h LYS 25 Ca 0.08 0.00 -0.19 0.00 -1.06 0.00 0.00 60.65 59.48 3ktk h LYS 25 Cb 0.44 0.00 -0.11 0.00 -0.57 0.00 0.00 32.23 31.99 3ktk h LYS 25 CO 0.02 0.04 0.09 -0.25 -2.06 0.00 0.00 179.45 177.30 3ktk n ASP 26 N -3.52 3.32 -3.52 0.86 8.00 -0.44 -4.96 116.55 116.30 3ktk n ASP 26 Ca -0.02 -3.49 -0.20 0.00 0.71 0.00 0.00 54.79 51.78 3ktk n ASP 26 Cb 0.15 -0.66 0.08 0.00 -0.02 0.00 0.00 41.12 40.67 3ktk n ASP 26 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3ktk n ARG 27 N -0.85 -7.03 -4.00 -1.24 1.74 -0.48 -4.90 116.66 99.90 3ktk n ARG 27 Ca 0.35 0.83 -0.29 0.00 -0.77 0.00 0.00 57.85 57.97 3ktk n ARG 27 Cb 1.14 -5.84 -0.17 0.00 -1.02 0.00 0.00 32.46 26.58 3ktk n ARG 27 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3ktk s ILE 28 N -3.36 1.43 -0.12 0.55 1.01 -0.32 -1.10 121.20 119.29 3ktk s ILE 28 Ca 0.23 -0.54 -0.04 0.00 0.00 0.00 0.00 60.65 60.30 3ktk s ILE 28 Cb -0.10 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 3ktk s ILE 28 CO 0.74 0.43 0.02 -0.63 0.00 0.00 0.00 174.94 175.50 3ktk s ILE 29 N 1.53 4.46 -0.31 2.92 1.01 0.56 -3.27 121.20 128.10 3ktk s ILE 29 Ca 0.05 -0.18 -0.09 0.00 0.00 0.00 0.00 60.65 60.43 3ktk s ILE 29 Cb -0.13 -2.93 -0.00 0.00 0.01 0.00 0.00 42.46 39.41 3ktk s ILE 29 CO -0.10 0.56 0.13 -0.04 0.00 0.00 0.00 174.94 175.49 3ktk s MET 30 N -0.41 3.26 -0.85 2.79 -1.94 -1.26 -0.44 119.30 120.45 3ktk s MET 30 Ca 0.08 -0.77 -0.08 0.00 -1.71 0.00 0.00 55.69 53.22 3ktk s MET 30 Cb -0.12 -3.51 0.22 0.00 2.01 0.00 0.00 34.83 33.43 3ktk s MET 30 CO 0.02 -0.43 0.76 -1.17 -0.01 0.00 0.00 175.02 174.19 3ktk s LEU 31 N 1.58 6.08 -0.32 -0.03 2.96 0.19 -4.89 118.68 124.24 3ktk s LEU 31 Ca 0.04 -3.11 0.08 0.00 -0.22 0.00 0.00 54.13 50.92 3ktk s LEU 31 Cb -0.17 -2.07 0.45 0.00 0.50 0.00 0.00 46.19 44.91 3ktk s LEU 31 CO 0.05 -0.39 1.16 0.61 -1.32 0.00 0.00 176.35 176.46 3ktk n GLY 32 N 3.28 5.91 3.61 7.98 0.00 -1.26 -1.49 105.19 123.22 3ktk n GLY 32 Ca 0.16 -2.56 -0.09 0.00 0.00 0.00 0.00 46.02 43.53 3ktk n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ktk s SER 33 N -3.59 -0.31 0.73 1.61 1.04 -1.24 -4.87 113.70 107.08 3ktk s SER 33 Ca 0.48 -0.46 -0.16 0.00 0.48 0.00 0.00 55.95 56.29 3ktk s SER 33 Cb 0.40 0.63 0.00 0.00 0.10 0.00 0.00 66.02 67.15 3ktk s SER 33 CO -0.02 -1.13 0.89 0.00 0.98 0.00 0.00 173.24 173.96 3ktk n ALA 34 N -0.39 -0.51 -2.55 5.32 0.00 -1.26 -4.59 120.51 116.53 3ktk n ALA 34 Ca -0.09 -0.21 -0.42 0.00 0.00 0.00 0.00 53.44 52.72 3ktk n ALA 34 Cb 0.62 -2.07 -0.08 0.00 0.00 0.00 0.00 19.45 17.92 3ktk n ALA 34 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ktk s ILE 35 N -1.87 4.98 0.36 0.00 1.01 0.20 -4.88 121.20 121.01 3ktk s ILE 35 Ca 0.71 0.26 0.03 0.00 0.00 0.00 0.00 60.65 61.66 3ktk s ILE 35 Cb -0.34 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.07 3ktk s ILE 35 CO 0.52 -0.30 0.08 1.51 0.00 0.00 0.00 174.94 176.75 3ktk s ASP 36 N 1.81 2.53 0.32 3.58 -4.77 -1.26 -0.66 116.67 118.21 3ktk s ASP 36 Ca 0.19 -1.50 0.07 0.00 -3.30 0.00 0.00 52.55 48.01 3ktk s ASP 36 Cb -0.15 0.18 0.76 0.00 -1.09 0.00 0.00 42.92 42.61 3ktk s ASP 36 CO 0.14 -0.75 1.80 0.44 0.70 0.00 0.00 175.17 177.51 3ktk h ASP 37 N 1.98 0.75 0.43 2.11 3.45 -1.96 0.68 116.42 123.86 3ktk h ASP 37 Ca -0.39 0.08 -0.02 0.00 0.43 0.00 0.00 57.03 57.13 3ktk h ASP 37 Cb 1.26 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 3ktk h ASP 37 CO 0.64 0.30 -0.21 0.78 -1.57 0.00 0.00 179.24 179.19 3ktk h ASN 38 N 0.75 -0.49 -0.33 6.45 2.35 -1.99 0.11 115.58 122.43 3ktk h ASN 38 Ca 0.55 -0.04 0.05 0.00 -0.55 0.00 0.00 56.30 56.31 3ktk h ASN 38 Cb 0.86 0.13 -0.05 0.00 0.05 0.00 0.00 38.32 39.31 3ktk h ASN 38 CO -0.32 -0.27 0.06 0.58 -1.65 0.00 0.00 177.43 175.82 3ktk h VAL 39 N -0.69 0.82 -0.53 2.81 2.07 -1.74 -1.68 116.25 117.32 3ktk h VAL 39 Ca -0.06 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.45 3ktk h VAL 39 Cb 0.50 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3ktk h VAL 39 CO 0.10 0.03 0.28 0.00 0.02 0.00 0.00 177.57 178.00 3ktk h ALA 40 N 1.26 0.68 -0.29 1.67 0.00 -0.75 -0.75 119.26 121.08 3ktk h ALA 40 Ca 0.16 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3ktk h ALA 40 Cb 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3ktk h ALA 40 CO -0.22 -0.06 -0.13 -0.91 0.00 0.00 0.00 179.25 177.94 3ktk h ASN 41 N 0.54 0.48 0.04 0.00 2.35 -0.32 -1.12 115.58 117.55 3ktk h ASN 41 Ca 0.23 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3ktk h ASN 41 Cb 0.12 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3ktk h ASN 41 CO -0.15 0.64 -0.02 -1.28 -1.65 0.00 0.00 177.43 174.97 3ktk h SER 42 N 0.45 -0.05 -0.48 5.81 0.87 -0.70 -1.02 113.55 118.43 3ktk h SER 42 Ca 0.08 -0.34 0.04 0.00 -1.23 0.00 0.00 61.79 60.34 3ktk h SER 42 Cb 0.50 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.43 3ktk h SER 42 CO 0.03 0.32 0.26 0.40 -0.53 0.00 0.00 176.83 177.30 3ktk h ILE 43 N -0.42 0.99 -0.33 2.23 1.08 -1.03 -0.60 117.51 119.43 3ktk h ILE 43 Ca -0.01 -0.17 0.01 0.00 -0.39 0.00 0.00 64.86 64.30 3ktk h ILE 43 Cb 0.38 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 3ktk h ILE 43 CO 0.01 0.09 0.19 0.58 -0.69 0.00 0.00 178.15 178.33 3ktk h VAL 44 N 0.51 1.03 -0.50 1.67 2.07 -1.16 -0.34 116.25 119.53 3ktk h VAL 44 Ca 0.21 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.59 3ktk h VAL 44 Cb 0.09 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3ktk h VAL 44 CO -0.13 0.07 0.32 0.28 0.02 0.00 0.00 177.57 178.13 3ktk h SER 45 N 0.39 0.58 -0.83 0.57 0.02 -0.73 -1.32 113.55 112.23 3ktk h SER 45 Ca 0.13 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 3ktk h SER 45 Cb 0.00 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.36 3ktk h SER 45 CO -0.06 0.44 0.44 1.56 -1.14 0.00 0.00 176.83 178.07 3ktk h GLN 46 N 0.67 1.16 -0.37 3.45 4.20 -0.77 0.14 115.11 123.58 3ktk h GLN 46 Ca 0.18 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 3ktk h GLN 46 Cb -0.06 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.48 3ktk h GLN 46 CO -0.04 0.86 0.15 -0.07 -0.67 0.00 0.00 178.83 179.07 3ktk h LEU 47 N 1.15 0.51 -0.68 1.46 3.38 -0.66 0.51 115.31 120.99 3ktk h LEU 47 Ca 0.29 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 3ktk h LEU 47 Cb 0.05 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3ktk h LEU 47 CO -0.04 0.54 -0.00 -0.07 0.09 0.00 0.00 178.44 178.95 3ktk h LEU 48 N 0.46 1.00 0.63 1.67 3.38 -0.97 -1.37 115.31 120.11 3ktk h LEU 48 Ca 0.13 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3ktk h LEU 48 Cb 0.18 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.67 3ktk h LEU 48 CO -0.01 1.05 -0.30 0.15 0.09 0.00 0.00 178.44 179.42 3ktk h PHE 49 N 0.94 -0.78 -0.71 1.13 3.57 -0.37 -0.60 116.94 120.11 3ktk h PHE 49 Ca 0.17 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.68 3ktk h PHE 49 Cb 0.54 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 3ktk h PHE 49 CO 0.04 -0.48 0.47 -0.07 -2.23 0.00 0.00 178.31 176.04 3ktk h LEU 50 N -0.87 0.76 -1.04 0.59 3.38 -0.88 -0.65 115.31 116.60 3ktk h LEU 50 Ca -0.09 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 3ktk h LEU 50 Cb 0.66 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3ktk h LEU 50 CO 0.14 0.53 -0.33 0.00 0.09 0.00 0.00 178.44 178.86 3ktk h ALA 51 N 1.58 1.19 -0.25 1.53 0.00 -1.06 -2.33 119.26 119.92 3ktk h ALA 51 Ca 0.28 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 3ktk h ALA 51 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ktk h ALA 51 CO -0.08 0.54 -0.46 0.00 0.00 0.00 0.00 179.25 179.25 3ktk h ALA 52 N 1.43 0.39 -0.48 0.00 0.00 0.32 -2.60 119.26 118.32 3ktk h ALA 52 Ca 0.03 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 3ktk h ALA 52 Cb 0.71 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3ktk h ALA 52 CO 0.05 0.54 -0.02 0.93 0.00 0.00 0.00 179.25 180.76 3ktk h GLU 53 N 0.49 0.82 -1.00 0.00 5.08 -1.03 -3.41 114.58 115.52 3ktk h GLU 53 Ca 0.01 -0.23 0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3ktk h GLU 53 Cb 1.06 -0.09 -0.21 0.00 0.50 0.00 0.00 28.75 30.02 3ktk h GLU 53 CO 0.10 0.83 -0.37 0.34 -1.00 0.00 0.00 179.01 178.92 3ktk s ASP 54 N -6.65 -1.62 0.00 1.42 -1.08 -0.89 -5.01 116.67 102.84 3ktk s ASP 54 Ca -0.10 0.24 0.12 0.00 -0.52 0.00 0.00 52.55 52.29 3ktk s ASP 54 Cb 0.14 2.05 0.70 0.00 -1.46 0.00 0.00 42.92 44.35 3ktk s ASP 54 CO 0.82 -0.30 1.19 -0.81 0.52 0.00 0.00 175.17 176.59 3ktk n PRO 55 N 5.42 0.65 -0.10 4.34 -0.04 -0.98 -3.69 135.00 140.60 3ktk n PRO 55 Ca 0.05 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.32 3ktk n PRO 55 Cb 0.54 -1.28 -0.06 0.00 -0.04 0.00 0.00 33.50 32.65 3ktk n PRO 55 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3ktk n GLU 56 N -0.78 0.45 -1.72 0.54 -0.58 -1.26 -3.12 120.64 114.18 3ktk n GLU 56 Ca 0.09 0.19 -0.42 0.00 -0.42 0.00 0.00 57.16 56.60 3ktk n GLU 56 Cb 0.04 -1.27 -0.03 0.00 -0.57 0.00 0.00 31.44 29.61 3ktk n GLU 56 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3ktk s LYS 57 N -2.50 4.12 0.90 3.49 1.02 -1.24 -4.68 119.74 120.85 3ktk s LYS 57 Ca -0.29 2.62 -0.11 0.00 0.02 0.00 0.00 55.97 58.21 3ktk s LYS 57 Cb 0.09 -3.10 0.14 0.00 -0.52 0.00 0.00 37.83 34.44 3ktk s LYS 57 CO 0.37 -0.77 1.10 -1.83 -0.92 0.00 0.00 175.35 173.31 3ktk s GLU 58 N 1.28 1.16 0.08 1.68 -1.05 -1.26 -4.70 118.70 115.88 3ktk s GLU 58 Ca 0.75 1.08 0.09 0.00 -0.15 0.00 0.00 54.97 56.75 3ktk s GLU 58 Cb -0.50 -1.78 -0.03 0.00 -0.44 0.00 0.00 34.13 31.38 3ktk s GLU 58 CO 0.32 -2.38 -0.25 0.42 0.95 0.00 0.00 175.26 174.33 3ktk s ILE 59 N -2.80 2.34 -0.18 1.83 1.01 -0.55 -4.94 121.20 117.91 3ktk s ILE 59 Ca 0.64 -1.48 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 3ktk s ILE 59 Cb -0.20 -1.98 -0.00 0.00 0.01 0.00 0.00 42.46 40.29 3ktk s ILE 59 CO 0.58 0.25 -0.10 -0.44 0.00 0.00 0.00 174.94 175.23 3ktk s SER 60 N -1.60 3.98 -0.41 3.58 0.01 -0.26 -0.80 113.70 118.21 3ktk s SER 60 Ca 0.13 -0.42 -0.09 0.00 1.31 0.00 0.00 55.95 56.88 3ktk s SER 60 Cb -0.10 -1.65 0.07 0.00 0.21 0.00 0.00 66.02 64.55 3ktk s SER 60 CO 0.04 0.04 0.24 -0.22 0.41 0.00 0.00 173.24 173.76 3ktk s LEU 61 N 1.08 5.02 -0.05 2.44 2.96 0.44 -0.32 118.68 130.24 3ktk s LEU 61 Ca 0.00 -1.40 -0.26 0.00 -0.22 0.00 0.00 54.13 52.25 3ktk s LEU 61 Cb -0.15 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 3ktk s LEU 61 CO -0.02 -0.50 0.82 -0.31 -1.32 0.00 0.00 176.35 175.02 3ktk s TYR 62 N 1.44 3.60 -0.10 5.38 2.02 0.42 -1.92 117.35 128.18 3ktk s TYR 62 Ca 0.02 1.42 0.04 0.00 -0.37 0.00 0.00 57.07 58.18 3ktk s TYR 62 Cb -0.22 -2.94 -0.00 0.00 -0.40 0.00 0.00 41.96 38.40 3ktk s TYR 62 CO 0.03 0.03 -0.23 0.42 -1.57 0.00 0.00 175.55 174.23 3ktk s ILE 63 N 0.98 2.18 -0.48 2.71 1.01 0.13 -0.64 121.20 127.09 3ktk s ILE 63 Ca 0.43 -0.98 0.06 0.00 0.00 0.00 0.00 60.65 60.16 3ktk s ILE 63 Cb -0.19 -1.84 0.21 0.00 0.01 0.00 0.00 42.46 40.66 3ktk s ILE 63 CO 0.21 0.56 0.71 -3.20 0.00 0.00 0.00 174.94 173.22 3ktk n ASN 64 N 3.49 -2.42 -3.99 3.58 5.15 -0.55 -0.41 115.26 120.11 3ktk n ASN 64 Ca -0.19 -2.95 -0.12 0.00 -0.60 0.00 0.00 54.58 50.72 3ktk n ASN 64 Cb 0.53 1.17 -0.12 0.00 -0.53 0.00 0.00 39.78 40.83 3ktk n ASN 64 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3ktk s SER 65 N -0.38 0.50 0.00 1.20 0.15 -0.41 -3.63 113.70 111.13 3ktk s SER 65 Ca 0.32 -0.36 0.29 0.00 0.70 0.00 0.00 55.95 56.89 3ktk s SER 65 Cb 0.11 0.03 1.23 0.00 -1.71 0.00 0.00 66.02 65.68 3ktk s SER 65 CO -0.15 -0.15 1.87 -0.81 1.20 0.00 0.00 173.24 175.20 3ktk n PRO 66 N 2.04 0.59 0.00 5.44 -0.04 -1.26 -1.56 135.00 140.21 3ktk n PRO 66 Ca -0.20 -0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.08 3ktk n PRO 66 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 3ktk n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ktk n GLY 67 N 1.30 -0.54 0.00 0.55 0.00 -1.12 -4.14 105.19 101.24 3ktk n GLY 67 Ca 0.14 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.20 3ktk n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ktk n GLY 68 N 0.00 -0.48 3.75 -0.02 0.00 -1.26 0.63 105.19 107.80 3ktk n GLY 68 Ca 0.00 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 3ktk n GLY 68 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ktk s SER 69 N -4.00 6.47 0.09 1.61 0.15 0.16 -4.82 113.70 113.36 3ktk s SER 69 Ca 0.00 2.86 -0.16 0.00 0.70 0.00 0.00 55.95 59.34 3ktk s SER 69 Cb 0.00 -2.63 -0.07 0.00 -1.71 0.00 0.00 66.02 61.61 3ktk s SER 69 CO 0.00 -0.84 1.47 0.40 1.20 0.00 0.00 173.24 175.47 3ktk h ILE 70 N 3.43 1.29 0.00 6.45 2.04 -1.97 -1.77 117.51 126.99 3ktk h ILE 70 Ca -0.47 -1.19 -0.06 0.00 1.00 0.00 0.00 64.86 64.14 3ktk h ILE 70 Cb 1.22 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 3ktk h ILE 70 CO 0.79 0.38 -0.28 0.71 0.00 0.00 0.00 178.15 179.75 3ktk h THR 71 N 0.35 0.87 -0.10 -0.27 1.35 -1.99 -1.40 112.91 111.72 3ktk h THR 71 Ca 0.07 -1.10 -0.21 0.00 -0.55 0.00 0.00 66.41 64.62 3ktk h THR 71 Cb 0.62 1.66 0.01 0.00 -1.73 0.00 0.00 68.15 68.71 3ktk h THR 71 CO 0.04 0.27 -0.74 0.00 -0.25 0.00 0.00 175.52 174.84 3ktk h ALA 72 N 1.72 0.22 -0.56 6.62 0.00 -1.89 -2.48 119.26 122.90 3ktk h ALA 72 Ca -0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 54.22 3ktk h ALA 72 Cb 0.64 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3ktk h ALA 72 CO 0.04 0.57 -0.05 0.78 0.00 0.00 0.00 179.25 180.59 3ktk h GLY 73 N 0.35 1.09 2.00 0.00 0.00 -0.99 -2.63 103.07 102.88 3ktk h GLY 73 Ca -0.06 -0.82 -0.08 0.00 0.00 0.00 0.00 47.33 46.37 3ktk h GLY 73 CO 0.15 0.75 -0.36 -0.33 0.00 0.00 0.00 176.54 176.76 3ktk h MET 74 N 0.91 0.00 -0.37 4.80 2.86 -1.28 0.25 114.93 122.09 3ktk h MET 74 Ca 0.16 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 3ktk h MET 74 Cb 0.59 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 3ktk h MET 74 CO 0.04 0.36 0.16 0.00 1.06 0.00 0.00 176.91 178.53 3ktk h ALA 75 N 1.64 0.48 0.05 6.32 0.00 -1.09 0.37 119.26 127.04 3ktk h ALA 75 Ca -0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ktk h ALA 75 Cb 0.67 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3ktk h ALA 75 CO 0.05 0.07 -0.03 0.82 0.00 0.00 0.00 179.25 180.16 3ktk h ILE 76 N 0.46 1.09 -0.14 0.00 2.04 -1.10 -2.33 117.51 117.52 3ktk h ILE 76 Ca 0.13 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.56 3ktk h ILE 76 Cb 0.16 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 3ktk h ILE 76 CO -0.01 0.12 -0.19 0.22 0.00 0.00 0.00 178.15 178.28 3ktk h TYR 77 N -0.28 -0.51 -0.70 1.37 3.20 -0.27 -0.11 116.97 119.67 3ktk h TYR 77 Ca -0.01 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.95 3ktk h TYR 77 Cb 0.25 0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 3ktk h TYR 77 CO -0.01 -0.27 0.46 -0.44 -1.64 0.00 0.00 178.16 176.26 3ktk h ASP 78 N -0.24 0.62 -0.13 -2.11 3.45 -0.23 -1.50 116.42 116.28 3ktk h ASP 78 Ca 0.10 0.00 -0.21 0.00 0.43 0.00 0.00 57.03 57.36 3ktk h ASP 78 Cb 0.39 -0.13 0.01 0.00 -0.56 0.00 0.00 39.33 39.04 3ktk h ASP 78 CO -0.28 0.40 -0.71 0.74 -1.57 0.00 0.00 179.24 177.82 3ktk h THR 79 N 0.71 1.29 -0.94 0.35 2.02 -0.81 -0.80 112.91 114.72 3ktk h THR 79 Ca 0.30 -1.92 0.08 0.00 0.77 0.00 0.00 66.41 65.64 3ktk h THR 79 Cb 0.28 1.89 -0.07 0.00 -1.74 0.00 0.00 68.15 68.51 3ktk h THR 79 CO -0.10 0.61 0.59 0.24 0.37 0.00 0.00 175.52 177.23 3ktk h MET 80 N 0.55 0.99 -0.12 6.66 2.86 -0.05 -2.42 114.93 123.39 3ktk h MET 80 Ca -0.03 -0.06 -0.23 0.00 -2.06 0.00 0.00 59.70 57.32 3ktk h MET 80 Cb 1.32 -0.22 0.01 0.00 0.06 0.00 0.00 31.60 32.77 3ktk h MET 80 CO 0.15 0.65 -0.84 1.96 1.06 0.00 0.00 176.91 179.89 3ktk h GLN 81 N 1.02 0.77 0.08 1.72 1.08 -1.20 -3.35 115.11 115.22 3ktk h GLN 81 Ca 0.43 -0.67 -0.00 0.00 -1.45 0.00 0.00 58.65 56.96 3ktk h GLN 81 Cb 0.28 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 3ktk h GLN 81 CO -0.21 1.27 -0.04 0.35 -0.95 0.00 0.00 178.83 179.25 3ktk h PHE 82 N 0.51 -0.10 -4.12 2.96 3.57 -0.68 -3.44 116.94 115.63 3ktk h PHE 82 Ca -0.07 -0.00 -0.52 0.00 3.53 0.00 0.00 57.97 60.90 3ktk h PHE 82 Cb 1.47 0.03 0.12 0.00 2.79 0.00 0.00 35.95 40.36 3ktk h PHE 82 CO 0.09 -0.02 0.44 0.96 -2.23 0.00 0.00 178.31 177.55 3ktk s ILE 83 N -5.97 2.70 0.03 1.41 -4.36 -0.99 -4.98 121.20 109.04 3ktk s ILE 83 Ca -0.14 0.40 -0.21 0.00 -0.26 0.00 0.00 60.65 60.44 3ktk s ILE 83 Cb 0.05 -3.08 -0.16 0.00 1.25 0.00 0.00 42.46 40.53 3ktk s ILE 83 CO 0.65 -0.13 1.32 0.11 0.24 0.00 0.00 174.94 177.14 3ktk h LYS 84 N 0.58 0.28 -6.59 0.37 6.56 -1.86 -3.45 116.57 112.45 3ktk h LYS 84 Ca -0.49 -0.15 -0.59 0.00 -1.06 0.00 0.00 60.65 58.36 3ktk h LYS 84 Cb 1.29 0.01 0.12 0.00 -0.57 0.00 0.00 32.23 33.08 3ktk h LYS 84 CO 0.54 0.69 0.18 -2.30 -2.06 0.00 0.00 179.45 176.50 3ktk n PRO 85 N -4.61 1.43 -2.74 3.15 -0.02 -1.18 -4.92 135.00 126.11 3ktk n PRO 85 Ca -0.07 0.51 -0.41 0.00 -2.02 0.00 0.00 63.50 61.51 3ktk n PRO 85 Cb 0.34 -2.00 -0.04 0.00 -0.02 0.00 0.00 33.50 31.78 3ktk n PRO 85 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3ktk s LYS 86 N -1.84 4.66 -0.30 -0.52 1.02 -1.26 -4.84 119.74 116.66 3ktk s LYS 86 Ca 0.61 1.43 -0.10 0.00 0.02 0.00 0.00 55.97 57.92 3ktk s LYS 86 Cb -0.60 -3.39 -0.02 0.00 -0.52 0.00 0.00 37.83 33.29 3ktk s LYS 86 CO 0.59 0.16 0.17 0.08 -0.92 0.00 0.00 175.35 175.42 3ktk s VAL 87 N 0.21 4.85 0.10 3.17 1.01 -1.26 -1.48 120.40 126.99 3ktk s VAL 87 Ca 0.48 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 3ktk s VAL 87 Cb -0.23 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 3ktk s VAL 87 CO 0.29 0.12 0.34 -0.94 0.00 0.00 0.00 175.10 174.91 3ktk s SER 88 N 1.67 6.49 -0.02 3.32 1.04 0.02 -0.01 113.70 126.21 3ktk s SER 88 Ca 0.06 0.57 0.07 0.00 0.48 0.00 0.00 55.95 57.12 3ktk s SER 88 Cb -0.17 -2.08 -0.02 0.00 0.10 0.00 0.00 66.02 63.85 3ktk s SER 88 CO 0.08 0.12 -0.23 0.42 0.98 0.00 0.00 173.24 174.61 3ktk s THR 89 N -1.53 1.82 -0.13 2.02 -4.23 -0.93 -0.42 115.64 112.24 3ktk s THR 89 Ca 0.36 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 3ktk s THR 89 Cb -0.13 -1.51 0.02 0.00 1.34 0.00 0.00 72.50 72.22 3ktk s THR 89 CO 0.23 0.51 -0.12 -0.63 -0.54 0.00 0.00 174.62 174.06 3ktk s ILE 90 N -0.55 1.36 -0.35 2.99 1.09 -0.81 0.16 121.20 125.10 3ktk s ILE 90 Ca 0.09 -0.52 -0.20 0.00 -1.10 0.00 0.00 60.65 58.92 3ktk s ILE 90 Cb -0.09 -1.30 0.00 0.00 -1.06 0.00 0.00 42.46 40.01 3ktk s ILE 90 CO -0.01 0.42 0.64 0.00 -0.10 0.00 0.00 174.94 175.89 3ktk s ILE 92 N 2.70 1.98 0.00 0.00 2.07 0.45 -2.47 121.20 125.93 3ktk s ILE 92 Ca 0.25 -1.02 0.00 0.00 -1.41 0.00 0.00 60.65 58.47 3ktk s ILE 92 Cb -0.15 -1.87 0.00 0.00 0.13 0.00 0.00 42.46 40.58 3ktk s ILE 92 CO 0.14 0.41 0.00 0.61 -1.91 0.00 0.00 174.94 174.19 3ktk n GLY 93 N 4.61 1.39 2.92 1.50 0.00 -1.26 -4.06 105.19 110.30 3ktk n GLY 93 Ca -0.19 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.20 3ktk n GLY 93 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ktk s MET 94 N 0.00 0.41 -0.45 1.61 -2.45 -1.26 -1.22 119.30 115.94 3ktk s MET 94 Ca 0.00 -0.11 0.02 0.00 -1.25 0.00 0.00 55.69 54.35 3ktk s MET 94 Cb 0.00 -0.44 0.13 0.00 1.25 0.00 0.00 34.83 35.78 3ktk s MET 94 CO 0.00 0.04 0.24 0.00 1.05 0.00 0.00 175.02 176.35 3ktk s ALA 95 N 0.21 2.33 0.14 4.11 0.00 0.15 -1.29 121.76 127.42 3ktk s ALA 95 Ca -0.02 -2.70 0.07 0.00 0.00 0.00 0.00 51.96 49.31 3ktk s ALA 95 Cb -0.05 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 3ktk s ALA 95 CO -0.00 -2.06 -0.03 0.00 0.00 0.00 0.00 175.76 173.67 3ktk s ALA 96 N 0.26 3.14 0.00 0.00 0.00 -0.60 -1.58 121.76 122.99 3ktk s ALA 96 Ca 0.17 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.84 3ktk s ALA 96 Cb -0.25 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 21.88 3ktk s ALA 96 CO 0.00 0.56 0.00 0.45 0.00 0.00 0.00 175.76 176.78 3ktk n SER 97 N 0.22 0.00 0.33 0.00 2.88 0.17 -1.28 113.62 115.93 3ktk n SER 97 Ca -0.11 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 57.64 3ktk n SER 97 Cb 0.54 0.00 1.13 0.00 -0.75 0.00 0.00 64.21 65.13 3ktk n SER 97 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 3ktk h MET 98 N 0.00 0.00 -0.41 -1.46 1.85 -1.88 0.08 114.93 113.11 3ktk h MET 98 Ca 0.00 0.00 -0.14 0.00 -0.61 0.00 0.00 59.70 58.95 3ktk h MET 98 Cb 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 3ktk h MET 98 CO 0.00 0.00 -0.27 0.78 -0.40 0.00 0.00 176.91 177.02 3ktk h GLY 99 N 0.11 1.00 1.16 1.39 0.00 -1.46 0.86 103.07 106.12 3ktk h GLY 99 Ca -0.00 -0.94 -0.11 0.00 0.00 0.00 0.00 47.33 46.28 3ktk h GLY 99 CO 0.00 0.86 -0.10 0.00 0.00 0.00 0.00 176.54 177.30 3ktk h ALA 100 N 0.81 0.82 -0.50 3.60 0.00 -1.03 -0.21 119.26 122.75 3ktk h ALA 100 Ca 0.08 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.68 3ktk h ALA 100 Cb 0.85 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3ktk h ALA 100 CO 0.08 0.66 0.29 0.35 0.00 0.00 0.00 179.25 180.63 3ktk h PHE 101 N 0.88 0.55 -0.51 0.00 3.57 -0.87 -0.26 116.94 120.30 3ktk h PHE 101 Ca 0.14 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 3ktk h PHE 101 Cb 0.65 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 3ktk h PHE 101 CO 0.04 0.31 0.01 -0.07 -2.23 0.00 0.00 178.31 176.37 3ktk h LEU 102 N 0.58 0.82 -0.13 0.59 3.38 -0.47 -1.21 115.31 118.87 3ktk h LEU 102 Ca 0.20 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3ktk h LEU 102 Cb 0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3ktk h LEU 102 CO -0.10 0.88 0.07 0.25 0.09 0.00 0.00 178.44 179.63 3ktk h LEU 103 N 0.79 0.11 -2.25 1.67 5.85 -0.23 -1.39 115.31 119.86 3ktk h LEU 103 Ca 0.15 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3ktk h LEU 103 Cb 0.47 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 3ktk h LEU 103 CO 0.02 0.09 -0.05 0.00 -0.34 0.00 0.00 178.44 178.15 3ktk h ALA 104 N 1.06 1.36 0.00 1.25 0.00 -0.71 -1.89 119.26 120.33 3ktk h ALA 104 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ktk h ALA 104 Cb -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3ktk h ALA 104 CO -0.03 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.29 3ktk n ALA 105 N -2.28 2.13 -0.80 0.00 0.00 -0.49 -4.88 120.51 114.20 3ktk n ALA 105 Ca -0.02 -0.07 -0.32 0.00 0.00 0.00 0.00 53.44 53.03 3ktk n ALA 105 Cb 0.15 -1.41 0.15 0.00 0.00 0.00 0.00 19.45 18.34 3ktk n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ktk n GLY 106 N 1.04 -0.54 3.68 0.00 0.00 -0.71 -4.83 105.19 103.83 3ktk n GLY 106 Ca 0.06 -0.66 -0.54 0.00 0.00 0.00 0.00 46.02 44.88 3ktk n GLY 106 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ktk n GLU 107 N -3.63 1.50 -1.67 1.61 4.07 0.98 -4.81 120.64 118.69 3ktk n GLU 107 Ca 0.12 0.55 -0.54 0.00 -0.06 0.00 0.00 57.16 57.22 3ktk n GLU 107 Cb 0.52 -2.27 -0.06 0.00 -0.06 0.00 0.00 31.44 29.56 3ktk n GLU 107 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3ktk n LYS 108 N 5.19 1.34 0.00 5.31 3.00 -1.26 -0.03 118.16 131.72 3ktk n LYS 108 Ca 0.24 0.49 0.00 0.00 -0.00 0.00 0.00 58.31 59.04 3ktk n LYS 108 Cb 0.19 -2.19 0.00 0.00 0.00 0.00 0.00 35.03 33.04 3ktk n LYS 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ktk n GLY 109 N 3.65 2.50 2.07 3.14 0.00 -1.26 -4.91 105.19 110.38 3ktk n GLY 109 Ca 0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 3ktk n GLY 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ktk n LYS 110 N -1.93 3.38 -3.88 1.61 5.02 0.96 -4.84 118.16 118.49 3ktk n LYS 110 Ca 0.00 -4.08 -0.35 0.00 -2.02 0.00 0.00 58.31 51.85 3ktk n LYS 110 Cb 0.00 -2.20 -0.14 0.00 -0.02 0.00 0.00 35.03 32.68 3ktk n LYS 110 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3ktk s ARG 111 N -3.60 2.85 0.42 1.97 0.52 -1.25 -2.19 118.95 117.66 3ktk s ARG 111 Ca 0.48 -0.99 0.07 0.00 -0.52 0.00 0.00 55.73 54.78 3ktk s ARG 111 Cb 0.40 -3.15 -0.06 0.00 0.52 0.00 0.00 34.95 32.66 3ktk s ARG 111 CO 0.03 -0.45 0.12 0.71 0.02 0.00 0.00 175.30 175.73 3ktk s TYR 112 N 1.37 2.54 -0.06 -0.53 1.51 0.12 -0.02 117.35 122.29 3ktk s TYR 112 Ca 0.00 -0.63 -0.26 0.00 -1.01 0.00 0.00 57.07 55.17 3ktk s TYR 112 Cb -0.17 -1.89 0.06 0.00 -0.11 0.00 0.00 41.96 39.85 3ktk s TYR 112 CO -0.02 0.27 0.59 0.00 -1.11 0.00 0.00 175.55 175.28 3ktk s ALA 113 N -2.65 -1.52 0.49 3.71 0.00 -1.08 -0.87 121.76 119.83 3ktk s ALA 113 Ca 0.38 1.13 -0.08 0.00 0.00 0.00 0.00 51.96 53.39 3ktk s ALA 113 Cb 0.06 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 3ktk s ALA 113 CO 0.20 -0.34 0.83 -0.51 0.00 0.00 0.00 175.76 175.95 3ktk s LEU 114 N -1.09 3.60 0.26 0.00 1.43 -1.03 -1.31 118.68 120.55 3ktk s LEU 114 Ca -0.11 1.08 -0.05 0.00 -1.03 0.00 0.00 54.13 54.02 3ktk s LEU 114 Cb -0.02 -4.03 0.48 0.00 0.03 0.00 0.00 46.19 42.65 3ktk s LEU 114 CO 0.08 -0.59 1.43 -2.65 0.23 0.00 0.00 176.35 174.85 3ktk n PRO 115 N -2.10 -0.08 -0.82 1.29 -0.02 -1.25 -0.81 135.00 131.21 3ktk n PRO 115 Ca 0.02 1.42 0.00 0.00 -2.02 0.00 0.00 63.50 62.92 3ktk n PRO 115 Cb 0.55 -2.14 0.30 0.00 -0.02 0.00 0.00 33.50 32.18 3ktk n PRO 115 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ktk n ASN 116 N -5.46 4.44 -4.74 2.55 4.13 -1.26 -4.43 115.26 110.49 3ktk n ASN 116 Ca 0.16 -3.19 -0.31 0.00 1.68 0.00 0.00 54.58 52.92 3ktk n ASN 116 Cb 0.51 -0.67 0.11 0.00 -1.54 0.00 0.00 39.78 38.19 3ktk n ASN 116 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3ktk s SER 117 N -1.44 4.06 -0.05 6.41 0.01 0.01 -4.83 113.70 117.88 3ktk s SER 117 Ca 0.50 1.97 0.03 0.00 1.31 0.00 0.00 55.95 59.77 3ktk s SER 117 Cb 0.41 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 64.10 3ktk s SER 117 CO 0.11 -2.33 -0.14 -0.70 0.41 0.00 0.00 173.24 170.58 3ktk s GLU 118 N -4.72 1.65 -0.12 12.44 2.12 -0.36 -3.38 118.70 126.33 3ktk s GLU 118 Ca 0.64 -0.50 0.02 0.00 0.36 0.00 0.00 54.97 55.48 3ktk s GLU 118 Cb -0.20 -1.41 0.01 0.00 0.26 0.00 0.00 34.13 32.79 3ktk s GLU 118 CO 0.55 0.15 -0.17 0.08 -0.54 0.00 0.00 175.26 175.34 3ktk s VAL 119 N 0.26 1.62 -0.10 3.70 1.01 -0.07 -0.67 120.40 126.15 3ktk s VAL 119 Ca -0.07 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.21 3ktk s VAL 119 Cb -0.12 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.80 3ktk s VAL 119 CO 0.03 0.46 -0.13 -0.32 0.00 0.00 0.00 175.10 175.14 3ktk s MET 120 N 0.98 1.97 0.01 2.72 0.00 -0.61 0.86 119.30 125.23 3ktk s MET 120 Ca -0.06 -0.47 0.07 0.00 0.00 0.00 0.00 55.69 55.22 3ktk s MET 120 Cb -0.15 -1.70 -0.03 0.00 0.00 0.00 0.00 34.83 32.95 3ktk s MET 120 CO -0.02 -0.07 -0.19 0.96 0.00 0.00 0.00 175.02 175.71 3ktk s ILE 121 N 1.00 2.73 0.22 10.11 -4.36 -0.98 -0.66 121.20 129.26 3ktk s ILE 121 Ca -0.07 -1.08 -0.08 0.00 -0.26 0.00 0.00 60.65 59.15 3ktk s ILE 121 Cb -0.15 -2.11 0.03 0.00 1.25 0.00 0.00 42.46 41.49 3ktk s ILE 121 CO -0.01 0.42 0.44 0.00 0.24 0.00 0.00 174.94 176.04 3ktk n HIS 122 N 1.83 -1.74 -3.01 1.37 1.44 -1.26 -1.85 115.22 112.01 3ktk n HIS 122 Ca -0.16 -1.02 -0.24 0.00 -2.01 0.00 0.00 57.72 54.28 3ktk n HIS 122 Cb 0.52 0.51 0.00 0.00 0.12 0.00 0.00 29.99 31.14 3ktk n HIS 122 CO 0.00 0.00 0.00 1.14 -2.81 0.00 0.00 176.34 174.67 3ktk s GLN 123 N -2.05 3.29 0.75 -1.40 -2.07 -0.52 -4.94 119.66 112.72 3ktk s GLN 123 Ca 0.09 -0.27 -0.15 0.00 -1.82 0.00 0.00 55.36 53.21 3ktk s GLN 123 Cb -0.03 -2.54 0.03 0.00 -1.09 0.00 0.00 33.01 29.38 3ktk s GLN 123 CO 0.06 -0.15 1.04 -2.30 -1.32 0.00 0.00 175.29 172.63 3ktk n PRO 124 N -2.05 0.42 -5.02 9.60 -0.02 -1.26 -5.04 135.00 131.63 3ktk n PRO 124 Ca -0.01 0.21 -0.30 0.00 -2.02 0.00 0.00 63.50 61.38 3ktk n PRO 124 Cb 0.57 -2.30 -0.15 0.00 -0.02 0.00 0.00 33.50 31.60 3ktk n PRO 124 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ktk s LEU 125 N -3.89 2.14 0.00 2.45 1.43 -1.26 -5.10 118.68 114.44 3ktk s LEU 125 Ca 0.73 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 3ktk s LEU 125 Cb -0.33 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 44.59 3ktk s LEU 125 CO 0.50 0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.97 3ktk n GLY 126 N 1.95 2.05 3.38 -3.19 0.00 -1.26 -5.06 105.19 103.07 3ktk n GLY 126 Ca -0.17 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 3ktk n GLY 126 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ktk s GLY 127 N -0.86 -0.44 -0.09 -0.02 0.00 -1.26 -5.16 107.32 99.49 3ktk s GLY 127 Ca 0.00 0.44 -0.06 0.00 0.00 0.00 0.00 44.72 45.10 3ktk s GLY 127 CO 0.00 0.14 0.22 0.00 0.00 0.00 0.00 173.10 173.45 3ktk s ALA 128 N -3.06 -0.50 0.04 3.20 0.00 -1.26 -4.98 121.76 115.21 3ktk s ALA 128 Ca -0.02 0.80 0.02 0.00 0.00 0.00 0.00 51.96 52.76 3ktk s ALA 128 Cb -0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 3ktk s ALA 128 CO -0.07 -0.15 -0.08 -1.14 0.00 0.00 0.00 175.76 174.32 3ktk s GLN 129 N 0.82 0.55 0.00 0.00 2.00 -1.26 -4.98 119.66 116.78 3ktk s GLN 129 Ca -0.06 -0.69 0.00 0.00 -2.00 0.00 0.00 55.36 52.61 3ktk s GLN 129 Cb -0.07 -0.37 0.00 0.00 0.80 0.00 0.00 33.01 33.37 3ktk s GLN 129 CO -0.05 0.07 0.00 0.41 -0.50 0.00 0.00 175.29 175.23 3ktk n GLY 130 N 1.68 0.17 3.76 2.59 0.00 -1.26 -4.62 105.19 107.51 3ktk n GLY 130 Ca -0.21 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 43.58 3ktk n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ktk s GLN 131 N 0.00 2.94 0.27 1.61 -0.21 -1.26 -4.78 119.66 118.23 3ktk s GLN 131 Ca 0.00 1.65 0.01 0.00 0.02 0.00 0.00 55.36 57.03 3ktk s GLN 131 Cb 0.00 -1.94 0.63 0.00 1.00 0.00 0.00 33.01 32.69 3ktk s GLN 131 CO 0.00 -1.19 1.70 0.00 -2.12 0.00 0.00 175.29 173.68 3ktk h ALA 132 N 0.62 1.27 -0.97 6.09 0.00 -1.99 0.16 119.26 124.44 3ktk h ALA 132 Ca -0.49 0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.58 3ktk h ALA 132 Cb 1.27 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 3ktk h ALA 132 CO 0.55 -0.31 0.63 1.15 0.00 0.00 0.00 179.25 181.27 3ktk h THR 133 N 0.39 1.25 -0.23 0.00 2.02 -1.99 0.09 112.91 114.44 3ktk h THR 133 Ca 0.51 -0.48 -0.19 0.00 0.77 0.00 0.00 66.41 67.01 3ktk h THR 133 Cb 0.91 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3ktk h THR 133 CO -0.51 0.25 -0.61 -0.33 0.37 0.00 0.00 175.52 174.70 3ktk h GLU 134 N 1.32 0.82 -0.79 6.66 5.08 -1.14 -1.95 114.58 124.59 3ktk h GLU 134 Ca 0.35 -0.57 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 3ktk h GLU 134 Cb -0.13 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 3ktk h GLU 134 CO -0.07 1.20 0.44 0.82 -1.00 0.00 0.00 179.01 180.39 3ktk h ILE 135 N 0.58 1.23 -0.66 3.13 2.04 -0.50 -1.75 117.51 121.58 3ktk h ILE 135 Ca -0.01 -0.55 -0.07 0.00 1.00 0.00 0.00 64.86 65.22 3ktk h ILE 135 Cb 1.22 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 3ktk h ILE 135 CO 0.13 0.25 0.12 -0.08 0.00 0.00 0.00 178.15 178.57 3ktk h GLU 136 N 1.09 1.07 -0.13 2.37 4.81 -0.82 0.11 114.58 123.08 3ktk h GLU 136 Ca 0.28 -0.27 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3ktk h GLU 136 Cb 0.01 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3ktk h GLU 136 CO -0.05 0.98 0.05 0.82 -0.73 0.00 0.00 179.01 180.08 3ktk h ILE 137 N 1.01 0.98 -0.55 2.32 1.08 -0.55 -1.04 117.51 120.76 3ktk h ILE 137 Ca 0.20 -0.04 -0.04 0.00 -0.39 0.00 0.00 64.86 64.59 3ktk h ILE 137 Cb 0.42 0.85 -0.02 0.00 -3.07 0.00 0.00 36.82 34.99 3ktk h ILE 137 CO 0.01 0.02 0.21 0.00 -0.69 0.00 0.00 178.15 177.70 3ktk h ALA 138 N 1.07 0.72 -0.05 1.87 0.00 -1.02 -2.50 119.26 119.35 3ktk h ALA 138 Ca 0.05 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3ktk h ALA 138 Cb 0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3ktk h ALA 138 CO -0.05 0.35 -0.07 0.00 0.00 0.00 0.00 179.25 179.48 3ktk h ALA 139 N 1.06 -0.03 -0.78 0.00 0.00 -0.49 -1.83 119.26 117.19 3ktk h ALA 139 Ca 0.18 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ktk h ALA 139 Cb 0.22 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3ktk h ALA 139 CO -0.01 -0.55 0.50 0.87 0.00 0.00 0.00 179.25 180.06 3ktk h LYS 140 N -0.10 1.03 0.55 0.00 1.57 -1.11 -0.85 116.57 117.65 3ktk h LYS 140 Ca 0.05 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3ktk h LYS 140 Cb 0.17 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.26 3ktk h LYS 140 CO -0.12 0.69 -0.26 -0.09 -0.57 0.00 0.00 179.45 179.10 3ktk h ARG 141 N 1.06 -0.71 -0.44 3.15 2.43 -1.08 -0.68 114.38 118.11 3ktk h ARG 141 Ca 0.28 0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.48 3ktk h ARG 141 Cb -0.10 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3ktk h ARG 141 CO -0.06 -0.40 0.16 0.97 -1.51 0.00 0.00 179.97 179.13 3ktk h ILE 142 N -0.96 1.17 -0.30 1.20 2.10 -1.23 0.29 117.51 119.77 3ktk h ILE 142 Ca -0.08 -0.55 -0.12 0.00 1.08 0.00 0.00 64.86 65.19 3ktk h ILE 142 Cb 0.63 0.66 -0.01 0.00 -1.09 0.00 0.00 36.82 37.01 3ktk h ILE 142 CO 0.12 0.21 -0.31 -0.07 -1.08 0.00 0.00 178.15 177.02 3ktk h LEU 143 N 0.63 0.67 -0.55 2.19 3.38 -1.14 -0.46 115.31 120.02 3ktk h LEU 143 Ca 0.15 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 3ktk h LEU 143 Cb 0.15 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3ktk h LEU 143 CO -0.01 0.93 -0.04 -0.07 0.09 0.00 0.00 178.44 179.34 3ktk h LEU 144 N 0.55 0.98 -0.85 1.67 3.38 -0.21 -2.70 115.31 118.13 3ktk h LEU 144 Ca 0.06 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 3ktk h LEU 144 Cb 0.81 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 3ktk h LEU 144 CO 0.07 1.07 0.11 -0.07 0.09 0.00 0.00 178.44 179.70 3ktk h LEU 145 N 0.87 0.91 -0.97 1.67 3.38 -0.63 -1.58 115.31 118.96 3ktk h LEU 145 Ca 0.15 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ktk h LEU 145 Cb 0.59 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 3ktk h LEU 145 CO 0.04 0.91 0.61 -0.09 0.09 0.00 0.00 178.44 180.00 3ktk h ARG 146 N 0.91 1.30 -0.17 1.13 2.43 -0.88 -0.68 114.38 118.43 3ktk h ARG 146 Ca 0.19 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3ktk h ARG 146 Cb 0.38 -0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3ktk h ARG 146 CO 0.01 0.89 -0.06 -0.44 -1.51 0.00 0.00 179.97 178.85 3ktk h ASP 147 N 1.33 0.34 -0.46 -3.80 5.19 -1.15 -0.06 116.42 117.82 3ktk h ASP 147 Ca 0.35 -0.40 0.03 0.00 -0.62 0.00 0.00 57.03 56.40 3ktk h ASP 147 Cb -0.10 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 39.28 3ktk h ASP 147 CO -0.07 0.66 0.25 0.50 -3.12 0.00 0.00 179.24 177.47 3ktk h LYS 148 N 0.02 0.49 -0.10 3.56 3.64 -1.00 0.23 116.57 123.41 3ktk h LYS 148 Ca 0.04 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3ktk h LYS 148 Cb 0.52 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3ktk h LYS 148 CO 0.02 0.33 0.01 -0.07 -2.27 0.00 0.00 179.45 177.46 3ktk h LEU 149 N 0.51 0.17 -1.25 5.20 3.38 -1.09 -2.70 115.31 119.52 3ktk h LEU 149 Ca 0.19 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.91 3ktk h LEU 149 Cb 0.06 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 3ktk h LEU 149 CO -0.11 0.42 0.52 0.78 0.09 0.00 0.00 178.44 180.14 3ktk h ASN 150 N -0.08 0.83 -0.39 -0.43 2.35 -0.75 -0.52 115.58 116.59 3ktk h ASN 150 Ca 0.03 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 3ktk h ASN 150 Cb 0.33 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3ktk h ASN 150 CO 0.00 0.57 0.07 0.11 -1.65 0.00 0.00 177.43 176.53 3ktk h LYS 151 N 0.96 0.64 -0.44 0.81 1.57 -0.85 -0.70 116.57 118.56 3ktk h LYS 151 Ca 0.32 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 3ktk h LYS 151 Cb 0.07 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3ktk h LYS 151 CO -0.10 0.69 0.10 0.28 -0.57 0.00 0.00 179.45 179.85 3ktk h VAL 152 N 0.49 1.24 -0.59 0.50 2.07 -1.10 -1.71 116.25 117.14 3ktk h VAL 152 Ca 0.12 -0.83 0.08 0.00 0.82 0.00 0.00 66.70 66.89 3ktk h VAL 152 Cb 0.36 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 3ktk h VAL 152 CO 0.01 0.29 0.25 -0.07 0.02 0.00 0.00 177.57 178.07 3ktk h LEU 153 N 0.58 0.29 -0.39 2.57 3.38 -0.92 0.70 115.31 121.52 3ktk h LEU 153 Ca 0.14 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.21 3ktk h LEU 153 Cb 0.33 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3ktk h LEU 153 CO 0.00 0.18 0.16 0.00 0.09 0.00 0.00 178.44 178.88 3ktk h ALA 154 N 1.38 0.48 -0.22 1.53 0.00 -0.75 0.15 119.26 121.83 3ktk h ALA 154 Ca 0.29 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3ktk h ALA 154 Cb 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3ktk h ALA 154 CO -0.26 -0.22 0.10 0.93 0.00 0.00 0.00 179.25 179.80 3ktk h GLU 155 N 0.34 0.32 -0.11 0.00 5.08 -0.40 0.95 114.58 120.76 3ktk h GLU 155 Ca 0.18 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 3ktk h GLU 155 Cb 0.13 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3ktk h GLU 155 CO -0.16 0.35 -0.24 0.00 -1.00 0.00 0.00 179.01 177.96 3ktk h ARG 156 N 0.21 0.19 0.06 2.33 2.47 -0.55 -3.29 114.38 115.80 3ktk h ARG 156 Ca 0.07 -0.06 -0.37 0.00 -1.26 0.00 0.00 59.98 58.37 3ktk h ARG 156 Cb 0.15 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.41 3ktk h ARG 156 CO -0.01 0.43 -2.14 0.25 0.56 0.00 0.00 179.97 179.06 3ktk n THR 157 N -4.18 1.65 0.00 2.04 -2.24 0.50 -4.84 114.28 107.20 3ktk n THR 157 Ca -0.01 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 3ktk n THR 157 Cb 0.34 -1.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.10 3ktk n THR 157 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ktk n GLY 158 N 2.01 0.40 3.78 3.38 0.00 0.32 -4.57 105.19 110.51 3ktk n GLY 158 Ca -0.35 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 3ktk n GLY 158 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ktk s GLN 159 N -0.75 4.11 0.57 1.61 -1.52 -1.20 -5.00 119.66 117.49 3ktk s GLN 159 Ca 0.00 1.62 -0.18 0.00 -1.95 0.00 0.00 55.36 54.85 3ktk s GLN 159 Cb 0.00 -2.58 -0.04 0.00 -0.22 0.00 0.00 33.01 30.17 3ktk s GLN 159 CO 0.00 -0.21 1.10 -1.25 -0.25 0.00 0.00 175.29 174.68 3ktk s PRO 160 N -2.44 3.26 0.25 2.91 0.04 -1.26 -4.51 135.00 133.25 3ktk s PRO 160 Ca 0.58 1.45 -0.04 0.00 0.04 0.00 0.00 61.00 63.03 3ktk s PRO 160 Cb -0.25 -2.01 0.48 0.00 0.04 0.00 0.00 34.50 32.76 3ktk s PRO 160 CO 0.31 -0.89 1.71 1.25 0.04 0.00 0.00 177.00 179.42 3ktk h LEU 161 N 0.81 0.20 -1.32 -3.56 5.85 -1.92 0.26 115.31 115.63 3ktk h LEU 161 Ca -0.49 0.12 0.12 0.00 0.84 0.00 0.00 57.88 58.48 3ktk h LEU 161 Cb 1.24 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 42.34 3ktk h LEU 161 CO 0.56 0.05 0.55 -0.08 -0.34 0.00 0.00 178.44 179.19 3ktk h GLU 162 N 0.39 0.69 -0.29 1.25 4.57 -1.98 0.77 114.58 119.97 3ktk h GLU 162 Ca 0.42 -0.04 -0.15 0.00 -1.18 0.00 0.00 59.36 58.42 3ktk h GLU 162 Cb 0.68 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.11 3ktk h GLU 162 CO -0.44 0.46 -0.39 0.28 -1.18 0.00 0.00 179.01 177.74 3ktk h VAL 163 N 0.71 1.29 -0.24 0.32 2.07 -1.32 -2.31 116.25 116.79 3ktk h VAL 163 Ca 0.41 -1.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 3ktk h VAL 163 Cb 0.59 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 3ktk h VAL 163 CO -0.17 0.51 0.07 0.40 0.02 0.00 0.00 177.57 178.40 3ktk h ILE 164 N 0.54 1.19 -0.76 4.57 1.08 -0.72 -0.44 117.51 122.97 3ktk h ILE 164 Ca 0.03 -0.61 0.09 0.00 -0.39 0.00 0.00 64.86 63.98 3ktk h ILE 164 Cb 0.98 1.16 -0.07 0.00 -3.07 0.00 0.00 36.82 35.81 3ktk h ILE 164 CO 0.09 0.20 0.41 -0.33 -0.69 0.00 0.00 178.15 177.83 3ktk h GLU 165 N 0.21 0.67 0.04 2.37 5.08 -0.88 -1.13 114.58 120.94 3ktk h GLU 165 Ca 0.08 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3ktk h GLU 165 Cb 0.24 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3ktk h GLU 165 CO -0.00 0.44 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.34 3ktk h ARG 166 N 0.69 -0.05 0.00 2.33 2.43 -1.25 -3.17 114.38 115.35 3ktk h ARG 166 Ca 0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 3ktk h ARG 166 Cb 0.37 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3ktk h ARG 166 CO -0.26 0.43 0.00 -0.44 -1.51 0.00 0.00 179.97 178.19 3ktk h ASP 167 N -0.56 0.00 -0.35 -3.80 5.19 -0.81 -2.66 116.42 113.42 3ktk h ASP 167 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3ktk h ASP 167 Cb 0.51 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.02 3ktk h ASP 167 CO 0.01 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 176.48 3ktk n THR 168 N -2.57 0.59 -0.26 0.35 -2.24 -0.45 -4.50 114.28 105.21 3ktk n THR 168 Ca 0.00 -0.80 0.04 0.00 -2.27 0.00 0.00 64.05 61.02 3ktk n THR 168 Cb 0.19 0.86 0.26 0.00 -2.10 0.00 0.00 70.33 69.54 3ktk n THR 168 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 3ktk h ASP 169 N 3.41 0.85 -4.45 3.42 -0.00 -1.44 -1.38 116.42 116.83 3ktk h ASP 169 Ca 0.00 -0.00 -0.29 0.00 -0.00 0.00 0.00 57.03 56.74 3ktk h ASP 169 Cb 0.83 -0.19 -0.15 0.00 -0.00 0.00 0.00 39.33 39.83 3ktk h ASP 169 CO 0.00 0.56 -0.67 -0.13 -0.00 0.00 0.00 179.24 179.01 3ktk s ARG 170 N -5.84 1.11 -0.29 0.28 0.52 -1.26 -4.69 118.95 108.77 3ktk s ARG 170 Ca -0.11 -1.53 -0.39 0.00 -0.52 0.00 0.00 55.73 53.18 3ktk s ARG 170 Cb 0.19 -0.30 -0.14 0.00 0.52 0.00 0.00 34.95 35.22 3ktk s ARG 170 CO 0.79 -0.11 1.87 -0.25 0.02 0.00 0.00 175.30 177.62 3ktk n ASP 171 N -0.24 2.37 -4.11 0.23 9.92 -1.26 -4.70 116.55 118.77 3ktk n ASP 171 Ca -0.07 0.91 -0.36 0.00 -0.53 0.00 0.00 54.79 54.74 3ktk n ASP 171 Cb 0.63 -1.18 -0.11 0.00 -0.64 0.00 0.00 41.12 39.83 3ktk n ASP 171 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 3ktk s ASN 172 N 4.53 5.24 0.04 -2.24 3.04 -0.77 -5.01 114.94 119.77 3ktk s ASN 172 Ca 1.01 -2.41 -0.28 0.00 0.04 0.00 0.00 52.86 51.22 3ktk s ASN 172 Cb -1.01 -1.84 -0.05 0.00 -1.54 0.00 0.00 41.25 36.81 3ktk s ASN 172 CO 0.61 -0.46 0.89 -0.36 -3.04 0.00 0.00 177.10 174.74 3ktk s PHE 173 N 0.59 3.72 0.02 0.43 0.08 -1.26 -2.32 117.98 119.25 3ktk s PHE 173 Ca 0.12 1.63 0.05 0.00 0.12 0.00 0.00 56.93 58.85 3ktk s PHE 173 Cb -0.22 -2.99 -0.02 0.00 -0.57 0.00 0.00 43.02 39.22 3ktk s PHE 173 CO -0.04 0.14 -0.14 0.15 -0.10 0.00 0.00 175.22 175.24 3ktk s LYS 174 N 0.38 1.01 0.83 0.44 1.02 0.25 -4.98 119.74 118.68 3ktk s LYS 174 Ca 0.45 -0.67 -0.12 0.00 0.02 0.00 0.00 55.97 55.65 3ktk s LYS 174 Cb -0.21 -1.01 0.10 0.00 -0.52 0.00 0.00 37.83 36.19 3ktk s LYS 174 CO 0.26 0.26 1.19 -1.54 -0.92 0.00 0.00 175.35 174.60 3ktk s SER 175 N -0.86 4.25 0.30 2.83 1.04 -1.26 -0.89 113.70 119.10 3ktk s SER 175 Ca 0.03 0.62 -0.01 0.00 0.48 0.00 0.00 55.95 57.07 3ktk s SER 175 Cb -0.07 -1.04 0.45 0.00 0.10 0.00 0.00 66.02 65.46 3ktk s SER 175 CO 0.01 -2.04 1.88 0.00 0.98 0.00 0.00 173.24 174.07 3ktk h ALA 176 N -1.12 1.31 -0.47 5.32 0.00 -1.77 0.27 119.26 122.80 3ktk h ALA 176 Ca -0.45 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 3ktk h ALA 176 Cb 1.31 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3ktk h ALA 176 CO 0.59 0.52 0.13 0.93 0.00 0.00 0.00 179.25 181.42 3ktk h GLU 177 N 0.87 0.74 -0.20 0.00 3.07 -1.92 -1.35 114.58 115.78 3ktk h GLU 177 Ca 0.21 -0.17 -0.12 0.00 -0.50 0.00 0.00 59.36 58.78 3ktk h GLU 177 Cb 0.15 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 3ktk h GLU 177 CO -0.02 0.71 -0.40 0.93 -1.40 0.00 0.00 179.01 178.83 3ktk h GLU 178 N 0.62 0.47 -0.52 2.33 5.08 -1.75 -2.07 114.58 118.75 3ktk h GLU 178 Ca 0.15 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 3ktk h GLU 178 Cb 0.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3ktk h GLU 178 CO -0.00 0.79 -0.03 0.00 -1.00 0.00 0.00 179.01 178.77 3ktk h ALA 179 N 1.18 0.96 -0.23 3.43 0.00 -0.29 -1.39 119.26 122.93 3ktk h ALA 179 Ca 0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3ktk h ALA 179 Cb 0.87 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3ktk h ALA 179 CO 0.07 0.62 0.04 1.25 0.00 0.00 0.00 179.25 181.24 3ktk h LEU 180 N 0.83 0.36 -1.52 0.00 5.85 -1.05 -1.07 115.31 118.71 3ktk h LEU 180 Ca 0.15 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 3ktk h LEU 180 Cb 0.53 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3ktk h LEU 180 CO 0.03 0.52 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.26 3ktk h GLU 181 N 0.18 0.24 0.00 1.25 4.39 -1.20 -2.45 114.58 116.99 3ktk h GLU 181 Ca 0.07 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 3ktk h GLU 181 Cb 0.31 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3ktk h GLU 181 CO 0.00 0.32 -0.26 -0.92 -1.16 0.00 0.00 179.01 176.99 3ktk h TYR 182 N 0.23 0.00 0.00 4.33 3.20 -1.00 -3.47 116.97 120.26 3ktk h TYR 182 Ca 0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3ktk h TYR 182 Cb 0.26 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.53 3ktk h TYR 182 CO 0.00 0.26 0.00 0.41 -1.64 0.00 0.00 178.16 177.19 3ktk n GLY 183 N 0.91 0.96 0.09 1.82 0.00 -0.79 -4.70 105.19 103.49 3ktk n GLY 183 Ca 0.02 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 3ktk n GLY 183 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ktk h LEU 184 N 0.00 0.29 -9.06 0.99 3.38 -1.46 -3.37 115.31 106.09 3ktk h LEU 184 Ca 0.00 -0.31 -0.43 0.00 0.09 0.00 0.00 57.88 57.23 3ktk h LEU 184 Cb 0.00 -0.09 -0.14 0.00 0.09 0.00 0.00 40.66 40.51 3ktk h LEU 184 CO 0.00 1.25 -0.64 0.27 0.09 0.00 0.00 178.44 179.41 3ktk s ILE 185 N -2.67 1.15 -0.07 1.22 -4.36 -1.21 -4.13 121.20 111.12 3ktk s ILE 185 Ca -0.02 -2.03 0.10 0.00 -0.26 0.00 0.00 60.65 58.44 3ktk s ILE 185 Cb 0.08 -2.56 -0.15 0.00 1.25 0.00 0.00 42.46 41.08 3ktk s ILE 185 CO 0.86 -0.17 0.12 0.47 0.24 0.00 0.00 174.94 176.46 3ktk n ASP 186 N -0.55 2.35 -3.66 4.36 8.00 0.98 -4.54 116.55 123.49 3ktk n ASP 186 Ca -0.04 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.31 3ktk n ASP 186 Cb 0.65 1.06 -0.08 0.00 -0.02 0.00 0.00 41.12 42.73 3ktk n ASP 186 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3ktk s LYS 187 N -2.47 0.80 -0.24 -1.24 2.20 -0.97 -5.00 119.74 112.82 3ktk s LYS 187 Ca -0.05 0.09 -0.07 0.00 -0.36 0.00 0.00 55.97 55.58 3ktk s LYS 187 Cb 0.05 0.37 -0.03 0.00 -1.51 0.00 0.00 37.83 36.71 3ktk s LYS 187 CO 0.46 -0.22 0.07 0.42 -0.36 0.00 0.00 175.35 175.71 3ktk s ILE 188 N -1.07 4.38 0.11 5.43 1.01 -1.26 -2.65 121.20 127.15 3ktk s ILE 188 Ca -0.11 -0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.08 3ktk s ILE 188 Cb -0.03 -3.03 -0.07 0.00 0.01 0.00 0.00 42.46 39.34 3ktk s ILE 188 CO 0.06 0.36 1.21 -0.76 0.00 0.00 0.00 174.94 175.81 3ktk s LEU 189 N 1.40 4.40 0.00 2.97 1.43 -0.43 -4.94 118.68 123.51 3ktk s LEU 189 Ca 0.05 2.12 0.00 0.00 -1.03 0.00 0.00 54.13 55.27 3ktk s LEU 189 Cb -0.15 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.48 3ktk s LEU 189 CO 0.04 -0.44 0.00 0.35 0.23 0.00 0.00 176.35 176.53 3ktk n THR 190 N 3.39 0.00 -0.33 5.49 -2.24 -1.26 -3.76 114.28 115.56 3ktk n THR 190 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3ktk n THR 190 Cb 0.45 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 3ktk n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50