#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 -0.36 5.18 6.09 -2.06 -2.39 117.51 125.21 3ktk h ILE 19 Ca 0.00 -0.56 -0.16 0.00 -1.37 0.00 0.00 64.86 62.77 3ktk h ILE 19 Cb 0.00 0.02 -0.01 0.00 0.47 0.00 0.00 36.82 37.30 3ktk h ILE 19 CO 0.00 0.26 -0.41 1.88 -3.07 0.00 0.00 178.15 176.81 3ktk h TYR 20 N 1.22 1.10 0.00 2.19 0.05 -1.99 -2.55 116.97 116.99 3ktk h TYR 20 Ca 0.32 -0.34 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 3ktk h TYR 20 Cb -0.03 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 37.48 3ktk h TYR 20 CO 0.00 1.17 -0.04 1.03 -1.05 0.00 0.00 178.16 179.27 3ktk h SER 21 N 0.74 0.00 -0.29 3.88 0.87 -1.92 0.03 113.55 116.87 3ktk h SER 21 Ca 0.05 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.45 3ktk h SER 21 Cb 1.01 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.97 3ktk h SER 21 CO 0.10 0.04 -0.47 -0.09 -0.53 0.00 0.00 176.83 175.87 3ktk h ARG 22 N 0.00 0.82 -0.29 2.24 9.65 -1.06 -2.61 114.38 123.13 3ktk h ARG 22 Ca -0.00 -0.51 -0.07 0.00 -1.10 0.00 0.00 59.98 58.30 3ktk h ARG 22 Cb 0.07 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 3ktk h ARG 22 CO 0.00 1.14 -0.13 -0.07 2.80 0.00 0.00 179.97 183.71 3ktk h LEU 23 N 0.59 0.48 -1.13 3.80 3.38 -0.68 -2.29 115.31 119.46 3ktk h LEU 23 Ca 0.02 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 3ktk h LEU 23 Cb 1.08 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3ktk h LEU 23 CO 0.11 0.64 -0.18 0.25 0.09 0.00 0.00 178.44 179.35 3ktk h LEU 24 N 0.46 0.39 -2.34 1.67 5.85 -0.93 -0.33 115.31 120.07 3ktk h LEU 24 Ca 0.08 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3ktk h LEU 24 Cb 0.50 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 3ktk h LEU 24 CO 0.03 0.59 -0.04 0.11 -0.34 0.00 0.00 178.44 178.79 3ktk h LYS 25 N 0.37 0.00 -0.49 1.25 6.56 -1.02 -1.14 116.57 122.10 3ktk h LYS 25 Ca 0.06 0.00 -0.21 0.00 -1.06 0.00 0.00 60.65 59.45 3ktk h LYS 25 Cb 0.53 0.00 -0.12 0.00 -0.57 0.00 0.00 32.23 32.06 3ktk h LYS 25 CO 0.03 0.04 0.10 -0.25 -2.06 0.00 0.00 179.45 177.32 3ktk n ASP 26 N -3.57 3.23 -3.57 0.86 8.00 -0.62 -4.96 116.55 115.92 3ktk n ASP 26 Ca -0.02 -3.54 -0.22 0.00 0.71 0.00 0.00 54.79 51.71 3ktk n ASP 26 Cb 0.14 -0.67 0.08 0.00 -0.02 0.00 0.00 41.12 40.66 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 -0.90 -7.45 -4.06 -1.24 1.74 -0.43 -4.89 116.66 99.43 3ktk n ARG 27 Ca 0.36 0.82 -0.31 0.00 -0.77 0.00 0.00 57.85 57.95 3ktk n ARG 27 Cb 1.16 -5.85 -0.16 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 -3.34 1.78 -0.14 0.55 1.01 -0.23 -0.95 121.20 119.87 3ktk s ILE 28 Ca 0.41 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 60.20 3ktk s ILE 28 Cb -0.18 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 3ktk s ILE 28 CO 0.74 0.45 0.05 -0.63 0.00 0.00 0.00 174.94 175.55 3ktk s ILE 29 N 1.39 4.73 -0.32 2.92 1.01 0.69 -3.32 121.20 128.32 3ktk s ILE 29 Ca 0.04 -0.07 -0.10 0.00 0.00 0.00 0.00 60.65 60.52 3ktk s ILE 29 Cb -0.13 -3.08 -0.01 0.00 0.01 0.00 0.00 42.46 39.25 3ktk s ILE 29 CO -0.11 0.53 0.17 -0.04 0.00 0.00 0.00 174.94 175.49 3ktk s MET 30 N -0.19 3.34 -0.85 2.79 -1.94 -1.26 -0.33 119.30 120.85 3ktk s MET 30 Ca 0.07 -0.73 -0.07 0.00 -1.71 0.00 0.00 55.69 53.26 3ktk s MET 30 Cb -0.12 -3.62 0.22 0.00 2.01 0.00 0.00 34.83 33.32 3ktk s MET 30 CO 0.01 -0.44 0.75 -1.17 -0.01 0.00 0.00 175.02 174.17 3ktk s LEU 31 N 1.63 5.98 -0.35 -0.03 2.96 0.44 -4.89 118.68 124.41 3ktk s LEU 31 Ca 0.05 -3.18 0.08 0.00 -0.22 0.00 0.00 54.13 50.86 3ktk s LEU 31 Cb -0.17 -2.04 0.45 0.00 0.50 0.00 0.00 46.19 44.92 3ktk s LEU 31 CO 0.07 -0.36 1.13 0.61 -1.32 0.00 0.00 176.35 176.48 3ktk n GLY 32 N 3.18 5.51 3.63 7.98 0.00 -1.26 -1.09 105.19 123.14 3ktk n GLY 32 Ca 0.16 -2.48 -0.10 0.00 0.00 0.00 0.00 46.02 43.60 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 -3.56 -0.42 0.74 1.61 1.04 -1.23 -4.87 113.70 107.02 3ktk s SER 33 Ca 0.46 -0.28 -0.16 0.00 0.48 0.00 0.00 55.95 56.45 3ktk s SER 33 Cb 0.40 0.65 0.00 0.00 0.10 0.00 0.00 66.02 67.18 3ktk s SER 33 CO -0.06 -1.14 0.83 0.00 0.98 0.00 0.00 173.24 173.85 3ktk n ALA 34 N -0.42 -0.72 -2.53 5.32 0.00 -1.26 -4.60 120.51 116.30 3ktk n ALA 34 Ca -0.11 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.67 3ktk n ALA 34 Cb 0.62 -2.03 -0.08 0.00 0.00 0.00 0.00 19.45 17.96 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 -1.91 5.00 0.37 0.00 1.01 0.24 -4.88 121.20 121.04 3ktk s ILE 35 Ca 0.70 0.13 0.04 0.00 0.00 0.00 0.00 60.65 61.51 3ktk s ILE 35 Cb -0.33 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.07 3ktk s ILE 35 CO 0.54 -0.33 0.08 1.51 0.00 0.00 0.00 174.94 176.73 3ktk s ASP 36 N 1.82 2.71 0.33 3.58 -4.77 -1.26 -0.67 116.67 118.41 3ktk s ASP 36 Ca 0.18 -1.51 0.09 0.00 -3.30 0.00 0.00 52.55 48.01 3ktk s ASP 36 Cb -0.16 0.17 0.81 0.00 -1.09 0.00 0.00 42.92 42.65 3ktk s ASP 36 CO 0.14 -0.74 1.80 0.44 0.70 0.00 0.00 175.17 177.52 3ktk h ASP 37 N 1.92 0.70 0.53 2.11 3.45 -1.96 0.63 116.42 123.80 3ktk h ASP 37 Ca -0.39 0.08 -0.03 0.00 0.43 0.00 0.00 57.03 57.12 3ktk h ASP 37 Cb 1.26 -0.05 0.01 0.00 -0.56 0.00 0.00 39.33 39.99 3ktk h ASP 37 CO 0.66 0.27 -0.25 0.78 -1.57 0.00 0.00 179.24 179.12 3ktk h ASN 38 N 0.69 -0.60 -0.48 6.45 2.35 -1.99 0.95 115.58 122.96 3ktk h ASN 38 Ca 0.54 -0.02 0.07 0.00 -0.55 0.00 0.00 56.30 56.34 3ktk h ASN 38 Cb 0.94 0.16 -0.06 0.00 0.05 0.00 0.00 38.32 39.40 3ktk h ASN 38 CO -0.32 -0.35 0.15 0.58 -1.65 0.00 0.00 177.43 175.84 3ktk h VAL 39 N -0.81 0.81 -0.23 2.81 2.07 -1.74 -1.50 116.25 117.65 3ktk h VAL 39 Ca -0.07 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.36 3ktk h VAL 39 Cb 0.59 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3ktk h VAL 39 CO 0.12 0.06 0.08 0.00 0.02 0.00 0.00 177.57 177.85 3ktk h ALA 40 N 1.33 0.26 -0.48 1.67 0.00 -0.76 -0.92 119.26 120.36 3ktk h ALA 40 Ca 0.23 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3ktk h ALA 40 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3ktk h ALA 40 CO -0.26 -0.33 0.16 -0.91 0.00 0.00 0.00 179.25 177.91 3ktk h ASN 41 N 0.20 0.64 0.11 0.00 2.35 -0.32 -0.69 115.58 117.86 3ktk h ASN 41 Ca 0.10 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3ktk h ASN 41 Cb 0.06 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.27 3ktk h ASN 41 CO -0.10 0.61 -0.05 -1.28 -1.65 0.00 0.00 177.43 174.96 3ktk h SER 42 N 0.69 -0.12 -0.46 5.81 0.87 -0.86 -1.02 113.55 118.46 3ktk h SER 42 Ca 0.16 -0.25 0.04 0.00 -1.23 0.00 0.00 61.79 60.52 3ktk h SER 42 Cb 0.19 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 3ktk h SER 42 CO -0.01 0.19 0.22 0.40 -0.53 0.00 0.00 176.83 177.10 3ktk h ILE 43 N -0.44 0.94 -0.43 2.23 1.08 -0.97 -0.42 117.51 119.50 3ktk h ILE 43 Ca -0.01 -0.15 0.01 0.00 -0.39 0.00 0.00 64.86 64.32 3ktk h ILE 43 Cb 0.36 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.56 3ktk h ILE 43 CO 0.02 0.08 0.27 0.58 -0.69 0.00 0.00 178.15 178.41 3ktk h VAL 44 N 0.43 1.07 -0.37 1.67 2.07 -1.07 -0.41 116.25 119.64 3ktk h VAL 44 Ca 0.20 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3ktk h VAL 44 Cb 0.13 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3ktk h VAL 44 CO -0.16 0.10 0.21 0.28 0.02 0.00 0.00 177.57 178.02 3ktk h SER 45 N 0.54 0.46 -0.88 0.57 0.02 -0.68 -1.38 113.55 112.20 3ktk h SER 45 Ca 0.17 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3ktk h SER 45 Cb -0.01 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 3ktk h SER 45 CO -0.07 0.40 0.58 1.56 -1.14 0.00 0.00 176.83 178.17 3ktk h GLN 46 N 0.47 1.16 -0.40 3.45 4.20 -0.74 0.19 115.11 123.44 3ktk h GLN 46 Ca 0.13 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 3ktk h GLN 46 Cb 0.05 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 3ktk h GLN 46 CO -0.02 0.77 0.15 -0.07 -0.67 0.00 0.00 178.83 178.99 3ktk h LEU 47 N 1.19 0.56 -0.62 1.46 3.38 -0.75 0.17 115.31 120.71 3ktk h LEU 47 Ca 0.32 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 3ktk h LEU 47 Cb -0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3ktk h LEU 47 CO -0.07 0.59 0.06 -0.07 0.09 0.00 0.00 178.44 179.04 3ktk h LEU 48 N 0.51 1.02 0.72 1.67 3.38 -0.90 -1.50 115.31 120.20 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 0.21 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3ktk h LEU 48 CO -0.01 1.04 -0.39 0.15 0.09 0.00 0.00 178.44 179.32 3ktk h PHE 49 N 0.96 -1.02 -0.89 1.13 3.57 -0.33 -0.29 116.94 120.08 3ktk h PHE 49 Ca 0.18 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.74 3ktk h PHE 49 Cb 0.48 0.35 -0.06 0.00 2.79 0.00 0.00 35.95 39.51 3ktk h PHE 49 CO 0.04 -0.61 0.58 -0.07 -2.23 0.00 0.00 178.31 176.01 3ktk h LEU 50 N -1.03 0.85 -1.14 0.59 3.38 -0.95 -0.09 115.31 116.93 3ktk h LEU 50 Ca -0.10 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3ktk h LEU 50 Cb 0.81 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3ktk h LEU 50 CO 0.13 0.53 -0.38 0.00 0.09 0.00 0.00 178.44 178.81 3ktk h ALA 51 N 1.53 1.28 -0.19 1.53 0.00 -1.07 -2.14 119.26 120.21 3ktk h ALA 51 Ca 0.39 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 3ktk h ALA 51 Cb 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ktk h ALA 51 CO -0.16 0.52 -0.56 0.00 0.00 0.00 0.00 179.25 179.04 3ktk h ALA 52 N 1.54 0.33 -0.50 0.00 0.00 0.73 -2.72 119.26 118.63 3ktk h ALA 52 Ca 0.01 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 3ktk h ALA 52 Cb 0.71 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3ktk h ALA 52 CO 0.05 0.55 -0.02 0.93 0.00 0.00 0.00 179.25 180.76 3ktk h GLU 53 N 0.43 0.86 -1.03 0.00 5.08 -1.00 -3.41 114.58 115.51 3ktk h GLU 53 Ca -0.02 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 58.11 3ktk h GLU 53 Cb 1.18 -0.09 -0.21 0.00 0.50 0.00 0.00 28.75 30.13 3ktk h GLU 53 CO 0.12 0.88 -0.39 0.34 -1.00 0.00 0.00 179.01 178.96 3ktk s ASP 54 N -6.64 -1.54 0.00 1.42 -1.08 -0.83 -5.01 116.67 103.00 3ktk s ASP 54 Ca -0.10 0.16 0.10 0.00 -0.52 0.00 0.00 52.55 52.19 3ktk s ASP 54 Cb 0.14 1.99 0.59 0.00 -1.46 0.00 0.00 42.92 44.19 3ktk s ASP 54 CO 0.83 -0.30 1.08 -0.81 0.52 0.00 0.00 175.17 176.48 3ktk n PRO 55 N 5.41 0.59 -0.09 4.34 -0.04 -1.03 -3.58 135.00 140.60 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 -1.26 -0.06 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.76 0.44 -1.72 0.54 -0.58 -1.26 -3.20 120.64 114.09 3ktk n GLU 56 Ca 0.07 0.19 -0.42 0.00 -0.42 0.00 0.00 57.16 56.58 3ktk n GLU 56 Cb 0.03 -1.25 -0.03 0.00 -0.57 0.00 0.00 31.44 29.63 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 -2.47 4.12 0.94 3.49 1.02 -1.23 -4.68 119.74 120.93 3ktk s LYS 57 Ca -0.28 2.61 -0.11 0.00 0.02 0.00 0.00 55.97 58.21 3ktk s LYS 57 Cb 0.09 -3.09 0.16 0.00 -0.52 0.00 0.00 37.83 34.47 3ktk s LYS 57 CO 0.36 -0.76 1.09 -1.83 -0.92 0.00 0.00 175.35 173.29 3ktk s GLU 58 N 1.23 0.88 0.05 1.68 -1.05 -1.26 -4.68 118.70 115.56 3ktk s GLU 58 Ca 0.75 1.01 0.09 0.00 -0.15 0.00 0.00 54.97 56.67 3ktk s GLU 58 Cb -0.50 -1.75 -0.03 0.00 -0.44 0.00 0.00 34.13 31.41 3ktk s GLU 58 CO 0.32 -2.55 -0.25 0.42 0.95 0.00 0.00 175.26 174.15 3ktk s ILE 59 N -2.78 2.01 -0.19 1.83 1.01 -0.52 -4.93 121.20 117.62 3ktk s ILE 59 Ca 0.65 -1.37 -0.03 0.00 0.00 0.00 0.00 60.65 59.90 3ktk s ILE 59 Cb -0.20 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 3ktk s ILE 59 CO 0.58 0.29 -0.07 -0.44 0.00 0.00 0.00 174.94 175.30 3ktk s SER 60 N -1.31 4.21 -0.37 3.58 0.01 -0.13 -0.78 113.70 118.92 3ktk s SER 60 Ca 0.11 -0.36 -0.09 0.00 1.31 0.00 0.00 55.95 56.92 3ktk s SER 60 Cb -0.10 -1.70 0.04 0.00 0.21 0.00 0.00 66.02 64.48 3ktk s SER 60 CO 0.02 0.05 0.18 -0.22 0.41 0.00 0.00 173.24 173.68 3ktk s LEU 61 N 1.06 4.65 -0.08 2.44 2.96 0.74 -0.22 118.68 130.22 3ktk s LEU 61 Ca 0.00 -1.15 -0.23 0.00 -0.22 0.00 0.00 54.13 52.54 3ktk s LEU 61 Cb -0.15 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 3ktk s LEU 61 CO -0.01 -0.39 0.68 -0.31 -1.32 0.00 0.00 176.35 175.00 3ktk s TYR 62 N 1.47 3.55 -0.11 5.38 2.02 0.55 -1.88 117.35 128.33 3ktk s TYR 62 Ca 0.01 1.20 0.03 0.00 -0.37 0.00 0.00 57.07 57.94 3ktk s TYR 62 Cb -0.20 -2.79 0.00 0.00 -0.40 0.00 0.00 41.96 38.57 3ktk s TYR 62 CO 0.04 0.07 -0.22 0.42 -1.57 0.00 0.00 175.55 174.29 3ktk s ILE 63 N 0.90 2.17 -0.47 2.71 1.01 0.73 -0.42 121.20 127.83 3ktk s ILE 63 Ca 0.36 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 60.10 3ktk s ILE 63 Cb -0.17 -1.85 0.21 0.00 0.01 0.00 0.00 42.46 40.66 3ktk s ILE 63 CO 0.17 0.55 0.67 -3.20 0.00 0.00 0.00 174.94 173.13 3ktk n ASN 64 N 3.65 -2.12 -4.01 3.58 5.15 -0.25 -0.52 115.26 120.74 3ktk n ASN 64 Ca -0.19 -2.89 -0.13 0.00 -0.60 0.00 0.00 54.58 50.77 3ktk n ASN 64 Cb 0.53 0.94 -0.12 0.00 -0.53 0.00 0.00 39.78 40.59 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 -0.39 0.61 0.00 1.20 0.15 -0.58 -3.54 113.70 111.15 3ktk s SER 65 Ca 0.32 -0.41 0.28 0.00 0.70 0.00 0.00 55.95 56.84 3ktk s SER 65 Cb 0.10 0.03 1.03 0.00 -1.71 0.00 0.00 66.02 65.47 3ktk s SER 65 CO -0.15 -0.16 1.75 -0.81 1.20 0.00 0.00 173.24 175.08 3ktk n PRO 66 N 1.91 0.42 0.00 5.44 -0.04 -1.26 -1.59 135.00 139.88 3ktk n PRO 66 Ca -0.20 -0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 3ktk n PRO 66 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 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 1.37 -0.37 0.00 0.55 0.00 -1.14 -4.15 105.19 101.45 3ktk n GLY 67 Ca 0.11 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.40 3.74 -0.02 0.00 -1.26 0.82 105.19 108.07 3ktk n GLY 68 Ca 0.00 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 3ktk n GLY 68 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ktk n SER 69 N 0.00 3.80 -0.10 1.61 2.88 0.15 -4.81 113.62 117.16 3ktk n SER 69 Ca 0.00 1.14 -0.12 0.00 -1.33 0.00 0.00 58.87 58.56 3ktk n SER 69 Cb 0.00 -1.58 -0.04 0.00 -0.75 0.00 0.00 64.21 61.84 3ktk n SER 69 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3ktk h ILE 70 N 3.36 1.29 0.00 2.46 2.04 -1.97 -1.64 117.51 123.05 3ktk h ILE 70 Ca -0.47 -1.24 -0.06 0.00 1.00 0.00 0.00 64.86 64.09 3ktk h ILE 70 Cb 1.23 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 3ktk h ILE 70 CO 0.80 0.40 -0.27 0.71 0.00 0.00 0.00 178.15 179.78 3ktk h THR 71 N 0.36 0.83 -0.12 -0.27 1.35 -1.99 -1.47 112.91 111.60 3ktk h THR 71 Ca 0.06 -1.10 -0.17 0.00 -0.55 0.00 0.00 66.41 64.65 3ktk h THR 71 Cb 0.67 1.67 0.01 0.00 -1.73 0.00 0.00 68.15 68.76 3ktk h THR 71 CO 0.04 0.27 -0.60 0.00 -0.25 0.00 0.00 175.52 174.99 3ktk h ALA 72 N 1.73 0.24 -0.65 6.62 0.00 -1.88 -2.48 119.26 122.83 3ktk h ALA 72 Ca -0.00 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 3ktk h ALA 72 Cb 0.65 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3ktk h ALA 72 CO 0.04 0.49 0.08 0.78 0.00 0.00 0.00 179.25 180.63 3ktk h GLY 73 N 0.27 1.19 2.00 0.00 0.00 -0.98 -2.58 103.07 102.96 3ktk h GLY 73 Ca -0.04 -0.81 -0.05 0.00 0.00 0.00 0.00 47.33 46.42 3ktk h GLY 73 CO 0.12 0.75 -0.26 -0.33 0.00 0.00 0.00 176.54 176.83 3ktk h MET 74 N 1.02 0.00 -0.37 4.80 2.86 -1.28 0.24 114.93 122.20 3ktk h MET 74 Ca 0.19 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.80 3ktk h MET 74 Cb 0.48 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 3ktk h MET 74 CO 0.02 0.26 0.08 0.00 1.06 0.00 0.00 176.91 178.33 3ktk h ALA 75 N 1.74 0.49 0.02 6.32 0.00 -1.06 0.36 119.26 127.13 3ktk h ALA 75 Ca -0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3ktk h ALA 75 Cb 0.55 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3ktk h ALA 75 CO 0.03 0.17 -0.01 0.82 0.00 0.00 0.00 179.25 180.26 3ktk h ILE 76 N 0.45 1.13 -0.13 0.00 2.04 -1.04 -2.29 117.51 117.67 3ktk h ILE 76 Ca 0.11 -0.48 0.04 0.00 1.00 0.00 0.00 64.86 65.53 3ktk h ILE 76 Cb 0.32 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.81 3ktk h ILE 76 CO 0.00 0.12 -0.14 0.22 0.00 0.00 0.00 178.15 178.35 3ktk h TYR 77 N -0.24 -0.36 -0.66 1.37 3.20 -0.34 -0.16 116.97 119.78 3ktk h TYR 77 Ca -0.00 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.95 3ktk h TYR 77 Cb 0.23 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.64 3ktk h TYR 77 CO -0.00 -0.21 0.43 -0.44 -1.64 0.00 0.00 178.16 176.30 3ktk h ASP 78 N -0.17 0.60 -0.17 -2.11 3.45 -0.27 -1.40 116.42 116.35 3ktk h ASP 78 Ca 0.09 0.00 -0.20 0.00 0.43 0.00 0.00 57.03 57.35 3ktk h ASP 78 Cb 0.31 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 3ktk h ASP 78 CO -0.24 0.39 -0.67 0.74 -1.57 0.00 0.00 179.24 177.89 3ktk h THR 79 N 0.68 1.28 -0.84 0.35 2.02 -0.78 -1.16 112.91 114.47 3ktk h THR 79 Ca 0.28 -1.87 0.08 0.00 0.77 0.00 0.00 66.41 65.67 3ktk h THR 79 Cb 0.24 1.83 -0.07 0.00 -1.74 0.00 0.00 68.15 68.41 3ktk h THR 79 CO -0.09 0.60 0.50 0.24 0.37 0.00 0.00 175.52 177.14 3ktk h MET 80 N 0.58 0.83 -0.13 6.66 2.86 -0.02 -2.28 114.93 123.43 3ktk h MET 80 Ca -0.02 -0.05 -0.21 0.00 -2.06 0.00 0.00 59.70 57.36 3ktk h MET 80 Cb 1.29 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.76 3ktk h MET 80 CO 0.14 0.55 -0.74 1.96 1.06 0.00 0.00 176.91 179.88 3ktk h GLN 81 N 0.86 0.65 0.08 1.72 1.08 -1.20 -3.35 115.11 114.95 3ktk h GLN 81 Ca 0.39 -0.52 -0.00 0.00 -1.45 0.00 0.00 58.65 57.07 3ktk h GLN 81 Cb 0.30 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 3ktk h GLN 81 CO -0.22 1.14 -0.04 0.35 -0.95 0.00 0.00 178.83 179.11 3ktk h PHE 82 N 0.45 -0.10 -4.16 2.96 3.57 -0.65 -3.45 116.94 115.56 3ktk h PHE 82 Ca -0.04 -0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.93 3ktk h PHE 82 Cb 1.35 0.03 0.14 0.00 2.79 0.00 0.00 35.95 40.26 3ktk h PHE 82 CO 0.07 0.08 0.41 0.96 -2.23 0.00 0.00 178.31 177.60 3ktk s ILE 83 N -5.51 2.55 0.01 1.41 -4.36 -0.98 -4.97 121.20 109.35 3ktk s ILE 83 Ca -0.14 0.29 -0.22 0.00 -0.26 0.00 0.00 60.65 60.32 3ktk s ILE 83 Cb 0.04 -2.90 -0.17 0.00 1.25 0.00 0.00 42.46 40.68 3ktk s ILE 83 CO 0.65 -0.13 1.26 0.11 0.24 0.00 0.00 174.94 177.07 3ktk h LYS 84 N 0.08 0.29 -6.55 0.37 6.56 -1.87 -3.46 116.57 111.99 3ktk h LYS 84 Ca -0.48 -0.19 -0.59 0.00 -1.06 0.00 0.00 60.65 58.33 3ktk h LYS 84 Cb 1.29 0.02 0.12 0.00 -0.57 0.00 0.00 32.23 33.09 3ktk h LYS 84 CO 0.52 0.77 0.13 -2.30 -2.06 0.00 0.00 179.45 176.51 3ktk n PRO 85 N -4.55 1.34 -2.77 3.15 -0.02 -1.19 -4.91 135.00 126.05 3ktk n PRO 85 Ca -0.07 0.48 -0.41 0.00 -2.02 0.00 0.00 63.50 61.47 3ktk n PRO 85 Cb 0.40 -1.93 -0.04 0.00 -0.02 0.00 0.00 33.50 31.91 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 -1.77 4.61 -0.31 -0.52 1.02 -1.26 -4.85 119.74 116.66 3ktk s LYS 86 Ca 0.61 1.36 -0.10 0.00 0.02 0.00 0.00 55.97 57.86 3ktk s LYS 86 Cb -0.62 -3.41 -0.01 0.00 -0.52 0.00 0.00 37.83 33.26 3ktk s LYS 86 CO 0.59 0.12 0.17 0.08 -0.92 0.00 0.00 175.35 175.39 3ktk s VAL 87 N 0.40 4.79 0.12 3.17 1.01 -1.26 -1.44 120.40 127.18 3ktk s VAL 87 Ca 0.47 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 3ktk s VAL 87 Cb -0.22 -3.42 -0.06 0.00 0.00 0.00 0.00 36.38 32.68 3ktk s VAL 87 CO 0.28 0.08 0.38 -0.94 0.00 0.00 0.00 175.10 174.89 3ktk s SER 88 N 1.65 6.53 -0.02 3.32 1.04 0.04 -0.02 113.70 126.23 3ktk s SER 88 Ca 0.05 0.64 0.07 0.00 0.48 0.00 0.00 55.95 57.19 3ktk s SER 88 Cb -0.17 -2.11 -0.02 0.00 0.10 0.00 0.00 66.02 63.82 3ktk s SER 88 CO 0.07 0.10 -0.22 0.42 0.98 0.00 0.00 173.24 174.59 3ktk s THR 89 N -1.57 1.78 -0.16 2.02 -4.23 -0.90 -0.18 115.64 112.40 3ktk s THR 89 Ca 0.38 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 3ktk s THR 89 Cb -0.13 -1.48 0.03 0.00 1.34 0.00 0.00 72.50 72.26 3ktk s THR 89 CO 0.22 0.50 -0.12 -0.63 -0.54 0.00 0.00 174.62 174.06 3ktk s ILE 90 N -0.45 1.48 -0.34 2.99 1.09 -0.79 0.22 121.20 125.40 3ktk s ILE 90 Ca 0.06 -0.67 -0.24 0.00 -1.10 0.00 0.00 60.65 58.70 3ktk s ILE 90 Cb -0.09 -1.46 0.01 0.00 -1.06 0.00 0.00 42.46 39.85 3ktk s ILE 90 CO -0.00 0.36 0.82 0.00 -0.10 0.00 0.00 174.94 176.02 3ktk s ILE 92 N 3.14 1.95 0.00 0.00 2.07 0.32 -2.44 121.20 126.25 3ktk s ILE 92 Ca 0.33 -1.02 0.00 0.00 -1.41 0.00 0.00 60.65 58.55 3ktk s ILE 92 Cb -0.13 -1.85 0.00 0.00 0.13 0.00 0.00 42.46 40.60 3ktk s ILE 92 CO 0.16 0.38 0.00 0.61 -1.91 0.00 0.00 174.94 174.18 3ktk n GLY 93 N 4.62 1.30 2.92 1.50 0.00 -1.26 -4.09 105.19 110.18 3ktk n GLY 93 Ca -0.18 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.18 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 0.29 -0.39 1.61 -2.45 -1.26 -1.48 119.30 115.61 3ktk s MET 94 Ca 0.00 -0.11 0.01 0.00 -1.25 0.00 0.00 55.69 54.35 3ktk s MET 94 Cb 0.00 -0.30 0.12 0.00 1.25 0.00 0.00 34.83 35.91 3ktk s MET 94 CO 0.00 0.06 0.18 0.00 1.05 0.00 0.00 175.02 176.31 3ktk s ALA 95 N 0.02 2.07 0.14 4.11 0.00 0.14 -1.53 121.76 126.71 3ktk s ALA 95 Ca 0.00 -2.33 0.08 0.00 0.00 0.00 0.00 51.96 49.71 3ktk s ALA 95 Cb -0.02 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 3ktk s ALA 95 CO -0.00 -1.91 -0.13 0.00 0.00 0.00 0.00 175.76 173.72 3ktk s ALA 96 N 0.77 2.86 0.00 0.00 0.00 -0.62 -1.30 121.76 123.46 3ktk s ALA 96 Ca 0.15 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.72 3ktk s ALA 96 Cb -0.22 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.16 3ktk s ALA 96 CO -0.08 0.55 0.00 0.45 0.00 0.00 0.00 175.76 176.68 3ktk n SER 97 N 0.45 0.00 0.33 0.00 2.88 0.23 -1.20 113.62 116.32 3ktk n SER 97 Ca -0.13 0.00 0.22 0.00 -1.33 0.00 0.00 58.87 57.63 3ktk n SER 97 Cb 0.54 0.00 1.20 0.00 -0.75 0.00 0.00 64.21 65.20 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 -0.25 -1.46 1.85 -1.87 0.22 114.93 113.41 3ktk h MET 98 Ca 0.00 0.00 -0.19 0.00 -0.61 0.00 0.00 59.70 58.90 3ktk h MET 98 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 3ktk h MET 98 CO 0.00 0.00 -0.59 0.78 -0.40 0.00 0.00 176.91 176.70 3ktk h GLY 99 N 0.00 0.90 1.25 1.39 0.00 -1.43 -0.37 103.07 104.82 3ktk h GLY 99 Ca 0.00 -1.09 -0.10 0.00 0.00 0.00 0.00 47.33 46.14 3ktk h GLY 99 CO 0.00 0.98 -0.10 0.00 0.00 0.00 0.00 176.54 177.42 3ktk h ALA 100 N 0.70 0.91 -0.34 3.60 0.00 -0.60 -0.86 119.26 122.68 3ktk h ALA 100 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.59 3ktk h ALA 100 Cb 1.20 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3ktk h ALA 100 CO 0.13 0.63 0.21 0.35 0.00 0.00 0.00 179.25 180.57 3ktk h PHE 101 N 0.80 0.40 -0.58 0.00 3.57 -1.03 -0.54 116.94 119.55 3ktk h PHE 101 Ca 0.13 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 3ktk h PHE 101 Cb 0.61 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 3ktk h PHE 101 CO 0.04 0.24 0.11 -0.07 -2.23 0.00 0.00 178.31 176.40 3ktk h LEU 102 N 0.43 0.86 -0.11 0.59 3.38 -0.77 -0.86 115.31 118.84 3ktk h LEU 102 Ca 0.13 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ktk h LEU 102 Cb -0.02 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3ktk h LEU 102 CO -0.05 0.86 0.07 0.25 0.09 0.00 0.00 178.44 179.67 3ktk h LEU 103 N 0.87 0.12 -2.27 1.67 5.85 -0.51 -1.13 115.31 119.91 3ktk h LEU 103 Ca 0.18 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 3ktk h LEU 103 Cb 0.36 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 3ktk h LEU 103 CO 0.01 0.09 -0.05 0.00 -0.34 0.00 0.00 178.44 178.15 3ktk h ALA 104 N 1.04 1.39 0.00 1.25 0.00 -0.65 -1.80 119.26 120.49 3ktk h ALA 104 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ktk h ALA 104 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3ktk h ALA 104 CO -0.01 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.30 3ktk n ALA 105 N -2.29 2.12 -0.92 0.00 0.00 -0.37 -4.87 120.51 114.18 3ktk n ALA 105 Ca -0.02 -0.08 -0.33 0.00 0.00 0.00 0.00 53.44 53.00 3ktk n ALA 105 Cb 0.15 -1.39 0.14 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 1.01 -0.41 3.67 0.00 0.00 -0.68 -4.83 105.19 103.95 3ktk n GLY 106 Ca 0.06 -0.59 -0.54 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.37 1.41 -1.67 1.61 4.07 0.96 -4.81 120.64 118.85 3ktk n GLU 107 Ca 0.12 0.51 -0.52 0.00 -0.06 0.00 0.00 57.16 57.22 3ktk n GLU 107 Cb 0.51 -2.22 -0.06 0.00 -0.06 0.00 0.00 31.44 29.61 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 4.69 1.57 0.00 5.31 3.00 -1.26 -0.12 118.16 131.35 3ktk n LYS 108 Ca 0.23 0.57 0.00 0.00 -0.00 0.00 0.00 58.31 59.11 3ktk n LYS 108 Cb 0.19 -2.30 0.00 0.00 0.00 0.00 0.00 35.03 32.92 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 3.73 2.87 2.00 3.14 0.00 -1.26 -4.91 105.19 110.76 3ktk n GLY 109 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.96 3.57 -3.87 1.61 5.02 0.83 -4.84 118.16 118.53 3ktk n LYS 110 Ca 0.00 -4.14 -0.36 0.00 -2.02 0.00 0.00 58.31 51.79 3ktk n LYS 110 Cb 0.00 -2.27 -0.13 0.00 -0.02 0.00 0.00 35.03 32.61 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 2.64 0.41 1.97 0.52 -1.25 -2.13 118.95 117.52 3ktk s ARG 111 Ca 0.51 -1.13 0.07 0.00 -0.52 0.00 0.00 55.73 54.66 3ktk s ARG 111 Cb 0.41 -3.22 -0.05 0.00 0.52 0.00 0.00 34.95 32.61 3ktk s ARG 111 CO 0.04 -0.56 0.17 0.71 0.02 0.00 0.00 175.30 175.67 3ktk s TYR 112 N 1.33 2.60 -0.10 -0.53 1.51 0.13 0.35 117.35 122.65 3ktk s TYR 112 Ca -0.02 -0.59 -0.25 0.00 -1.01 0.00 0.00 57.07 55.20 3ktk s TYR 112 Cb -0.19 -1.95 0.06 0.00 -0.11 0.00 0.00 41.96 39.77 3ktk s TYR 112 CO -0.01 0.21 0.58 0.00 -1.11 0.00 0.00 175.55 175.22 3ktk s ALA 113 N -2.61 -1.48 0.55 3.71 0.00 -1.09 -0.71 121.76 120.13 3ktk s ALA 113 Ca 0.41 1.23 -0.09 0.00 0.00 0.00 0.00 51.96 53.50 3ktk s ALA 113 Cb 0.04 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 3ktk s ALA 113 CO 0.22 -0.32 0.93 -0.51 0.00 0.00 0.00 175.76 176.08 3ktk s LEU 114 N -0.77 3.43 0.30 0.00 1.43 -1.02 -1.49 118.68 120.57 3ktk s LEU 114 Ca -0.08 1.25 0.01 0.00 -1.03 0.00 0.00 54.13 54.28 3ktk s LEU 114 Cb -0.02 -4.25 0.73 0.00 0.03 0.00 0.00 46.19 42.67 3ktk s LEU 114 CO 0.06 -0.72 1.57 -0.65 0.23 0.00 0.00 176.35 176.84 3ktk h PRO 115 N 0.06 0.01 -0.47 1.29 0.11 -1.93 -0.55 132.00 130.52 3ktk h PRO 115 Ca -0.45 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 3ktk h PRO 115 Cb 1.19 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 3ktk h PRO 115 CO 0.62 0.01 0.05 0.09 -0.21 0.00 0.00 178.00 178.55 3ktk n ASN 116 N -5.50 4.66 -4.73 -2.05 4.13 -1.26 -4.44 115.26 106.07 3ktk n ASN 116 Ca 0.22 -3.07 -0.32 0.00 1.68 0.00 0.00 54.58 53.09 3ktk n ASN 116 Cb 0.73 -0.64 0.11 0.00 -1.54 0.00 0.00 39.78 38.44 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 -1.40 4.10 -0.03 6.41 0.01 -0.22 -4.85 113.70 117.72 3ktk s SER 117 Ca 0.49 2.04 0.04 0.00 1.31 0.00 0.00 55.95 59.84 3ktk s SER 117 Cb 0.39 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 64.07 3ktk s SER 117 CO 0.12 -2.31 -0.16 -0.70 0.41 0.00 0.00 173.24 170.60 3ktk s GLU 118 N -4.54 1.59 -0.10 12.44 2.12 -0.55 -3.30 118.70 126.34 3ktk s GLU 118 Ca 0.66 -0.57 0.01 0.00 0.36 0.00 0.00 54.97 55.43 3ktk s GLU 118 Cb -0.21 -1.42 0.02 0.00 0.26 0.00 0.00 34.13 32.78 3ktk s GLU 118 CO 0.52 0.26 -0.13 0.08 -0.54 0.00 0.00 175.26 175.45 3ktk s VAL 119 N -0.05 1.33 -0.09 3.70 1.01 -0.07 -0.69 120.40 125.55 3ktk s VAL 119 Ca -0.01 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3ktk s VAL 119 Cb -0.10 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.05 3ktk s VAL 119 CO 0.01 0.41 -0.14 -0.32 0.00 0.00 0.00 175.10 175.06 3ktk s MET 120 N 1.12 2.05 -0.02 2.72 0.00 -0.42 0.62 119.30 125.37 3ktk s MET 120 Ca -0.05 -0.51 0.06 0.00 0.00 0.00 0.00 55.69 55.20 3ktk s MET 120 Cb -0.14 -1.73 -0.02 0.00 0.00 0.00 0.00 34.83 32.94 3ktk s MET 120 CO -0.03 -0.03 -0.21 0.96 0.00 0.00 0.00 175.02 175.71 3ktk s ILE 121 N 0.88 2.49 0.20 10.11 -4.36 -0.98 -0.60 121.20 128.93 3ktk s ILE 121 Ca -0.10 -1.00 -0.05 0.00 -0.26 0.00 0.00 60.65 59.24 3ktk s ILE 121 Cb -0.15 -1.93 0.02 0.00 1.25 0.00 0.00 42.46 41.64 3ktk s ILE 121 CO 0.01 0.55 0.36 0.00 0.24 0.00 0.00 174.94 176.09 3ktk n HIS 122 N 2.26 -1.47 -3.01 1.37 1.44 -1.26 -2.06 115.22 112.48 3ktk n HIS 122 Ca -0.16 -1.03 -0.25 0.00 -2.01 0.00 0.00 57.72 54.26 3ktk n HIS 122 Cb 0.52 0.41 -0.00 0.00 0.12 0.00 0.00 29.99 31.04 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 -2.16 3.46 0.71 -1.40 -2.07 -0.61 -4.94 119.66 112.65 3ktk s GLN 123 Ca 0.10 -0.11 -0.16 0.00 -1.82 0.00 0.00 55.36 53.37 3ktk s GLN 123 Cb -0.02 -2.52 0.01 0.00 -1.09 0.00 0.00 33.01 29.39 3ktk s GLN 123 CO 0.08 -0.05 1.10 -2.30 -1.32 0.00 0.00 175.29 172.79 3ktk n PRO 124 N -2.03 0.64 -4.98 9.60 -0.02 -1.26 -5.03 135.00 131.92 3ktk n PRO 124 Ca -0.02 0.28 -0.31 0.00 -2.02 0.00 0.00 63.50 61.43 3ktk n PRO 124 Cb 0.56 -2.35 -0.14 0.00 -0.02 0.00 0.00 33.50 31.55 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 -3.86 2.32 0.00 2.45 1.43 -1.26 -5.10 118.68 114.66 3ktk s LEU 125 Ca 0.76 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 3ktk s LEU 125 Cb -0.35 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.47 3ktk s LEU 125 CO 0.47 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.95 3ktk n GLY 126 N 2.02 2.22 3.39 -3.19 0.00 -1.26 -5.06 105.19 103.32 3ktk n GLY 126 Ca -0.16 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.68 -0.47 -0.10 -0.02 0.00 -1.26 -5.16 107.32 99.62 3ktk s GLY 127 Ca 0.00 0.45 -0.06 0.00 0.00 0.00 0.00 44.72 45.11 3ktk s GLY 127 CO 0.00 0.14 0.24 0.00 0.00 0.00 0.00 173.10 173.48 3ktk s ALA 128 N -3.19 -0.57 0.04 3.20 0.00 -1.26 -4.97 121.76 115.01 3ktk s ALA 128 Ca -0.01 0.87 0.02 0.00 0.00 0.00 0.00 51.96 52.84 3ktk s ALA 128 Cb -0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 3ktk s ALA 128 CO -0.08 -0.16 -0.08 -1.14 0.00 0.00 0.00 175.76 174.30 3ktk s GLN 129 N 0.83 0.55 0.00 0.00 2.00 -1.26 -4.98 119.66 116.79 3ktk s GLN 129 Ca -0.06 -0.75 0.00 0.00 -2.00 0.00 0.00 55.36 52.55 3ktk s GLN 129 Cb -0.07 -0.34 0.00 0.00 0.80 0.00 0.00 33.01 33.40 3ktk s GLN 129 CO -0.05 0.06 0.00 0.41 -0.50 0.00 0.00 175.29 175.21 3ktk n GLY 130 N 1.50 0.10 3.76 2.59 0.00 -1.26 -4.62 105.19 107.26 3ktk n GLY 130 Ca -0.22 -1.89 -0.35 0.00 0.00 0.00 0.00 46.02 43.56 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 3.03 0.29 1.61 -0.21 -1.26 -4.77 119.66 118.35 3ktk s GLN 131 Ca 0.00 1.72 0.03 0.00 0.02 0.00 0.00 55.36 57.13 3ktk s GLN 131 Cb 0.00 -1.95 0.70 0.00 1.00 0.00 0.00 33.01 32.76 3ktk s GLN 131 CO 0.00 -1.13 1.72 0.00 -2.12 0.00 0.00 175.29 173.75 3ktk h ALA 132 N 0.85 1.44 -0.96 6.09 0.00 -1.99 0.23 119.26 124.92 3ktk h ALA 132 Ca -0.50 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3ktk h ALA 132 Cb 1.28 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 3ktk h ALA 132 CO 0.55 -0.27 0.61 1.15 0.00 0.00 0.00 179.25 181.29 3ktk h THR 133 N 0.48 1.25 -0.26 0.00 2.02 -1.99 -0.36 112.91 114.05 3ktk h THR 133 Ca 0.55 -0.50 -0.18 0.00 0.77 0.00 0.00 66.41 67.04 3ktk h THR 133 Cb 0.98 -0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3ktk h THR 133 CO -0.48 0.25 -0.57 -0.33 0.37 0.00 0.00 175.52 174.77 3ktk h GLU 134 N 1.31 0.81 -0.55 6.66 5.08 -0.99 -1.97 114.58 124.93 3ktk h GLU 134 Ca 0.35 -0.53 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 3ktk h GLU 134 Cb -0.11 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3ktk h GLU 134 CO -0.07 1.15 0.18 0.82 -1.00 0.00 0.00 179.01 180.09 3ktk h ILE 135 N 0.62 1.21 -0.37 3.13 2.04 -0.66 -1.79 117.51 121.69 3ktk h ILE 135 Ca 0.01 -0.72 -0.12 0.00 1.00 0.00 0.00 64.86 65.03 3ktk h ILE 135 Cb 1.16 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 3ktk h ILE 135 CO 0.12 0.27 -0.24 -0.08 0.00 0.00 0.00 178.15 178.22 3ktk h GLU 136 N 0.79 0.74 0.07 2.37 4.81 -0.89 0.83 114.58 123.31 3ktk h GLU 136 Ca 0.18 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3ktk h GLU 136 Cb 0.22 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 3ktk h GLU 136 CO -0.01 0.91 -0.04 0.82 -0.73 0.00 0.00 179.01 179.96 3ktk h ILE 137 N 0.65 0.91 -0.53 2.32 1.08 -0.64 -1.34 117.51 119.96 3ktk h ILE 137 Ca 0.09 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.54 3ktk h ILE 137 Cb 0.75 0.91 -0.02 0.00 -3.07 0.00 0.00 36.82 35.38 3ktk h ILE 137 CO 0.06 0.00 0.28 0.00 -0.69 0.00 0.00 178.15 177.80 3ktk h ALA 138 N 0.82 0.68 -0.12 1.87 0.00 -1.14 -2.41 119.26 118.96 3ktk h ALA 138 Ca -0.01 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3ktk h ALA 138 Cb 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3ktk h ALA 138 CO 0.01 0.22 -0.06 0.00 0.00 0.00 0.00 179.25 179.42 3ktk h ALA 139 N 1.11 0.05 -0.84 0.00 0.00 -0.63 -1.79 119.26 117.16 3ktk h ALA 139 Ca 0.19 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ktk h ALA 139 Cb 0.07 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3ktk h ALA 139 CO -0.03 -0.51 0.53 0.87 0.00 0.00 0.00 179.25 180.11 3ktk h LYS 140 N -0.05 1.13 0.65 0.00 1.57 -1.14 -1.06 116.57 117.67 3ktk h LYS 140 Ca 0.07 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3ktk h LYS 140 Cb 0.15 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 32.22 3ktk h LYS 140 CO -0.15 0.77 -0.31 -0.09 -0.57 0.00 0.00 179.45 179.10 3ktk h ARG 141 N 1.16 -0.84 -0.54 3.15 2.43 -0.99 0.01 114.38 118.77 3ktk h ARG 141 Ca 0.31 0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.50 3ktk h ARG 141 Cb -0.08 0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 3ktk h ARG 141 CO -0.06 -0.52 0.20 0.97 -1.51 0.00 0.00 179.97 179.05 3ktk h ILE 142 N -1.00 1.20 -0.26 1.20 2.10 -1.27 0.39 117.51 119.87 3ktk h ILE 142 Ca -0.09 -0.64 -0.11 0.00 1.08 0.00 0.00 64.86 65.10 3ktk h ILE 142 Cb 0.70 0.58 -0.01 0.00 -1.09 0.00 0.00 36.82 36.99 3ktk h ILE 142 CO 0.15 0.25 -0.28 -0.07 -1.08 0.00 0.00 178.15 177.11 3ktk h LEU 143 N 0.77 0.53 -0.49 2.19 3.38 -1.15 -0.49 115.31 120.05 3ktk h LEU 143 Ca 0.18 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 3ktk h LEU 143 Cb 0.17 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3ktk h LEU 143 CO -0.01 0.80 -0.17 -0.07 0.09 0.00 0.00 178.44 179.08 3ktk h LEU 144 N 0.46 0.99 -0.89 1.67 3.38 0.02 -2.80 115.31 118.14 3ktk h LEU 144 Ca 0.06 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 3ktk h LEU 144 Cb 0.73 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3ktk h LEU 144 CO 0.06 1.14 0.03 -0.07 0.09 0.00 0.00 178.44 179.69 3ktk h LEU 145 N 0.83 0.82 -0.94 1.67 3.38 -0.57 -1.50 115.31 118.99 3ktk h LEU 145 Ca 0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3ktk h LEU 145 Cb 0.74 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 3ktk h LEU 145 CO 0.06 0.86 0.52 -0.09 0.09 0.00 0.00 178.44 179.88 3ktk h ARG 146 N 0.80 1.27 -0.17 1.13 2.43 -0.96 -1.09 114.38 117.77 3ktk h ARG 146 Ca 0.16 -0.14 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 3ktk h ARG 146 Cb 0.43 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3ktk h ARG 146 CO 0.02 0.91 -0.09 -0.44 -1.51 0.00 0.00 179.97 178.85 3ktk h ASP 147 N 1.28 0.39 -0.55 -3.80 5.19 -1.20 -0.70 116.42 117.02 3ktk h ASP 147 Ca 0.33 -0.42 0.03 0.00 -0.62 0.00 0.00 57.03 56.34 3ktk h ASP 147 Cb -0.00 -0.11 -0.04 0.00 0.18 0.00 0.00 39.33 39.36 3ktk h ASP 147 CO -0.06 0.72 0.33 0.50 -3.12 0.00 0.00 179.24 177.62 3ktk h LYS 148 N 0.05 0.64 -0.06 3.56 3.64 -1.04 -0.24 116.57 123.12 3ktk h LYS 148 Ca 0.04 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3ktk h LYS 148 Cb 0.58 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3ktk h LYS 148 CO 0.03 0.42 -0.00 -0.07 -2.27 0.00 0.00 179.45 177.56 3ktk h LEU 149 N 0.66 0.11 -1.16 5.20 3.38 -1.19 -2.79 115.31 119.52 3ktk h LEU 149 Ca 0.22 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.92 3ktk h LEU 149 Cb 0.03 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3ktk h LEU 149 CO -0.10 0.41 0.58 0.78 0.09 0.00 0.00 178.44 180.20 3ktk h ASN 150 N -0.20 0.91 -0.41 -0.43 2.35 -0.91 -0.33 115.58 116.57 3ktk h ASN 150 Ca 0.02 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 3ktk h ASN 150 Cb 0.36 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3ktk h ASN 150 CO 0.00 0.60 0.13 0.11 -1.65 0.00 0.00 177.43 176.62 3ktk h LYS 151 N 1.04 0.64 -0.37 0.81 1.57 -0.99 -0.30 116.57 118.97 3ktk h LYS 151 Ca 0.37 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 3ktk h LYS 151 Cb 0.13 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3ktk h LYS 151 CO -0.13 0.63 0.12 0.28 -0.57 0.00 0.00 179.45 179.78 3ktk h VAL 152 N 0.52 1.21 -0.81 0.50 2.07 -1.12 -1.65 116.25 116.97 3ktk h VAL 152 Ca 0.13 -0.69 0.09 0.00 0.82 0.00 0.00 66.70 67.05 3ktk h VAL 152 Cb 0.26 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 30.92 3ktk h VAL 152 CO -0.00 0.24 0.46 -0.07 0.02 0.00 0.00 177.57 178.22 3ktk h LEU 153 N 0.46 0.67 -0.46 2.57 3.38 -0.84 0.58 115.31 121.67 3ktk h LEU 153 Ca 0.12 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3ktk h LEU 153 Cb 0.25 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3ktk h LEU 153 CO -0.00 0.39 0.27 0.00 0.09 0.00 0.00 178.44 179.19 3ktk h ALA 154 N 1.44 0.58 -0.26 1.53 0.00 -0.63 0.18 119.26 122.11 3ktk h ALA 154 Ca 0.39 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 3ktk h ALA 154 Cb 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3ktk h ALA 154 CO -0.24 0.08 0.09 0.93 0.00 0.00 0.00 179.25 180.11 3ktk h GLU 155 N 0.61 0.40 0.00 0.00 5.08 -0.36 0.12 114.58 120.43 3ktk h GLU 155 Ca 0.16 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3ktk h GLU 155 Cb 0.01 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3ktk h GLU 155 CO -0.03 0.46 -0.28 0.00 -1.00 0.00 0.00 179.01 178.16 3ktk h ARG 156 N 0.26 0.00 0.01 2.33 2.47 -0.72 -3.29 114.38 115.44 3ktk h ARG 156 Ca 0.09 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.43 3ktk h ARG 156 Cb 0.23 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.48 3ktk h ARG 156 CO -0.00 0.28 -2.36 0.25 0.56 0.00 0.00 179.97 178.70 3ktk n THR 157 N -3.88 1.48 0.00 2.04 -2.24 0.03 -4.82 114.28 106.88 3ktk n THR 157 Ca -0.02 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 3ktk n THR 157 Cb 0.36 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 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 1.99 0.20 3.77 3.38 0.00 0.42 -4.54 105.19 110.41 3ktk n GLY 158 Ca -0.38 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.87 4.19 0.62 1.61 -1.52 -1.20 -5.00 119.66 117.49 3ktk s GLN 159 Ca 0.00 1.70 -0.16 0.00 -1.95 0.00 0.00 55.36 54.95 3ktk s GLN 159 Cb 0.00 -2.71 -0.02 0.00 -0.22 0.00 0.00 33.01 30.07 3ktk s GLN 159 CO 0.00 -0.16 1.11 -1.25 -0.25 0.00 0.00 175.29 174.73 3ktk s PRO 160 N -2.24 2.99 0.24 2.91 0.04 -1.26 -4.49 135.00 133.19 3ktk s PRO 160 Ca 0.55 1.41 -0.05 0.00 0.04 0.00 0.00 61.00 62.95 3ktk s PRO 160 Cb -0.27 -1.97 0.41 0.00 0.04 0.00 0.00 34.50 32.70 3ktk s PRO 160 CO 0.35 -1.10 1.74 1.25 0.04 0.00 0.00 177.00 179.27 3ktk h LEU 161 N 0.34 0.30 -1.14 -3.56 5.85 -1.92 -0.56 115.31 114.63 3ktk h LEU 161 Ca -0.47 0.10 0.14 0.00 0.84 0.00 0.00 57.88 58.48 3ktk h LEU 161 Cb 1.25 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 42.26 3ktk h LEU 161 CO 0.55 0.14 0.60 -0.08 -0.34 0.00 0.00 178.44 179.31 3ktk h GLU 162 N 0.47 0.82 -0.25 1.25 4.57 -1.98 0.72 114.58 120.17 3ktk h GLU 162 Ca 0.39 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.44 3ktk h GLU 162 Cb 0.54 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 3ktk h GLU 162 CO -0.37 0.54 -0.15 0.28 -1.18 0.00 0.00 179.01 178.14 3ktk h VAL 163 N 0.84 1.31 -0.33 0.32 2.07 -1.47 -2.05 116.25 116.93 3ktk h VAL 163 Ca 0.48 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 3ktk h VAL 163 Cb 0.62 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 3ktk h VAL 163 CO -0.25 0.39 0.18 0.40 0.02 0.00 0.00 177.57 178.32 3ktk h ILE 164 N 0.26 1.13 -0.50 4.57 1.08 -0.77 0.57 117.51 123.86 3ktk h ILE 164 Ca 0.05 -0.35 0.06 0.00 -0.39 0.00 0.00 64.86 64.23 3ktk h ILE 164 Cb 0.67 0.77 -0.05 0.00 -3.07 0.00 0.00 36.82 35.13 3ktk h ILE 164 CO 0.04 0.14 0.19 -0.33 -0.69 0.00 0.00 178.15 177.50 3ktk h GLU 165 N 0.41 0.37 0.00 2.37 5.08 -0.83 -1.50 114.58 120.50 3ktk h GLU 165 Ca 0.12 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3ktk h GLU 165 Cb 0.06 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3ktk h GLU 165 CO -0.02 0.25 -0.00 -0.09 -1.00 0.00 0.00 179.01 178.14 3ktk h ARG 166 N 0.38 -0.01 0.00 2.33 2.43 -1.12 -3.11 114.38 115.29 3ktk h ARG 166 Ca 0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3ktk h ARG 166 Cb 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3ktk h ARG 166 CO -0.22 0.31 0.00 -0.44 -1.51 0.00 0.00 179.97 178.11 3ktk h ASP 167 N -0.32 0.00 -0.39 -3.80 5.19 -0.67 -2.66 116.42 113.77 3ktk h ASP 167 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3ktk h ASP 167 Cb 0.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.83 3ktk h ASP 167 CO 0.00 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 176.47 3ktk n THR 168 N -2.79 0.65 -0.17 0.35 -2.24 -0.58 -4.51 114.28 104.99 3ktk n THR 168 Ca 0.00 -0.82 0.04 0.00 -2.27 0.00 0.00 64.05 61.00 3ktk n THR 168 Cb 0.21 0.82 0.33 0.00 -2.10 0.00 0.00 70.33 69.59 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 3.55 0.70 -4.58 3.42 -0.00 -1.40 -1.61 116.42 116.50 3ktk h ASP 169 Ca 0.00 -0.01 -0.28 0.00 -0.00 0.00 0.00 57.03 56.74 3ktk h ASP 169 Cb 0.86 -0.16 -0.15 0.00 -0.00 0.00 0.00 39.33 39.88 3ktk h ASP 169 CO 0.00 0.48 -0.66 -0.13 -0.00 0.00 0.00 179.24 178.93 3ktk s ARG 170 N -5.70 1.10 -0.28 0.28 0.52 -1.26 -4.70 118.95 108.90 3ktk s ARG 170 Ca -0.10 -1.53 -0.39 0.00 -0.52 0.00 0.00 55.73 53.19 3ktk s ARG 170 Cb 0.19 -0.23 -0.14 0.00 0.52 0.00 0.00 34.95 35.28 3ktk s ARG 170 CO 0.77 -0.14 1.87 -0.25 0.02 0.00 0.00 175.30 177.56 3ktk n ASP 171 N -0.23 2.41 -4.07 0.23 9.92 -1.26 -4.69 116.55 118.85 3ktk n ASP 171 Ca -0.06 0.92 -0.35 0.00 -0.53 0.00 0.00 54.79 54.77 3ktk n ASP 171 Cb 0.63 -1.18 -0.12 0.00 -0.64 0.00 0.00 41.12 39.81 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 4.47 5.03 0.04 -2.24 3.04 -0.88 -5.02 114.94 119.39 3ktk s ASN 172 Ca 1.01 -2.51 -0.27 0.00 0.04 0.00 0.00 52.86 51.12 3ktk s ASN 172 Cb -1.00 -1.78 -0.05 0.00 -1.54 0.00 0.00 41.25 36.88 3ktk s ASN 172 CO 0.61 -0.41 0.86 -0.36 -3.04 0.00 0.00 177.10 174.76 3ktk s PHE 173 N 0.43 3.72 0.02 0.43 0.08 -1.26 -2.32 117.98 119.08 3ktk s PHE 173 Ca 0.13 1.59 0.04 0.00 0.12 0.00 0.00 56.93 58.81 3ktk s PHE 173 Cb -0.22 -2.95 -0.02 0.00 -0.57 0.00 0.00 43.02 39.27 3ktk s PHE 173 CO -0.04 0.17 -0.13 0.15 -0.10 0.00 0.00 175.22 175.27 3ktk s LYS 174 N 0.30 0.97 0.81 0.44 1.02 0.20 -4.98 119.74 118.50 3ktk s LYS 174 Ca 0.44 -0.62 -0.12 0.00 0.02 0.00 0.00 55.97 55.69 3ktk s LYS 174 Cb -0.21 -0.96 0.08 0.00 -0.52 0.00 0.00 37.83 36.22 3ktk s LYS 174 CO 0.25 0.25 1.17 -1.54 -0.92 0.00 0.00 175.35 174.57 3ktk s SER 175 N -0.76 4.50 0.25 2.83 1.04 -1.26 -0.89 113.70 119.41 3ktk s SER 175 Ca 0.03 0.81 -0.06 0.00 0.48 0.00 0.00 55.95 57.21 3ktk s SER 175 Cb -0.07 -1.32 0.26 0.00 0.10 0.00 0.00 66.02 65.00 3ktk s SER 175 CO 0.00 -1.91 1.90 0.00 0.98 0.00 0.00 173.24 174.22 3ktk h ALA 176 N -1.06 1.25 -0.50 5.32 0.00 -1.76 0.26 119.26 122.77 3ktk h ALA 176 Ca -0.46 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 3ktk h ALA 176 Cb 1.33 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3ktk h ALA 176 CO 0.66 0.65 0.29 0.93 0.00 0.00 0.00 179.25 181.78 3ktk h GLU 177 N 1.29 0.68 -0.12 0.00 3.07 -1.92 -0.69 114.58 116.90 3ktk h GLU 177 Ca 0.34 -0.07 -0.11 0.00 -0.50 0.00 0.00 59.36 59.02 3ktk h GLU 177 Cb -0.08 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.68 3ktk h GLU 177 CO -0.07 0.51 -0.41 0.93 -1.40 0.00 0.00 179.01 178.57 3ktk h GLU 178 N 0.66 0.27 -0.50 2.33 5.08 -1.68 -1.80 114.58 118.95 3ktk h GLU 178 Ca 0.18 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 3ktk h GLU 178 Cb 0.01 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3ktk h GLU 178 CO -0.03 0.64 -0.14 0.00 -1.00 0.00 0.00 179.01 178.48 3ktk h ALA 179 N 1.35 0.82 -0.16 3.43 0.00 -0.12 -1.52 119.26 123.05 3ktk h ALA 179 Ca 0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3ktk h ALA 179 Cb 0.83 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3ktk h ALA 179 CO 0.07 0.66 0.06 1.25 0.00 0.00 0.00 179.25 181.28 3ktk h LEU 180 N 0.84 0.23 -1.73 0.00 5.85 -0.82 -1.43 115.31 118.25 3ktk h LEU 180 Ca 0.13 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 3ktk h LEU 180 Cb 0.68 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 3ktk h LEU 180 CO 0.05 0.35 -0.16 -0.33 -0.34 0.00 0.00 178.44 178.01 3ktk h GLU 181 N 0.10 0.00 0.00 1.25 4.39 -1.21 -2.51 114.58 116.61 3ktk h GLU 181 Ca 0.05 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.67 3ktk h GLU 181 Cb 0.19 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 3ktk h GLU 181 CO -0.00 0.16 -0.42 -0.92 -1.16 0.00 0.00 179.01 176.67 3ktk h TYR 182 N 0.00 0.00 0.00 4.33 3.20 -0.95 -3.48 116.97 120.07 3ktk h TYR 182 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3ktk h TYR 182 Cb 0.30 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.57 3ktk h TYR 182 CO 0.00 0.42 0.00 0.41 -1.64 0.00 0.00 178.16 177.35 3ktk n GLY 183 N 1.18 1.01 0.10 1.82 0.00 -0.81 -4.69 105.19 103.79 3ktk n GLY 183 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 0.36 -9.11 0.99 3.38 -1.52 -3.36 115.31 106.04 3ktk h LEU 184 Ca 0.00 -0.39 -0.45 0.00 0.09 0.00 0.00 57.88 57.14 3ktk h LEU 184 Cb 0.00 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 40.49 3ktk h LEU 184 CO 0.00 1.30 -0.64 0.27 0.09 0.00 0.00 178.44 179.47 3ktk s ILE 185 N -2.66 1.24 -0.06 1.22 -4.36 -1.22 -4.09 121.20 111.27 3ktk s ILE 185 Ca -0.03 -2.04 0.10 0.00 -0.26 0.00 0.00 60.65 58.42 3ktk s ILE 185 Cb 0.07 -2.59 -0.15 0.00 1.25 0.00 0.00 42.46 41.05 3ktk s ILE 185 CO 0.87 -0.16 0.13 0.47 0.24 0.00 0.00 174.94 176.50 3ktk n ASP 186 N -0.59 2.51 -3.65 4.36 8.00 0.15 -4.55 116.55 122.79 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 1.11 -0.08 0.00 -0.02 0.00 0.00 41.12 42.79 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 -2.49 0.81 -0.25 -1.24 2.20 -1.01 -5.00 119.74 112.75 3ktk s LYS 187 Ca -0.04 0.18 -0.09 0.00 -0.36 0.00 0.00 55.97 55.66 3ktk s LYS 187 Cb 0.05 0.38 -0.04 0.00 -1.51 0.00 0.00 37.83 36.71 3ktk s LYS 187 CO 0.43 -0.22 0.11 0.42 -0.36 0.00 0.00 175.35 175.73 3ktk s ILE 188 N -0.94 4.74 0.11 5.43 1.01 -1.26 -2.66 121.20 127.63 3ktk s ILE 188 Ca -0.10 -0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.22 3ktk s ILE 188 Cb -0.03 -3.22 -0.07 0.00 0.01 0.00 0.00 42.46 39.16 3ktk s ILE 188 CO 0.06 0.33 1.22 -0.76 0.00 0.00 0.00 174.94 175.79 3ktk s LEU 189 N 1.43 4.40 0.00 2.97 1.43 -0.55 -4.94 118.68 123.42 3ktk s LEU 189 Ca 0.06 2.12 0.00 0.00 -1.03 0.00 0.00 54.13 55.28 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 0.05 -0.45 0.00 0.35 0.23 0.00 0.00 176.35 176.53 3ktk n THR 190 N 3.42 0.00 -0.31 5.49 -2.24 -1.26 -3.75 114.28 115.62 3ktk n THR 190 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3ktk n THR 190 Cb 0.45 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 3ktk n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50