#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ktl s GLU 3 N 0.00 2.03 0.52 0.00 2.12 -1.26 -5.11 118.70 117.00 3ktl s GLU 3 Ca 0.00 -1.21 -0.21 0.00 0.36 0.00 0.00 54.97 53.92 3ktl s GLU 3 Cb 0.00 -2.18 -0.06 0.00 0.26 0.00 0.00 34.13 32.15 3ktl s GLU 3 CO 0.00 0.46 1.16 0.15 -0.54 0.00 0.00 175.26 176.48 3ktl s LYS 4 N -2.59 3.44 0.59 4.30 1.02 -1.26 -4.82 119.74 120.41 3ktl s LYS 4 Ca 0.23 1.70 -0.20 0.00 0.02 0.00 0.00 55.97 57.73 3ktl s LYS 4 Cb -0.10 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 3ktl s LYS 4 CO 0.14 -0.80 1.20 -2.30 -0.92 0.00 0.00 175.35 172.67 3ktl n PRO 5 N -1.07 1.26 -4.16 -1.68 -0.02 -1.26 -4.77 135.00 123.31 3ktl n PRO 5 Ca 0.10 0.48 -0.30 0.00 -2.02 0.00 0.00 63.50 61.76 3ktl n PRO 5 Cb 0.50 -2.41 -0.16 0.00 -0.02 0.00 0.00 33.50 31.40 3ktl n PRO 5 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3ktl s LYS 6 N -2.95 2.33 -0.22 -0.52 2.20 -0.29 -0.81 119.74 119.48 3ktl s LYS 6 Ca 0.76 -0.58 -0.12 0.00 -0.36 0.00 0.00 55.97 55.67 3ktl s LYS 6 Cb -0.41 -2.08 -0.05 0.00 -1.51 0.00 0.00 37.83 33.78 3ktl s LYS 6 CO 0.46 -0.18 0.24 -0.51 -0.36 0.00 0.00 175.35 175.00 3ktl s LEU 7 N 1.32 4.14 -0.35 5.43 1.43 0.13 -1.27 118.68 129.51 3ktl s LEU 7 Ca 0.01 0.26 -0.08 0.00 -1.03 0.00 0.00 54.13 53.29 3ktl s LEU 7 Cb -0.13 -2.24 0.03 0.00 0.03 0.00 0.00 46.19 43.88 3ktl s LEU 7 CO -0.08 0.03 0.14 -1.00 0.23 0.00 0.00 176.35 175.66 3ktl s HIS 8 N 1.07 3.24 0.21 0.29 3.76 0.53 -0.47 115.29 123.93 3ktl s HIS 8 Ca 0.11 -1.24 -0.23 0.00 -0.15 0.00 0.00 55.06 53.56 3ktl s HIS 8 Cb -0.14 -2.33 0.05 0.00 1.11 0.00 0.00 32.58 31.28 3ktl s HIS 8 CO 0.05 -0.69 0.88 -0.47 -0.85 0.00 0.00 174.74 173.66 3ktl s TYR 9 N 1.46 -0.11 0.80 1.40 5.04 -1.19 -2.15 117.35 122.61 3ktl s TYR 9 Ca -0.00 -0.28 -0.12 0.00 -2.44 0.00 0.00 57.07 54.23 3ktl s TYR 9 Cb -0.19 0.68 0.07 0.00 0.35 0.00 0.00 41.96 42.87 3ktl s TYR 9 CO 0.04 -1.02 1.14 -0.59 -1.34 0.00 0.00 175.55 173.78 3ktl s PHE 10 N -3.32 2.93 -1.18 4.97 -0.00 -1.26 -1.09 117.98 119.03 3ktl s PHE 10 Ca 0.13 0.90 -0.17 0.00 -0.00 0.00 0.00 56.93 57.79 3ktl s PHE 10 Cb -0.03 -3.32 0.12 0.00 -0.00 0.00 0.00 43.02 39.79 3ktl s PHE 10 CO 0.05 -1.76 1.49 1.21 -0.00 0.00 0.00 175.22 176.21 3ktl s ASN 11 N -4.32 6.88 0.05 1.98 3.84 -1.26 -4.83 114.94 117.28 3ktl s ASN 11 Ca 0.61 -2.54 -0.28 0.00 0.21 0.00 0.00 52.86 50.86 3ktl s ASN 11 Cb -0.12 -2.47 0.09 0.00 -0.55 0.00 0.00 41.25 38.20 3ktl s ASN 11 CO 0.51 -1.00 1.08 0.00 -2.79 0.00 0.00 177.10 174.90 3ktl s ALA 12 N 2.90 -1.90 0.00 1.71 0.00 -1.26 -5.05 121.76 118.16 3ktl s ALA 12 Ca 0.45 0.56 -0.03 0.00 0.00 0.00 0.00 51.96 52.94 3ktl s ALA 12 Cb -0.01 0.45 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 3ktl s ALA 12 CO 0.00 -0.96 0.81 0.00 0.00 0.00 0.00 175.76 175.61 3ktl h ARG 13 N 2.00 -0.10 0.00 0.00 3.08 -1.88 -3.44 114.38 114.03 3ktl h ARG 13 Ca -0.24 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.81 3ktl h ARG 13 Cb 1.22 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3ktl h ARG 13 CO 0.27 -0.07 0.00 0.41 -1.07 0.00 0.00 179.97 179.51 3ktl n GLY 14 N -0.34 2.70 1.10 0.04 0.00 -1.26 -1.99 105.19 105.44 3ktl n GLY 14 Ca -0.01 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.08 3ktl n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ktl n ARG 15 N 14.00 2.44 -0.02 1.61 1.74 -1.26 -4.00 116.66 131.18 3ktl n ARG 15 Ca 0.00 -2.18 0.09 0.00 -0.77 0.00 0.00 57.85 54.99 3ktl n ARG 15 Cb 0.00 -1.50 -0.17 0.00 -1.02 0.00 0.00 32.46 29.77 3ktl n ARG 15 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 3ktl n MET 16 N 1.38 0.66 0.15 5.56 1.56 -0.84 -4.58 117.12 121.01 3ktl n MET 16 Ca 0.19 -0.17 0.03 0.00 -0.27 0.00 0.00 57.70 57.48 3ktl n MET 16 Cb 0.58 -1.52 0.40 0.00 2.15 0.00 0.00 33.22 34.83 3ktl n MET 16 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 3ktl h GLU 17 N 0.00 0.15 0.00 2.12 4.57 -1.56 -0.57 114.58 119.29 3ktl h GLU 17 Ca -0.06 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 57.99 3ktl h GLU 17 Cb 1.13 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.69 3ktl h GLU 17 CO 0.00 0.35 -0.46 0.66 -1.18 0.00 0.00 179.01 178.38 3ktl h SER 18 N 0.14 0.00 -0.00 1.04 4.64 -1.86 -0.68 113.55 116.83 3ktl h SER 18 Ca 0.03 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.09 3ktl h SER 18 Cb 0.43 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.54 3ktl h SER 18 CO 0.03 0.46 -0.98 0.74 -0.87 0.00 0.00 176.83 176.21 3ktl h THR 19 N 0.00 1.30 -0.36 2.95 2.02 -1.44 -1.35 112.91 116.03 3ktl h THR 19 Ca -0.00 -2.21 0.08 0.00 0.77 0.00 0.00 66.41 65.04 3ktl h THR 19 Cb 0.86 2.40 -0.08 0.00 -1.74 0.00 0.00 68.15 69.58 3ktl h THR 19 CO 0.06 0.68 -0.24 0.03 0.37 0.00 0.00 175.52 176.42 3ktl h ARG 20 N 0.33 -0.18 -0.28 6.66 3.08 -0.97 -1.16 114.38 121.86 3ktl h ARG 20 Ca -0.12 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.00 3ktl h ARG 20 Cb 1.64 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 31.66 3ktl h ARG 20 CO 0.19 -0.12 -0.14 -1.49 -1.07 0.00 0.00 179.97 177.34 3ktl h TRP 21 N -0.19 -0.35 -0.21 3.04 4.06 -1.06 -1.76 115.95 119.48 3ktl h TRP 21 Ca 0.18 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 61.14 3ktl h TRP 21 Cb 0.46 0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.81 3ktl h TRP 21 CO -0.45 -0.21 0.06 1.25 -3.56 0.00 0.00 178.44 175.53 3ktl h LEU 22 N -0.11 0.31 -0.71 -4.49 5.85 -0.73 -0.48 115.31 114.95 3ktl h LEU 22 Ca 0.15 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 3ktl h LEU 22 Cb 0.33 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3ktl h LEU 22 CO -0.35 0.43 0.29 -0.07 -0.34 0.00 0.00 178.44 178.41 3ktl h LEU 23 N 0.17 0.98 -0.61 2.25 3.38 -1.16 -1.46 115.31 118.86 3ktl h LEU 23 Ca 0.07 -0.17 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 3ktl h LEU 23 Cb 0.24 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3ktl h LEU 23 CO -0.00 0.88 -0.55 0.00 0.09 0.00 0.00 178.44 178.86 3ktl h ALA 24 N 1.14 0.79 -0.45 1.53 0.00 -1.22 0.78 119.26 121.83 3ktl h ALA 24 Ca 0.24 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3ktl h ALA 24 Cb 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3ktl h ALA 24 CO -0.02 0.69 0.15 0.00 0.00 0.00 0.00 179.25 180.07 3ktl h ALA 25 N 1.09 1.43 0.00 0.00 0.00 -0.85 -1.89 119.26 119.04 3ktl h ALA 25 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3ktl h ALA 25 Cb 1.06 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3ktl h ALA 25 CO 0.10 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.77 3ktl n ALA 26 N -2.47 2.36 -2.46 0.00 0.00 -0.57 -4.78 120.51 112.59 3ktl n ALA 26 Ca 0.03 -0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.22 3ktl n ALA 26 Cb 0.17 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.21 3ktl n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ktl n GLY 27 N 0.81 0.02 3.51 0.00 0.00 -0.71 -5.02 105.19 103.79 3ktl n GLY 27 Ca 0.15 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 3ktl n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ktl s VAL 28 N -2.72 4.81 0.09 1.61 1.01 0.24 -5.02 120.40 120.42 3ktl s VAL 28 Ca 0.09 -0.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.73 3ktl s VAL 28 Cb -0.04 -3.29 -0.07 0.00 0.00 0.00 0.00 36.38 32.98 3ktl s VAL 28 CO 0.11 0.27 1.37 -0.70 0.00 0.00 0.00 175.10 176.15 3ktl s GLU 29 N 1.68 4.33 0.22 2.72 2.12 -1.26 -4.26 118.70 124.25 3ktl s GLU 29 Ca 0.07 2.02 0.07 0.00 0.36 0.00 0.00 54.97 57.48 3ktl s GLU 29 Cb -0.16 -3.32 -0.05 0.00 0.26 0.00 0.00 34.13 30.86 3ktl s GLU 29 CO 0.07 -0.44 -0.12 -0.59 -0.54 0.00 0.00 175.26 173.64 3ktl s PHE 30 N 1.34 1.73 0.08 5.30 -0.12 -1.26 -4.22 117.98 120.83 3ktl s PHE 30 Ca 0.64 -0.62 0.04 0.00 -0.05 0.00 0.00 56.93 56.94 3ktl s PHE 30 Cb -0.35 -0.85 -0.04 0.00 -0.63 0.00 0.00 43.02 41.15 3ktl s PHE 30 CO 0.29 0.32 0.05 -1.21 -0.05 0.00 0.00 175.22 174.62 3ktl s GLU 31 N -3.67 2.76 -0.02 1.99 2.02 0.01 -5.00 118.70 116.79 3ktl s GLU 31 Ca 0.24 -0.74 0.07 0.00 0.02 0.00 0.00 54.97 54.56 3ktl s GLU 31 Cb 0.00 -2.66 -0.02 0.00 0.10 0.00 0.00 34.13 31.55 3ktl s GLU 31 CO 0.08 0.56 -0.22 -1.21 0.02 0.00 0.00 175.26 174.49 3ktl s GLU 32 N -2.32 2.19 -0.27 1.61 2.02 -1.26 0.17 118.70 120.84 3ktl s GLU 32 Ca 0.28 -0.88 0.03 0.00 0.02 0.00 0.00 54.97 54.41 3ktl s GLU 32 Cb -0.12 -2.14 0.07 0.00 0.10 0.00 0.00 34.13 32.03 3ktl s GLU 32 CO 0.20 0.57 -0.08 0.21 0.02 0.00 0.00 175.26 176.19 3ktl s LYS 33 N -0.77 2.02 -0.24 1.61 2.20 0.38 -4.89 119.74 120.06 3ktl s LYS 33 Ca 0.11 -1.36 -0.18 0.00 -0.36 0.00 0.00 55.97 54.18 3ktl s LYS 33 Cb -0.10 -2.87 -0.03 0.00 -1.51 0.00 0.00 37.83 33.32 3ktl s LYS 33 CO 0.00 -0.63 0.52 -0.06 -0.36 0.00 0.00 175.35 174.82 3ktl s PHE 34 N 1.13 3.30 -0.01 4.03 0.08 -1.26 -3.14 117.98 122.11 3ktl s PHE 34 Ca -0.06 0.68 -0.30 0.00 0.12 0.00 0.00 56.93 57.37 3ktl s PHE 34 Cb -0.20 -2.71 -0.05 0.00 -0.57 0.00 0.00 43.02 39.50 3ktl s PHE 34 CO -0.06 -0.23 1.26 0.42 -0.10 0.00 0.00 175.22 176.51 3ktl s ILE 35 N 2.10 4.03 -0.36 0.64 1.01 -0.25 -4.94 121.20 123.44 3ktl s ILE 35 Ca 0.22 1.41 0.08 0.00 0.00 0.00 0.00 60.65 62.36 3ktl s ILE 35 Cb -0.16 -3.90 -0.09 0.00 0.01 0.00 0.00 42.46 38.32 3ktl s ILE 35 CO 0.09 0.03 0.33 0.29 0.00 0.00 0.00 174.94 175.68 3ktl n LYS 36 N 4.90 4.22 -3.68 2.79 4.76 -1.26 -4.28 118.16 125.61 3ktl n LYS 36 Ca 0.11 -0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.45 3ktl n LYS 36 Cb 0.45 -0.89 -0.04 0.00 -1.84 0.00 0.00 35.03 32.72 3ktl n LYS 36 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3ktl s SER 37 N -1.80 -0.26 0.44 4.39 1.04 -1.26 -4.92 113.70 111.33 3ktl s SER 37 Ca 0.03 -0.39 0.13 0.00 0.48 0.00 0.00 55.95 56.20 3ktl s SER 37 Cb 0.06 0.53 0.98 0.00 0.10 0.00 0.00 66.02 67.68 3ktl s SER 37 CO 0.33 -0.95 1.99 0.00 0.98 0.00 0.00 173.24 175.59 3ktl h ALA 38 N 2.27 1.69 -0.86 5.32 0.00 -1.77 -1.63 119.26 124.28 3ktl h ALA 38 Ca -0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3ktl h ALA 38 Cb 1.26 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 3ktl h ALA 38 CO 0.42 0.23 0.48 0.93 0.00 0.00 0.00 179.25 181.32 3ktl h GLU 39 N 0.06 1.19 -0.66 0.00 3.07 -1.94 0.14 114.58 116.42 3ktl h GLU 39 Ca 0.01 -0.13 -0.07 0.00 -0.50 0.00 0.00 59.36 58.67 3ktl h GLU 39 Cb 0.30 -0.24 -0.03 0.00 -0.84 0.00 0.00 28.75 27.94 3ktl h GLU 39 CO 0.02 0.86 0.13 -0.44 -1.40 0.00 0.00 179.01 178.18 3ktl h ASP 40 N 1.20 1.03 -0.34 1.42 3.32 -1.70 -2.48 116.42 118.87 3ktl h ASP 40 Ca 0.30 -0.25 -0.15 0.00 0.02 0.00 0.00 57.03 56.95 3ktl h ASP 40 Cb 0.01 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 3ktl h ASP 40 CO -0.05 1.02 -0.37 0.25 -1.72 0.00 0.00 179.24 178.37 3ktl h LEU 41 N 1.01 0.94 -1.72 1.55 5.85 -1.03 -2.80 115.31 119.11 3ktl h LEU 41 Ca 0.20 -0.42 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 3ktl h LEU 41 Cb 0.41 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3ktl h LEU 41 CO 0.01 1.20 -0.17 0.44 -0.34 0.00 0.00 178.44 179.58 3ktl h ASP 42 N 0.73 0.00 -0.26 1.25 3.32 -0.57 -1.98 116.42 118.91 3ktl h ASP 42 Ca 0.06 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.97 3ktl h ASP 42 Cb 0.95 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.50 3ktl h ASP 42 CO 0.09 0.17 -0.41 0.50 -1.72 0.00 0.00 179.24 177.87 3ktl h LYS 43 N 0.00 0.73 -0.48 3.56 3.64 -1.19 0.22 116.57 123.05 3ktl h LYS 43 Ca -0.00 -0.44 0.08 0.00 -1.27 0.00 0.00 60.65 59.02 3ktl h LYS 43 Cb 0.33 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.13 3ktl h LYS 43 CO 0.02 1.07 0.09 -0.07 -2.27 0.00 0.00 179.45 178.29 3ktl h LEU 44 N 0.46 -0.01 0.33 5.20 3.38 -1.33 -0.59 115.31 122.76 3ktl h LEU 44 Ca 0.02 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3ktl h LEU 44 Cb 1.01 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3ktl h LEU 44 CO 0.09 0.02 -0.16 0.03 0.09 0.00 0.00 178.44 178.52 3ktl h ARG 45 N 0.22 -0.43 0.00 1.13 3.08 -0.96 -1.67 114.38 115.74 3ktl h ARG 45 Ca 0.24 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.29 3ktl h ARG 45 Cb 0.32 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 3ktl h ARG 45 CO -0.32 -0.21 -0.13 -0.91 -1.07 0.00 0.00 179.97 177.33 3ktl h ASN 46 N -0.57 0.00 0.66 7.04 2.35 -0.50 -0.88 115.58 123.69 3ktl h ASN 46 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3ktl h ASN 46 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 3ktl h ASN 46 CO 0.08 0.13 0.00 0.47 -1.65 0.00 0.00 177.43 176.46 3ktl n ASP 47 N -4.25 0.03 0.00 5.81 9.92 -0.23 -4.92 116.55 122.91 3ktl n ASP 47 Ca -0.03 0.51 0.00 0.00 -0.53 0.00 0.00 54.79 54.74 3ktl n ASP 47 Cb 0.20 -0.51 0.00 0.00 -0.64 0.00 0.00 41.12 40.17 3ktl n ASP 47 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ktl n GLY 48 N 0.44 0.53 0.16 0.44 0.00 -0.33 -4.94 105.19 101.49 3ktl n GLY 48 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 3ktl n GLY 48 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ktl h TYR 49 N 0.00 0.00 -3.79 1.61 -1.99 -1.50 -3.44 116.97 107.86 3ktl h TYR 49 Ca 0.00 0.00 -0.65 0.00 2.00 0.00 0.00 58.73 60.08 3ktl h TYR 49 Cb 0.00 0.00 -0.37 0.00 2.00 0.00 0.00 36.73 38.36 3ktl h TYR 49 CO 0.00 0.00 -0.79 -0.51 -0.00 0.00 0.00 178.16 176.86 3ktl s LEU 50 N -5.08 3.26 0.31 3.88 1.43 -1.25 -4.90 118.68 116.32 3ktl s LEU 50 Ca 0.07 -1.38 0.03 0.00 -1.03 0.00 0.00 54.13 51.82 3ktl s LEU 50 Cb 0.10 -1.44 0.61 0.00 0.03 0.00 0.00 46.19 45.48 3ktl s LEU 50 CO 0.54 -0.21 1.87 -0.03 0.23 0.00 0.00 176.35 178.75 3ktl h MET 51 N 7.82 0.91 -0.06 1.70 1.85 -1.87 -1.92 114.93 123.35 3ktl h MET 51 Ca -0.18 -0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 58.84 3ktl h MET 51 Cb 1.05 -0.20 -0.01 0.00 0.43 0.00 0.00 31.60 32.86 3ktl h MET 51 CO 0.45 0.60 -0.12 1.19 -0.40 0.00 0.00 176.91 178.63 3ktl n PHE 52 N -4.57 0.22 -1.79 1.39 3.72 -1.26 -4.96 117.46 110.21 3ktl n PHE 52 Ca 0.17 -1.15 -0.18 0.00 -0.05 0.00 0.00 57.45 56.24 3ktl n PHE 52 Cb 0.34 -0.22 -0.06 0.00 -0.94 0.00 0.00 39.48 38.60 3ktl n PHE 52 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3ktl n GLN 53 N -1.21 -1.33 -4.32 -1.08 1.13 -0.72 -4.97 117.38 104.87 3ktl n GLN 53 Ca 0.19 1.06 -0.19 0.00 -1.94 0.00 0.00 57.00 56.12 3ktl n GLN 53 Cb 0.72 -5.41 -0.10 0.00 0.11 0.00 0.00 30.24 25.55 3ktl n GLN 53 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3ktl s GLN 54 N -3.97 1.26 0.34 -1.09 -0.21 -1.26 -4.98 119.66 109.75 3ktl s GLN 54 Ca 0.00 -1.49 0.08 0.00 0.02 0.00 0.00 55.36 53.98 3ktl s GLN 54 Cb 0.00 -1.14 -0.04 0.00 1.00 0.00 0.00 33.01 32.83 3ktl s GLN 54 CO 0.00 0.20 0.12 0.14 -2.12 0.00 0.00 175.29 173.63 3ktl s VAL 55 N -2.61 2.93 0.23 1.09 -7.23 -1.26 -4.65 120.40 108.90 3ktl s VAL 55 Ca 0.19 -1.75 -0.28 0.00 -1.81 0.00 0.00 61.98 58.32 3ktl s VAL 55 Cb -0.03 -2.94 -0.16 0.00 0.56 0.00 0.00 36.38 33.81 3ktl s VAL 55 CO 0.06 -0.18 0.73 -2.65 -0.31 0.00 0.00 175.10 172.74 3ktl n PRO 56 N -1.11 0.51 -4.25 4.82 -0.02 -1.26 -4.97 135.00 128.72 3ktl n PRO 56 Ca -0.03 0.18 -0.18 0.00 -2.02 0.00 0.00 63.50 61.44 3ktl n PRO 56 Cb 0.61 -1.34 -0.15 0.00 -0.02 0.00 0.00 33.50 32.61 3ktl n PRO 56 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3ktl s MET 57 N -1.15 0.70 -0.17 -0.52 1.75 -0.91 -3.82 119.30 115.18 3ktl s MET 57 Ca 0.63 -0.22 0.01 0.00 -1.25 0.00 0.00 55.69 54.86 3ktl s MET 57 Cb -0.86 -0.68 0.02 0.00 2.84 0.00 0.00 34.83 36.16 3ktl s MET 57 CO 0.57 0.08 -0.16 0.08 -0.65 0.00 0.00 175.02 174.94 3ktl s VAL 58 N 0.20 1.80 -0.31 10.11 1.01 0.21 -0.35 120.40 133.08 3ktl s VAL 58 Ca -0.02 -0.83 -0.23 0.00 0.00 0.00 0.00 61.98 60.89 3ktl s VAL 58 Cb -0.07 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.63 3ktl s VAL 58 CO -0.00 0.45 0.78 -1.61 0.00 0.00 0.00 175.10 174.72 3ktl s GLU 59 N 1.38 3.94 -0.14 2.72 2.02 -0.40 -1.18 118.70 127.05 3ktl s GLU 59 Ca 0.04 0.56 -0.10 0.00 0.02 0.00 0.00 54.97 55.49 3ktl s GLU 59 Cb -0.13 -3.73 0.04 0.00 0.10 0.00 0.00 34.13 30.40 3ktl s GLU 59 CO -0.11 -0.69 0.35 -1.50 0.02 0.00 0.00 175.26 173.33 3ktl s ILE 60 N 2.96 -0.01 -1.64 -1.63 2.07 -0.20 -1.14 121.20 121.61 3ktl s ILE 60 Ca 0.32 0.05 -0.15 0.00 -1.41 0.00 0.00 60.65 59.46 3ktl s ILE 60 Cb -0.14 -0.51 0.12 0.00 0.13 0.00 0.00 42.46 42.07 3ktl s ILE 60 CO 0.13 0.02 0.74 0.47 -1.91 0.00 0.00 174.94 174.39 3ktl n ASP 61 N 3.50 -2.93 0.00 4.50 8.00 -1.26 -0.21 116.55 128.15 3ktl n ASP 61 Ca -0.18 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.33 3ktl n ASP 61 Cb 0.56 -2.91 0.00 0.00 -0.02 0.00 0.00 41.12 38.75 3ktl n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ktl n GLY 62 N -1.54 0.45 3.62 0.44 0.00 -1.26 -5.02 105.19 101.88 3ktl n GLY 62 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3ktl n GLY 62 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ktl s MET 63 N -0.49 2.27 -0.76 1.61 -1.94 0.71 -5.07 119.30 115.63 3ktl s MET 63 Ca 0.00 -1.00 -0.04 0.00 -1.71 0.00 0.00 55.69 52.94 3ktl s MET 63 Cb 0.00 -2.36 0.19 0.00 2.01 0.00 0.00 34.83 34.67 3ktl s MET 63 CO 0.00 0.50 0.61 0.15 -0.01 0.00 0.00 175.02 176.27 3ktl s LYS 64 N -2.39 2.96 -0.57 2.03 1.02 -1.26 -1.03 119.74 120.50 3ktl s LYS 64 Ca 0.24 -2.83 -0.23 0.00 0.02 0.00 0.00 55.97 53.16 3ktl s LYS 64 Cb -0.11 -3.89 0.05 0.00 -0.52 0.00 0.00 37.83 33.36 3ktl s LYS 64 CO 0.16 -1.22 0.90 -0.51 -0.92 0.00 0.00 175.35 173.76 3ktl s LEU 65 N -0.57 4.29 0.72 3.17 1.43 -0.33 -4.82 118.68 122.57 3ktl s LEU 65 Ca 0.21 -0.57 -0.08 0.00 -1.03 0.00 0.00 54.13 52.67 3ktl s LEU 65 Cb -0.14 -2.68 0.06 0.00 0.03 0.00 0.00 46.19 43.46 3ktl s LEU 65 CO -0.07 -1.23 1.04 0.68 0.23 0.00 0.00 176.35 177.00 3ktl s VAL 66 N 3.79 2.31 0.01 -1.59 -7.23 -1.26 -0.61 120.40 115.81 3ktl s VAL 66 Ca 0.26 -0.19 -0.00 0.00 -1.81 0.00 0.00 61.98 60.24 3ktl s VAL 66 Cb -0.14 -3.03 0.00 0.00 0.56 0.00 0.00 36.38 33.77 3ktl s VAL 66 CO 0.16 -0.03 0.00 0.00 -0.31 0.00 0.00 175.10 174.92 3ktl n GLN 67 N -2.98 -1.73 -0.39 4.82 1.13 -1.25 -4.57 117.38 112.40 3ktl n GLN 67 Ca 0.08 1.59 -0.03 0.00 -1.94 0.00 0.00 57.00 56.70 3ktl n GLN 67 Cb 0.60 -1.92 0.02 0.00 0.11 0.00 0.00 30.24 29.05 3ktl n GLN 67 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3ktl n THR 68 N 0.61 -0.55 0.24 5.09 -1.04 -1.26 -0.93 114.28 116.44 3ktl n THR 68 Ca -0.00 2.34 0.10 0.00 -2.04 0.00 0.00 64.05 64.44 3ktl n THR 68 Cb 0.00 -3.05 0.61 0.00 -1.82 0.00 0.00 70.33 66.07 3ktl n THR 68 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3ktl h ARG 69 N 0.00 0.00 -0.22 -2.82 3.08 -1.97 -2.24 114.38 110.21 3ktl h ARG 69 Ca 0.31 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.28 3ktl h ARG 69 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 3ktl h ARG 69 CO -0.98 0.18 -0.19 0.00 -1.07 0.00 0.00 179.97 177.92 3ktl h ALA 70 N 1.82 0.32 -0.00 0.04 0.00 -1.28 -0.94 119.26 119.22 3ktl h ALA 70 Ca -0.00 -0.35 -0.21 0.00 0.00 0.00 0.00 54.91 54.35 3ktl h ALA 70 Cb 0.44 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3ktl h ALA 70 CO 0.02 0.25 -0.91 0.00 0.00 0.00 0.00 179.25 178.61 3ktl h ALA 71 N 0.67 0.43 -0.78 0.00 0.00 -1.44 -2.51 119.26 115.63 3ktl h ALA 71 Ca 0.04 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.22 3ktl h ALA 71 Cb 0.73 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3ktl h ALA 71 CO 0.05 0.85 0.40 -0.07 0.00 0.00 0.00 179.25 180.48 3ktl h LEU 72 N 0.19 1.00 -0.47 0.00 3.38 -1.34 0.61 115.31 118.68 3ktl h LEU 72 Ca -0.06 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.63 3ktl h LEU 72 Cb 1.54 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 3ktl h LEU 72 CO 0.15 0.83 -0.44 0.78 0.09 0.00 0.00 178.44 179.85 3ktl h ASN 73 N 1.09 0.83 0.25 -0.43 2.35 -1.16 0.20 115.58 118.71 3ktl h ASN 73 Ca 0.27 -0.40 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 3ktl h ASN 73 Cb 0.07 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.21 3ktl h ASN 73 CO -0.04 1.15 -0.12 0.22 -1.65 0.00 0.00 177.43 176.99 3ktl h TYR 74 N 0.62 -0.31 -0.42 1.19 3.20 -1.12 -1.65 116.97 118.47 3ktl h TYR 74 Ca 0.04 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.98 3ktl h TYR 74 Cb 1.01 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 39.32 3ktl h TYR 74 CO 0.05 -0.01 0.03 0.82 -1.64 0.00 0.00 178.16 177.42 3ktl h ILE 75 N -0.61 0.72 -0.43 1.81 2.04 -0.75 -0.65 117.51 119.64 3ktl h ILE 75 Ca -0.03 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.82 3ktl h ILE 75 Cb 0.44 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 3ktl h ILE 75 CO 0.06 0.03 0.18 0.00 0.00 0.00 0.00 178.15 178.41 3ktl h ALA 76 N 1.35 0.53 -0.50 1.87 0.00 -0.59 -1.25 119.26 120.67 3ktl h ALA 76 Ca 0.21 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 3ktl h ALA 76 Cb 0.28 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3ktl h ALA 76 CO -0.32 -0.20 0.04 0.77 0.00 0.00 0.00 179.25 179.55 3ktl h SER 77 N 0.37 0.83 -0.77 0.00 0.02 -1.12 0.18 113.55 113.06 3ktl h SER 77 Ca 0.20 -0.29 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 3ktl h SER 77 Cb 0.15 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 3ktl h SER 77 CO -0.17 0.91 0.31 0.50 -1.14 0.00 0.00 176.83 177.23 3ktl h LYS 78 N 0.72 1.16 -0.57 3.45 3.64 -0.61 -2.53 116.57 121.84 3ktl h LYS 78 Ca 0.15 -0.21 -0.17 0.00 -1.27 0.00 0.00 60.65 59.15 3ktl h LYS 78 Cb 0.46 -0.19 -0.10 0.00 -0.41 0.00 0.00 32.23 31.99 3ktl h LYS 78 CO 0.02 0.94 0.16 0.66 -2.27 0.00 0.00 179.45 178.96 3ktl n TYR 79 N -4.28 1.89 -3.78 1.91 4.01 -0.52 -4.96 117.16 111.43 3ktl n TYR 79 Ca 0.07 -1.23 -0.27 0.00 -0.16 0.00 0.00 57.90 56.31 3ktl n TYR 79 Cb 0.18 -0.58 0.05 0.00 -0.31 0.00 0.00 39.34 38.68 3ktl n TYR 79 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3ktl n ASN 80 N -0.45 -5.00 -0.47 7.72 3.02 -0.95 -4.88 115.26 114.24 3ktl n ASN 80 Ca 0.36 -0.70 0.09 0.00 -0.03 0.00 0.00 54.58 54.30 3ktl n ASN 80 Cb 1.22 -4.31 0.19 0.00 -0.61 0.00 0.00 39.78 36.28 3ktl n ASN 80 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ktl n LEU 81 N -4.75 3.08 -0.98 3.41 4.77 0.61 -4.66 117.00 118.48 3ktl n LEU 81 Ca -0.00 -2.98 -0.01 0.00 -0.03 0.00 0.00 56.01 52.98 3ktl n LEU 81 Cb 0.55 -0.46 0.19 0.00 -2.33 0.00 0.00 43.42 41.37 3ktl n LEU 81 CO 0.71 0.69 0.52 0.00 -1.33 0.00 0.00 177.39 177.98 3ktl n TYR 82 N -0.91 0.72 0.00 -1.77 4.19 -1.15 -0.85 117.16 117.39 3ktl n TYR 82 Ca 0.18 -1.62 0.00 0.00 3.31 0.00 0.00 57.90 59.77 3ktl n TYR 82 Cb 0.74 -0.39 0.00 0.00 0.49 0.00 0.00 39.34 40.18 3ktl n TYR 82 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3ktl n GLY 83 N -1.10 -1.07 0.00 2.98 0.00 -1.26 -4.00 105.19 100.74 3ktl n GLY 83 Ca 0.28 -1.62 0.09 0.00 0.00 0.00 0.00 46.02 44.76 3ktl n GLY 83 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ktl n LYS 84 N -0.99 0.88 -3.72 1.61 2.85 -1.26 -4.91 118.16 112.62 3ktl n LYS 84 Ca 0.00 -0.03 -0.10 0.00 -1.05 0.00 0.00 58.31 57.13 3ktl n LYS 84 Cb 0.00 -1.38 0.02 0.00 -0.65 0.00 0.00 35.03 33.02 3ktl n LYS 84 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3ktl n ASP 85 N -1.56 -2.03 0.10 -5.58 5.68 -1.26 -5.04 116.55 106.87 3ktl n ASP 85 Ca 0.02 -2.60 -0.02 0.00 -0.50 0.00 0.00 54.79 51.69 3ktl n ASP 85 Cb 0.32 3.44 0.21 0.00 -1.14 0.00 0.00 41.12 43.95 3ktl n ASP 85 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3ktl h ILE 86 N 1.96 1.33 -0.05 2.12 2.10 -1.95 -1.18 117.51 121.85 3ktl h ILE 86 Ca -0.31 -1.64 -0.15 0.00 1.08 0.00 0.00 64.86 63.83 3ktl h ILE 86 Cb 1.19 1.79 -0.01 0.00 -1.09 0.00 0.00 36.82 38.69 3ktl h ILE 86 CO 0.40 0.48 -0.66 0.11 -1.08 0.00 0.00 178.15 177.40 3ktl h LYS 87 N 0.16 0.19 -0.30 2.19 1.57 -1.98 -1.78 116.57 116.62 3ktl h LYS 87 Ca 0.01 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.49 3ktl h LYS 87 Cb 0.88 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.22 3ktl h LYS 87 CO 0.07 0.78 -0.38 0.93 -0.57 0.00 0.00 179.45 180.28 3ktl h GLU 88 N 0.14 0.79 -0.28 3.15 5.08 -1.85 -2.26 114.58 119.34 3ktl h GLU 88 Ca -0.01 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3ktl h GLU 88 Cb 1.19 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 3ktl h GLU 88 CO 0.10 1.08 0.19 -0.09 -1.00 0.00 0.00 179.01 179.28 3ktl h ARG 89 N 0.55 0.36 -0.42 2.33 2.43 -1.11 -0.53 114.38 117.99 3ktl h ARG 89 Ca 0.04 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.04 3ktl h ARG 89 Cb 0.98 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 3ktl h ARG 89 CO 0.09 0.24 -0.30 0.00 -1.51 0.00 0.00 179.97 178.49 3ktl h ALA 90 N 1.83 0.60 -0.57 2.80 0.00 -0.76 0.19 119.26 123.35 3ktl h ALA 90 Ca 0.10 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 3ktl h ALA 90 Cb -0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3ktl h ALA 90 CO -0.02 0.65 0.17 -0.07 0.00 0.00 0.00 179.25 179.97 3ktl h LEU 91 N 0.78 0.83 0.03 0.00 3.38 -0.97 -0.71 115.31 118.65 3ktl h LEU 91 Ca 0.08 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.85 3ktl h LEU 91 Cb 0.89 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3ktl h LEU 91 CO 0.08 0.83 -0.13 0.40 0.09 0.00 0.00 178.44 179.71 3ktl h ILE 92 N 0.80 0.69 -0.82 1.22 2.04 -0.89 -0.55 117.51 120.01 3ktl h ILE 92 Ca 0.18 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.01 3ktl h ILE 92 Cb 0.30 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 3ktl h ILE 92 CO -0.00 0.00 0.39 0.44 0.00 0.00 0.00 178.15 178.98 3ktl h ASP 93 N -0.23 1.06 -0.43 1.72 3.32 -0.46 0.16 116.42 121.57 3ktl h ASP 93 Ca 0.04 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3ktl h ASP 93 Cb 0.27 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3ktl h ASP 93 CO -0.11 0.90 0.25 -0.03 -1.72 0.00 0.00 179.24 178.53 3ktl h MET 94 N 1.16 0.59 -0.19 3.56 1.85 -0.81 -0.82 114.93 120.27 3ktl h MET 94 Ca 0.28 -0.06 -0.03 0.00 -0.61 0.00 0.00 59.70 59.28 3ktl h MET 94 Cb 0.11 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 3ktl h MET 94 CO -0.04 0.45 -0.01 1.88 -0.40 0.00 0.00 176.91 178.79 3ktl h TYR 95 N 0.56 0.39 0.00 1.39 0.05 -0.61 -2.93 116.97 115.82 3ktl h TYR 95 Ca 0.15 -0.07 -0.06 0.00 0.05 0.00 0.00 58.73 58.80 3ktl h TYR 95 Cb 0.02 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 3ktl h TYR 95 CO -0.03 0.57 -0.27 -0.84 -1.05 0.00 0.00 178.16 176.55 3ktl h ILE 96 N 0.10 0.54 -0.00 -2.88 3.07 -0.49 -2.41 117.51 115.44 3ktl h ILE 96 Ca 0.05 -1.40 -0.13 0.00 1.55 0.00 0.00 64.86 64.94 3ktl h ILE 96 Cb 0.42 1.98 -0.02 0.00 -0.27 0.00 0.00 36.82 38.94 3ktl h ILE 96 CO 0.01 0.26 -0.60 -0.33 -1.05 0.00 0.00 178.15 176.45 3ktl h GLU 97 N 0.00 0.01 -0.43 0.16 4.39 -1.11 0.70 114.58 118.29 3ktl h GLU 97 Ca -0.00 -0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 3ktl h GLU 97 Cb 0.96 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.59 3ktl h GLU 97 CO 0.03 0.60 0.01 0.78 -1.16 0.00 0.00 179.01 179.28 3ktl h GLY 98 N 1.78 0.82 1.11 -3.84 0.00 -1.26 -1.55 103.07 100.13 3ktl h GLY 98 Ca -0.01 -0.59 0.04 0.00 0.00 0.00 0.00 47.33 46.77 3ktl h GLY 98 CO 0.08 0.54 0.51 -2.22 0.00 0.00 0.00 176.54 175.45 3ktl h ILE 99 N 0.60 1.12 -0.10 2.60 2.04 -1.25 -1.13 117.51 121.38 3ktl h ILE 99 Ca 0.12 -0.32 -0.21 0.00 1.00 0.00 0.00 64.86 65.45 3ktl h ILE 99 Cb 0.47 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3ktl h ILE 99 CO 0.02 0.17 -0.79 0.00 0.00 0.00 0.00 178.15 177.55 3ktl h ALA 100 N 1.55 0.41 -0.41 1.87 0.00 -0.63 0.45 119.26 122.50 3ktl h ALA 100 Ca 0.31 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3ktl h ALA 100 Cb 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ktl h ALA 100 CO -0.09 0.73 0.22 -0.44 0.00 0.00 0.00 179.25 179.66 3ktl h ASP 101 N 0.40 0.53 -0.55 0.00 3.32 -0.74 -0.96 116.42 118.41 3ktl h ASP 101 Ca -0.05 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 56.82 3ktl h ASP 101 Cb 1.40 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 3ktl h ASP 101 CO 0.15 0.48 0.05 0.25 -1.72 0.00 0.00 179.24 178.45 3ktl h LEU 102 N 0.53 0.91 -1.39 1.55 5.85 -1.17 -2.95 115.31 118.64 3ktl h LEU 102 Ca 0.14 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.63 3ktl h LEU 102 Cb 0.08 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 3ktl h LEU 102 CO -0.02 0.96 0.46 1.23 -0.34 0.00 0.00 178.44 180.73 3ktl h GLY 103 N 0.82 0.93 0.80 3.75 0.00 -0.74 -2.49 103.07 106.15 3ktl h GLY 103 Ca 0.16 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 3ktl h GLY 103 CO 0.02 0.24 -0.13 -2.09 0.00 0.00 0.00 176.54 174.58 3ktl h GLU 104 N 0.77 0.43 -0.57 4.80 4.57 -1.10 0.90 114.58 124.38 3ktl h GLU 104 Ca 0.29 -0.20 0.07 0.00 -1.18 0.00 0.00 59.36 58.34 3ktl h GLU 104 Cb 0.19 -0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.71 3ktl h GLU 104 CO -0.09 0.75 0.25 0.52 -1.18 0.00 0.00 179.01 179.25 3ktl h MET 105 N 0.11 0.45 -0.06 1.92 2.86 -1.33 -1.82 114.93 117.06 3ktl h MET 105 Ca 0.04 -0.03 -0.19 0.00 -2.06 0.00 0.00 59.70 57.46 3ktl h MET 105 Cb 0.64 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 32.21 3ktl h MET 105 CO 0.04 0.30 -0.70 0.82 1.06 0.00 0.00 176.91 178.42 3ktl h ILE 106 N 0.46 1.34 -0.51 -1.22 2.04 -1.25 -2.75 117.51 115.63 3ktl h ILE 106 Ca 0.27 -2.01 0.10 0.00 1.00 0.00 0.00 64.86 64.22 3ktl h ILE 106 Cb 0.26 2.30 -0.09 0.00 -0.74 0.00 0.00 36.82 38.55 3ktl h ILE 106 CO -0.23 0.61 -0.03 0.25 0.00 0.00 0.00 178.15 178.75 3ktl h LEU 107 N 0.21 -0.27 -0.36 1.44 5.85 -0.70 -2.97 115.31 118.51 3ktl h LEU 107 Ca -0.07 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3ktl h LEU 107 Cb 1.36 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.63 3ktl h LEU 107 CO 0.14 -0.10 -0.34 0.18 -0.34 0.00 0.00 178.44 177.99 3ktl n LEU 108 N -5.26 0.90 -0.37 2.25 4.77 -0.69 -4.24 117.00 114.36 3ktl n LEU 108 Ca 0.05 -0.20 -0.02 0.00 -0.03 0.00 0.00 56.01 55.82 3ktl n LEU 108 Cb 0.28 -0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 3ktl n LEU 108 CO 0.14 0.18 0.55 -0.11 -1.33 0.00 0.00 177.39 176.82 3ktl n LEU 109 N -0.88 -0.64 -0.17 2.23 7.94 -1.04 -1.64 117.00 122.80 3ktl n LEU 109 Ca 0.10 1.66 0.17 0.00 -1.11 0.00 0.00 56.01 56.83 3ktl n LEU 109 Cb 0.35 -0.37 0.52 0.00 0.53 0.00 0.00 43.42 44.45 3ktl n LEU 109 CO 0.29 -1.48 1.21 -0.65 -1.11 0.00 0.00 177.39 175.65 3ktl h PRO 110 N 0.00 0.37 -0.34 1.96 0.10 -1.80 -2.33 132.00 129.97 3ktl h PRO 110 Ca 0.32 -0.02 0.00 0.00 0.10 0.00 0.00 66.00 66.40 3ktl h PRO 110 Cb 0.56 -0.08 0.00 0.00 0.10 0.00 0.00 31.00 31.57 3ktl h PRO 110 CO -0.94 0.24 0.00 1.33 0.10 0.00 0.00 178.00 178.73 3ktl n VAL 111 N -4.47 0.45 -2.64 3.15 0.24 -0.65 -4.90 118.33 109.50 3ktl n VAL 111 Ca 0.15 -0.40 -0.38 0.00 -2.04 0.00 0.00 64.34 61.68 3ktl n VAL 111 Cb 0.58 0.14 -0.05 0.00 -1.47 0.00 0.00 33.84 33.04 3ktl n VAL 111 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ktl n PRO 113 N 0.62 2.34 0.15 0.00 -0.02 -1.26 -4.85 135.00 131.98 3ktl n PRO 113 Ca 0.02 0.83 0.08 0.00 -2.02 0.00 0.00 63.50 62.40 3ktl n PRO 113 Cb 0.48 -2.58 0.57 0.00 -0.02 0.00 0.00 33.50 31.96 3ktl n PRO 113 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3ktl h PRO 114 N 2.51 0.18 0.00 0.52 0.11 -1.96 0.18 132.00 133.54 3ktl h PRO 114 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3ktl h PRO 114 Cb 1.27 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3ktl h PRO 114 CO 0.62 0.12 0.00 0.39 -0.21 0.00 0.00 178.00 178.92 3ktl n GLU 115 N -4.51 0.22 -0.00 1.05 1.02 -1.26 -3.08 120.64 114.09 3ktl n GLU 115 Ca 0.00 0.04 0.10 0.00 -0.02 0.00 0.00 57.16 57.28 3ktl n GLU 115 Cb 0.12 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.92 3ktl n GLU 115 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3ktl n GLU 116 N -1.37 0.35 -0.16 3.49 1.02 0.60 -4.74 120.64 119.83 3ktl n GLU 116 Ca 0.10 -0.02 -0.10 0.00 -0.02 0.00 0.00 57.16 57.12 3ktl n GLU 116 Cb 0.25 -1.46 -0.00 0.00 -0.02 0.00 0.00 31.44 30.21 3ktl n GLU 116 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3ktl h LYS 117 N 0.00 0.81 -0.14 3.49 3.64 -1.37 -1.71 116.57 121.29 3ktl h LYS 117 Ca 0.00 -0.24 -0.15 0.00 -1.27 0.00 0.00 60.65 58.98 3ktl h LYS 117 Cb 0.54 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3ktl h LYS 117 CO 0.00 0.85 -0.52 -0.44 -2.27 0.00 0.00 179.45 177.07 3ktl h ASP 118 N 0.66 0.70 -0.00 4.20 5.19 -1.85 0.29 116.42 125.60 3ktl h ASP 118 Ca 0.14 -0.61 -0.07 0.00 -0.62 0.00 0.00 57.03 55.86 3ktl h ASP 118 Cb 0.47 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 3ktl h ASP 118 CO 0.02 1.19 -0.18 0.00 -3.12 0.00 0.00 179.24 177.15 3ktl h ALA 119 N 0.52 1.32 -0.29 3.45 0.00 -1.87 -1.40 119.26 121.00 3ktl h ALA 119 Ca -0.03 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.44 3ktl h ALA 119 Cb 1.15 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3ktl h ALA 119 CO 0.11 0.46 -0.50 0.87 0.00 0.00 0.00 179.25 180.19 3ktl h LYS 120 N 0.32 0.80 -0.24 0.00 1.57 -1.03 -0.56 116.57 117.44 3ktl h LYS 120 Ca 0.06 -0.48 -0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3ktl h LYS 120 Cb 0.51 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3ktl h LYS 120 CO 0.03 1.11 0.13 1.25 -0.57 0.00 0.00 179.45 181.41 3ktl h LEU 121 N 0.63 0.29 -1.32 2.94 5.85 -0.77 -1.29 115.31 121.64 3ktl h LEU 121 Ca 0.03 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 3ktl h LEU 121 Cb 1.08 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 3ktl h LEU 121 CO 0.11 0.28 -0.09 0.00 -0.34 0.00 0.00 178.44 178.40 3ktl h ALA 122 N 1.03 1.44 -0.32 1.25 0.00 -1.12 -1.18 119.26 120.36 3ktl h ALA 122 Ca 0.08 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 3ktl h ALA 122 Cb 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3ktl h ALA 122 CO -0.01 0.39 -0.20 1.25 0.00 0.00 0.00 179.25 180.68 3ktl h LEU 123 N 0.34 0.73 -0.13 0.00 5.85 -0.78 -2.12 115.31 119.20 3ktl h LEU 123 Ca 0.07 -0.43 0.02 0.00 0.84 0.00 0.00 57.88 58.38 3ktl h LEU 123 Cb 0.37 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3ktl h LEU 123 CO 0.02 0.99 0.02 0.40 -0.34 0.00 0.00 178.44 179.53 3ktl h ILE 124 N 0.46 0.94 -0.46 4.05 2.04 -0.50 -1.65 117.51 122.40 3ktl h ILE 124 Ca 0.07 -0.03 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 3ktl h ILE 124 Cb 0.74 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 3ktl h ILE 124 CO 0.05 0.01 0.02 0.11 0.00 0.00 0.00 178.15 178.35 3ktl h LYS 125 N 0.07 0.73 -0.38 2.37 1.57 -1.24 -1.47 116.57 118.23 3ktl h LYS 125 Ca 0.06 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3ktl h LYS 125 Cb 0.05 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3ktl h LYS 125 CO -0.08 0.73 0.23 1.49 -0.57 0.00 0.00 179.45 181.25 3ktl h GLU 126 N 0.69 0.52 -0.23 3.15 4.81 -1.17 -2.18 114.58 120.16 3ktl h GLU 126 Ca 0.14 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3ktl h GLU 126 Cb 0.39 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3ktl h GLU 126 CO 0.01 0.38 0.14 0.87 -0.73 0.00 0.00 179.01 179.69 3ktl h LYS 127 N 0.50 0.32 -0.11 1.92 1.57 -0.99 0.09 116.57 119.86 3ktl h LYS 127 Ca 0.14 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 3ktl h LYS 127 Cb -0.00 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.18 3ktl h LYS 127 CO -0.03 0.25 -0.50 0.82 -0.57 0.00 0.00 179.45 179.42 3ktl h ILE 128 N 0.29 0.05 -0.62 1.86 2.04 -1.23 0.78 117.51 120.67 3ktl h ILE 128 Ca 0.08 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.88 3ktl h ILE 128 Cb 0.01 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.11 3ktl h ILE 128 CO -0.02 0.00 0.13 0.11 0.00 0.00 0.00 178.15 178.38 3ktl h LYS 129 N -0.57 0.99 0.00 2.37 1.57 -1.31 0.20 116.57 119.82 3ktl h LYS 129 Ca 0.04 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3ktl h LYS 129 Cb 0.68 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3ktl h LYS 129 CO -0.41 0.89 -1.39 0.09 -0.57 0.00 0.00 179.45 178.06 3ktl n ASN 130 N -4.24 1.23 0.03 0.86 3.02 0.01 -4.45 115.26 111.72 3ktl n ASN 130 Ca 0.04 -0.27 -0.01 0.00 -0.03 0.00 0.00 54.58 54.32 3ktl n ASN 130 Cb 0.26 1.49 -0.00 0.00 -0.61 0.00 0.00 39.78 40.91 3ktl n ASN 130 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3ktl n ARG 131 N -1.82 0.05 -0.08 3.52 0.63 0.26 -4.79 116.66 114.42 3ktl n ARG 131 Ca -0.01 0.02 -0.16 0.00 -0.92 0.00 0.00 57.85 56.78 3ktl n ARG 131 Cb 0.35 -0.58 -0.13 0.00 0.45 0.00 0.00 32.46 32.55 3ktl n ARG 131 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 3ktl h TYR 132 N -0.09 0.00 -0.59 -0.14 0.05 -1.11 -3.09 116.97 111.99 3ktl h TYR 132 Ca -0.01 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.69 3ktl h TYR 132 Cb 0.23 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 3ktl h TYR 132 CO -0.03 1.12 0.05 0.74 -1.05 0.00 0.00 178.16 178.98 3ktl h PHE 133 N -1.00 1.07 0.00 4.88 0.04 -1.17 -0.84 116.94 119.93 3ktl h PHE 133 Ca -0.08 -0.16 -0.04 0.00 2.80 0.00 0.00 57.97 60.48 3ktl h PHE 133 Cb 1.07 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.92 3ktl h PHE 133 CO 0.23 0.93 -0.21 -1.35 -0.60 0.00 0.00 178.31 177.32 3ktl h PRO 134 N 0.93 0.00 -0.27 1.51 0.11 -1.74 -0.55 132.00 131.99 3ktl h PRO 134 Ca 0.18 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.15 3ktl h PRO 134 Cb 0.48 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 3ktl h PRO 134 CO 0.02 0.21 -0.39 0.00 -0.21 0.00 0.00 178.00 177.63 3ktl h ALA 135 N 1.79 0.83 0.04 -0.75 0.00 -1.07 -0.27 119.26 119.82 3ktl h ALA 135 Ca -0.00 -0.44 -0.26 0.00 0.00 0.00 0.00 54.91 54.21 3ktl h ALA 135 Cb 0.42 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3ktl h ALA 135 CO 0.03 0.65 -1.37 0.74 0.00 0.00 0.00 179.25 179.29 3ktl h PHE 136 N 0.51 0.14 -0.72 0.00 0.04 -1.19 -2.63 116.94 113.09 3ktl h PHE 136 Ca 0.05 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 3ktl h PHE 136 Cb 0.90 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 39.01 3ktl h PHE 136 CO 0.04 1.12 0.33 1.49 -0.60 0.00 0.00 178.31 180.68 3ktl h GLU 137 N 0.02 1.05 -0.51 1.51 4.57 -0.98 -1.79 114.58 118.44 3ktl h GLU 137 Ca -0.16 -0.17 0.02 0.00 -1.18 0.00 0.00 59.36 57.87 3ktl h GLU 137 Cb 1.92 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 30.29 3ktl h GLU 137 CO 0.12 0.84 0.31 -0.22 -1.18 0.00 0.00 179.01 178.88 3ktl h LYS 138 N 1.01 0.59 0.08 1.92 3.64 -1.03 -0.66 116.57 122.12 3ktl h LYS 138 Ca 0.24 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.61 3ktl h LYS 138 Cb 0.15 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 3ktl h LYS 138 CO -0.03 0.39 -0.24 0.28 -2.27 0.00 0.00 179.45 177.58 3ktl h VAL 139 N 0.61 0.46 -0.82 2.00 2.07 -1.07 0.31 116.25 119.80 3ktl h VAL 139 Ca 0.21 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.72 3ktl h VAL 139 Cb 0.02 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 3ktl h VAL 139 CO -0.10 0.00 0.49 -0.07 0.02 0.00 0.00 177.57 177.92 3ktl h LEU 140 N -0.42 0.98 -0.84 2.57 3.38 -1.07 -1.75 115.31 118.16 3ktl h LEU 140 Ca 0.04 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3ktl h LEU 140 Cb 0.47 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3ktl h LEU 140 CO -0.16 0.75 -0.31 0.50 0.09 0.00 0.00 178.44 179.31 3ktl h LYS 141 N 1.13 0.00 -0.09 1.13 3.64 -0.91 0.83 116.57 122.31 3ktl h LYS 141 Ca 0.29 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.62 3ktl h LYS 141 Cb -0.05 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3ktl h LYS 141 CO -0.06 0.31 -0.21 0.66 -2.27 0.00 0.00 179.45 177.88 3ktl h SER 142 N 0.00 0.15 0.00 4.20 4.64 0.01 -3.30 113.55 119.25 3ktl h SER 142 Ca -0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3ktl h SER 142 Cb 0.90 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3ktl h SER 142 CO 0.04 0.37 -0.40 0.00 -0.87 0.00 0.00 176.83 175.97 3ktl n HIS 143 N -4.23 0.00 -1.20 4.77 1.44 -1.19 -5.03 115.22 109.78 3ktl n HIS 143 Ca -0.01 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.63 3ktl n HIS 143 Cb 0.31 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.39 3ktl n HIS 143 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3ktl n GLY 144 N 1.57 0.77 3.97 -1.39 0.00 0.28 -4.99 105.19 105.41 3ktl n GLY 144 Ca 0.00 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 3ktl n GLY 144 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ktl s GLN 145 N -2.31 3.23 0.25 1.61 -0.21 -1.26 -4.99 119.66 115.98 3ktl s GLN 145 Ca 0.00 -0.67 0.25 0.00 0.02 0.00 0.00 55.36 54.96 3ktl s GLN 145 Cb 0.00 -2.72 0.92 0.00 1.00 0.00 0.00 33.01 32.21 3ktl s GLN 145 CO 0.00 0.04 1.74 -0.25 -2.12 0.00 0.00 175.29 174.71 3ktl n ASP 146 N -1.76 0.75 -4.39 5.90 8.00 -1.26 -4.81 116.55 118.98 3ktl n ASP 146 Ca -0.02 0.63 -0.22 0.00 0.71 0.00 0.00 54.79 55.89 3ktl n ASP 146 Cb 0.57 -0.81 -0.11 0.00 -0.02 0.00 0.00 41.12 40.76 3ktl n ASP 146 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3ktl s TYR 147 N -3.24 1.98 0.09 1.24 2.02 -1.26 -4.93 117.35 113.25 3ktl s TYR 147 Ca 0.07 -0.45 -0.16 0.00 -0.37 0.00 0.00 57.07 56.16 3ktl s TYR 147 Cb 0.10 -0.92 -0.09 0.00 -0.40 0.00 0.00 41.96 40.65 3ktl s TYR 147 CO 0.48 0.47 1.42 -0.07 -1.57 0.00 0.00 175.55 176.28 3ktl h LEU 148 N 2.74 0.69 -8.14 -1.29 3.38 -1.87 -3.42 115.31 107.39 3ktl h LEU 148 Ca -0.41 -0.46 -0.52 0.00 0.09 0.00 0.00 57.88 56.58 3ktl h LEU 148 Cb 1.23 -0.19 -0.31 0.00 0.09 0.00 0.00 40.66 41.47 3ktl h LEU 148 CO 0.57 1.01 -0.82 -0.69 0.09 0.00 0.00 178.44 178.59 3ktl s VAL 149 N -4.40 1.22 -1.34 1.22 1.01 -1.26 -4.85 120.40 112.00 3ktl s VAL 149 Ca -0.13 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.25 3ktl s VAL 149 Cb 0.08 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.41 3ktl s VAL 149 CO 0.82 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.88 3ktl n GLY 150 N 3.19 1.21 3.69 4.51 0.00 -1.26 -2.73 105.19 113.80 3ktl n GLY 150 Ca -0.18 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 3ktl n GLY 150 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ktl n ASN 151 N -1.18 -4.84 -3.72 1.61 5.15 -1.26 -4.95 115.26 106.06 3ktl n ASN 151 Ca -0.13 -0.63 -0.13 0.00 -0.60 0.00 0.00 54.58 53.09 3ktl n ASN 151 Cb 0.60 -3.89 -0.10 0.00 -0.53 0.00 0.00 39.78 35.86 3ktl n ASN 151 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3ktl s LYS 152 N -6.39 0.53 0.15 1.20 2.20 -1.11 -4.93 119.74 111.40 3ktl s LYS 152 Ca 0.57 0.61 -0.34 0.00 -0.36 0.00 0.00 55.97 56.45 3ktl s LYS 152 Cb -0.28 0.26 -0.16 0.00 -1.51 0.00 0.00 37.83 36.13 3ktl s LYS 152 CO 0.70 -0.07 1.19 -0.11 -0.36 0.00 0.00 175.35 176.71 3ktl n LEU 153 N 2.81 1.44 -4.28 5.43 7.94 -1.26 -4.56 117.00 124.51 3ktl n LEU 153 Ca -0.13 1.14 -0.16 0.00 -1.11 0.00 0.00 56.01 55.74 3ktl n LEU 153 Cb 0.57 -1.19 -0.10 0.00 0.53 0.00 0.00 43.42 43.23 3ktl n LEU 153 CO 0.12 -1.30 -0.21 -0.94 -1.11 0.00 0.00 177.39 173.95 3ktl s SER 154 N 0.09 1.02 0.56 1.96 1.04 -1.26 -4.76 113.70 112.34 3ktl s SER 154 Ca 0.76 -1.49 0.24 0.00 0.48 0.00 0.00 55.95 55.95 3ktl s SER 154 Cb -0.89 0.36 1.54 0.00 0.10 0.00 0.00 66.02 67.12 3ktl s SER 154 CO 0.51 -0.86 2.14 0.08 0.98 0.00 0.00 173.24 176.09 3ktl h ARG 155 N 2.38 0.00 -0.64 4.02 0.11 -1.38 -1.02 114.38 117.85 3ktl h ARG 155 Ca -0.34 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.71 3ktl h ARG 155 Cb 1.25 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.30 3ktl h ARG 155 CO 0.52 0.00 0.28 0.00 0.10 0.00 0.00 179.97 180.87 3ktl h ALA 156 N 1.89 0.82 -0.84 0.08 0.00 -1.91 0.89 119.26 120.20 3ktl h ALA 156 Ca 0.06 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3ktl h ALA 156 Cb 0.29 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3ktl h ALA 156 CO -0.00 0.42 0.56 -0.44 0.00 0.00 0.00 179.25 179.78 3ktl h ASP 157 N 0.88 0.96 -0.03 0.00 3.32 -1.58 -1.65 116.42 118.33 3ktl h ASP 157 Ca 0.21 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 3ktl h ASP 157 Cb 0.17 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3ktl h ASP 157 CO -0.02 0.70 -0.15 0.40 -1.72 0.00 0.00 179.24 178.45 3ktl h ILE 158 N 1.14 1.48 -0.47 0.35 1.08 -1.22 -0.65 117.51 119.21 3ktl h ILE 158 Ca 0.31 -1.64 -0.07 0.00 -0.39 0.00 0.00 64.86 63.07 3ktl h ILE 158 Cb -0.13 2.47 -0.02 0.00 -3.07 0.00 0.00 36.82 36.07 3ktl h ILE 158 CO -0.07 0.45 0.00 0.45 -0.69 0.00 0.00 178.15 178.29 3ktl h HIS 159 N -0.43 0.83 -0.15 1.37 3.86 -0.86 0.62 115.15 120.39 3ktl h HIS 159 Ca -0.01 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.07 3ktl h HIS 159 Cb 0.81 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 3ktl h HIS 159 CO 0.15 0.77 0.01 1.25 0.86 0.00 0.00 177.93 180.96 3ktl h LEU 160 N 0.73 0.25 -0.85 2.43 5.85 -1.21 -1.71 115.31 120.80 3ktl h LEU 160 Ca 0.14 -0.29 -0.12 0.00 0.84 0.00 0.00 57.88 58.46 3ktl h LEU 160 Cb 0.44 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3ktl h LEU 160 CO 0.02 0.48 -0.40 0.58 -0.34 0.00 0.00 178.44 178.77 3ktl h VAL 161 N 0.02 1.31 -0.64 1.05 2.07 -0.79 0.84 116.25 120.09 3ktl h VAL 161 Ca 0.04 -1.53 0.04 0.00 0.82 0.00 0.00 66.70 66.08 3ktl h VAL 161 Cb 0.34 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.69 3ktl h VAL 161 CO 0.01 0.47 0.37 -0.08 0.02 0.00 0.00 177.57 178.36 3ktl h GLU 162 N 0.30 0.69 -0.64 1.57 4.81 -0.78 -2.56 114.58 117.98 3ktl h GLU 162 Ca 0.03 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 3ktl h GLU 162 Cb 0.84 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 3ktl h GLU 162 CO 0.07 0.46 0.04 1.25 -0.73 0.00 0.00 179.01 180.09 3ktl h LEU 163 N 0.71 1.06 -1.11 1.64 5.85 -0.21 -2.08 115.31 121.18 3ktl h LEU 163 Ca 0.28 -0.29 0.19 0.00 0.84 0.00 0.00 57.88 58.90 3ktl h LEU 163 Cb 0.11 -0.28 -0.10 0.00 0.37 0.00 0.00 40.66 40.76 3ktl h LEU 163 CO -0.15 1.09 0.61 -0.07 -0.34 0.00 0.00 178.44 179.59 3ktl h LEU 164 N 1.01 0.72 -0.70 2.25 3.38 -0.61 -1.66 115.31 119.70 3ktl h LEU 164 Ca 0.19 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 3ktl h LEU 164 Cb 0.52 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3ktl h LEU 164 CO 0.02 0.26 0.26 1.88 0.09 0.00 0.00 178.44 180.96 3ktl h TYR 165 N 0.70 1.09 -0.11 1.13 0.05 -0.98 -1.54 116.97 117.30 3ktl h TYR 165 Ca 0.56 -0.09 -0.16 0.00 0.05 0.00 0.00 58.73 59.09 3ktl h TYR 165 Cb 0.96 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 38.37 3ktl h TYR 165 CO -0.00 0.85 -0.63 1.88 -1.05 0.00 0.00 178.16 179.21 3ktl h TYR 166 N 1.01 0.54 -0.17 4.88 0.05 -1.21 -1.81 116.97 120.26 3ktl h TYR 166 Ca 0.23 -0.21 -0.12 0.00 0.05 0.00 0.00 58.73 58.68 3ktl h TYR 166 Cb 0.24 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 3ktl h TYR 166 CO 0.02 0.93 -0.41 0.28 -1.05 0.00 0.00 178.16 177.93 3ktl h VAL 167 N 0.30 1.31 -0.54 -2.88 2.07 -1.25 -2.16 116.25 113.09 3ktl h VAL 167 Ca -0.01 -1.55 -0.05 0.00 0.82 0.00 0.00 66.70 65.92 3ktl h VAL 167 Cb 1.17 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 3ktl h VAL 167 CO 0.11 0.47 0.16 -0.08 0.02 0.00 0.00 177.57 178.25 3ktl h GLU 168 N 0.32 0.85 -0.50 1.57 4.81 -1.00 0.80 114.58 121.43 3ktl h GLU 168 Ca 0.03 -0.19 0.02 0.00 -0.13 0.00 0.00 59.36 59.09 3ktl h GLU 168 Cb 0.85 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 3ktl h GLU 168 CO 0.07 0.79 0.33 0.93 -0.73 0.00 0.00 179.01 180.40 3ktl h GLU 169 N 0.76 0.60 0.21 1.92 5.08 -1.07 -2.93 114.58 119.15 3ktl h GLU 169 Ca 0.17 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3ktl h GLU 169 Cb 0.30 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3ktl h GLU 169 CO -0.00 0.40 -0.10 1.25 -1.00 0.00 0.00 179.01 179.55 3ktl h LEU 170 N 0.62 -0.24 -6.02 1.33 5.85 -0.84 -3.45 115.31 112.56 3ktl h LEU 170 Ca 0.20 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.70 3ktl h LEU 170 Cb 0.03 0.06 -0.21 0.00 0.37 0.00 0.00 40.66 40.91 3ktl h LEU 170 CO -0.05 0.27 -0.31 -0.62 -0.34 0.00 0.00 178.44 177.40 3ktl s ASP 171 N -5.35 -1.39 0.31 1.25 -1.08 0.23 -5.04 116.67 105.60 3ktl s ASP 171 Ca -0.12 0.66 0.22 0.00 -0.52 0.00 0.00 52.55 52.80 3ktl s ASP 171 Cb 0.01 2.09 1.12 0.00 -1.46 0.00 0.00 42.92 44.68 3ktl s ASP 171 CO 0.44 -0.27 1.68 -1.54 0.52 0.00 0.00 175.17 176.00 3ktl n SER 172 N 5.42 0.60 0.01 -0.34 3.41 -1.11 -1.92 113.62 119.69 3ktl n SER 172 Ca 0.01 0.74 0.13 0.00 -0.26 0.00 0.00 58.87 59.49 3ktl n SER 172 Cb 0.52 -0.83 0.51 0.00 -0.26 0.00 0.00 64.21 64.14 3ktl n SER 172 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ktl n SER 173 N -2.26 0.20 0.06 4.04 3.41 -1.26 -4.26 113.62 113.55 3ktl n SER 173 Ca -0.00 0.33 0.02 0.00 -0.26 0.00 0.00 58.87 58.96 3ktl n SER 173 Cb 0.09 -0.34 0.37 0.00 -0.26 0.00 0.00 64.21 64.07 3ktl n SER 173 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ktl h LEU 174 N 0.00 0.37 -0.30 1.04 3.38 -1.71 -1.11 115.31 116.97 3ktl h LEU 174 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3ktl h LEU 174 Cb 0.53 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3ktl h LEU 174 CO 0.00 0.43 -0.14 0.00 0.09 0.00 0.00 178.44 178.82 3ktl n ILE 175 N -4.33 0.00 0.14 1.22 3.06 -1.26 -4.38 119.36 113.81 3ktl n ILE 175 Ca 0.01 -0.08 -0.00 0.00 -2.50 0.00 0.00 62.75 60.18 3ktl n ILE 175 Cb 0.21 0.02 0.26 0.00 0.54 0.00 0.00 39.64 40.67 3ktl n ILE 175 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 3ktl h SER 176 N 0.73 0.11 -0.13 9.51 4.64 -1.44 0.10 113.55 127.07 3ktl h SER 176 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3ktl h SER 176 Cb 0.39 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3ktl h SER 176 CO 0.00 0.54 0.00 -1.54 -0.87 0.00 0.00 176.83 174.96 3ktl n SER 177 N -4.01 0.77 -3.88 4.97 3.41 -1.26 -4.50 113.62 109.13 3ktl n SER 177 Ca -0.02 -1.92 -0.28 0.00 -0.26 0.00 0.00 58.87 56.39 3ktl n SER 177 Cb 0.48 -0.09 -0.12 0.00 -0.26 0.00 0.00 64.21 64.22 3ktl n SER 177 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3ktl s PHE 178 N -1.82 3.38 0.26 7.33 0.08 0.36 -4.97 117.98 122.60 3ktl s PHE 178 Ca 0.13 -3.26 -0.02 0.00 0.12 0.00 0.00 56.93 53.90 3ktl s PHE 178 Cb 0.07 -2.61 0.47 0.00 -0.57 0.00 0.00 43.02 40.37 3ktl s PHE 178 CO 0.10 -0.58 1.80 -1.00 -0.10 0.00 0.00 175.22 175.43 3ktl h PRO 179 N 5.54 0.73 -0.46 0.24 0.13 -1.79 -2.44 132.00 133.95 3ktl h PRO 179 Ca 0.13 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 65.09 3ktl h PRO 179 Cb 0.78 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 3ktl h PRO 179 CO 0.69 0.48 -0.19 -0.07 -0.23 0.00 0.00 178.00 178.69 3ktl h LEU 180 N 0.75 0.93 -0.75 1.56 3.38 -1.94 -1.62 115.31 117.63 3ktl h LEU 180 Ca 0.43 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 58.09 3ktl h LEU 180 Cb 0.49 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3ktl h LEU 180 CO -0.29 1.10 0.49 -0.07 0.09 0.00 0.00 178.44 179.76 3ktl h LEU 181 N 0.80 0.83 -0.65 1.67 3.38 -1.90 -0.18 115.31 119.27 3ktl h LEU 181 Ca 0.11 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3ktl h LEU 181 Cb 0.74 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 3ktl h LEU 181 CO 0.06 0.59 0.35 0.11 0.09 0.00 0.00 178.44 179.64 3ktl h LYS 182 N 0.98 0.90 -0.43 1.13 1.57 -0.91 -0.98 116.57 118.84 3ktl h LYS 182 Ca 0.29 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3ktl h LYS 182 Cb -0.06 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 3ktl h LYS 182 CO -0.08 0.69 0.27 0.00 -0.57 0.00 0.00 179.45 179.75 3ktl h ALA 183 N 1.17 0.54 -0.25 3.86 0.00 -1.11 -2.15 119.26 121.31 3ktl h ALA 183 Ca 0.23 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3ktl h ALA 183 Cb 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3ktl h ALA 183 CO -0.04 0.02 0.02 1.25 0.00 0.00 0.00 179.25 180.50 3ktl h LEU 184 N 0.57 -0.06 -0.61 0.00 5.85 -0.81 0.85 115.31 121.09 3ktl h LEU 184 Ca 0.15 0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.02 3ktl h LEU 184 Cb -0.02 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 3ktl h LEU 184 CO -0.03 0.00 0.22 0.50 -0.34 0.00 0.00 178.44 178.79 3ktl h LYS 185 N 0.10 0.39 -0.04 1.25 3.64 -0.75 0.47 116.57 121.62 3ktl h LYS 185 Ca 0.12 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3ktl h LYS 185 Cb 0.14 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3ktl h LYS 185 CO -0.19 0.26 -0.01 1.15 -2.27 0.00 0.00 179.45 178.39 3ktl h THR 186 N 0.40 1.30 -0.30 1.00 2.02 -0.91 0.28 112.91 116.70 3ktl h THR 186 Ca 0.31 -0.94 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 3ktl h THR 186 Cb 0.39 1.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 3ktl h THR 186 CO -0.31 0.25 0.18 0.03 0.37 0.00 0.00 175.52 176.04 3ktl h ARG 187 N -0.28 0.41 -0.49 6.66 3.08 -0.64 -2.29 114.38 120.84 3ktl h ARG 187 Ca 0.01 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.92 3ktl h ARG 187 Cb 0.41 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 3ktl h ARG 187 CO 0.00 0.33 -0.08 0.82 -1.07 0.00 0.00 179.97 179.97 3ktl h ILE 188 N 0.38 1.27 -0.08 2.04 1.08 -0.85 -2.17 117.51 119.18 3ktl h ILE 188 Ca 0.11 -1.21 0.02 0.00 -0.39 0.00 0.00 64.86 63.39 3ktl h ILE 188 Cb 0.03 1.04 -0.00 0.00 -3.07 0.00 0.00 36.82 34.82 3ktl h ILE 188 CO -0.02 0.42 0.09 0.28 -0.69 0.00 0.00 178.15 178.23 3ktl h SER 189 N 0.78 0.00 0.51 1.72 0.02 -0.79 -1.79 113.55 113.99 3ktl h SER 189 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3ktl h SER 189 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3ktl h SER 189 CO 0.04 0.00 -0.41 0.59 -1.14 0.00 0.00 176.83 175.91 3ktl n ASN 190 N -3.81 0.52 -4.69 3.07 3.02 -0.83 -2.74 115.26 109.80 3ktl n ASN 190 Ca -0.01 -0.28 -0.44 0.00 -0.03 0.00 0.00 54.58 53.82 3ktl n ASN 190 Cb 0.19 0.16 -0.04 0.00 -0.61 0.00 0.00 39.78 39.48 3ktl n ASN 190 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ktl n LEU 191 N -1.37 3.45 -0.33 3.41 4.77 -0.68 -4.73 117.00 121.52 3ktl n LEU 191 Ca 0.07 1.08 0.01 0.00 -0.03 0.00 0.00 56.01 57.13 3ktl n LEU 191 Cb 0.34 -1.48 0.07 0.00 -2.33 0.00 0.00 43.42 40.01 3ktl n LEU 191 CO 0.33 -0.11 0.63 -0.65 -1.33 0.00 0.00 177.39 176.25 3ktl h PRO 192 N 6.16 -0.03 -0.72 3.23 0.11 -1.90 0.30 132.00 139.16 3ktl h PRO 192 Ca -0.44 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.61 3ktl h PRO 192 Cb 1.23 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 3ktl h PRO 192 CO 0.91 -0.02 0.23 1.79 -0.21 0.00 0.00 178.00 180.70 3ktl h THR 193 N -0.03 1.26 0.01 -1.15 1.35 -1.87 -1.99 112.91 110.48 3ktl h THR 193 Ca 0.37 -0.88 -0.22 0.00 -0.55 0.00 0.00 66.41 65.12 3ktl h THR 193 Cb 0.62 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 3ktl h THR 193 CO -0.92 0.35 -0.95 0.58 -0.25 0.00 0.00 175.52 174.33 3ktl h VAL 194 N 1.07 1.41 -0.39 6.82 2.07 -1.11 -2.19 116.25 123.94 3ktl h VAL 194 Ca 0.24 -2.49 0.03 0.00 0.82 0.00 0.00 66.70 65.29 3ktl h VAL 194 Cb 0.29 2.44 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 3ktl h VAL 194 CO -0.01 0.74 0.20 0.50 0.02 0.00 0.00 177.57 179.02 3ktl h LYS 195 N 0.21 0.40 -0.38 1.57 3.64 -0.33 -1.03 116.57 120.65 3ktl h LYS 195 Ca -0.08 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3ktl h LYS 195 Cb 1.59 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.30 3ktl h LYS 195 CO 0.16 0.26 0.24 -0.22 -2.27 0.00 0.00 179.45 177.63 3ktl h LYS 196 N 0.41 0.51 -0.08 1.90 3.64 -1.29 -2.13 116.57 119.53 3ktl h LYS 196 Ca 0.16 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 3ktl h LYS 196 Cb 0.05 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3ktl h LYS 196 CO -0.10 0.35 0.06 0.35 -2.27 0.00 0.00 179.45 177.85 3ktl h PHE 197 N 0.51 0.00 0.00 1.91 3.57 -0.94 -2.54 116.94 119.44 3ktl h PHE 197 Ca 0.14 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3ktl h PHE 197 Cb -0.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.71 3ktl h PHE 197 CO -0.04 0.00 -0.41 1.28 -2.23 0.00 0.00 178.31 176.91 3ktl n LEU 198 N -4.42 0.66 -4.77 0.59 4.77 -0.43 -4.54 117.00 108.85 3ktl n LEU 198 Ca -0.01 0.31 -0.35 0.00 -0.03 0.00 0.00 56.01 55.94 3ktl n LEU 198 Cb 0.17 -0.25 0.01 0.00 -2.33 0.00 0.00 43.42 41.03 3ktl n LEU 198 CO 0.34 -0.06 0.78 -1.10 -1.33 0.00 0.00 177.39 176.01 3ktl s GLN 199 N -3.12 3.25 0.28 3.23 -0.21 -0.96 -4.97 119.66 117.17 3ktl s GLN 199 Ca 0.08 1.60 -0.26 0.00 0.02 0.00 0.00 55.36 56.80 3ktl s GLN 199 Cb 0.14 -1.99 -0.16 0.00 1.00 0.00 0.00 33.01 32.00 3ktl s GLN 199 CO 0.67 -0.93 0.48 -2.30 -2.12 0.00 0.00 175.29 171.09 3ktl n PRO 200 N -1.48 0.23 -0.68 2.91 -0.02 -1.26 -3.39 135.00 131.31 3ktl n PRO 200 Ca 0.12 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 3ktl n PRO 200 Cb 0.51 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.83 3ktl n PRO 200 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ktl n GLY 201 N 1.96 0.71 3.96 -1.23 0.00 -1.26 -5.05 105.19 104.28 3ktl n GLY 201 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 3ktl n GLY 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ktl s SER 202 N -2.27 4.00 0.00 1.61 1.04 -1.22 -4.97 113.70 111.89 3ktl s SER 202 Ca 0.00 -0.01 0.09 0.00 0.48 0.00 0.00 55.95 56.50 3ktl s SER 202 Cb 0.00 -0.30 0.37 0.00 0.10 0.00 0.00 66.02 66.20 3ktl s SER 202 CO 0.00 -2.12 1.27 -2.65 0.98 0.00 0.00 173.24 170.73 3ktl n PRO 203 N -3.17 0.01 -1.66 4.02 -0.02 -1.26 -4.81 135.00 128.11 3ktl n PRO 203 Ca 0.14 0.34 -0.45 0.00 -2.02 0.00 0.00 63.50 61.52 3ktl n PRO 203 Cb 0.60 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.56 3ktl n PRO 203 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3ktl n ARG 204 N -1.49 1.89 -3.99 -0.52 0.63 -1.26 -4.96 116.66 106.96 3ktl n ARG 204 Ca 0.02 0.67 -0.33 0.00 -0.92 0.00 0.00 57.85 57.29 3ktl n ARG 204 Cb 0.10 -2.26 -0.06 0.00 0.45 0.00 0.00 32.46 30.70 3ktl n ARG 204 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3ktl s LYS 205 N -0.90 3.27 0.97 -0.14 -0.14 -1.26 -4.99 119.74 116.55 3ktl s LYS 205 Ca 0.64 -0.39 -0.12 0.00 -1.36 0.00 0.00 55.97 54.75 3ktl s LYS 205 Cb -0.66 -3.00 0.17 0.00 -1.68 0.00 0.00 37.83 32.67 3ktl s LYS 205 CO 0.54 0.67 1.09 -1.25 -0.76 0.00 0.00 175.35 175.63 3ktl s PRO 206 N -1.83 0.68 0.66 -1.68 0.04 -1.26 -4.85 135.00 126.76 3ktl s PRO 206 Ca 0.25 0.96 -0.17 0.00 0.04 0.00 0.00 61.00 62.07 3ktl s PRO 206 Cb -0.12 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 3ktl s PRO 206 CO 0.16 -2.68 1.20 -2.30 0.04 0.00 0.00 177.00 173.42 3ktl n PRO 207 N -4.20 0.94 -2.63 0.56 -0.02 -1.26 -4.39 135.00 124.00 3ktl n PRO 207 Ca 0.07 0.38 -0.43 0.00 -2.02 0.00 0.00 63.50 61.50 3ktl n PRO 207 Cb 0.54 -2.44 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 3ktl n PRO 207 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3ktl s MET 208 N -3.33 4.20 0.57 -0.52 1.75 -1.26 -5.00 119.30 115.71 3ktl s MET 208 Ca 0.80 1.31 -0.03 0.00 -1.25 0.00 0.00 55.69 56.52 3ktl s MET 208 Cb -0.38 -3.68 0.02 0.00 2.84 0.00 0.00 34.83 33.64 3ktl s MET 208 CO 0.43 -0.72 0.85 0.16 -0.65 0.00 0.00 175.02 175.09 3ktl s ASP 209 N 1.41 5.43 0.39 1.11 1.47 -1.26 -4.90 116.67 120.32 3ktl s ASP 209 Ca 0.46 0.44 0.15 0.00 1.18 0.00 0.00 52.55 54.77 3ktl s ASP 209 Cb -0.15 -1.40 0.99 0.00 -0.34 0.00 0.00 42.92 42.02 3ktl s ASP 209 CO 0.09 -1.10 1.82 -0.33 0.68 0.00 0.00 175.17 176.33 3ktl h GLU 210 N -0.09 0.49 -0.05 2.11 4.39 -1.99 0.81 114.58 120.26 3ktl h GLU 210 Ca -0.45 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.23 3ktl h GLU 210 Cb 1.27 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 3ktl h GLU 210 CO 0.58 0.33 0.01 -0.22 -1.16 0.00 0.00 179.01 178.55 3ktl h LYS 211 N 0.51 0.03 -0.50 2.33 3.64 -1.99 -1.40 116.57 119.18 3ktl h LYS 211 Ca 0.51 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.82 3ktl h LYS 211 Cb 1.14 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 3ktl h LYS 211 CO -0.24 0.02 0.03 1.03 -2.27 0.00 0.00 179.45 178.02 3ktl h SER 212 N 0.03 0.78 0.15 4.20 0.87 -1.30 -2.08 113.55 116.19 3ktl h SER 212 Ca 0.02 -0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 60.35 3ktl h SER 212 Cb 0.02 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 3ktl h SER 212 CO -0.03 0.83 -0.21 0.25 -0.53 0.00 0.00 176.83 177.14 3ktl h LEU 213 N 0.77 0.12 -0.06 2.23 5.85 -0.74 -0.66 115.31 122.81 3ktl h LEU 213 Ca 0.16 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3ktl h LEU 213 Cb 0.42 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 3ktl h LEU 213 CO 0.01 0.34 -0.09 -0.08 -0.34 0.00 0.00 178.44 178.28 3ktl h GLU 214 N 0.12 0.18 -1.00 1.25 4.57 -0.71 0.51 114.58 119.51 3ktl h GLU 214 Ca 0.02 -0.10 0.21 0.00 -1.18 0.00 0.00 59.36 58.31 3ktl h GLU 214 Cb 0.44 0.01 -0.11 0.00 -0.16 0.00 0.00 28.75 28.93 3ktl h GLU 214 CO 0.03 0.66 0.59 1.49 -1.18 0.00 0.00 179.01 180.60 3ktl h GLU 215 N -0.29 0.65 -0.37 1.92 4.81 -1.24 -1.06 114.58 118.99 3ktl h GLU 215 Ca 0.01 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 3ktl h GLU 215 Cb 0.64 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 3ktl h GLU 215 CO 0.02 0.43 0.12 0.00 -0.73 0.00 0.00 179.01 178.85 3ktl h ALA 216 N 1.68 0.49 -0.60 2.92 0.00 -0.46 -0.19 119.26 123.10 3ktl h ALA 216 Ca 0.60 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.41 3ktl h ALA 216 Cb 1.03 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 3ktl h ALA 216 CO -0.43 0.13 0.32 0.00 0.00 0.00 0.00 179.25 179.27 3ktl h ARG 217 N 0.46 0.57 -0.05 0.00 3.08 -0.21 -1.47 114.38 116.77 3ktl h ARG 217 Ca 0.12 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 3ktl h ARG 217 Cb 0.25 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 3ktl h ARG 217 CO -0.00 0.38 -0.08 0.87 -1.07 0.00 0.00 179.97 180.07 3ktl h LYS 218 N 0.59 0.14 0.17 0.04 1.57 -1.11 -1.74 116.57 116.24 3ktl h LYS 218 Ca 0.27 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3ktl h LYS 218 Cb 0.18 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3ktl h LYS 218 CO -0.18 0.65 -0.08 0.82 -0.57 0.00 0.00 179.45 180.08 3ktl h ILE 219 N -0.36 0.87 -0.22 1.86 2.04 -0.97 -3.17 117.51 117.55 3ktl h ILE 219 Ca 0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3ktl h ILE 219 Cb 0.64 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3ktl h ILE 219 CO 0.02 0.04 0.00 0.49 0.00 0.00 0.00 178.15 178.70 3ktl n PHE 220 N -5.15 0.28 -3.49 1.37 3.72 -0.56 -4.18 117.46 109.45 3ktl n PHE 220 Ca -0.09 -0.14 -0.21 0.00 -0.05 0.00 0.00 57.45 56.97 3ktl n PHE 220 Cb 0.15 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.72 3ktl n PHE 220 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3ktl n ARG 221 N 0.72 -1.42 0.00 -1.08 1.74 -0.72 -5.03 116.66 110.86 3ktl n ARG 221 Ca 0.17 0.82 0.00 0.00 -0.77 0.00 0.00 57.85 58.07 3ktl n ARG 221 Cb 0.43 -4.44 0.00 0.00 -1.02 0.00 0.00 32.46 27.42 3ktl n ARG 221 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08