#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kac s GLU 2 N 0.00 1.13 0.27 0.03 2.02 -1.26 -5.16 118.70 115.73 2kac s GLU 2 Ca 0.00 -0.86 0.08 0.00 0.02 0.00 0.00 54.97 54.21 2kac s GLU 2 Cb 0.00 -1.20 -0.05 0.00 0.10 0.00 0.00 34.13 32.98 2kac s GLU 2 CO 0.00 0.30 -0.12 -1.21 0.02 0.00 0.00 175.26 174.25 2kac s GLU 3 N -1.21 1.55 0.09 1.61 2.02 -1.26 -4.62 118.70 116.88 2kac s GLU 3 Ca 0.04 -1.75 -0.01 0.00 0.02 0.00 0.00 54.97 53.27 2kac s GLU 3 Cb -0.08 -1.35 -0.04 0.00 0.10 0.00 0.00 34.13 32.76 2kac s GLU 3 CO 0.02 0.16 0.02 0.14 0.02 0.00 0.00 175.26 175.61 2kac s VAL 4 N -2.84 0.16 -0.38 2.63 -7.23 -0.45 -4.97 120.40 107.32 2kac s VAL 4 Ca 0.28 -1.86 0.02 0.00 -1.81 0.00 0.00 61.98 58.61 2kac s VAL 4 Cb 0.00 -1.78 0.11 0.00 0.56 0.00 0.00 36.38 35.28 2kac s VAL 4 CO 0.12 -0.73 0.15 -0.89 -0.31 0.00 0.00 175.10 173.43 2kac s THR 5 N -3.98 1.54 -0.11 5.32 2.01 -1.26 -2.45 115.64 116.70 2kac s THR 5 Ca 0.16 -2.17 -0.16 0.00 0.31 0.00 0.00 61.69 59.83 2kac s THR 5 Cb 0.08 -2.12 -0.05 0.00 0.01 0.00 0.00 72.50 70.43 2kac s THR 5 CO -0.04 -0.74 0.41 -0.63 -0.69 0.00 0.00 174.62 172.93 2kac s ILE 6 N 0.87 5.20 -0.18 1.82 1.01 -1.10 -4.93 121.20 123.90 2kac s ILE 6 Ca 0.13 0.81 -0.08 0.00 0.00 0.00 0.00 60.65 61.51 2kac s ILE 6 Cb -0.21 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 2kac s ILE 6 CO -0.11 0.38 0.10 -0.75 0.00 0.00 0.00 174.94 174.57 2kac s LYS 7 N 0.32 3.99 -0.37 2.79 2.20 -0.21 -2.30 119.74 126.16 2kac s LYS 7 Ca 0.23 -0.26 -0.11 0.00 -0.36 0.00 0.00 55.97 55.47 2kac s LYS 7 Cb -0.15 -3.30 0.02 0.00 -1.51 0.00 0.00 37.83 32.90 2kac s LYS 7 CO 0.09 0.36 0.20 0.00 -0.36 0.00 0.00 175.35 175.63 2kac s ALA 8 N 0.16 3.26 -0.24 3.13 0.00 0.29 -1.23 121.76 127.13 2kac s ALA 8 Ca 0.07 -1.68 -0.12 0.00 0.00 0.00 0.00 51.96 50.23 2kac s ALA 8 Cb -0.12 -2.55 -0.05 0.00 0.00 0.00 0.00 23.12 20.41 2kac s ALA 8 CO -0.00 -1.33 0.23 -0.80 0.00 0.00 0.00 175.76 173.85 2kac s ASN 9 N 1.55 6.18 -0.04 0.00 0.01 -0.28 -0.95 114.94 121.41 2kac s ASN 9 Ca 0.02 0.19 0.04 0.00 -0.71 0.00 0.00 52.86 52.40 2kac s ASN 9 Cb -0.19 -2.14 -0.00 0.00 0.41 0.00 0.00 41.25 39.33 2kac s ASN 9 CO 0.06 0.01 -0.16 -0.76 -1.51 0.00 0.00 177.10 174.75 2kac s LEU 10 N 1.25 1.88 -0.04 0.60 1.02 -0.31 -0.77 118.68 122.32 2kac s LEU 10 Ca 0.10 -0.32 0.03 0.00 0.02 0.00 0.00 54.13 53.96 2kac s LEU 10 Cb -0.14 -0.89 0.01 0.00 0.02 0.00 0.00 46.19 45.18 2kac s LEU 10 CO 0.06 0.13 -0.11 -0.63 0.02 0.00 0.00 176.35 175.83 2kac s ILE 11 N 0.09 0.97 -0.00 -0.59 1.09 -1.23 -0.65 121.20 120.88 2kac s ILE 11 Ca -0.04 -0.44 0.04 0.00 -1.10 0.00 0.00 60.65 59.12 2kac s ILE 11 Cb -0.11 -0.87 -0.03 0.00 -1.06 0.00 0.00 42.46 40.39 2kac s ILE 11 CO 0.02 0.30 -0.11 -0.36 -0.10 0.00 0.00 174.94 174.69 2kac s PHE 12 N 0.35 2.76 -0.41 3.97 0.08 -0.60 -2.64 117.98 121.49 2kac s PHE 12 Ca -0.07 -0.12 0.20 0.00 0.12 0.00 0.00 56.93 57.06 2kac s PHE 12 Cb -0.11 -1.58 0.97 0.00 -0.57 0.00 0.00 43.02 41.72 2kac s PHE 12 CO 0.02 0.30 1.60 0.00 -0.10 0.00 0.00 175.22 177.04 2kac n ALA 13 N 1.77 1.27 0.30 5.36 0.00 -1.26 -1.91 120.51 126.04 2kac n ALA 13 Ca -0.16 0.13 0.19 0.00 0.00 0.00 0.00 53.44 53.60 2kac n ALA 13 Cb 0.52 -1.31 0.85 0.00 0.00 0.00 0.00 19.45 19.52 2kac n ALA 13 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2kac h ASN 14 N 0.00 0.00 0.00 0.00 -0.73 -2.00 -3.46 115.58 109.39 2kac h ASN 14 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2kac h ASN 14 Cb 0.13 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.72 2kac h ASN 14 CO 0.00 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.67 2kac n GLY 15 N -0.32 0.59 3.95 1.57 0.00 -0.80 -5.10 105.19 105.08 2kac n GLY 15 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 2kac n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kac s SER 16 N -2.01 6.34 0.23 1.61 0.01 -1.25 -4.99 113.70 113.64 2kac s SER 16 Ca 0.00 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.45 2kac s SER 16 Cb 0.00 -1.91 -0.04 0.00 0.21 0.00 0.00 66.02 64.27 2kac s SER 16 CO 0.00 -0.03 0.14 0.42 0.41 0.00 0.00 173.24 174.17 2kac s THR 17 N -1.89 0.16 0.22 1.44 -4.23 -1.26 -1.55 115.64 108.52 2kac s THR 17 Ca 0.35 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.68 2kac s THR 17 Cb -0.10 -2.53 0.02 0.00 1.34 0.00 0.00 72.50 71.23 2kac s THR 17 CO 0.29 0.00 0.56 -1.58 -0.54 0.00 0.00 174.62 173.35 2kac s GLN 18 N -4.05 1.48 -0.06 3.99 2.00 0.18 -4.98 119.66 118.21 2kac s GLN 18 Ca 0.39 -0.91 -0.09 0.00 -2.00 0.00 0.00 55.36 52.75 2kac s GLN 18 Cb 0.07 0.54 0.02 0.00 0.80 0.00 0.00 33.01 34.43 2kac s GLN 18 CO 0.14 -0.64 0.22 0.99 -0.50 0.00 0.00 175.29 175.50 2kac s THR 19 N -3.89 0.02 0.13 -0.34 2.01 -1.26 -1.16 115.64 111.15 2kac s THR 19 Ca 0.11 -0.17 -0.05 0.00 0.31 0.00 0.00 61.69 61.88 2kac s THR 19 Cb -0.02 -0.38 -0.02 0.00 0.01 0.00 0.00 72.50 72.09 2kac s THR 19 CO 0.00 -0.09 0.16 0.00 -0.69 0.00 0.00 174.62 174.00 2kac s ALA 20 N -0.30 0.31 -0.08 7.40 0.00 -0.13 -5.00 121.76 123.97 2kac s ALA 20 Ca -0.04 -1.08 -0.11 0.00 0.00 0.00 0.00 51.96 50.73 2kac s ALA 20 Cb -0.03 0.75 0.03 0.00 0.00 0.00 0.00 23.12 23.86 2kac s ALA 20 CO 0.01 -0.54 0.29 -1.83 0.00 0.00 0.00 175.76 173.68 2kac s GLU 21 N -3.97 0.43 0.08 0.00 -1.05 -1.26 -0.55 118.70 112.38 2kac s GLU 21 Ca 0.17 0.21 0.07 0.00 -0.15 0.00 0.00 54.97 55.27 2kac s GLU 21 Cb 0.05 0.20 -0.03 0.00 -0.44 0.00 0.00 34.13 33.91 2kac s GLU 21 CO -0.02 -0.08 -0.19 -0.06 0.95 0.00 0.00 175.26 175.86 2kac s PHE 22 N -0.31 1.64 -0.17 4.83 0.08 -0.97 -5.03 117.98 118.05 2kac s PHE 22 Ca -0.04 -0.41 -0.01 0.00 0.12 0.00 0.00 56.93 56.58 2kac s PHE 22 Cb -0.03 -0.92 0.05 0.00 -0.57 0.00 0.00 43.02 41.55 2kac s PHE 22 CO 0.01 0.15 -0.02 -1.21 -0.10 0.00 0.00 175.22 174.05 2kac s GLU 23 N -1.71 1.14 0.00 0.44 2.02 -1.26 -2.71 118.70 116.61 2kac s GLU 23 Ca 0.05 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 54.58 2kac s GLU 23 Cb -0.10 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.17 2kac s GLU 23 CO 0.03 -0.49 0.00 0.41 0.02 0.00 0.00 175.26 175.23 2kac n GLY 24 N 4.94 -0.65 3.70 -1.39 0.00 -1.03 -4.97 105.19 105.79 2kac n GLY 24 Ca -0.10 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 2kac n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kac s THR 25 N -3.00 2.70 -1.11 2.61 -4.23 -1.26 -1.34 115.64 110.00 2kac s THR 25 Ca 0.00 0.23 0.06 0.00 -1.18 0.00 0.00 61.69 60.80 2kac s THR 25 Cb 0.00 -2.58 0.06 0.00 1.34 0.00 0.00 72.50 71.32 2kac s THR 25 CO 0.00 -0.30 1.15 0.33 -0.54 0.00 0.00 174.62 175.26 2kac n PHE 26 N -3.93 0.00 -0.02 3.99 7.35 -1.26 -1.95 117.46 121.64 2kac n PHE 26 Ca 0.08 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.76 2kac n PHE 26 Cb 0.54 -0.44 -0.04 0.00 0.35 0.00 0.00 39.48 39.89 2kac n PHE 26 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2kac n GLU 27 N -1.44 2.45 0.14 -4.13 4.07 -1.26 -4.35 120.64 116.12 2kac n GLU 27 Ca 0.02 -0.01 0.05 0.00 -0.06 0.00 0.00 57.16 57.15 2kac n GLU 27 Cb 0.06 -1.12 0.04 0.00 -0.06 0.00 0.00 31.44 30.36 2kac n GLU 27 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 2kac h GLU 28 N 0.00 0.00 0.00 5.31 4.22 -1.82 -2.81 114.58 119.48 2kac h GLU 28 Ca -0.10 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.34 2kac h GLU 28 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2kac h GLU 28 CO 0.01 0.35 -0.54 0.00 -2.18 0.00 0.00 179.01 176.64 2kac h ALA 29 N 1.62 0.71 0.10 2.92 0.00 -1.66 -3.00 119.26 119.95 2kac h ALA 29 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 2kac h ALA 29 Cb 1.30 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.12 2kac h ALA 29 CO 0.05 0.00 -1.03 1.15 0.00 0.00 0.00 179.25 179.41 2kac h THR 30 N 0.00 1.35 0.00 0.00 2.02 -1.72 -0.97 112.91 113.59 2kac h THR 30 Ca 0.00 -2.39 -0.06 0.00 0.77 0.00 0.00 66.41 64.73 2kac h THR 30 Cb 0.92 2.76 -0.01 0.00 -1.74 0.00 0.00 68.15 70.09 2kac h THR 30 CO 0.00 0.71 -0.27 -1.28 0.37 0.00 0.00 175.52 175.05 2kac h SER 31 N 0.08 0.00 0.00 4.18 0.87 -1.51 -2.24 113.55 114.93 2kac h SER 31 Ca -0.16 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.30 2kac h SER 31 Cb 1.74 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.71 2kac h SER 31 CO 0.20 0.27 -0.42 -0.33 -0.53 0.00 0.00 176.83 176.02 2kac h GLU 32 N 0.00 0.28 -0.89 2.24 4.39 -1.50 -0.16 114.58 118.94 2kac h GLU 32 Ca -0.00 -0.30 0.13 0.00 0.34 0.00 0.00 59.36 59.52 2kac h GLU 32 Cb 0.68 0.09 -0.09 0.00 -0.10 0.00 0.00 28.75 29.33 2kac h GLU 32 CO 0.04 1.01 0.51 0.00 -1.16 0.00 0.00 179.01 179.40 2kac h ALA 33 N 0.28 1.33 0.02 3.43 0.00 -0.91 -0.26 119.26 123.14 2kac h ALA 33 Ca -0.05 0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 2kac h ALA 33 Cb 1.16 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2kac h ALA 33 CO 0.08 0.04 -1.40 1.88 0.00 0.00 0.00 179.25 179.85 2kac h TYR 34 N 0.77 0.09 -0.01 0.00 0.05 -1.42 -3.34 116.97 113.11 2kac h TYR 34 Ca 0.46 -0.07 -0.05 0.00 0.05 0.00 0.00 58.73 59.12 2kac h TYR 34 Cb 0.55 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 2kac h TYR 34 CO -0.06 1.08 -0.24 0.00 -1.05 0.00 0.00 178.16 177.89 2kac h ALA 35 N 0.89 1.58 -0.28 3.88 0.00 -0.13 0.51 119.26 125.71 2kac h ALA 35 Ca -0.17 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 2kac h ALA 35 Cb 1.92 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 2kac h ALA 35 CO 0.11 0.32 -0.32 -0.92 0.00 0.00 0.00 179.25 178.44 2kac h TYR 36 N 0.02 0.69 -0.05 0.00 3.20 -1.20 -1.25 116.97 118.39 2kac h TYR 36 Ca 0.00 -0.18 -0.17 0.00 3.14 0.00 0.00 58.73 61.53 2kac h TYR 36 Cb 0.44 -0.16 0.01 0.00 1.54 0.00 0.00 36.73 38.57 2kac h TYR 36 CO 0.00 0.85 -0.63 0.00 -1.64 0.00 0.00 178.16 176.73 2kac h ALA 37 N 1.14 0.14 -0.78 1.82 0.00 -1.39 -3.30 119.26 116.89 2kac h ALA 37 Ca 0.06 -0.57 0.06 0.00 0.00 0.00 0.00 54.91 54.46 2kac h ALA 37 Cb 0.81 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 2kac h ALA 37 CO 0.07 0.42 0.51 -0.44 0.00 0.00 0.00 179.25 179.81 2kac h ASP 38 N 0.08 0.76 0.10 0.00 3.32 -0.83 -0.94 116.42 118.90 2kac h ASP 38 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2kac h ASP 38 Cb 1.31 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2kac h ASP 38 CO 0.13 0.50 0.00 1.07 -1.72 0.00 0.00 179.24 179.22 2kac n THR 39 N -4.47 0.06 -0.32 0.35 5.66 -0.48 -2.66 114.28 112.41 2kac n THR 39 Ca 0.11 0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 2kac n THR 39 Cb 0.19 -0.63 0.00 0.00 -1.55 0.00 0.00 70.33 68.34 2kac n THR 39 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2kac n LEU 40 N -1.06 0.61 0.18 1.09 4.77 -0.51 -4.82 117.00 117.26 2kac n LEU 40 Ca 0.17 -0.63 -0.14 0.00 -0.03 0.00 0.00 56.01 55.37 2kac n LEU 40 Cb 0.11 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 2kac n LEU 40 CO 0.15 0.15 0.74 -0.08 -1.33 0.00 0.00 177.39 177.02 2kac h GLU 41 N 0.00 -0.38 -0.74 3.23 4.22 -0.99 -2.98 114.58 116.94 2kac h GLU 41 Ca 0.00 0.03 0.16 0.00 0.08 0.00 0.00 59.36 59.63 2kac h GLU 41 Cb 0.16 0.09 -0.11 0.00 0.50 0.00 0.00 28.75 29.39 2kac h GLU 41 CO 0.00 -0.21 0.17 1.49 -2.18 0.00 0.00 179.01 178.28 2kac h GLU 42 N -0.45 0.25 0.00 1.92 4.57 -1.84 0.28 114.58 119.31 2kac h GLU 42 Ca -0.04 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2kac h GLU 42 Cb 0.34 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 2kac h GLU 42 CO 0.07 0.17 0.00 -0.44 -1.18 0.00 0.00 179.01 177.62 2kac h ASP 43 N 0.26 0.00 0.00 1.04 5.19 -1.90 -3.40 116.42 117.62 2kac h ASP 43 Ca 0.41 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.81 2kac h ASP 43 Cb 0.71 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.22 2kac h ASP 43 CO -0.52 0.00 -0.33 0.59 -3.12 0.00 0.00 179.24 175.86 2kac n ASN 44 N -2.71 1.00 0.00 6.45 3.02 -0.36 -5.16 115.26 117.50 2kac n ASN 44 Ca 0.03 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 2kac n ASN 44 Cb 0.37 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 2kac n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kac n GLY 45 N 3.18 0.91 3.48 7.41 0.00 0.83 -4.52 105.19 116.48 2kac n GLY 45 Ca -0.02 -1.88 -0.28 0.00 0.00 0.00 0.00 46.02 43.84 2kac n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kac s GLU 46 N -2.00 -1.08 0.11 1.61 -1.05 -1.26 -4.60 118.70 110.43 2kac s GLU 46 Ca 0.00 0.75 -0.11 0.00 -0.15 0.00 0.00 54.97 55.45 2kac s GLU 46 Cb 0.00 -1.54 0.01 0.00 -0.44 0.00 0.00 34.13 32.16 2kac s GLU 46 CO 0.00 -3.81 0.28 1.67 0.95 0.00 0.00 175.26 174.36 2kac s TRP 47 N -2.48 0.06 0.29 4.83 1.48 -1.26 -1.20 118.94 120.65 2kac s TRP 47 Ca 0.68 -0.44 0.12 0.00 -1.06 0.00 0.00 56.10 55.40 2kac s TRP 47 Cb -0.24 0.06 -0.05 0.00 -1.16 0.00 0.00 33.47 32.08 2kac s TRP 47 CO 0.64 -0.63 -0.17 0.95 -4.06 0.00 0.00 176.95 173.68 2kac s THR 48 N -3.86 2.54 -0.02 0.66 -4.23 -0.01 -4.93 115.64 105.80 2kac s THR 48 Ca 0.06 -2.34 0.00 0.00 -1.18 0.00 0.00 61.69 58.22 2kac s THR 48 Cb 0.03 -2.38 0.02 0.00 1.34 0.00 0.00 72.50 71.52 2kac s THR 48 CO -0.10 -0.38 0.02 -0.69 -0.54 0.00 0.00 174.62 172.94 2kac s VAL 49 N -2.50 -0.02 -0.18 2.29 1.01 -1.26 -1.09 120.40 118.64 2kac s VAL 49 Ca 0.30 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.44 2kac s VAL 49 Cb -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 36.38 36.24 2kac s VAL 49 CO 0.16 0.08 -0.10 -1.81 0.00 0.00 0.00 175.10 173.43 2kac s ASP 50 N 0.89 3.98 0.04 3.32 1.01 0.02 -4.99 116.67 120.95 2kac s ASP 50 Ca -0.08 -0.42 -0.30 0.00 0.71 0.00 0.00 52.55 52.47 2kac s ASP 50 Cb -0.11 -1.65 -0.04 0.00 1.01 0.00 0.00 42.92 42.13 2kac s ASP 50 CO -0.02 0.04 0.97 -0.69 0.21 0.00 0.00 175.17 175.68 2kac s VAL 51 N 1.07 4.74 0.16 -1.27 1.01 -1.26 -2.40 120.40 122.45 2kac s VAL 51 Ca 0.00 2.05 -0.04 0.00 0.00 0.00 0.00 61.98 63.99 2kac s VAL 51 Cb -0.15 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 2kac s VAL 51 CO -0.02 0.22 0.17 0.00 0.00 0.00 0.00 175.10 175.47 2kac s ALA 52 N 0.63 0.57 -1.42 5.51 0.00 -1.11 -4.96 121.76 120.97 2kac s ALA 52 Ca 0.50 -1.28 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 2kac s ALA 52 Cb -0.22 0.97 0.00 0.00 0.00 0.00 0.00 23.12 23.87 2kac s ALA 52 CO 0.28 -0.58 0.34 -0.25 0.00 0.00 0.00 175.76 175.56 2kac n ASP 53 N -0.18 -0.33 0.00 0.00 8.00 -1.26 -1.45 116.55 121.33 2kac n ASP 53 Ca -0.04 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.38 2kac n ASP 53 Cb 0.64 -2.69 0.00 0.00 -0.02 0.00 0.00 41.12 39.05 2kac n ASP 53 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kac n GLU 54 N -4.45 0.00 0.00 -1.24 -0.58 -1.26 -1.41 120.64 111.70 2kac n GLU 54 Ca -0.30 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.44 2kac n GLU 54 Cb 0.68 -3.98 0.00 0.00 -0.57 0.00 0.00 31.44 27.57 2kac n GLU 54 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kac n GLY 55 N -2.00 0.69 0.00 0.62 0.00 -0.53 -5.04 105.19 98.94 2kac n GLY 55 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2kac n GLY 55 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2kac n TYR 56 N 0.00 0.00 -3.68 1.61 4.01 -0.50 -4.41 117.16 114.18 2kac n TYR 56 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 2kac n TYR 56 Cb 0.00 -0.40 -0.14 0.00 -0.31 0.00 0.00 39.34 38.50 2kac n TYR 56 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2kac s THR 57 N -2.79 0.94 -0.43 -0.72 2.01 -1.12 -1.05 115.64 112.48 2kac s THR 57 Ca 0.18 -1.83 -0.20 0.00 0.31 0.00 0.00 61.69 60.15 2kac s THR 57 Cb 0.17 -1.69 0.02 0.00 0.01 0.00 0.00 72.50 71.02 2kac s THR 57 CO 0.43 -0.80 0.58 -0.76 -0.69 0.00 0.00 174.62 173.38 2kac s LEU 58 N 1.11 4.59 -0.50 4.42 1.43 -0.36 -2.77 118.68 126.60 2kac s LEU 58 Ca 0.14 -0.41 -0.18 0.00 -1.03 0.00 0.00 54.13 52.65 2kac s LEU 58 Cb -0.21 -2.62 0.07 0.00 0.03 0.00 0.00 46.19 43.46 2kac s LEU 58 CO -0.13 -0.70 0.54 0.20 0.23 0.00 0.00 176.35 176.48 2kac s ASN 59 N 1.93 6.19 -0.02 2.29 0.01 -1.01 -1.12 114.94 123.21 2kac s ASN 59 Ca 0.19 -1.17 -0.12 0.00 -0.71 0.00 0.00 52.86 51.06 2kac s ASN 59 Cb -0.15 -2.25 -0.05 0.00 0.41 0.00 0.00 41.25 39.21 2kac s ASN 59 CO 0.17 -0.81 0.34 -0.63 -1.51 0.00 0.00 177.10 174.66 2kac s ILE 60 N 2.19 5.16 -0.17 0.60 1.01 0.05 -0.80 121.20 129.25 2kac s ILE 60 Ca 0.10 0.62 -0.02 0.00 0.00 0.00 0.00 60.65 61.35 2kac s ILE 60 Cb -0.22 -3.63 0.05 0.00 0.01 0.00 0.00 42.46 38.67 2kac s ILE 60 CO 0.09 0.55 0.00 -0.70 0.00 0.00 0.00 174.94 174.88 2kac s GLU 61 N -1.19 0.92 0.67 2.79 2.12 -0.25 -3.53 118.70 120.23 2kac s GLU 61 Ca 0.23 -0.39 -0.15 0.00 0.36 0.00 0.00 54.97 55.02 2kac s GLU 61 Cb -0.15 -1.92 0.01 0.00 0.26 0.00 0.00 34.13 32.33 2kac s GLU 61 CO 0.12 -0.52 1.12 -0.06 -0.54 0.00 0.00 175.26 175.38 2kac s PHE 62 N 1.79 2.53 -0.02 5.30 0.08 -1.08 -0.83 117.98 125.76 2kac s PHE 62 Ca 0.00 1.56 -0.14 0.00 0.12 0.00 0.00 56.93 58.47 2kac s PHE 62 Cb -0.16 -3.21 -0.33 0.00 -0.57 0.00 0.00 43.02 38.76 2kac s PHE 62 CO -0.07 -1.82 0.82 0.00 -0.10 0.00 0.00 175.22 174.04 2kac h ALA 63 N -0.06 -0.00 0.00 5.36 0.00 -1.46 -3.44 119.26 119.66 2kac h ALA 63 Ca -0.47 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 53.46 2kac h ALA 63 Cb 1.25 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2kac h ALA 63 CO 0.53 0.82 0.00 0.41 0.00 0.00 0.00 179.25 181.01