#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kac n GLU 2 N 0.00 -0.19 -0.98 2.12 0.28 -1.26 -4.99 120.64 115.63 2kac n GLU 2 Ca 0.00 -0.01 -0.28 0.00 -0.16 0.00 0.00 57.16 56.70 2kac n GLU 2 Cb 0.00 -1.87 0.21 0.00 1.43 0.00 0.00 31.44 31.21 2kac n GLU 2 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2kac s GLU 3 N -3.52 -0.14 0.10 3.44 0.41 -1.26 -4.93 118.70 112.79 2kac s GLU 3 Ca 0.58 0.55 0.03 0.00 -0.41 0.00 0.00 54.97 55.73 2kac s GLU 3 Cb -0.23 -1.67 -0.04 0.00 -1.78 0.00 0.00 34.13 30.41 2kac s GLU 3 CO 0.66 -3.13 -0.09 0.14 -0.49 0.00 0.00 175.26 172.35 2kac s VAL 4 N -2.82 0.87 -0.37 2.63 -7.23 -0.39 -4.96 120.40 108.13 2kac s VAL 4 Ca 0.67 -1.70 -0.02 0.00 -1.81 0.00 0.00 61.98 59.12 2kac s VAL 4 Cb -0.20 -1.41 0.09 0.00 0.56 0.00 0.00 36.38 35.42 2kac s VAL 4 CO 0.60 -0.63 0.13 -0.89 -0.31 0.00 0.00 175.10 174.00 2kac s THR 5 N -2.69 3.08 -0.20 5.32 2.01 -1.26 -2.37 115.64 119.52 2kac s THR 5 Ca 0.07 -1.91 -0.08 0.00 0.31 0.00 0.00 61.69 60.07 2kac s THR 5 Cb -0.01 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 2kac s THR 5 CO -0.01 -0.52 0.08 -0.63 -0.69 0.00 0.00 174.62 172.84 2kac s ILE 6 N 1.14 4.76 -0.17 1.82 1.01 -0.34 -4.91 121.20 124.50 2kac s ILE 6 Ca 0.05 -0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.55 2kac s ILE 6 Cb -0.21 -3.17 -0.05 0.00 0.01 0.00 0.00 42.46 39.04 2kac s ILE 6 CO -0.04 0.42 0.19 -0.75 0.00 0.00 0.00 174.94 174.76 2kac s LYS 7 N 0.72 4.10 -0.29 2.79 2.20 -0.47 -1.56 119.74 127.23 2kac s LYS 7 Ca 0.04 -0.08 -0.01 0.00 -0.36 0.00 0.00 55.97 55.55 2kac s LYS 7 Cb -0.13 -3.38 0.05 0.00 -1.51 0.00 0.00 37.83 32.85 2kac s LYS 7 CO 0.02 0.36 -0.02 0.00 -0.36 0.00 0.00 175.35 175.35 2kac s ALA 8 N 0.16 2.77 -0.10 3.13 0.00 0.09 -1.02 121.76 126.79 2kac s ALA 8 Ca 0.12 -1.70 -0.17 0.00 0.00 0.00 0.00 51.96 50.21 2kac s ALA 8 Cb -0.12 -1.86 -0.05 0.00 0.00 0.00 0.00 23.12 21.10 2kac s ALA 8 CO 0.01 -1.18 0.44 -0.80 0.00 0.00 0.00 175.76 174.23 2kac s ASN 9 N 1.25 6.68 -0.03 0.00 0.01 0.22 -2.48 114.94 120.59 2kac s ASN 9 Ca -0.05 0.81 0.04 0.00 -0.71 0.00 0.00 52.86 52.95 2kac s ASN 9 Cb -0.19 -2.27 -0.00 0.00 0.41 0.00 0.00 41.25 39.20 2kac s ASN 9 CO -0.02 0.08 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.75 2kac s LEU 10 N 0.23 1.89 -0.10 0.60 1.02 -1.05 -0.71 118.68 120.56 2kac s LEU 10 Ca 0.24 -0.30 0.02 0.00 0.02 0.00 0.00 54.13 54.11 2kac s LEU 10 Cb -0.15 -0.84 0.02 0.00 0.02 0.00 0.00 46.19 45.24 2kac s LEU 10 CO 0.10 0.13 -0.13 -0.63 0.02 0.00 0.00 176.35 175.85 2kac s ILE 11 N 0.04 1.30 -0.08 -0.59 1.09 -1.14 -0.80 121.20 121.02 2kac s ILE 11 Ca -0.02 -0.53 -0.06 0.00 -1.10 0.00 0.00 60.65 58.93 2kac s ILE 11 Cb -0.10 -1.21 -0.04 0.00 -1.06 0.00 0.00 42.46 40.05 2kac s ILE 11 CO 0.01 0.40 0.17 -0.36 -0.10 0.00 0.00 174.94 175.06 2kac s PHE 12 N 1.01 3.59 0.28 3.97 0.08 0.04 -1.50 117.98 125.45 2kac s PHE 12 Ca -0.07 0.51 0.37 0.00 0.12 0.00 0.00 56.93 57.86 2kac s PHE 12 Cb -0.15 -1.93 1.75 0.00 -0.57 0.00 0.00 43.02 42.12 2kac s PHE 12 CO -0.01 0.71 2.11 0.00 -0.10 0.00 0.00 175.22 177.93 2kac h ALA 13 N 4.65 1.00 0.00 5.36 0.00 -1.84 -2.47 119.26 125.96 2kac h ALA 13 Ca -0.53 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 2kac h ALA 13 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2kac h ALA 13 CO 0.61 0.00 -0.00 -0.91 0.00 0.00 0.00 179.25 178.95 2kac h ASN 14 N 0.00 0.00 0.00 0.00 2.35 -1.96 -3.46 115.58 112.52 2kac h ASN 14 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2kac h ASN 14 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2kac h ASN 14 CO 0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 2kac n GLY 15 N -1.22 0.71 3.42 2.83 0.00 -0.93 -5.14 105.19 104.86 2kac n GLY 15 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 2kac n GLY 15 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kac s SER 16 N -1.12 -0.51 0.35 1.61 0.15 -1.22 -5.05 113.70 107.90 2kac s SER 16 Ca 0.00 0.10 0.03 0.00 0.70 0.00 0.00 55.95 56.78 2kac s SER 16 Cb 0.00 0.55 -0.05 0.00 -1.71 0.00 0.00 66.02 64.82 2kac s SER 16 CO 0.00 -0.85 0.10 0.42 1.20 0.00 0.00 173.24 174.10 2kac s THR 17 N -3.12 0.83 0.03 6.45 -4.23 -1.26 -0.78 115.64 113.56 2kac s THR 17 Ca -0.02 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.48 2kac s THR 17 Cb -0.00 -2.59 -0.02 0.00 1.34 0.00 0.00 72.50 71.23 2kac s THR 17 CO -0.07 0.00 -0.01 -1.58 -0.54 0.00 0.00 174.62 172.42 2kac s GLN 18 N -3.84 0.45 -0.11 3.99 2.00 0.02 -4.96 119.66 117.21 2kac s GLN 18 Ca 0.32 -0.81 0.04 0.00 -2.00 0.00 0.00 55.36 52.90 2kac s GLN 18 Cb 0.06 0.16 0.00 0.00 0.80 0.00 0.00 33.01 34.03 2kac s GLN 18 CO 0.15 -0.08 -0.23 0.99 -0.50 0.00 0.00 175.29 175.61 2kac s THR 19 N -2.38 2.12 -0.08 -0.34 2.01 -1.26 -2.54 115.64 113.17 2kac s THR 19 Ca -0.07 -0.99 -0.10 0.00 0.31 0.00 0.00 61.69 60.84 2kac s THR 19 Cb -0.03 -1.82 0.02 0.00 0.01 0.00 0.00 72.50 70.69 2kac s THR 19 CO -0.04 0.56 0.26 0.00 -0.69 0.00 0.00 174.62 174.71 2kac s ALA 20 N 0.40 -0.65 -0.03 7.40 0.00 -1.03 -5.05 121.76 122.79 2kac s ALA 20 Ca -0.17 0.64 -0.02 0.00 0.00 0.00 0.00 51.96 52.40 2kac s ALA 20 Cb -0.18 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.62 2kac s ALA 20 CO 0.08 -0.15 0.08 -1.83 0.00 0.00 0.00 175.76 173.93 2kac s GLU 21 N -0.15 0.08 0.07 0.00 -1.05 -1.26 -0.73 118.70 115.66 2kac s GLU 21 Ca -0.03 0.13 0.07 0.00 -0.15 0.00 0.00 54.97 54.99 2kac s GLU 21 Cb -0.03 0.01 -0.03 0.00 -0.44 0.00 0.00 34.13 33.64 2kac s GLU 21 CO 0.01 -0.03 -0.18 -0.06 0.95 0.00 0.00 175.26 175.95 2kac s PHE 22 N 0.19 1.55 0.11 4.83 0.08 -0.60 -5.00 117.98 119.14 2kac s PHE 22 Ca -0.01 -0.41 0.09 0.00 0.12 0.00 0.00 56.93 56.72 2kac s PHE 22 Cb -0.02 -0.88 -0.04 0.00 -0.57 0.00 0.00 43.02 41.51 2kac s PHE 22 CO -0.01 0.12 -0.23 -1.21 -0.10 0.00 0.00 175.22 173.79 2kac s GLU 23 N -1.62 1.27 0.00 0.44 2.02 -1.26 -1.20 118.70 118.34 2kac s GLU 23 Ca 0.04 -1.21 0.00 0.00 0.02 0.00 0.00 54.97 53.81 2kac s GLU 23 Cb -0.09 -1.61 0.00 0.00 0.10 0.00 0.00 34.13 32.52 2kac s GLU 23 CO 0.03 0.38 0.00 0.41 0.02 0.00 0.00 175.26 176.10 2kac n GLY 24 N 1.10 0.46 3.71 -1.39 0.00 -1.00 -4.63 105.19 103.45 2kac n GLY 24 Ca -0.19 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.93 2.56 0.59 2.61 -4.23 -1.26 -1.26 115.64 111.71 2kac s THR 25 Ca 0.00 0.18 0.42 0.00 -1.18 0.00 0.00 61.69 61.11 2kac s THR 25 Cb 0.00 -2.68 0.43 0.00 1.34 0.00 0.00 72.50 71.59 2kac s THR 25 CO 0.00 -0.24 2.31 0.15 -0.54 0.00 0.00 174.62 176.31 2kac h PHE 26 N -1.59 0.00 0.00 3.99 3.04 -1.93 0.17 116.94 120.63 2kac h PHE 26 Ca -0.50 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.45 2kac h PHE 26 Cb 1.29 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.80 2kac h PHE 26 CO 0.40 0.00 -0.85 0.39 -2.02 0.00 0.00 178.31 176.24 2kac n GLU 27 N -3.14 0.12 -0.01 1.11 1.02 -1.26 -4.32 120.64 114.15 2kac n GLU 27 Ca -0.03 -0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.12 2kac n GLU 27 Cb 0.10 -1.54 -0.05 0.00 -0.02 0.00 0.00 31.44 29.94 2kac n GLU 27 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2kac n GLU 28 N -1.68 1.12 0.00 3.49 2.13 -0.27 -4.03 120.64 121.40 2kac n GLU 28 Ca 0.04 -0.04 0.14 0.00 0.66 0.00 0.00 57.16 57.95 2kac n GLU 28 Cb 0.37 -1.16 0.59 0.00 0.27 0.00 0.00 31.44 31.51 2kac n GLU 28 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kac n ALA 29 N -1.90 2.56 -0.11 4.31 0.00 -0.11 -2.87 120.51 122.38 2kac n ALA 29 Ca -0.04 -0.16 -0.17 0.00 0.00 0.00 0.00 53.44 53.07 2kac n ALA 29 Cb 0.35 -1.41 -0.10 0.00 0.00 0.00 0.00 19.45 18.29 2kac n ALA 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2kac n THR 30 N -1.43 1.26 0.23 0.00 -1.04 -1.26 -4.32 114.28 107.73 2kac n THR 30 Ca 0.08 -0.46 0.10 0.00 -2.04 0.00 0.00 64.05 61.74 2kac n THR 30 Cb 0.32 -1.36 0.56 0.00 -1.82 0.00 0.00 70.33 68.03 2kac n THR 30 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 2kac h SER 31 N -0.13 0.00 -0.34 8.00 0.87 -1.69 -1.93 113.55 118.33 2kac h SER 31 Ca -0.51 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 59.94 2kac h SER 31 Cb 1.72 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.67 2kac h SER 31 CO -0.12 0.21 -0.21 -0.33 -0.53 0.00 0.00 176.83 175.85 2kac h GLU 32 N 0.00 0.82 -0.43 2.24 4.39 -1.75 0.07 114.58 119.92 2kac h GLU 32 Ca -0.00 -0.33 -0.06 0.00 0.34 0.00 0.00 59.36 59.31 2kac h GLU 32 Cb 0.58 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 2kac h GLU 32 CO 0.03 0.96 0.04 0.00 -1.16 0.00 0.00 179.01 178.87 2kac h ALA 33 N 1.04 0.57 0.00 3.43 0.00 -1.55 0.39 119.26 123.14 2kac h ALA 33 Ca 0.10 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 2kac h ALA 33 Cb 0.73 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2kac h ALA 33 CO 0.06 0.32 -0.61 1.88 0.00 0.00 0.00 179.25 180.90 2kac h TYR 34 N 0.58 0.00 -0.05 0.00 0.05 -1.18 -0.65 116.97 115.71 2kac h TYR 34 Ca 0.13 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.78 2kac h TYR 34 Cb 0.43 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 2kac h TYR 34 CO 0.03 0.61 -0.53 0.00 -1.05 0.00 0.00 178.16 177.22 2kac h ALA 35 N 1.39 1.02 0.00 3.88 0.00 -0.71 -0.62 119.26 124.21 2kac h ALA 35 Ca -0.01 -0.49 -0.19 0.00 0.00 0.00 0.00 54.91 54.23 2kac h ALA 35 Cb 1.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2kac h ALA 35 CO 0.08 0.67 -0.85 -0.92 0.00 0.00 0.00 179.25 178.24 2kac h TYR 36 N 0.11 0.20 -0.01 0.00 3.20 -0.49 -2.90 116.97 117.08 2kac h TYR 36 Ca 0.00 -0.11 -0.16 0.00 3.14 0.00 0.00 58.73 61.60 2kac h TYR 36 Cb 0.98 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 2kac h TYR 36 CO 0.01 0.91 -0.73 0.00 -1.64 0.00 0.00 178.16 176.71 2kac h ALA 37 N 1.05 0.75 -0.29 1.82 0.00 -0.71 -3.27 119.26 118.61 2kac h ALA 37 Ca -0.03 -0.65 -0.16 0.00 0.00 0.00 0.00 54.91 54.07 2kac h ALA 37 Cb 1.47 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 2kac h ALA 37 CO 0.12 0.87 -0.48 0.22 0.00 0.00 0.00 179.25 179.99 2kac h ASP 38 N 0.06 0.83 0.74 0.00 1.82 -1.08 -2.18 116.42 116.61 2kac h ASP 38 Ca -0.02 -0.41 -0.04 0.00 -0.39 0.00 0.00 57.03 56.17 2kac h ASP 38 Cb 1.29 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 41.06 2kac h ASP 38 CO 0.10 1.17 -0.17 0.00 -1.61 0.00 0.00 179.24 178.73 2kac h THR 39 N 0.61 0.51 -0.01 2.25 1.03 -1.58 -2.16 112.91 113.55 2kac h THR 39 Ca 0.03 -0.88 0.00 0.00 -0.01 0.00 0.00 66.41 65.55 2kac h THR 39 Cb 1.05 1.60 0.00 0.00 -1.07 0.00 0.00 68.15 69.73 2kac h THR 39 CO 0.10 0.17 -0.51 0.18 -0.01 0.00 0.00 175.52 175.46 2kac n LEU 40 N -3.43 1.38 0.08 0.00 4.77 -1.14 -4.33 117.00 114.32 2kac n LEU 40 Ca -0.00 -0.48 -0.12 0.00 -0.03 0.00 0.00 56.01 55.37 2kac n LEU 40 Cb 0.36 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.30 2kac n LEU 40 CO 0.32 0.27 0.52 -0.08 -1.33 0.00 0.00 177.39 177.08 2kac h GLU 41 N 1.36 -0.24 0.00 3.23 4.22 -0.72 -2.44 114.58 120.00 2kac h GLU 41 Ca 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.45 2kac h GLU 41 Cb 0.61 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2kac h GLU 41 CO 0.00 0.16 -0.03 0.93 -2.18 0.00 0.00 179.01 177.89 2kac h GLU 42 N -0.73 0.00 0.00 1.92 5.08 -1.77 -1.19 114.58 117.90 2kac h GLU 42 Ca -0.03 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2kac h GLU 42 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2kac h GLU 42 CO 0.04 0.03 -0.90 -0.44 -1.00 0.00 0.00 179.01 176.74 2kac h ASP 43 N 0.00 0.00 0.00 1.42 3.32 -1.74 -3.45 116.42 115.97 2kac h ASP 43 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kac h ASP 43 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2kac h ASP 43 CO 0.00 0.19 0.00 0.59 -1.72 0.00 0.00 179.24 178.30 2kac n ASN 44 N -2.85 0.00 0.00 6.45 3.02 -0.73 -5.10 115.26 116.05 2kac n ASN 44 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 2kac n ASN 44 Cb 0.63 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 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 2.31 -1.53 3.63 7.41 0.00 -0.53 -4.87 105.19 111.61 2kac n GLY 45 Ca 0.00 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.46 0.52 0.24 1.61 -1.05 -1.26 -4.52 118.70 112.77 2kac s GLU 46 Ca 0.00 1.27 -0.11 0.00 -0.15 0.00 0.00 54.97 55.98 2kac s GLU 46 Cb 0.00 -1.69 -0.01 0.00 -0.44 0.00 0.00 34.13 31.99 2kac s GLU 46 CO 0.00 -2.89 0.44 1.67 0.95 0.00 0.00 175.26 175.43 2kac s TRP 47 N -2.62 0.47 0.15 4.83 1.48 -1.26 -0.63 118.94 121.35 2kac s TRP 47 Ca 0.67 -0.81 0.02 0.00 -1.06 0.00 0.00 56.10 54.91 2kac s TRP 47 Cb -0.23 0.10 -0.04 0.00 -1.16 0.00 0.00 33.47 32.13 2kac s TRP 47 CO 0.60 -0.95 -0.01 0.95 -4.06 0.00 0.00 176.95 173.47 2kac s THR 48 N -4.03 0.64 -0.02 0.66 -4.23 -0.42 -4.94 115.64 103.30 2kac s THR 48 Ca 0.25 -1.96 -0.07 0.00 -1.18 0.00 0.00 61.69 58.72 2kac s THR 48 Cb 0.00 -2.01 0.01 0.00 1.34 0.00 0.00 72.50 71.84 2kac s THR 48 CO 0.10 -0.57 0.16 0.54 -0.54 0.00 0.00 174.62 174.31 2kac s VAL 49 N -3.68 0.05 -0.19 2.29 0.11 -1.26 -1.22 120.40 116.51 2kac s VAL 49 Ca 0.21 -0.42 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 2kac s VAL 49 Cb 0.06 -0.38 0.04 0.00 -1.53 0.00 0.00 36.38 34.58 2kac s VAL 49 CO 0.02 -0.23 -0.07 -1.81 -3.33 0.00 0.00 175.10 169.67 2kac s ASP 50 N -0.83 3.18 0.08 3.54 1.01 -0.17 -4.96 116.67 118.51 2kac s ASP 50 Ca -0.09 -0.81 -0.29 0.00 0.71 0.00 0.00 52.55 52.07 2kac s ASP 50 Cb -0.05 -1.08 -0.05 0.00 1.01 0.00 0.00 42.92 42.75 2kac s ASP 50 CO 0.01 -0.17 0.92 -0.69 0.21 0.00 0.00 175.17 175.45 2kac s VAL 51 N 1.51 4.61 0.34 -1.27 1.01 -1.26 -1.04 120.40 124.29 2kac s VAL 51 Ca -0.01 1.97 0.03 0.00 0.00 0.00 0.00 61.98 63.98 2kac s VAL 51 Cb -0.16 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 2kac s VAL 51 CO -0.08 0.30 0.36 0.00 0.00 0.00 0.00 175.10 175.68 2kac s ALA 52 N 0.16 1.41 -1.05 5.51 0.00 -0.32 -4.95 121.76 122.52 2kac s ALA 52 Ca 0.46 -1.85 -0.18 0.00 0.00 0.00 0.00 51.96 50.40 2kac s ALA 52 Cb -0.22 1.34 0.01 0.00 0.00 0.00 0.00 23.12 24.25 2kac s ALA 52 CO 0.28 -0.72 0.73 -3.47 0.00 0.00 0.00 175.76 172.58 2kac n ASP 53 N -1.49 -5.26 0.00 0.00 2.03 -1.26 -1.56 116.55 109.00 2kac n ASP 53 Ca 0.05 -0.97 0.00 0.00 0.52 0.00 0.00 54.79 54.39 2kac n ASP 53 Cb 0.62 -2.88 0.00 0.00 -0.72 0.00 0.00 41.12 38.14 2kac n ASP 53 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kac n GLU 54 N -3.81 -1.20 0.00 -0.67 -0.58 -1.26 -0.31 120.64 112.81 2kac n GLU 54 Ca -0.13 0.26 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 2kac n GLU 54 Cb 0.60 -4.40 0.00 0.00 -0.57 0.00 0.00 31.44 27.07 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 -0.12 0.72 0.01 0.62 0.00 -0.60 -4.99 105.19 100.83 2kac n GLY 55 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.17 0.00 -4.69 1.61 4.01 0.57 -4.76 117.16 112.74 2kac n TYR 56 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.49 2kac n TYR 56 Cb 0.00 -0.37 -0.16 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 1.25 -0.23 -0.72 2.01 -0.88 -1.37 115.64 112.92 2kac s THR 57 Ca 0.21 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.63 2kac s THR 57 Cb 0.19 -1.10 0.06 0.00 0.01 0.00 0.00 72.50 71.66 2kac s THR 57 CO 0.51 0.37 -0.05 -0.76 -0.69 0.00 0.00 174.62 174.00 2kac s LEU 58 N 0.33 2.46 -0.69 4.42 1.43 -0.19 -1.17 118.68 125.27 2kac s LEU 58 Ca -0.09 -1.13 -0.16 0.00 -1.03 0.00 0.00 54.13 51.73 2kac s LEU 58 Cb -0.13 -1.15 0.17 0.00 0.03 0.00 0.00 46.19 45.11 2kac s LEU 58 CO 0.03 -0.23 0.68 0.20 0.23 0.00 0.00 176.35 177.25 2kac s ASN 59 N 1.42 6.47 0.06 2.29 0.01 -0.21 -0.61 114.94 124.37 2kac s ASN 59 Ca -0.05 -2.16 -0.18 0.00 -0.71 0.00 0.00 52.86 49.76 2kac s ASN 59 Cb -0.19 -2.23 -0.06 0.00 0.41 0.00 0.00 41.25 39.18 2kac s ASN 59 CO -0.06 -0.77 0.53 -0.63 -1.51 0.00 0.00 177.10 174.66 2kac s ILE 60 N 1.15 4.81 -0.06 0.60 1.01 0.11 -1.00 121.20 127.81 2kac s ILE 60 Ca 0.12 1.11 -0.00 0.00 0.00 0.00 0.00 60.65 61.88 2kac s ILE 60 Cb -0.19 -3.85 0.02 0.00 0.01 0.00 0.00 42.46 38.46 2kac s ILE 60 CO -0.03 0.54 -0.03 -0.70 0.00 0.00 0.00 174.94 174.72 2kac s GLU 61 N -1.17 0.81 0.16 2.79 2.12 -0.35 -2.88 118.70 120.18 2kac s GLU 61 Ca 0.29 -0.03 -0.22 0.00 0.36 0.00 0.00 54.97 55.37 2kac s GLU 61 Cb -0.19 -0.98 -0.08 0.00 0.26 0.00 0.00 34.13 33.15 2kac s GLU 61 CO 0.18 -0.19 0.70 -0.06 -0.54 0.00 0.00 175.26 175.35 2kac s PHE 62 N 1.44 3.79 0.05 5.30 0.08 -0.56 -1.30 117.98 126.77 2kac s PHE 62 Ca -0.03 1.45 -0.20 0.00 0.12 0.00 0.00 56.93 58.27 2kac s PHE 62 Cb -0.13 -2.64 -0.13 0.00 -0.57 0.00 0.00 43.02 39.55 2kac s PHE 62 CO -0.03 0.47 1.41 0.00 -0.10 0.00 0.00 175.22 176.96 2kac h ALA 63 N 4.04 0.24 0.00 5.36 0.00 -1.18 -3.39 119.26 124.32 2kac h ALA 63 Ca -0.48 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2kac h ALA 63 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2kac h ALA 63 CO 0.65 0.05 0.00 0.41 0.00 0.00 0.00 179.25 180.36