#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kco s GLY 2 N 0.00 1.56 -0.25 -5.12 0.00 -1.26 -5.09 107.32 97.16 2kco s GLY 2 Ca 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 43.92 2kco s GLY 2 CO 0.00 -0.60 -0.05 -1.36 0.00 0.00 0.00 173.10 171.09 2kco s PHE 3 N -2.75 2.61 -0.93 1.90 0.08 -1.26 -5.06 117.98 112.56 2kco s PHE 3 Ca 0.50 -1.94 -0.24 0.00 0.12 0.00 0.00 56.93 55.37 2kco s PHE 3 Cb -0.10 -1.74 -0.02 0.00 -0.57 0.00 0.00 43.02 40.59 2kco s PHE 3 CO 0.42 -0.81 1.79 0.71 -0.10 0.00 0.00 175.22 177.23 2kco s TYR 4 N 1.32 2.03 -0.25 0.36 1.51 -1.26 -4.90 117.35 116.17 2kco s TYR 4 Ca -0.04 0.18 -0.17 0.00 -1.01 0.00 0.00 57.07 56.02 2kco s TYR 4 Cb -0.19 -4.25 0.07 0.00 -0.11 0.00 0.00 41.96 37.48 2kco s TYR 4 CO -0.07 -1.82 0.63 -1.14 -1.11 0.00 0.00 175.55 172.04 2kco s GLN 5 N 6.38 0.68 0.00 -0.62 -0.44 -1.26 -5.13 119.66 119.26 2kco s GLN 5 Ca 0.62 1.04 0.00 0.00 -2.50 0.00 0.00 55.36 54.52 2kco s GLN 5 Cb -0.05 0.20 0.00 0.00 -1.64 0.00 0.00 33.01 31.52 2kco s GLN 5 CO -0.03 -0.13 0.00 0.41 0.50 0.00 0.00 175.29 176.04 2kco n GLY 6 N 3.73 -0.50 0.25 2.59 0.00 -1.26 -4.95 105.19 105.04 2kco n GLY 6 Ca -0.18 -0.84 0.13 0.00 0.00 0.00 0.00 46.02 45.13 2kco n GLY 6 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kco h PRO 7 N 0.00 0.00 -6.75 1.61 0.13 -2.02 -3.40 132.00 121.58 2kco h PRO 7 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 2kco h PRO 7 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2kco h PRO 7 CO 0.00 0.11 0.49 0.34 -0.23 0.00 0.00 178.00 178.71 2kco s ASP 8 N -5.98 7.23 0.00 1.44 2.15 -1.26 -2.66 116.67 117.60 2kco s ASP 8 Ca 0.01 2.22 0.00 0.00 0.43 0.00 0.00 52.55 55.22 2kco s ASP 8 Cb 0.09 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 2kco s ASP 8 CO 0.60 -0.21 0.00 0.59 -0.17 0.00 0.00 175.17 175.98 2kco n ASN 9 N 1.71 0.00 -4.64 -0.34 3.02 -1.26 -4.88 115.26 108.87 2kco n ASN 9 Ca 0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.14 2kco n ASN 9 Cb 0.45 -0.20 -0.04 0.00 -0.61 0.00 0.00 39.78 39.37 2kco n ASN 9 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2kco s ARG 10 N 0.00 4.16 0.21 3.52 3.52 -1.09 -5.05 118.95 124.22 2kco s ARG 10 Ca 0.00 0.90 0.10 0.00 -0.13 0.00 0.00 55.73 56.60 2kco s ARG 10 Cb 0.00 -3.65 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 2kco s ARG 10 CO 0.00 -0.53 -0.13 0.15 -0.81 0.00 0.00 175.30 173.98 2kco s LYS 11 N 2.85 1.92 -0.78 5.12 1.02 -1.26 -4.99 119.74 123.62 2kco s LYS 11 Ca 0.34 -1.41 -0.25 0.00 0.02 0.00 0.00 55.97 54.68 2kco s LYS 11 Cb -0.15 -2.04 -0.02 0.00 -0.52 0.00 0.00 37.83 35.10 2kco s LYS 11 CO 0.08 0.41 1.78 0.96 -0.92 0.00 0.00 175.35 177.65 2kco s ILE 12 N -1.87 3.50 -1.47 2.17 -4.36 -1.26 -4.84 121.20 113.07 2kco s ILE 12 Ca 0.25 -0.10 0.26 0.00 -0.26 0.00 0.00 60.65 60.80 2kco s ILE 12 Cb -0.08 -4.21 0.47 0.00 1.25 0.00 0.00 42.46 39.89 2kco s ILE 12 CO 0.14 -1.16 1.87 0.35 0.24 0.00 0.00 174.94 176.39 2kco n THR 13 N 7.32 0.16 -1.92 8.37 -2.24 -1.26 -4.81 114.28 119.90 2kco n THR 13 Ca 0.27 0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.67 2kco n THR 13 Cb 0.50 -0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 68.08 2kco n THR 13 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2kco s GLY 14 N -2.53 1.52 -0.91 3.38 0.00 -1.26 -4.96 107.32 102.57 2kco s GLY 14 Ca 0.25 1.07 -0.20 0.00 0.00 0.00 0.00 44.72 45.84 2kco s GLY 14 CO 0.38 3.10 1.15 -0.32 0.00 0.00 0.00 173.10 177.42 2kco s GLY 15 N 3.41 1.77 -0.99 0.20 0.00 -1.26 -4.97 107.32 105.47 2kco s GLY 15 Ca 0.77 -2.58 -0.23 0.00 0.00 0.00 0.00 44.72 42.67 2kco s GLY 15 CO 0.33 2.11 1.79 1.08 0.00 0.00 0.00 173.10 178.40 2kco s LEU 16 N 3.17 3.29 -0.48 0.66 2.01 -1.26 -4.72 118.68 121.36 2kco s LEU 16 Ca 0.33 -1.12 0.05 0.00 0.01 0.00 0.00 54.13 53.40 2kco s LEU 16 Cb -0.06 -2.57 0.22 0.00 0.01 0.00 0.00 46.19 43.80 2kco s LEU 16 CO -0.07 -2.33 0.86 1.17 1.01 0.00 0.00 176.35 176.99 2kco n LYS 17 N 8.77 0.59 -2.73 1.70 3.00 -1.26 -5.08 118.16 123.15 2kco n LYS 17 Ca 0.39 -1.72 -0.43 0.00 -0.00 0.00 0.00 58.31 56.55 2kco n LYS 17 Cb 0.48 -1.27 0.00 0.00 0.00 0.00 0.00 35.03 34.24 2kco n LYS 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2kco n GLY 18 N 2.24 3.91 3.55 3.14 0.00 -1.26 -4.98 105.19 111.80 2kco n GLY 18 Ca 0.12 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.70 2kco n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kco s LYS 19 N 1.05 3.03 -0.62 1.61 -0.14 -1.26 -4.94 119.74 118.46 2kco s LYS 19 Ca 0.41 -0.15 -0.26 0.00 -1.36 0.00 0.00 55.97 54.61 2kco s LYS 19 Cb 0.02 -4.52 -0.05 0.00 -1.68 0.00 0.00 37.83 31.59 2kco s LYS 19 CO 0.00 -2.45 2.12 -1.01 -0.76 0.00 0.00 175.35 173.25 2kco s HIS 20 N 7.01 1.42 0.80 3.18 3.76 -1.26 -4.98 115.29 125.21 2kco s HIS 20 Ca 0.50 1.17 -0.13 0.00 -0.15 0.00 0.00 55.06 56.44 2kco s HIS 20 Cb -0.08 -3.84 0.19 0.00 1.11 0.00 0.00 32.58 29.96 2kco s HIS 20 CO 0.11 -2.24 0.90 0.54 -0.85 0.00 0.00 174.74 173.19 2kco n ARG 21 N 9.05 -1.66 -1.55 1.40 5.12 -1.26 -4.90 116.66 122.87 2kco n ARG 21 Ca 0.31 -1.40 -0.39 0.00 -1.93 0.00 0.00 57.85 54.44 2kco n ARG 21 Cb 0.52 -1.09 -0.04 0.00 -1.16 0.00 0.00 32.46 30.69 2kco n ARG 21 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2kco n ASP 22 N -3.95 2.32 -4.04 0.55 9.92 -1.26 -4.95 116.55 115.14 2kco n ASP 22 Ca 0.12 -0.27 -0.25 0.00 -0.53 0.00 0.00 54.79 53.86 2kco n ASP 22 Cb 0.43 -1.51 -0.16 0.00 -0.64 0.00 0.00 41.12 39.23 2kco n ASP 22 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2kco s LYS 23 N 7.87 1.72 0.26 -1.24 -0.14 -1.26 -5.04 119.74 121.91 2kco s LYS 23 Ca 1.02 -0.44 0.25 0.00 -1.36 0.00 0.00 55.97 55.45 2kco s LYS 23 Cb -0.33 -1.42 0.92 0.00 -1.68 0.00 0.00 37.83 35.31 2kco s LYS 23 CO 0.31 0.05 1.75 0.07 -0.76 0.00 0.00 175.35 176.77 2kco h ARG 24 N 6.88 0.00 -5.88 1.68 0.11 -2.05 -3.42 114.38 111.71 2kco h ARG 24 Ca -0.31 0.00 -0.48 0.00 0.10 0.00 0.00 59.98 59.30 2kco h ARG 24 Cb 1.19 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.24 2kco h ARG 24 CO 0.47 0.00 1.38 0.15 0.10 0.00 0.00 179.97 182.07 2kco s LYS 25 N -3.25 2.49 -0.44 0.08 1.02 -1.26 -4.96 119.74 113.42 2kco s LYS 25 Ca 0.07 0.75 -0.17 0.00 0.02 0.00 0.00 55.97 56.64 2kco s LYS 25 Cb 0.10 -4.46 0.03 0.00 -0.52 0.00 0.00 37.83 32.98 2kco s LYS 25 CO 0.49 -2.91 0.44 1.52 -0.92 0.00 0.00 175.35 173.97 2kco s TYR 26 N 9.91 3.17 -0.47 3.18 1.13 -1.26 -5.03 117.35 127.97 2kco s TYR 26 Ca 0.74 -0.51 -0.27 0.00 -1.41 0.00 0.00 57.07 55.63 2kco s TYR 26 Cb -0.13 -3.00 -0.03 0.00 -1.10 0.00 0.00 41.96 37.69 2kco s TYR 26 CO 0.21 -0.75 2.01 -1.21 -2.51 0.00 0.00 175.55 173.30 2kco s GLU 27 N 2.08 2.73 -0.73 -3.49 2.02 -1.26 -4.91 118.70 115.15 2kco s GLU 27 Ca 0.11 1.16 -0.27 0.00 0.02 0.00 0.00 54.97 55.98 2kco s GLU 27 Cb -0.19 -4.39 0.02 0.00 0.10 0.00 0.00 34.13 29.68 2kco s GLU 27 CO 0.12 -2.58 1.40 0.42 0.02 0.00 0.00 175.26 174.63 2kco s ILE 28 N 9.21 3.66 -0.40 -1.63 1.01 -1.26 -4.81 121.20 126.98 2kco s ILE 28 Ca 0.81 0.33 0.06 0.00 0.00 0.00 0.00 60.65 61.85 2kco s ILE 28 Cb -0.18 -4.74 0.67 0.00 0.01 0.00 0.00 42.46 38.21 2kco s ILE 28 CO 0.27 -1.68 1.84 0.61 0.00 0.00 0.00 174.94 175.97 2kco n GLY 29 N 5.50 4.36 3.56 6.18 0.00 -1.26 -4.97 105.19 118.56 2kco n GLY 29 Ca 0.07 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 2kco n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kco s ASN 30 N -1.40 5.13 1.00 1.61 -0.87 -1.26 -5.14 114.94 114.01 2kco s ASN 30 Ca 0.55 -0.04 0.00 0.00 -1.57 0.00 0.00 52.86 51.80 2kco s ASN 30 Cb 0.46 -1.85 0.00 0.00 -0.02 0.00 0.00 41.25 39.85 2kco s ASN 30 CO 0.10 0.18 0.00 -0.81 -2.57 0.00 0.00 177.10 174.00 2kco n PRO 31 N 3.49 0.00 -1.53 -0.60 -0.04 -1.26 -4.93 135.00 130.13 2kco n PRO 31 Ca -0.17 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.88 2kco n PRO 31 Cb 0.52 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 2kco n PRO 31 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2kco n PRO 32 N -1.00 1.04 -1.67 0.54 -0.02 -1.26 -4.86 135.00 127.77 2kco n PRO 32 Ca 0.00 0.14 -0.45 0.00 -2.02 0.00 0.00 63.50 61.17 2kco n PRO 32 Cb 0.00 -2.93 -0.04 0.00 -0.02 0.00 0.00 33.50 30.51 2kco n PRO 32 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2kco n THR 33 N 7.74 0.68 0.48 3.45 -2.24 -1.26 -4.87 114.28 118.27 2kco n THR 33 Ca 0.41 -0.12 0.03 0.00 -2.27 0.00 0.00 64.05 62.10 2kco n THR 33 Cb 0.39 -2.14 0.14 0.00 -2.10 0.00 0.00 70.33 66.62 2kco n THR 33 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2kco n PHE 34 N 7.11 0.67 -2.18 4.78 3.72 -1.26 -4.82 117.46 125.48 2kco n PHE 34 Ca 0.21 -0.24 -0.38 0.00 -0.05 0.00 0.00 57.45 56.99 2kco n PHE 34 Cb 0.36 -0.20 -0.03 0.00 -0.94 0.00 0.00 39.48 38.67 2kco n PHE 34 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2kco s THR 35 N -1.63 3.47 0.00 4.37 2.01 -1.26 -4.98 115.64 117.62 2kco s THR 35 Ca 0.19 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.34 2kco s THR 35 Cb 0.14 -4.22 0.00 0.00 0.01 0.00 0.00 72.50 68.43 2kco s THR 35 CO 0.07 -1.17 0.00 0.35 -0.69 0.00 0.00 174.62 173.17 2kco n THR 36 N 7.08 0.00 -1.73 -0.82 -2.24 -1.26 -4.88 114.28 110.42 2kco n THR 36 Ca 0.19 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.64 2kco n THR 36 Cb 0.51 -1.73 -0.04 0.00 -2.10 0.00 0.00 70.33 66.98 2kco n THR 36 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2kco s LEU 37 N 0.00 3.29 -0.05 3.22 0.20 -1.26 -4.70 118.68 119.38 2kco s LEU 37 Ca 0.00 0.61 0.09 0.00 0.69 0.00 0.00 54.13 55.53 2kco s LEU 37 Cb 0.00 -2.52 0.24 0.00 -0.43 0.00 0.00 46.19 43.48 2kco s LEU 37 CO 0.00 -2.87 1.19 -0.24 -0.29 0.00 0.00 176.35 174.13 2kco n SER 38 N 15.29 2.71 -0.11 3.68 2.88 -1.26 -4.74 113.62 132.07 2kco n SER 38 Ca 0.34 -2.33 -0.01 0.00 -1.33 0.00 0.00 58.87 55.54 2kco n SER 38 Cb 0.52 -0.24 0.25 0.00 -0.75 0.00 0.00 64.21 64.00 2kco n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kco h ALA 39 N 1.04 1.36 0.00 -1.46 0.00 -2.01 -2.36 119.26 115.84 2kco h ALA 39 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2kco h ALA 39 Cb 0.82 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2kco h ALA 39 CO 0.04 0.48 -0.17 0.93 0.00 0.00 0.00 179.25 180.53 2kco h GLU 40 N 0.76 0.00 -0.35 0.00 5.08 -1.98 -0.53 114.58 117.56 2kco h GLU 40 Ca 0.18 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.38 2kco h GLU 40 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2kco h GLU 40 CO -0.02 0.17 -0.40 -0.44 -1.00 0.00 0.00 179.01 177.32 2kco h ASP 41 N 0.00 0.92 0.04 1.42 5.19 -1.78 -0.34 116.42 121.87 2kco h ASP 41 Ca -0.00 -0.42 -0.12 0.00 -0.62 0.00 0.00 57.03 55.87 2kco h ASP 41 Cb 0.39 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 2kco h ASP 41 CO 0.02 1.20 -0.37 0.40 -3.12 0.00 0.00 179.24 177.37 2kco h ILE 42 N 0.70 1.30 0.00 0.35 2.04 -1.22 -1.88 117.51 118.79 2kco h ILE 42 Ca 0.05 -1.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.41 2kco h ILE 42 Cb 0.98 1.55 -0.00 0.00 -0.74 0.00 0.00 36.82 38.60 2kco h ILE 42 CO 0.09 0.46 -0.16 0.03 0.00 0.00 0.00 178.15 178.58 2kco h ARG 43 N 0.37 0.00 0.07 2.37 -0.00 -1.06 -1.99 114.38 114.15 2kco h ARG 43 Ca 0.04 0.00 -0.25 0.00 -0.50 0.00 0.00 59.98 59.27 2kco h ARG 43 Cb 0.82 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.78 2kco h ARG 43 CO 0.07 0.08 -1.12 0.97 0.00 0.00 0.00 179.97 179.96 2kco h ILE 44 N 0.00 1.56 -0.94 2.04 6.09 -0.88 -0.89 117.51 124.49 2kco h ILE 44 Ca -0.00 -3.11 0.01 0.00 -1.37 0.00 0.00 64.86 60.39 2kco h ILE 44 Cb 1.07 2.85 -0.05 0.00 0.47 0.00 0.00 36.82 41.16 2kco h ILE 44 CO 0.01 0.90 0.62 0.11 -3.07 0.00 0.00 178.15 176.72 2kco h LYS 45 N 0.06 1.25 -0.18 2.19 1.79 -1.27 -2.80 116.57 117.60 2kco h LYS 45 Ca -0.09 -0.08 -0.16 0.00 -2.18 0.00 0.00 60.65 58.14 2kco h LYS 45 Cb 1.85 -0.28 -0.01 0.00 -1.58 0.00 0.00 32.23 32.22 2kco h LYS 45 CO 0.17 0.83 -0.55 0.22 -1.08 0.00 0.00 179.45 179.04 2kco h ASP 46 N 1.28 0.62 -0.01 0.86 3.58 -1.24 0.21 116.42 121.72 2kco h ASP 46 Ca 0.34 -0.33 -0.05 0.00 0.42 0.00 0.00 57.03 57.42 2kco h ASP 46 Cb -0.14 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.73 2kco h ASP 46 CO -0.07 1.04 -0.11 0.08 -2.88 0.00 0.00 179.24 177.30 2kco h ARG 47 N 0.43 0.27 0.00 0.28 0.11 -0.90 -1.77 114.38 112.80 2kco h ARG 47 Ca 0.01 -0.06 -0.17 0.00 0.10 0.00 0.00 59.98 59.86 2kco h ARG 47 Cb 1.10 -0.04 -0.03 0.00 1.11 0.00 0.00 29.97 32.11 2kco h ARG 47 CO 0.10 0.39 -1.75 -2.37 0.10 0.00 0.00 179.97 176.45 2kco n THR 48 N -4.28 0.96 0.06 0.08 5.66 -1.11 -2.24 114.28 113.41 2kco n THR 48 Ca -0.00 -0.68 -0.13 0.00 -3.05 0.00 0.00 64.05 60.18 2kco n THR 48 Cb 0.26 -0.50 -0.09 0.00 -1.55 0.00 0.00 70.33 68.45 2kco n THR 48 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 2kco h LEU 49 N 0.00 -0.14 -0.01 1.09 5.85 -0.68 -2.88 115.31 118.54 2kco h LEU 49 Ca -0.21 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.19 2kco h LEU 49 Cb 1.59 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.66 2kco h LEU 49 CO 0.03 0.26 -0.21 0.61 -0.34 0.00 0.00 178.44 178.79 2kco n GLY 50 N -0.06 -1.37 3.57 3.75 0.00 -0.69 -4.74 105.19 105.65 2kco n GLY 50 Ca -0.09 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 2kco n GLY 50 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kco s GLY 51 N -2.97 0.59 0.05 -0.02 0.00 -0.95 -4.90 107.32 99.11 2kco s GLY 51 Ca 0.13 -2.18 0.06 0.00 0.00 0.00 0.00 44.72 42.73 2kco s GLY 51 CO 0.60 3.28 -0.16 0.54 0.00 0.00 0.00 173.10 177.36 2kco s ASN 52 N 6.21 1.86 -0.43 1.64 2.20 -1.26 -4.81 114.94 120.35 2kco s ASN 52 Ca 0.63 -0.50 -0.27 0.00 -0.94 0.00 0.00 52.86 51.78 2kco s ASN 52 Cb -0.01 -0.12 -0.04 0.00 -2.00 0.00 0.00 41.25 39.08 2kco s ASN 52 CO 0.07 0.05 2.03 0.12 -2.94 0.00 0.00 177.10 176.42 2kco s PHE 53 N -0.90 1.49 -0.63 1.54 5.36 -1.26 -4.90 117.98 118.68 2kco s PHE 53 Ca 0.03 0.89 -0.26 0.00 -0.96 0.00 0.00 56.93 56.63 2kco s PHE 53 Cb -0.08 -3.95 -0.07 0.00 -0.34 0.00 0.00 43.02 38.58 2kco s PHE 53 CO 0.02 -2.83 2.20 0.21 -1.46 0.00 0.00 175.22 173.36 2kco s LYS 54 N 6.80 2.21 0.86 10.12 2.36 -1.26 -4.95 119.74 135.88 2kco s LYS 54 Ca 0.83 0.82 -0.10 0.00 -2.55 0.00 0.00 55.97 54.97 2kco s LYS 54 Cb -0.20 -4.62 0.11 0.00 -1.05 0.00 0.00 37.83 32.07 2kco s LYS 54 CO 0.28 -3.35 1.12 0.14 1.55 0.00 0.00 175.35 175.09 2kco s VAL 55 N 11.55 2.59 -0.32 4.02 -7.23 -1.26 -4.93 120.40 124.82 2kco s VAL 55 Ca 0.85 0.19 -0.29 0.00 -1.81 0.00 0.00 61.98 60.92 2kco s VAL 55 Cb -0.14 -2.41 -0.01 0.00 0.56 0.00 0.00 36.38 34.38 2kco s VAL 55 CO 0.18 -0.25 1.59 -0.60 -0.31 0.00 0.00 175.10 175.71 2kco s ARG 56 N -4.76 3.57 0.08 4.82 3.00 -1.26 -4.92 118.95 119.48 2kco s ARG 56 Ca 0.64 1.32 -0.32 0.00 -1.00 0.00 0.00 55.73 56.38 2kco s ARG 56 Cb -0.20 -4.08 -0.11 0.00 0.00 0.00 0.00 34.95 30.56 2kco s ARG 56 CO 0.57 -1.56 1.84 1.47 0.00 0.00 0.00 175.30 177.62 2kco n LEU 57 N 9.15 3.87 -4.71 -0.88 -0.00 -1.26 -4.96 117.00 118.21 2kco n LEU 57 Ca 0.19 0.98 -0.42 0.00 -0.00 0.00 0.00 56.01 56.76 2kco n LEU 57 Cb 0.47 -1.50 -0.03 0.00 -0.00 0.00 0.00 43.42 42.36 2kco n LEU 57 CO 0.68 0.10 1.02 -0.75 -0.00 0.00 0.00 177.39 178.44 2kco s LYS 58 N 3.04 4.34 -0.74 1.47 2.20 -1.26 -4.95 119.74 123.84 2kco s LYS 58 Ca 0.84 2.00 -0.26 0.00 -0.36 0.00 0.00 55.97 58.20 2kco s LYS 58 Cb -0.53 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 32.46 2kco s LYS 58 CO 0.40 -0.40 1.98 -0.47 -0.36 0.00 0.00 175.35 176.50 2kco s TYR 59 N 1.16 1.64 0.69 4.03 6.14 -1.26 -4.97 117.35 124.78 2kco s TYR 59 Ca 0.63 0.86 -0.11 0.00 0.64 0.00 0.00 57.07 59.09 2kco s TYR 59 Cb -0.35 -3.99 0.01 0.00 0.42 0.00 0.00 41.96 38.05 2kco s TYR 59 CO 0.30 -2.04 1.06 -0.08 0.64 0.00 0.00 175.55 175.43 2kco s THR 60 N 10.13 3.97 0.15 4.34 -1.32 -1.26 -4.98 115.64 126.69 2kco s THR 60 Ca 0.72 0.67 -0.34 0.00 -1.21 0.00 0.00 61.69 61.53 2kco s THR 60 Cb -0.10 -3.37 -0.14 0.00 -1.51 0.00 0.00 72.50 67.37 2kco s THR 60 CO 0.11 -0.81 1.59 0.41 -2.21 0.00 0.00 174.62 173.71 2kco n THR 61 N -3.05 0.02 -4.38 5.08 -1.04 -1.26 -4.95 114.28 104.70 2kco n THR 61 Ca 0.08 -0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.84 2kco n THR 61 Cb 0.53 -1.57 -0.11 0.00 -1.82 0.00 0.00 70.33 67.36 2kco n THR 61 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2kco s THR 62 N 1.04 2.10 -0.15 12.58 2.01 -0.84 -3.25 115.64 129.13 2kco s THR 62 Ca 0.79 -1.97 0.02 0.00 0.31 0.00 0.00 61.69 60.84 2kco s THR 62 Cb -0.67 -1.99 0.01 0.00 0.01 0.00 0.00 72.50 69.86 2kco s THR 62 CO 0.38 -0.20 -0.20 0.00 -0.69 0.00 0.00 174.62 173.90 2kco s ALA 63 N -1.83 2.30 -0.59 7.40 0.00 -0.29 -1.41 121.76 127.35 2kco s ALA 63 Ca 0.18 -1.09 -0.16 0.00 0.00 0.00 0.00 51.96 50.89 2kco s ALA 63 Cb -0.07 -1.05 0.14 0.00 0.00 0.00 0.00 23.12 22.14 2kco s ALA 63 CO 0.08 -0.05 0.56 1.21 0.00 0.00 0.00 175.76 177.57 2kco s ASN 64 N 0.84 6.27 0.35 0.00 2.47 -0.30 -1.59 114.94 122.98 2kco s ASN 64 Ca -0.06 -1.87 -0.25 0.00 0.42 0.00 0.00 52.86 51.10 2kco s ASN 64 Cb -0.15 -2.22 -0.10 0.00 -1.45 0.00 0.00 41.25 37.32 2kco s ASN 64 CO -0.02 -0.85 0.95 0.68 -3.72 0.00 0.00 177.10 174.14 2kco s VAL 65 N 1.55 4.22 -0.14 -5.21 -7.23 0.42 -0.91 120.40 113.09 2kco s VAL 65 Ca 0.06 1.71 -0.20 0.00 -1.81 0.00 0.00 61.98 61.74 2kco s VAL 65 Cb -0.27 -3.89 -0.03 0.00 0.56 0.00 0.00 36.38 32.75 2kco s VAL 65 CO 0.02 0.02 0.58 -0.22 -0.31 0.00 0.00 175.10 175.19 2kco s LEU 66 N -2.37 4.22 -0.43 1.32 1.98 -0.68 0.46 118.68 123.19 2kco s LEU 66 Ca 0.54 0.89 -0.15 0.00 -2.89 0.00 0.00 54.13 52.51 2kco s LEU 66 Cb -0.17 -2.85 0.03 0.00 0.66 0.00 0.00 46.19 43.87 2kco s LEU 66 CO 0.21 -0.14 0.34 -0.62 -1.89 0.00 0.00 176.35 174.25 2kco s ASP 67 N 0.92 6.13 0.00 3.68 2.15 -0.53 -2.90 116.67 126.12 2kco s ASP 67 Ca 0.29 -0.99 0.20 0.00 0.43 0.00 0.00 52.55 52.48 2kco s ASP 67 Cb -0.16 -2.17 1.07 0.00 -0.30 0.00 0.00 42.92 41.36 2kco s ASP 67 CO 0.12 -0.52 1.59 -0.81 -0.17 0.00 0.00 175.17 175.38 2kco n PRO 68 N 5.22 0.43 0.07 4.34 -0.04 -1.26 -0.03 135.00 143.73 2kco n PRO 68 Ca -0.11 0.06 -0.21 0.00 -0.04 0.00 0.00 63.50 63.20 2kco n PRO 68 Cb 0.46 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.28 2kco n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kco h ALA 69 N 3.06 -0.09 0.00 0.55 0.00 -1.90 -3.36 119.26 117.52 2kco h ALA 69 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2kco h ALA 69 Cb 0.10 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2kco h ALA 69 CO 0.00 0.44 -1.32 0.25 0.00 0.00 0.00 179.25 178.62 2kco n THR 70 N -4.05 0.03 -1.78 0.00 -2.24 -1.13 -4.99 114.28 100.12 2kco n THR 70 Ca -0.14 -0.21 -0.15 0.00 -2.27 0.00 0.00 64.05 61.28 2kco n THR 70 Cb 0.87 0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 69.57 2kco n THR 70 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2kco n ASN 71 N -1.84 -4.62 -4.20 3.42 2.85 0.96 -5.02 115.26 106.82 2kco n ASN 71 Ca 0.01 0.20 -0.26 0.00 -0.11 0.00 0.00 54.58 54.42 2kco n ASN 71 Cb 0.43 -3.56 -0.15 0.00 1.24 0.00 0.00 39.78 37.74 2kco n ASN 71 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2kco s THR 72 N -2.62 1.52 -0.15 -0.44 -4.23 -1.10 -4.92 115.64 103.71 2kco s THR 72 Ca 0.00 -0.87 -0.24 0.00 -1.18 0.00 0.00 61.69 59.40 2kco s THR 72 Cb 0.00 -1.28 -0.02 0.00 1.34 0.00 0.00 72.50 72.54 2kco s THR 72 CO 0.00 0.39 0.76 0.00 -0.54 0.00 0.00 174.62 175.24 2kco s ALA 73 N -0.50 3.47 -0.13 3.99 0.00 -1.26 -1.45 121.76 125.88 2kco s ALA 73 Ca 0.07 0.01 0.01 0.00 0.00 0.00 0.00 51.96 52.05 2kco s ALA 73 Cb -0.08 -3.12 -0.00 0.00 0.00 0.00 0.00 23.12 19.92 2kco s ALA 73 CO -0.00 -0.50 -0.18 0.21 0.00 0.00 0.00 175.76 175.29 2kco s LYS 74 N 1.77 3.20 -0.44 0.00 2.20 0.17 -4.94 119.74 121.71 2kco s LYS 74 Ca 0.36 -0.78 -0.12 0.00 -0.36 0.00 0.00 55.97 55.08 2kco s LYS 74 Cb -0.17 -2.52 0.07 0.00 -1.51 0.00 0.00 37.83 33.70 2kco s LYS 74 CO 0.14 0.12 0.31 0.21 -0.36 0.00 0.00 175.35 175.77 2kco s LYS 75 N 0.54 2.80 0.09 4.03 2.20 -1.26 -0.44 119.74 127.70 2kco s LYS 75 Ca -0.11 -1.35 0.07 0.00 -0.36 0.00 0.00 55.97 54.22 2kco s LYS 75 Cb -0.16 -3.93 -0.03 0.00 -1.51 0.00 0.00 37.83 32.19 2kco s LYS 75 CO 0.04 -0.95 -0.18 0.14 -0.36 0.00 0.00 175.35 174.04 2kco s VAL 76 N 1.54 1.49 0.63 4.02 -7.23 -0.62 -4.99 120.40 115.24 2kco s VAL 76 Ca 0.03 -1.48 -0.17 0.00 -1.81 0.00 0.00 61.98 58.55 2kco s VAL 76 Cb -0.23 -1.40 -0.01 0.00 0.56 0.00 0.00 36.38 35.30 2kco s VAL 76 CO 0.05 -0.15 1.19 -0.75 -0.31 0.00 0.00 175.10 175.14 2kco s LYS 77 N -1.92 2.77 -0.04 4.82 2.20 -1.26 -1.14 119.74 125.17 2kco s LYS 77 Ca 0.04 1.75 -0.22 0.00 -0.36 0.00 0.00 55.97 57.18 2kco s LYS 77 Cb -0.10 -1.91 -0.04 0.00 -1.51 0.00 0.00 37.83 34.27 2kco s LYS 77 CO 0.04 -1.35 0.67 0.42 -0.36 0.00 0.00 175.35 174.76 2kco s ILE 78 N -1.78 4.97 0.00 5.43 1.01 -1.20 -2.80 121.20 126.83 2kco s ILE 78 Ca 0.75 1.38 0.00 0.00 0.00 0.00 0.00 60.65 62.79 2kco s ILE 78 Cb -0.29 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.18 2kco s ILE 78 CO 0.37 0.32 0.00 0.18 0.00 0.00 0.00 174.94 175.81 2kco n LEU 79 N 3.33 1.19 -3.45 2.97 4.77 -0.32 -4.99 117.00 120.51 2kco n LEU 79 Ca -0.03 0.05 -0.11 0.00 -0.03 0.00 0.00 56.01 55.89 2kco n LEU 79 Cb 0.51 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.47 2kco n LEU 79 CO 0.46 -0.11 0.48 -1.83 -1.33 0.00 0.00 177.39 175.06 2kco s GLU 80 N -0.21 1.15 0.08 3.23 1.03 -1.21 -4.99 118.70 117.78 2kco s GLU 80 Ca 0.00 -0.39 -0.24 0.00 0.03 0.00 0.00 54.97 54.38 2kco s GLU 80 Cb 0.00 0.53 -0.06 0.00 -0.80 0.00 0.00 34.13 33.80 2kco s GLU 80 CO 0.00 -0.49 0.72 0.96 -1.33 0.00 0.00 175.26 175.12 2kco s ILE 81 N -3.44 4.65 -0.09 1.83 -0.00 -1.26 -0.62 121.20 122.26 2kco s ILE 81 Ca 0.01 1.55 -0.07 0.00 -0.00 0.00 0.00 60.65 62.14 2kco s ILE 81 Cb -0.01 -4.07 -0.02 0.00 -0.00 0.00 0.00 42.46 38.35 2kco s ILE 81 CO -0.11 0.44 -0.15 0.18 -0.00 0.00 0.00 174.94 175.31 2kco n LEU 82 N 2.31 1.13 -4.65 0.37 7.99 -0.35 -4.82 117.00 118.99 2kco n LEU 82 Ca -0.05 0.39 -0.43 0.00 -0.01 0.00 0.00 56.01 55.91 2kco n LEU 82 Cb 0.50 -0.70 -0.02 0.00 -0.11 0.00 0.00 43.42 43.09 2kco n LEU 82 CO 0.46 -0.44 1.07 -0.70 -1.51 0.00 0.00 177.39 176.26 2kco s GLU 83 N -1.90 4.17 -0.03 3.23 2.12 -1.24 -4.98 118.70 120.08 2kco s GLU 83 Ca -0.12 1.52 -0.30 0.00 0.36 0.00 0.00 54.97 56.43 2kco s GLU 83 Cb 0.02 -3.77 -0.06 0.00 0.26 0.00 0.00 34.13 30.58 2kco s GLU 83 CO 0.18 -0.79 1.63 0.99 -0.54 0.00 0.00 175.26 176.73 2kco s THR 84 N 3.64 3.51 0.52 -1.70 2.01 -1.26 -3.78 115.64 118.58 2kco s THR 84 Ca 0.53 0.71 -0.21 0.00 0.31 0.00 0.00 61.69 63.03 2kco s THR 84 Cb -0.19 -3.46 -0.08 0.00 0.01 0.00 0.00 72.50 68.78 2kco s THR 84 CO 0.15 -0.05 0.96 -2.65 -0.69 0.00 0.00 174.62 172.35 2kco n PRO 85 N 6.71 1.11 -0.27 4.92 -0.02 -1.26 -4.94 135.00 141.24 2kco n PRO 85 Ca 0.17 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2kco n PRO 85 Cb 0.42 -2.09 0.13 0.00 -0.02 0.00 0.00 33.50 31.94 2kco n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kco h ALA 86 N 0.98 1.05 -0.54 3.55 0.00 -1.94 -2.13 119.26 120.22 2kco h ALA 86 Ca -0.47 0.01 -0.73 0.00 0.00 0.00 0.00 54.91 53.72 2kco h ALA 86 Cb 1.35 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.87 2kco h ALA 86 CO 0.53 0.15 2.65 0.27 0.00 0.00 0.00 179.25 182.86 2kco n ASN 87 N -4.71 7.68 -0.35 0.00 6.94 -1.26 -4.76 115.26 118.80 2kco n ASN 87 Ca 0.11 -3.03 0.02 0.00 -0.02 0.00 0.00 54.58 51.66 2kco n ASN 87 Cb 0.19 -1.42 0.16 0.00 -2.36 0.00 0.00 39.78 36.35 2kco n ASN 87 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 2kco h LYS 88 N 4.86 1.08 -0.59 -3.83 -0.00 -1.73 0.49 116.57 116.85 2kco h LYS 88 Ca 0.69 -0.07 0.17 0.00 -0.00 0.00 0.00 60.65 61.45 2kco h LYS 88 Cb 0.35 -0.24 -0.02 0.00 -0.00 0.00 0.00 32.23 32.31 2kco h LYS 88 CO 1.57 0.72 0.52 1.05 -0.00 0.00 0.00 179.45 183.30 2kco h GLU 89 N 1.12 0.00 0.00 0.07 4.11 -1.89 -1.24 114.58 116.75 2kco h GLU 89 Ca 0.41 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.51 2kco h GLU 89 Cb 0.16 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 2kco h GLU 89 CO -0.17 0.00 -2.18 1.28 0.07 0.00 0.00 179.01 178.01 2kco n LEU 90 N -3.94 0.25 -0.24 3.06 4.77 -0.61 -4.37 117.00 115.93 2kco n LEU 90 Ca 0.11 0.12 0.19 0.00 -0.03 0.00 0.00 56.01 56.40 2kco n LEU 90 Cb 0.75 0.39 0.51 0.00 -2.33 0.00 0.00 43.42 42.74 2kco n LEU 90 CO 0.32 0.45 1.22 0.00 -1.33 0.00 0.00 177.39 178.05 2kco h ALA 91 N 1.03 2.21 0.00 -1.18 0.00 0.27 0.56 119.26 122.15 2kco h ALA 91 Ca -0.46 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 2kco h ALA 91 Cb 2.14 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.90 2kco h ALA 91 CO 0.04 -0.49 -0.37 0.07 0.00 0.00 0.00 179.25 178.50 2kco h ARG 92 N 0.40 0.00 -0.00 0.00 0.11 -1.67 -1.74 114.38 111.48 2kco h ARG 92 Ca 0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.54 2kco h ARG 92 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 2kco h ARG 92 CO -0.17 0.37 -0.03 0.54 0.10 0.00 0.00 179.97 180.78 2kco n ARG 93 N -4.04 0.19 -0.18 0.08 1.74 0.03 -4.91 116.66 109.56 2kco n ARG 93 Ca -0.02 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2kco n ARG 93 Cb 0.41 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 2kco n ARG 93 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kco n GLY 94 N 1.41 0.62 3.52 -0.13 0.00 -0.65 -5.00 105.19 104.96 2kco n GLY 94 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2kco n GLY 94 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kco s ILE 95 N -2.40 4.06 0.15 -0.61 -1.09 -0.28 -4.91 121.20 116.11 2kco s ILE 95 Ca 0.00 -0.43 -0.05 0.00 -2.23 0.00 0.00 60.65 57.94 2kco s ILE 95 Cb 0.00 -4.90 -0.06 0.00 -1.58 0.00 0.00 42.46 35.93 2kco s ILE 95 CO 0.00 -1.75 0.39 -0.63 -1.23 0.00 0.00 174.94 171.72 2kco s ILE 96 N 4.69 5.15 -0.01 2.92 1.01 -1.26 -2.24 121.20 131.45 2kco s ILE 96 Ca 0.36 0.07 -0.04 0.00 0.00 0.00 0.00 60.65 61.04 2kco s ILE 96 Cb -0.07 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 2kco s ILE 96 CO 0.02 0.04 0.21 -0.51 0.00 0.00 0.00 174.94 174.70 2kco s ILE 97 N -1.66 5.40 0.05 2.92 2.07 -1.26 -4.34 121.20 124.37 2kco s ILE 97 Ca 0.41 -0.02 -0.31 0.00 -1.41 0.00 0.00 60.65 59.32 2kco s ILE 97 Cb -0.12 -3.54 -0.10 0.00 0.13 0.00 0.00 42.46 38.83 2kco s ILE 97 CO 0.24 0.36 1.91 -1.14 -1.91 0.00 0.00 174.94 174.40 2kco n ARG 98 N 1.07 2.74 0.00 3.50 0.63 -1.26 -2.66 116.66 120.68 2kco n ARG 98 Ca -0.12 1.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.82 2kco n ARG 98 Cb 0.53 -2.92 0.00 0.00 0.45 0.00 0.00 32.46 30.52 2kco n ARG 98 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kco n GLY 99 N 4.40 1.92 3.74 5.14 0.00 0.05 -5.01 105.19 115.43 2kco n GLY 99 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2kco n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kco s ALA 100 N -2.07 3.32 0.42 4.61 0.00 -1.09 -4.78 121.76 122.18 2kco s ALA 100 Ca 0.00 0.44 -0.22 0.00 0.00 0.00 0.00 51.96 52.18 2kco s ALA 100 Cb 0.00 -3.13 -0.10 0.00 0.00 0.00 0.00 23.12 19.89 2kco s ALA 100 CO 0.00 0.06 0.96 0.15 0.00 0.00 0.00 175.76 176.93 2kco s LYS 101 N -0.23 4.24 0.05 0.00 3.01 -1.25 -2.10 119.74 123.46 2kco s LYS 101 Ca 0.42 1.19 -0.12 0.00 -1.01 0.00 0.00 55.97 56.45 2kco s LYS 101 Cb -0.22 -2.28 0.01 0.00 -1.01 0.00 0.00 37.83 34.33 2kco s LYS 101 CO 0.27 -0.03 0.27 -1.50 0.51 0.00 0.00 175.35 174.87 2kco s ILE 102 N -2.05 0.10 -0.11 2.17 2.07 0.19 -1.21 121.20 122.36 2kco s ILE 102 Ca 0.61 -0.79 0.01 0.00 -1.41 0.00 0.00 60.65 59.07 2kco s ILE 102 Cb -0.12 -0.99 -0.01 0.00 0.13 0.00 0.00 42.46 41.47 2kco s ILE 102 CO 0.16 -0.44 -0.16 -0.13 -1.91 0.00 0.00 174.94 172.47 2kco s ARG 103 N -2.79 3.17 0.37 3.50 0.52 0.21 -0.85 118.95 123.09 2kco s ARG 103 Ca -0.03 -0.73 0.02 0.00 -0.52 0.00 0.00 55.73 54.47 2kco s ARG 103 Cb -0.00 -2.52 0.02 0.00 0.52 0.00 0.00 34.95 32.98 2kco s ARG 103 CO -0.05 0.27 0.19 0.25 0.02 0.00 0.00 175.30 175.98 2kco n THR 104 N 3.34 0.00 0.25 0.02 -2.24 -0.32 -1.17 114.28 114.16 2kco n THR 104 Ca -0.18 -1.58 0.08 0.00 -2.27 0.00 0.00 64.05 60.11 2kco n THR 104 Cb 0.53 0.00 0.62 0.00 -2.10 0.00 0.00 70.33 69.38 2kco n THR 104 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2kco h GLU 105 N 0.00 0.00 0.00 -0.78 4.39 -1.82 -3.31 114.58 113.06 2kco h GLU 105 Ca -0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.44 2kco h GLU 105 Cb 0.89 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 2kco h GLU 105 CO 0.42 0.10 -0.01 0.00 -1.16 0.00 0.00 179.01 178.36 2kco h ALA 106 N 1.90 0.00 -3.00 3.43 0.00 -1.96 -3.51 119.26 116.13 2kco h ALA 106 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kco h ALA 106 Cb 0.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kco h ALA 106 CO 0.01 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.68 2kco n GLY 107 N 1.88 2.55 3.71 0.00 0.00 -1.25 -5.12 105.19 106.95 2kco n GLY 107 Ca -0.00 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 2kco n GLY 107 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kco s LEU 108 N 0.00 4.35 0.13 0.99 2.96 -1.26 -1.18 118.68 124.67 2kco s LEU 108 Ca 0.00 2.03 0.07 0.00 -0.22 0.00 0.00 54.13 56.01 2kco s LEU 108 Cb 0.00 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 2kco s LEU 108 CO 0.00 -0.54 -0.16 0.00 -1.32 0.00 0.00 176.35 174.33 2kco s ALA 109 N 1.39 1.63 -0.18 5.97 0.00 -0.03 -1.67 121.76 128.87 2kco s ALA 109 Ca 0.60 -1.31 -0.00 0.00 0.00 0.00 0.00 51.96 51.24 2kco s ALA 109 Cb -0.30 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.70 2kco s ALA 109 CO 0.28 0.17 -0.16 0.54 0.00 0.00 0.00 175.76 176.59 2kco s VAL 110 N -1.93 2.51 0.04 0.00 0.11 -0.18 -0.63 120.40 120.32 2kco s VAL 110 Ca 0.09 -0.80 -0.30 0.00 -2.93 0.00 0.00 61.98 58.04 2kco s VAL 110 Cb -0.06 -2.07 -0.07 0.00 -1.53 0.00 0.00 36.38 32.64 2kco s VAL 110 CO 0.04 0.51 1.60 0.68 -3.33 0.00 0.00 175.10 174.60 2kco s VAL 111 N 1.13 3.26 -0.64 2.04 -7.23 -0.89 -0.80 120.40 117.27 2kco s VAL 111 Ca 0.01 0.64 0.13 0.00 -1.81 0.00 0.00 61.98 60.94 2kco s VAL 111 Cb -0.14 -3.41 0.38 0.00 0.56 0.00 0.00 36.38 33.76 2kco s VAL 111 CO -0.06 -0.01 1.31 0.35 -0.31 0.00 0.00 175.10 176.38 2kco n THR 112 N 4.83 1.45 -3.91 5.32 -2.24 -0.16 -0.77 114.28 118.81 2kco n THR 112 Ca 0.16 -1.31 -0.09 0.00 -2.27 0.00 0.00 64.05 60.53 2kco n THR 112 Cb 0.41 0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.86 2kco n THR 112 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2kco s SER 113 N -1.33 -0.01 0.69 3.42 0.15 -1.08 -4.99 113.70 110.55 2kco s SER 113 Ca 0.29 -0.93 -0.11 0.00 0.70 0.00 0.00 55.95 55.90 2kco s SER 113 Cb 0.19 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 65.22 2kco s SER 113 CO 0.13 -1.38 1.06 -0.13 1.20 0.00 0.00 173.24 174.12 2kco s ARG 114 N -3.43 3.00 -0.05 5.44 1.81 -1.26 -4.28 118.95 120.18 2kco s ARG 114 Ca 0.17 0.75 -0.33 0.00 -1.72 0.00 0.00 55.73 54.61 2kco s ARG 114 Cb -0.04 -2.01 -0.11 0.00 -0.45 0.00 0.00 34.95 32.34 2kco s ARG 114 CO 0.10 -1.00 1.91 -0.35 -0.68 0.00 0.00 175.30 175.28 2kco n PRO 115 N -3.03 2.36 -0.66 3.54 -0.04 -1.26 -4.23 135.00 131.68 2kco n PRO 115 Ca 0.07 0.87 -0.29 0.00 -0.04 0.00 0.00 63.50 64.11 2kco n PRO 115 Cb 0.55 -2.74 0.23 0.00 -0.04 0.00 0.00 33.50 31.50 2kco n PRO 115 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2kco s GLY 116 N 4.15 1.56 0.55 0.55 0.00 0.00 -4.87 107.32 109.28 2kco s GLY 116 Ca 0.92 -0.08 0.32 0.00 0.00 0.00 0.00 44.72 45.88 2kco s GLY 116 CO 0.49 0.59 2.10 1.46 0.00 0.00 0.00 173.10 177.74 2kco h GLN 117 N -2.43 0.00 0.00 2.90 1.08 -1.95 -1.04 115.11 113.67 2kco h GLN 117 Ca -0.58 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.62 2kco h GLN 117 Cb 1.32 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.75 2kco h GLN 117 CO 0.50 0.07 0.00 -0.25 -0.95 0.00 0.00 178.83 178.21 2kco n ASP 118 N -3.41 0.00 -0.51 1.46 9.92 -1.26 -4.88 116.55 117.87 2kco n ASP 118 Ca -0.01 0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.50 2kco n ASP 118 Cb 0.23 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 2kco n ASP 118 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kco n GLY 119 N 0.57 0.93 2.81 0.44 0.00 -0.39 -4.95 105.19 104.59 2kco n GLY 119 Ca 0.07 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 45.20 2kco n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kco s VAL 120 N -2.97 0.59 -0.28 1.61 0.11 -1.24 -1.99 120.40 116.23 2kco s VAL 120 Ca 0.00 -0.08 -0.15 0.00 -2.93 0.00 0.00 61.98 58.82 2kco s VAL 120 Cb 0.00 -0.75 -0.03 0.00 -1.53 0.00 0.00 36.38 34.07 2kco s VAL 120 CO 0.00 0.24 0.35 -0.63 -3.33 0.00 0.00 175.10 171.73 2kco s ILE 121 N 1.88 5.19 0.11 7.04 1.09 -0.50 -0.82 121.20 135.18 2kco s ILE 121 Ca 0.04 0.44 -0.31 0.00 -1.10 0.00 0.00 60.65 59.72 2kco s ILE 121 Cb -0.13 -3.70 -0.09 0.00 -1.06 0.00 0.00 42.46 37.48 2kco s ILE 121 CO -0.06 0.12 1.67 0.21 -0.10 0.00 0.00 174.94 176.78 2kco s ASN 122 N 1.67 6.56 0.34 3.58 3.04 -1.26 -1.15 114.94 127.71 2kco s ASN 122 Ca 0.14 2.58 0.03 0.00 0.04 0.00 0.00 52.86 55.65 2kco s ASN 122 Cb -0.16 -2.57 -0.05 0.00 -1.54 0.00 0.00 41.25 36.93 2kco s ASN 122 CO 0.10 -0.90 0.08 0.00 -3.04 0.00 0.00 177.10 173.34 2kco s ALA 123 N 2.28 2.44 -0.10 1.71 0.00 -0.08 -0.99 121.76 127.02 2kco s ALA 123 Ca 0.74 -1.84 0.01 0.00 0.00 0.00 0.00 51.96 50.88 2kco s ALA 123 Cb -0.42 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.43 2kco s ALA 123 CO 0.33 -0.33 -0.13 0.08 0.00 0.00 0.00 175.76 175.71 2kco s VAL 124 N -3.32 1.34 0.16 0.00 1.01 0.02 -1.68 120.40 117.92 2kco s VAL 124 Ca 0.33 -0.54 -0.31 0.00 0.00 0.00 0.00 61.98 61.46 2kco s VAL 124 Cb 0.07 -1.25 -0.10 0.00 0.00 0.00 0.00 36.38 35.11 2kco s VAL 124 CO 0.15 0.41 1.55 -0.76 0.00 0.00 0.00 175.10 176.45 2kco s LEU 125 N 1.11 4.37 0.00 3.92 1.43 -1.14 -1.01 118.68 127.36 2kco s LEU 125 Ca -0.05 2.58 0.11 0.00 -1.03 0.00 0.00 54.13 55.74 2kco s LEU 125 Cb -0.14 -3.59 0.66 0.00 0.03 0.00 0.00 46.19 43.14 2kco s LEU 125 CO -0.03 -0.81 1.36 0.18 0.23 0.00 0.00 176.35 177.28 2kco n LEU 126 N 4.05 0.00 -4.57 1.79 4.32 -0.67 -4.51 117.00 117.41 2kco n LEU 126 Ca 0.14 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.86 2kco n LEU 126 Cb 0.39 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.13 2kco n LEU 126 CO 0.61 0.00 1.42 -0.75 -1.22 0.00 0.00 177.39 177.45 2kco s LYS 127 N -2.00 2.38 0.00 3.23 2.20 -1.26 -1.98 119.74 122.31 2kco s LYS 127 Ca 0.16 -0.80 0.00 0.00 -0.36 0.00 0.00 55.97 54.98 2kco s LYS 127 Cb 0.08 -5.16 0.00 0.00 -1.51 0.00 0.00 37.83 31.24 2kco s LYS 127 CO 0.13 -3.94 0.00 0.27 -0.36 0.00 0.00 175.35 171.45 2kco n ASN 128 N 14.81 0.00 -4.77 1.43 0.23 -1.26 -3.55 115.26 122.15 2kco n ASN 128 Ca 0.43 0.00 -0.31 0.00 -0.53 0.00 0.00 54.58 54.17 2kco n ASN 128 Cb 0.47 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 38.26 2kco n ASN 128 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 2kco s GLU 129 N 0.00 2.21 -0.70 -3.83 2.56 -0.84 -4.91 118.70 113.19 2kco s GLU 129 Ca 0.00 1.06 -0.25 0.00 0.00 0.00 0.00 54.97 55.78 2kco s GLU 129 Cb 0.00 -1.90 -0.13 0.00 2.00 0.00 0.00 34.13 34.10 2kco s GLU 129 CO 0.00 -1.65 2.42 -1.13 -0.56 0.00 0.00 175.26 174.35 2kco n SER 130 N -3.51 1.64 -3.50 -1.70 3.41 -1.26 -4.88 113.62 103.82 2kco n SER 130 Ca 0.08 -0.86 -0.20 0.00 -0.26 0.00 0.00 58.87 57.64 2kco n SER 130 Cb 0.54 -1.48 -0.13 0.00 -0.26 0.00 0.00 64.21 62.87 2kco n SER 130 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2kco s GLN 131 N 8.51 0.19 -1.31 4.33 2.00 -1.26 -5.08 119.66 127.05 2kco s GLN 131 Ca 1.02 0.10 -0.12 0.00 -2.00 0.00 0.00 55.36 54.36 2kco s GLN 131 Cb -0.30 -1.23 0.13 0.00 0.80 0.00 0.00 33.01 32.41 2kco s GLN 131 CO 0.23 -0.71 1.84 -2.13 -0.50 0.00 0.00 175.29 174.02 2kco n ARG 132 N 5.31 3.36 0.00 1.67 0.00 -1.26 -5.06 116.66 120.68 2kco n ARG 132 Ca -0.05 -3.37 0.15 0.00 -0.00 0.00 0.00 57.85 54.57 2kco n ARG 132 Cb 0.49 -3.09 0.71 0.00 0.00 0.00 0.00 32.46 30.57 2kco n ARG 132 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06