#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kco n GLY 2 N 0.00 1.11 3.67 3.03 0.00 -1.26 -5.14 105.19 106.61 2kco n GLY 2 Ca 0.00 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 2kco n GLY 2 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kco s PHE 3 N -4.64 1.91 -1.28 1.61 0.08 -1.26 -4.90 117.98 109.50 2kco s PHE 3 Ca 0.10 -0.02 -0.16 0.00 0.12 0.00 0.00 56.93 56.97 2kco s PHE 3 Cb -0.01 -4.08 -0.01 0.00 -0.57 0.00 0.00 43.02 38.34 2kco s PHE 3 CO 0.03 -4.58 2.14 0.66 -0.10 0.00 0.00 175.22 173.37 2kco n TYR 4 N 6.57 3.11 -3.13 0.36 4.01 -1.26 -4.93 117.16 121.89 2kco n TYR 4 Ca 0.18 -2.66 -0.43 0.00 -0.16 0.00 0.00 57.90 54.83 2kco n TYR 4 Cb 0.41 -2.34 -0.07 0.00 -0.31 0.00 0.00 39.34 37.03 2kco n TYR 4 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 2kco s GLN 5 N 3.70 3.40 -0.40 -0.72 2.00 -1.26 -4.97 119.66 121.40 2kco s GLN 5 Ca 0.50 -0.27 0.07 0.00 -2.00 0.00 0.00 55.36 53.65 2kco s GLN 5 Cb 0.14 -3.90 0.22 0.00 0.80 0.00 0.00 33.01 30.27 2kco s GLN 5 CO -0.03 -0.90 0.47 0.41 -0.50 0.00 0.00 175.29 174.73 2kco n GLY 6 N 4.93 2.48 3.87 2.59 0.00 -1.26 -5.15 105.19 112.65 2kco n GLY 6 Ca -0.02 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.31 2kco n GLY 6 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kco s PRO 7 N -0.67 1.71 -0.94 1.61 0.04 -1.26 -4.97 135.00 130.52 2kco s PRO 7 Ca 0.34 0.16 -0.24 0.00 0.04 0.00 0.00 61.00 61.30 2kco s PRO 7 Cb 0.12 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.77 2kco s PRO 7 CO -0.14 -1.78 1.57 -0.51 0.04 0.00 0.00 177.00 176.17 2kco s ASP 8 N -4.42 6.08 -1.16 6.66 1.11 -1.26 -4.92 116.67 118.77 2kco s ASP 8 Ca 0.63 -1.07 -0.22 0.00 0.18 0.00 0.00 52.55 52.06 2kco s ASP 8 Cb -0.12 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.26 2kco s ASP 8 CO 0.50 -1.88 1.87 0.20 1.18 0.00 0.00 175.17 177.04 2kco s ASN 9 N 5.72 5.48 0.42 0.27 0.01 -1.26 -4.96 114.94 120.62 2kco s ASN 9 Ca 0.52 -1.68 -0.21 0.00 -0.71 0.00 0.00 52.86 50.77 2kco s ASN 9 Cb -0.03 -2.58 -0.11 0.00 0.41 0.00 0.00 41.25 38.94 2kco s ASN 9 CO -0.04 -2.57 0.94 0.00 -1.51 0.00 0.00 177.10 173.92 2kco s ARG 10 N 6.01 4.26 0.78 -0.60 1.70 -1.26 -5.07 118.95 124.78 2kco s ARG 10 Ca 0.65 1.13 -0.11 0.00 -0.47 0.00 0.00 55.73 56.92 2kco s ARG 10 Cb -0.01 -2.25 0.06 0.00 -0.57 0.00 0.00 34.95 32.18 2kco s ARG 10 CO 0.09 0.01 1.09 0.15 -1.08 0.00 0.00 175.30 175.56 2kco s LYS 11 N -3.05 2.20 0.45 3.89 3.01 -1.26 -5.06 119.74 119.93 2kco s LYS 11 Ca 0.60 0.71 -0.21 0.00 -1.01 0.00 0.00 55.97 56.06 2kco s LYS 11 Cb -0.10 -1.93 -0.09 0.00 -1.01 0.00 0.00 37.83 34.70 2kco s LYS 11 CO 0.14 -1.55 1.01 0.96 0.51 0.00 0.00 175.35 176.42 2kco s ILE 12 N -3.12 3.99 -0.23 2.17 -5.25 -1.26 -5.07 121.20 112.42 2kco s ILE 12 Ca 0.60 1.27 -0.04 0.00 -0.99 0.00 0.00 60.65 61.50 2kco s ILE 12 Cb -0.14 -3.54 -0.00 0.00 2.95 0.00 0.00 42.46 41.73 2kco s ILE 12 CO 0.54 -0.23 -0.03 0.42 -1.79 0.00 0.00 174.94 173.86 2kco s THR 13 N -2.00 3.40 -0.10 8.37 -4.23 -1.26 -5.10 115.64 114.72 2kco s THR 13 Ca 0.64 -0.58 -0.09 0.00 -1.18 0.00 0.00 61.69 60.48 2kco s THR 13 Cb -0.15 -2.60 0.03 0.00 1.34 0.00 0.00 72.50 71.12 2kco s THR 13 CO 0.18 0.35 0.27 -0.83 -0.54 0.00 0.00 174.62 174.05 2kco s GLY 14 N 1.46 -0.20 -0.39 3.99 0.00 -1.26 -5.10 107.32 105.82 2kco s GLY 14 Ca 0.05 0.74 -0.00 0.00 0.00 0.00 0.00 44.72 45.51 2kco s GLY 14 CO -0.03 0.64 1.06 0.61 0.00 0.00 0.00 173.10 175.39 2kco n GLY 15 N 2.91 -1.19 2.96 0.20 0.00 -1.26 -5.10 105.19 103.71 2kco n GLY 15 Ca -0.13 0.81 -0.31 0.00 0.00 0.00 0.00 46.02 46.40 2kco n GLY 15 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kco s LEU 16 N 0.14 4.29 -0.13 0.99 2.96 -1.26 -5.08 118.68 120.59 2kco s LEU 16 Ca 0.27 -2.15 -0.06 0.00 -0.22 0.00 0.00 54.13 51.98 2kco s LEU 16 Cb 0.17 -1.50 0.06 0.00 0.50 0.00 0.00 46.19 45.42 2kco s LEU 16 CO -0.12 -0.37 0.29 -0.75 -1.32 0.00 0.00 176.35 174.07 2kco s LYS 17 N 0.91 0.21 -0.30 1.98 2.20 -1.26 -5.15 119.74 118.33 2kco s LYS 17 Ca 0.11 0.71 -0.16 0.00 -0.36 0.00 0.00 55.97 56.27 2kco s LYS 17 Cb -0.19 -0.03 0.21 0.00 -1.51 0.00 0.00 37.83 36.30 2kco s LYS 17 CO -0.10 -0.23 1.25 0.20 -0.36 0.00 0.00 175.35 176.11 2kco s GLY 18 N 1.95 0.59 0.39 5.54 0.00 -1.26 -5.19 107.32 109.34 2kco s GLY 18 Ca -0.04 3.81 0.08 0.00 0.00 0.00 0.00 44.72 48.57 2kco s GLY 18 CO -0.09 2.81 0.01 0.54 0.00 0.00 0.00 173.10 176.37 2kco s LYS 19 N 1.13 1.97 0.04 2.90 -0.14 -1.26 -5.17 119.74 119.22 2kco s LYS 19 Ca -0.08 -2.01 -0.00 0.00 -1.36 0.00 0.00 55.97 52.52 2kco s LYS 19 Cb -0.02 -1.72 -0.03 0.00 -1.68 0.00 0.00 37.83 34.38 2kco s LYS 19 CO -0.10 -0.01 -0.04 -1.01 -0.76 0.00 0.00 175.35 173.43 2kco s HIS 20 N -2.66 0.49 -0.08 3.18 3.76 -1.26 -5.17 115.29 113.55 2kco s HIS 20 Ca 0.35 -0.82 -0.04 0.00 -0.15 0.00 0.00 55.06 54.40 2kco s HIS 20 Cb 0.07 -0.34 -0.04 0.00 1.11 0.00 0.00 32.58 33.38 2kco s HIS 20 CO 0.18 -0.27 0.10 1.03 -0.85 0.00 0.00 174.74 174.94 2kco s ARG 21 N -2.89 3.27 -0.76 1.40 1.81 -1.26 -5.07 118.95 115.45 2kco s ARG 21 Ca -0.02 -0.27 -0.24 0.00 -1.72 0.00 0.00 55.73 53.49 2kco s ARG 21 Cb 0.00 -3.03 0.06 0.00 -0.45 0.00 0.00 34.95 31.53 2kco s ARG 21 CO -0.06 0.73 1.15 -0.51 -0.68 0.00 0.00 175.30 175.93 2kco s ASP 22 N -1.18 6.25 0.11 0.23 1.11 -1.26 -5.02 116.67 116.91 2kco s ASP 22 Ca 0.17 -0.95 -0.31 0.00 0.18 0.00 0.00 52.55 51.64 2kco s ASP 22 Cb -0.12 -2.48 -0.08 0.00 1.07 0.00 0.00 42.92 41.31 2kco s ASP 22 CO 0.06 -1.56 1.38 -0.54 1.18 0.00 0.00 175.17 175.70 2kco s LYS 23 N 4.63 4.32 -0.29 8.23 3.01 -1.26 -5.01 119.74 133.37 2kco s LYS 23 Ca 0.30 2.06 -0.01 0.00 -1.01 0.00 0.00 55.97 57.32 2kco s LYS 23 Cb -0.11 -3.27 0.13 0.00 -1.01 0.00 0.00 37.83 33.58 2kco s LYS 23 CO 0.08 -0.44 0.27 -0.98 0.51 0.00 0.00 175.35 174.79 2kco s ARG 24 N 1.16 0.32 -0.54 1.68 1.70 -1.26 -5.11 118.95 116.90 2kco s ARG 24 Ca 0.64 -0.26 -0.19 0.00 -0.47 0.00 0.00 55.73 55.46 2kco s ARG 24 Cb -0.36 -0.75 0.08 0.00 -0.57 0.00 0.00 34.95 33.35 2kco s ARG 24 CO 0.30 -1.04 0.66 0.21 -1.08 0.00 0.00 175.30 174.35 2kco s LYS 25 N 2.25 3.09 0.62 3.89 2.47 -1.26 -5.07 119.74 125.73 2kco s LYS 25 Ca 0.10 -1.08 -0.12 0.00 -1.56 0.00 0.00 55.97 53.30 2kco s LYS 25 Cb -0.14 -4.17 -0.04 0.00 -1.46 0.00 0.00 37.83 32.02 2kco s LYS 25 CO -0.32 -1.36 1.03 0.71 0.16 0.00 0.00 175.35 175.57 2kco s TYR 26 N 2.65 3.46 0.22 4.03 1.51 -1.26 -5.10 117.35 122.86 2kco s TYR 26 Ca 0.13 1.36 0.10 0.00 -1.01 0.00 0.00 57.07 57.66 2kco s TYR 26 Cb -0.21 -2.78 -0.04 0.00 -0.11 0.00 0.00 41.96 38.81 2kco s TYR 26 CO 0.09 -0.77 -0.15 -1.83 -1.11 0.00 0.00 175.55 171.79 2kco s GLU 27 N -4.91 1.83 -0.10 -0.62 -1.05 -1.26 -5.14 118.70 107.45 2kco s GLU 27 Ca 0.57 -1.49 -0.10 0.00 -0.15 0.00 0.00 54.97 53.80 2kco s GLU 27 Cb -0.12 -1.97 -0.05 0.00 -0.44 0.00 0.00 34.13 31.56 2kco s GLU 27 CO 0.49 0.39 0.24 0.42 0.95 0.00 0.00 175.26 177.75 2kco s ILE 28 N -1.97 5.34 0.78 1.83 1.01 -1.26 -5.11 121.20 121.82 2kco s ILE 28 Ca 0.26 0.43 -0.12 0.00 0.00 0.00 0.00 60.65 61.22 2kco s ILE 28 Cb -0.07 -3.53 0.06 0.00 0.01 0.00 0.00 42.46 38.93 2kco s ILE 28 CO 0.14 0.56 1.15 -0.83 0.00 0.00 0.00 174.94 175.95 2kco s GLY 29 N -0.69 1.60 0.18 6.18 0.00 -1.26 -5.05 107.32 108.28 2kco s GLY 29 Ca 0.17 -0.52 -0.30 0.00 0.00 0.00 0.00 44.72 44.07 2kco s GLY 29 CO 0.06 -0.07 1.14 -1.31 0.00 0.00 0.00 173.10 172.92 2kco s ASN 30 N -4.45 7.19 0.44 1.64 -0.87 -1.26 -5.03 114.94 112.60 2kco s ASN 30 Ca 0.61 2.14 -0.25 0.00 -1.57 0.00 0.00 52.86 53.79 2kco s ASN 30 Cb -0.11 -2.60 -0.08 0.00 -0.02 0.00 0.00 41.25 38.43 2kco s ASN 30 CO 0.50 -0.28 1.35 -2.84 -2.57 0.00 0.00 177.10 173.26 2kco s PRO 31 N -0.30 3.79 0.78 -0.60 0.02 -1.26 -5.03 135.00 132.40 2kco s PRO 31 Ca 0.51 2.25 -0.11 0.00 0.02 0.00 0.00 61.00 63.66 2kco s PRO 31 Cb -0.31 -2.66 0.06 0.00 0.02 0.00 0.00 34.50 31.61 2kco s PRO 31 CO 0.36 -0.67 1.08 -1.25 -0.33 0.00 0.00 177.00 176.19 2kco s PRO 32 N -2.39 2.19 0.07 5.54 0.04 -1.26 -4.98 135.00 134.21 2kco s PRO 32 Ca 0.60 0.97 -0.31 0.00 0.04 0.00 0.00 61.00 62.30 2kco s PRO 32 Cb -0.40 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.15 2kco s PRO 32 CO 0.51 -1.63 1.76 0.99 0.04 0.00 0.00 177.00 178.67 2kco s THR 33 N -2.98 2.93 0.72 1.26 2.01 -1.26 -4.99 115.64 113.33 2kco s THR 33 Ca 0.61 0.30 -0.14 0.00 0.31 0.00 0.00 61.69 62.77 2kco s THR 33 Cb -0.16 -3.19 0.03 0.00 0.01 0.00 0.00 72.50 69.19 2kco s THR 33 CO 0.56 -0.01 1.14 0.72 -0.69 0.00 0.00 174.62 176.34 2kco s PHE 34 N 3.09 2.36 -0.16 4.92 -0.71 -1.26 -5.06 117.98 121.16 2kco s PHE 34 Ca 0.78 1.59 -0.01 0.00 -1.04 0.00 0.00 56.93 58.25 2kco s PHE 34 Cb -0.42 -3.26 -0.01 0.00 -1.21 0.00 0.00 43.02 38.13 2kco s PHE 34 CO 0.35 -2.08 -0.11 0.99 -1.34 0.00 0.00 175.22 173.03 2kco s THR 35 N -2.34 3.09 0.70 -4.49 2.01 -1.26 -5.13 115.64 108.21 2kco s THR 35 Ca 0.68 -0.63 -0.04 0.00 0.31 0.00 0.00 61.69 62.02 2kco s THR 35 Cb -0.23 -2.33 0.09 0.00 0.01 0.00 0.00 72.50 70.05 2kco s THR 35 CO 0.46 0.50 0.98 0.42 -0.69 0.00 0.00 174.62 176.29 2kco s THR 36 N 0.67 2.29 0.95 -0.82 -4.23 -1.26 -5.09 115.64 108.15 2kco s THR 36 Ca -0.06 -0.46 -0.11 0.00 -1.18 0.00 0.00 61.69 59.89 2kco s THR 36 Cb -0.15 -2.83 0.16 0.00 1.34 0.00 0.00 72.50 71.02 2kco s THR 36 CO 0.02 0.00 1.11 -1.48 -0.54 0.00 0.00 174.62 173.73 2kco s LEU 37 N -5.16 2.39 -0.23 4.79 2.34 -1.26 -4.99 118.68 116.55 2kco s LEU 37 Ca 0.63 1.94 0.10 0.00 0.06 0.00 0.00 54.13 56.86 2kco s LEU 37 Cb -0.08 -4.26 0.44 0.00 -0.56 0.00 0.00 46.19 41.73 2kco s LEU 37 CO 0.44 -3.17 1.26 -1.20 -1.06 0.00 0.00 176.35 172.62 2kco n SER 38 N -4.26 2.01 0.23 1.48 7.64 -1.26 -4.82 113.62 114.64 2kco n SER 38 Ca 0.09 -3.89 0.09 0.00 1.01 0.00 0.00 58.87 56.17 2kco n SER 38 Cb 0.53 -0.54 0.53 0.00 -1.01 0.00 0.00 64.21 63.72 2kco n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kco h ALA 39 N 1.07 1.21 -0.46 -0.43 0.00 -2.00 -2.53 119.26 116.12 2kco h ALA 39 Ca 0.06 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2kco h ALA 39 Cb 1.13 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2kco h ALA 39 CO 0.10 0.30 -0.00 0.93 0.00 0.00 0.00 179.25 180.58 2kco h GLU 40 N 0.00 0.75 -0.12 0.00 5.08 -1.99 -1.00 114.58 117.30 2kco h GLU 40 Ca -0.00 -0.19 -0.13 0.00 -1.00 0.00 0.00 59.36 58.03 2kco h GLU 40 Cb 0.58 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2kco h GLU 40 CO 0.03 0.76 -0.49 0.22 -1.00 0.00 0.00 179.01 178.53 2kco h ASP 41 N 0.70 0.35 -0.07 1.42 3.58 -1.86 -1.95 116.42 118.60 2kco h ASP 41 Ca 0.14 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 2kco h ASP 41 Cb 0.43 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.38 2kco h ASP 41 CO 0.02 0.79 -0.00 0.40 -2.88 0.00 0.00 179.24 177.56 2kco h ILE 42 N 0.26 1.26 0.00 2.25 2.04 -1.38 -2.78 117.51 119.15 2kco h ILE 42 Ca 0.01 -0.81 -0.06 0.00 1.00 0.00 0.00 64.86 65.00 2kco h ILE 42 Cb 0.96 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 2kco h ILE 42 CO 0.08 0.22 -0.28 0.03 0.00 0.00 0.00 178.15 178.21 2kco h ARG 43 N -0.18 0.00 0.07 2.37 2.47 -1.11 -0.23 114.38 117.77 2kco h ARG 43 Ca 0.02 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.49 2kco h ARG 43 Cb 0.36 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.67 2kco h ARG 43 CO 0.00 0.28 -1.10 0.97 0.56 0.00 0.00 179.97 180.68 2kco h ILE 44 N 0.00 1.51 0.00 2.04 6.09 -1.42 -1.17 117.51 124.56 2kco h ILE 44 Ca -0.00 -2.93 0.00 0.00 -1.37 0.00 0.00 64.86 60.56 2kco h ILE 44 Cb 0.82 2.76 0.00 0.00 0.47 0.00 0.00 36.82 40.88 2kco h ILE 44 CO 0.04 0.85 0.00 0.29 -3.07 0.00 0.00 178.15 176.26 2kco n LYS 45 N -3.57 0.21 0.06 2.19 5.02 -1.00 -2.57 118.16 118.50 2kco n LYS 45 Ca -0.06 0.32 -0.21 0.00 -2.02 0.00 0.00 58.31 56.34 2kco n LYS 45 Cb 0.94 -1.82 -0.15 0.00 -0.02 0.00 0.00 35.03 33.99 2kco n LYS 45 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2kco h ASP 46 N 0.00 0.52 0.57 4.39 3.58 -0.82 -3.33 116.42 121.32 2kco h ASP 46 Ca 0.00 -0.80 -0.03 0.00 0.42 0.00 0.00 57.03 56.62 2kco h ASP 46 Cb 0.51 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.39 2kco h ASP 46 CO 0.00 1.68 -0.17 0.08 -2.88 0.00 0.00 179.24 177.95 2kco h ARG 47 N 0.09 0.00 -0.87 0.28 -0.00 -1.18 -2.14 114.38 110.56 2kco h ARG 47 Ca -0.33 0.00 0.19 0.00 -0.00 0.00 0.00 59.98 59.85 2kco h ARG 47 Cb 2.07 0.00 -0.06 0.00 -0.00 0.00 0.00 29.97 31.98 2kco h ARG 47 CO 0.16 0.17 0.58 1.15 -0.00 0.00 0.00 179.97 182.02 2kco h THR 48 N 0.00 0.70 -1.95 0.08 2.02 -1.60 -3.40 112.91 108.76 2kco h THR 48 Ca -0.00 -0.14 -0.51 0.00 0.77 0.00 0.00 66.41 66.53 2kco h THR 48 Cb 0.50 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 2kco h THR 48 CO 0.02 0.08 1.48 -0.76 0.37 0.00 0.00 175.52 176.70 2kco s LEU 49 N -9.41 3.40 0.00 2.58 2.01 -0.81 -4.84 118.68 111.61 2kco s LEU 49 Ca -0.08 1.05 0.00 0.00 0.01 0.00 0.00 54.13 55.11 2kco s LEU 49 Cb 0.22 -2.85 0.00 0.00 0.01 0.00 0.00 46.19 43.58 2kco s LEU 49 CO 0.78 -2.40 0.00 0.61 1.01 0.00 0.00 176.35 176.35 2kco n GLY 50 N 5.79 4.56 3.12 -3.19 0.00 -1.26 -5.09 105.19 109.11 2kco n GLY 50 Ca 0.29 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 2kco n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kco n GLY 51 N 1.15 -1.13 3.67 -0.02 0.00 -1.26 -4.94 105.19 102.66 2kco n GLY 51 Ca 0.00 0.84 -0.43 0.00 0.00 0.00 0.00 46.02 46.44 2kco n GLY 51 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kco s ASN 52 N -2.70 7.16 0.16 1.61 -0.87 -1.26 -5.02 114.94 114.02 2kco s ASN 52 Ca 0.13 1.46 -0.30 0.00 -1.57 0.00 0.00 52.86 52.58 2kco s ASN 52 Cb -0.03 -2.55 -0.07 0.00 -0.02 0.00 0.00 41.25 38.58 2kco s ASN 52 CO 0.79 -0.58 1.06 0.12 -2.57 0.00 0.00 177.10 175.92 2kco s PHE 53 N 2.69 3.66 -0.37 2.20 5.36 -1.26 -5.02 117.98 125.24 2kco s PHE 53 Ca 0.46 1.65 -0.27 0.00 -0.96 0.00 0.00 56.93 57.81 2kco s PHE 53 Cb -0.17 -3.21 0.02 0.00 -0.34 0.00 0.00 43.02 39.32 2kco s PHE 53 CO 0.12 -0.38 1.01 0.15 -1.46 0.00 0.00 175.22 174.66 2kco s LYS 54 N -0.23 3.90 -0.50 10.12 1.02 -1.26 -4.99 119.74 127.79 2kco s LYS 54 Ca 0.49 0.75 -0.27 0.00 0.02 0.00 0.00 55.97 56.95 2kco s LYS 54 Cb -0.28 -3.80 -0.02 0.00 -0.52 0.00 0.00 37.83 33.21 2kco s LYS 54 CO 0.33 -1.01 1.87 0.08 -0.92 0.00 0.00 175.35 175.71 2kco s VAL 55 N 3.71 3.38 0.14 3.17 1.01 -1.26 -4.98 120.40 125.57 2kco s VAL 55 Ca 0.42 0.30 0.04 0.00 0.00 0.00 0.00 61.98 62.75 2kco s VAL 55 Cb -0.11 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2kco s VAL 55 CO 0.20 -0.66 0.14 0.00 0.00 0.00 0.00 175.10 174.78 2kco s ARG 56 N 6.61 2.97 0.35 2.72 3.03 -1.26 -5.14 118.95 128.23 2kco s ARG 56 Ca 0.74 -0.80 0.04 0.00 2.03 0.00 0.00 55.73 57.75 2kco s ARG 56 Cb -0.16 -2.71 -0.03 0.00 -1.03 0.00 0.00 34.95 31.02 2kco s ARG 56 CO 0.26 0.51 0.17 -0.48 -1.13 0.00 0.00 175.30 174.62 2kco s LEU 57 N -2.97 1.82 0.34 -1.89 2.34 -1.26 -5.19 118.68 111.86 2kco s LEU 57 Ca 0.31 -1.63 0.09 0.00 0.06 0.00 0.00 54.13 52.96 2kco s LEU 57 Cb -0.11 0.13 -0.06 0.00 -0.56 0.00 0.00 46.19 45.59 2kco s LEU 57 CO 0.24 -0.93 -0.09 -0.75 -1.06 0.00 0.00 176.35 173.76 2kco s LYS 58 N -3.71 1.79 0.09 1.48 2.20 -1.26 -5.10 119.74 115.22 2kco s LYS 58 Ca 0.32 -1.92 -0.35 0.00 -0.36 0.00 0.00 55.97 53.66 2kco s LYS 58 Cb 0.04 -1.65 -0.15 0.00 -1.51 0.00 0.00 37.83 34.56 2kco s LYS 58 CO 0.18 0.14 1.51 2.48 -0.36 0.00 0.00 175.35 179.29 2kco n TYR 59 N -0.77 1.94 -2.83 4.03 0.18 -1.26 -4.97 117.16 113.48 2kco n TYR 59 Ca -0.05 0.42 -0.39 0.00 1.88 0.00 0.00 57.90 59.76 2kco n TYR 59 Cb 0.63 -2.46 -0.06 0.00 -0.38 0.00 0.00 39.34 37.08 2kco n TYR 59 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 2kco s THR 60 N 1.10 4.20 -0.56 -3.48 -1.32 -1.26 -4.87 115.64 109.45 2kco s THR 60 Ca 0.83 1.89 -0.27 0.00 -1.21 0.00 0.00 61.69 62.93 2kco s THR 60 Cb -0.82 -4.19 -0.01 0.00 -1.51 0.00 0.00 72.50 65.98 2kco s THR 60 CO 0.44 0.41 1.67 -0.89 -2.21 0.00 0.00 174.62 174.04 2kco s THR 61 N -1.29 3.54 0.02 5.08 2.01 -1.26 -4.52 115.64 119.21 2kco s THR 61 Ca 0.42 0.41 0.01 0.00 0.31 0.00 0.00 61.69 62.84 2kco s THR 61 Cb -0.23 -4.13 -0.01 0.00 0.01 0.00 0.00 72.50 68.14 2kco s THR 61 CO 0.28 -0.99 -0.04 -0.89 -0.69 0.00 0.00 174.62 172.30 2kco s THR 62 N 7.54 0.23 -0.07 -0.82 2.01 -0.22 -3.11 115.64 121.20 2kco s THR 62 Ca 0.62 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 62.05 2kco s THR 62 Cb -0.13 -0.29 -0.02 0.00 0.01 0.00 0.00 72.50 72.07 2kco s THR 62 CO 0.24 -0.24 -0.16 0.00 -0.69 0.00 0.00 174.62 173.77 2kco s ALA 63 N -0.84 2.57 -0.85 7.40 0.00 -0.26 -1.66 121.76 128.12 2kco s ALA 63 Ca -0.07 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 50.83 2kco s ALA 63 Cb -0.06 -0.99 0.22 0.00 0.00 0.00 0.00 23.12 22.29 2kco s ALA 63 CO -0.00 0.45 0.77 1.21 0.00 0.00 0.00 175.76 178.19 2kco s ASN 64 N -0.34 6.46 -0.27 0.00 2.47 -0.34 -2.00 114.94 120.92 2kco s ASN 64 Ca 0.03 -3.05 -0.28 0.00 0.42 0.00 0.00 52.86 49.98 2kco s ASN 64 Cb -0.13 -2.10 0.01 0.00 -1.45 0.00 0.00 41.25 37.59 2kco s ASN 64 CO 0.02 -0.42 0.99 -0.69 -3.72 0.00 0.00 177.10 173.28 2kco s VAL 65 N -0.38 4.67 0.01 -5.21 1.01 -0.33 -1.08 120.40 119.09 2kco s VAL 65 Ca 0.22 1.78 -0.30 0.00 0.00 0.00 0.00 61.98 63.67 2kco s VAL 65 Cb -0.12 -4.29 -0.07 0.00 0.00 0.00 0.00 36.38 31.91 2kco s VAL 65 CO -0.08 -0.25 1.59 -0.22 0.00 0.00 0.00 175.10 176.14 2kco s LEU 66 N 3.24 4.34 -0.39 3.92 1.98 -0.17 0.46 118.68 132.06 2kco s LEU 66 Ca 0.42 2.30 -0.18 0.00 -2.89 0.00 0.00 54.13 53.78 2kco s LEU 66 Cb -0.14 -3.55 0.01 0.00 0.66 0.00 0.00 46.19 43.17 2kco s LEU 66 CO 0.10 -0.86 0.50 -0.62 -1.89 0.00 0.00 176.35 173.57 2kco s ASP 67 N 2.63 6.26 0.00 3.68 2.15 -0.49 -3.04 116.67 127.87 2kco s ASP 67 Ca 0.71 -0.31 0.25 0.00 0.43 0.00 0.00 52.55 53.64 2kco s ASP 67 Cb -0.35 -2.26 1.34 0.00 -0.30 0.00 0.00 42.92 41.35 2kco s ASP 67 CO 0.30 -0.55 1.86 -0.81 -0.17 0.00 0.00 175.17 175.79 2kco n PRO 68 N 5.76 0.47 -0.03 4.34 -0.04 -1.26 -0.14 135.00 144.10 2kco n PRO 68 Ca -0.05 0.04 -0.14 0.00 -0.04 0.00 0.00 63.50 63.30 2kco n PRO 68 Cb 0.48 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.34 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 3.29 0.07 -0.01 0.55 0.00 -1.89 -3.35 119.26 117.92 2kco h ALA 69 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2kco h ALA 69 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2kco h ALA 69 CO 0.00 -0.01 -0.30 0.25 0.00 0.00 0.00 179.25 179.19 2kco n THR 70 N -4.62 0.00 -3.53 0.00 -2.24 -1.22 -5.02 114.28 97.65 2kco n THR 70 Ca -0.08 -0.35 -0.19 0.00 -2.27 0.00 0.00 64.05 61.15 2kco n THR 70 Cb 0.40 1.15 0.08 0.00 -2.10 0.00 0.00 70.33 69.85 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 -0.26 -2.73 -3.86 3.42 2.85 0.81 -5.04 115.26 110.45 2kco n ASN 71 Ca 0.05 -0.65 -0.14 0.00 -0.11 0.00 0.00 54.58 53.74 2kco n ASN 71 Cb 0.28 -4.88 -0.15 0.00 1.24 0.00 0.00 39.78 36.27 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 -3.41 0.07 0.43 -0.44 -4.23 -0.98 -4.95 115.64 102.14 2kco s THR 72 Ca 0.13 0.01 -0.11 0.00 -1.18 0.00 0.00 61.69 60.54 2kco s THR 72 Cb -0.06 -0.10 -0.06 0.00 1.34 0.00 0.00 72.50 73.62 2kco s THR 72 CO 0.75 0.05 0.81 0.00 -0.54 0.00 0.00 174.62 175.68 2kco s ALA 73 N 0.27 3.31 0.03 3.99 0.00 -1.26 -1.39 121.76 126.71 2kco s ALA 73 Ca -0.02 -0.17 -0.06 0.00 0.00 0.00 0.00 51.96 51.70 2kco s ALA 73 Cb -0.04 -2.76 -0.01 0.00 0.00 0.00 0.00 23.12 20.31 2kco s ALA 73 CO -0.01 -0.09 0.11 -1.59 0.00 0.00 0.00 175.76 174.19 2kco s LYS 74 N -3.99 0.58 -0.28 0.00 -2.85 0.17 -4.91 119.74 108.46 2kco s LYS 74 Ca 0.52 -0.69 0.03 0.00 -1.00 0.00 0.00 55.97 54.83 2kco s LYS 74 Cb -0.10 0.23 0.07 0.00 -2.06 0.00 0.00 37.83 35.97 2kco s LYS 74 CO 0.33 -0.15 -0.05 0.21 0.10 0.00 0.00 175.35 175.79 2kco s LYS 75 N -2.44 1.93 0.13 1.78 2.20 -1.26 -1.19 119.74 120.89 2kco s LYS 75 Ca -0.06 -1.46 0.08 0.00 -0.36 0.00 0.00 55.97 54.17 2kco s LYS 75 Cb -0.02 -2.93 -0.04 0.00 -1.51 0.00 0.00 37.83 33.33 2kco s LYS 75 CO -0.04 -0.69 -0.19 0.14 -0.36 0.00 0.00 175.35 174.21 2kco s VAL 76 N 1.08 1.71 0.61 4.02 -7.23 -0.85 -4.99 120.40 114.75 2kco s VAL 76 Ca -0.03 -1.69 -0.17 0.00 -1.81 0.00 0.00 61.98 58.28 2kco s VAL 76 Cb -0.20 -1.65 -0.02 0.00 0.56 0.00 0.00 36.38 35.07 2kco s VAL 76 CO -0.06 -0.19 1.12 -0.75 -0.31 0.00 0.00 175.10 174.91 2kco s LYS 77 N -2.30 3.00 -0.17 4.82 2.20 -1.26 -1.10 119.74 124.94 2kco s LYS 77 Ca 0.10 1.50 -0.20 0.00 -0.36 0.00 0.00 55.97 57.01 2kco s LYS 77 Cb -0.08 -1.97 -0.03 0.00 -1.51 0.00 0.00 37.83 34.24 2kco s LYS 77 CO 0.05 -1.11 0.57 0.42 -0.36 0.00 0.00 175.35 174.92 2kco s ILE 78 N -2.09 5.09 0.00 5.43 1.01 -1.18 -2.94 121.20 126.52 2kco s ILE 78 Ca 0.70 1.09 0.00 0.00 0.00 0.00 0.00 60.65 62.44 2kco s ILE 78 Cb -0.22 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.35 2kco s ILE 78 CO 0.36 0.19 0.00 0.18 0.00 0.00 0.00 174.94 175.67 2kco n LEU 79 N 4.53 0.39 -3.76 2.97 4.32 -0.66 -4.99 117.00 119.80 2kco n LEU 79 Ca -0.04 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.83 2kco n LEU 79 Cb 0.50 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.18 2kco n LEU 79 CO 0.43 0.00 -0.16 -1.83 -1.22 0.00 0.00 177.39 174.62 2kco s GLU 80 N 0.00 0.19 -0.02 3.23 -1.05 -1.09 -4.97 118.70 114.99 2kco s GLU 80 Ca 0.00 0.38 -0.21 0.00 -0.15 0.00 0.00 54.97 55.00 2kco s GLU 80 Cb 0.00 -0.04 -0.05 0.00 -0.44 0.00 0.00 34.13 33.60 2kco s GLU 80 CO 0.00 -0.11 0.61 0.96 0.95 0.00 0.00 175.26 177.67 2kco s ILE 81 N 0.76 4.95 0.00 1.83 -0.00 -1.26 -0.06 121.20 127.42 2kco s ILE 81 Ca -0.05 1.26 0.00 0.00 -0.00 0.00 0.00 60.65 61.86 2kco s ILE 81 Cb -0.07 -3.94 0.00 0.00 -0.00 0.00 0.00 42.46 38.45 2kco s ILE 81 CO -0.04 0.38 0.00 0.18 -0.00 0.00 0.00 174.94 175.46 2kco n LEU 82 N 3.00 0.17 -4.62 0.37 7.99 -0.35 -4.79 117.00 118.77 2kco n LEU 82 Ca -0.06 0.23 -0.43 0.00 -0.01 0.00 0.00 56.01 55.74 2kco n LEU 82 Cb 0.51 -0.44 -0.02 0.00 -0.11 0.00 0.00 43.42 43.35 2kco n LEU 82 CO 0.44 -0.44 1.29 -0.70 -1.51 0.00 0.00 177.39 176.47 2kco s GLU 83 N -0.89 3.73 -0.09 3.23 2.12 -1.25 -4.94 118.70 120.62 2kco s GLU 83 Ca 0.00 1.36 -0.30 0.00 0.36 0.00 0.00 54.97 56.39 2kco s GLU 83 Cb 0.00 -4.00 -0.05 0.00 0.26 0.00 0.00 34.13 30.34 2kco s GLU 83 CO 0.00 -1.36 1.62 0.99 -0.54 0.00 0.00 175.26 175.96 2kco s THR 84 N 5.19 3.66 0.49 -1.70 2.01 -1.26 -3.77 115.64 120.25 2kco s THR 84 Ca 0.66 0.79 -0.23 0.00 0.31 0.00 0.00 61.69 63.22 2kco s THR 84 Cb -0.20 -3.53 -0.08 0.00 0.01 0.00 0.00 72.50 68.70 2kco s THR 84 CO 0.29 -0.10 1.19 -2.65 -0.69 0.00 0.00 174.62 172.66 2kco n PRO 85 N 7.16 1.57 -0.34 4.92 -0.02 -1.26 -4.93 135.00 142.09 2kco n PRO 85 Ca 0.17 0.57 0.03 0.00 -2.02 0.00 0.00 63.50 62.25 2kco n PRO 85 Cb 0.43 -2.33 0.18 0.00 -0.02 0.00 0.00 33.50 31.76 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 1.52 1.33 -0.98 3.55 0.00 -1.94 -2.14 119.26 120.61 2kco h ALA 86 Ca -0.48 -0.00 -0.77 0.00 0.00 0.00 0.00 54.91 53.66 2kco h ALA 86 Cb 1.32 -0.25 -0.21 0.00 0.00 0.00 0.00 17.79 18.65 2kco h ALA 86 CO 0.57 0.32 1.51 0.27 0.00 0.00 0.00 179.25 181.91 2kco n ASN 87 N -4.59 7.59 -0.23 0.00 6.94 -1.26 -4.79 115.26 118.92 2kco n ASN 87 Ca 0.15 -3.48 -0.00 0.00 -0.02 0.00 0.00 54.58 51.23 2kco n ASN 87 Cb 0.22 -1.24 0.22 0.00 -2.36 0.00 0.00 39.78 36.63 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 4.20 1.01 0.00 -3.83 -0.00 -1.72 -0.71 116.57 115.53 2kco h LYS 88 Ca 0.59 -0.08 0.00 0.00 -0.00 0.00 0.00 60.65 61.17 2kco h LYS 88 Cb 0.31 -0.22 0.00 0.00 -0.00 0.00 0.00 32.23 32.32 2kco h LYS 88 CO 1.29 0.70 0.00 1.05 -0.00 0.00 0.00 179.45 182.49 2kco h GLU 89 N 1.04 0.00 0.09 0.07 9.09 -1.88 -1.03 114.58 121.96 2kco h GLU 89 Ca 0.27 0.00 -0.37 0.00 0.05 0.00 0.00 59.36 59.32 2kco h GLU 89 Cb -0.07 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.00 2kco h GLU 89 CO -0.05 0.00 -2.07 1.28 0.05 0.00 0.00 179.01 178.22 2kco n LEU 90 N -2.76 2.67 0.32 3.06 4.77 -0.86 -4.31 117.00 119.88 2kco n LEU 90 Ca -0.01 0.15 0.18 0.00 -0.03 0.00 0.00 56.01 56.31 2kco n LEU 90 Cb 0.14 -1.07 0.98 0.00 -2.33 0.00 0.00 43.42 41.14 2kco n LEU 90 CO 0.19 0.84 1.13 0.00 -1.33 0.00 0.00 177.39 178.22 2kco h ALA 91 N 0.02 1.15 -0.44 -1.18 0.00 -0.32 -0.56 119.26 117.92 2kco h ALA 91 Ca -0.45 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2kco h ALA 91 Cb 1.97 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 2kco h ALA 91 CO 0.04 -0.15 0.17 0.07 0.00 0.00 0.00 179.25 179.37 2kco h ARG 92 N 0.00 0.64 0.00 0.00 0.11 -1.41 -2.09 114.38 111.62 2kco h ARG 92 Ca 0.00 -0.09 -0.07 0.00 0.10 0.00 0.00 59.98 59.92 2kco h ARG 92 Cb 0.30 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.26 2kco h ARG 92 CO 0.00 0.54 -0.31 0.00 0.10 0.00 0.00 179.97 180.30 2kco h ARG 93 N 0.63 0.00 0.00 0.08 3.08 -1.37 -3.47 114.38 113.33 2kco h ARG 93 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2kco h ARG 93 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2kco h ARG 93 CO -0.01 0.31 0.00 0.41 -1.07 0.00 0.00 179.97 179.61 2kco n GLY 94 N 1.06 1.12 3.53 0.04 0.00 -0.79 -4.72 105.19 105.43 2kco n GLY 94 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 4.41 0.18 -0.61 -1.09 -0.93 -4.88 121.20 116.28 2kco s ILE 95 Ca 0.00 -1.81 -0.11 0.00 -2.23 0.00 0.00 60.65 56.50 2kco s ILE 95 Cb 0.00 -5.03 -0.07 0.00 -1.58 0.00 0.00 42.46 35.78 2kco s ILE 95 CO 0.00 -1.83 0.52 -0.63 -1.23 0.00 0.00 174.94 171.78 2kco s ILE 96 N 3.47 4.94 0.06 2.92 1.01 -1.26 -2.00 121.20 130.34 2kco s ILE 96 Ca 0.46 0.56 -0.11 0.00 0.00 0.00 0.00 60.65 61.56 2kco s ILE 96 Cb 0.00 -3.66 -0.06 0.00 0.01 0.00 0.00 42.46 38.76 2kco s ILE 96 CO -0.01 0.07 0.41 -0.51 0.00 0.00 0.00 174.94 174.91 2kco s ILE 97 N -1.65 5.07 0.01 2.92 2.07 -1.26 -4.38 121.20 123.99 2kco s ILE 97 Ca 0.42 0.57 -0.33 0.00 -1.41 0.00 0.00 60.65 59.90 2kco s ILE 97 Cb -0.13 -3.66 -0.11 0.00 0.13 0.00 0.00 42.46 38.69 2kco s ILE 97 CO 0.20 0.36 1.85 -1.14 -1.91 0.00 0.00 174.94 174.30 2kco n ARG 98 N 1.14 2.43 0.00 3.50 0.00 -1.26 -2.13 116.66 120.34 2kco n ARG 98 Ca -0.09 0.89 0.00 0.00 -0.00 0.00 0.00 57.85 58.64 2kco n ARG 98 Cb 0.52 -2.75 0.00 0.00 0.00 0.00 0.00 32.46 30.23 2kco n ARG 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2kco n GLY 99 N 4.25 0.57 3.75 5.14 0.00 -0.24 -5.04 105.19 113.62 2kco n GLY 99 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 3.38 0.37 4.61 0.00 -0.90 -4.83 121.76 122.38 2kco s ALA 100 Ca 0.00 0.27 -0.25 0.00 0.00 0.00 0.00 51.96 51.98 2kco s ALA 100 Cb 0.00 -2.98 -0.09 0.00 0.00 0.00 0.00 23.12 20.05 2kco s ALA 100 CO 0.00 0.09 1.01 0.15 0.00 0.00 0.00 175.76 177.00 2kco s LYS 101 N -0.13 4.35 0.04 0.00 3.01 -1.25 -2.41 119.74 123.35 2kco s LYS 101 Ca 0.38 1.43 -0.04 0.00 -1.01 0.00 0.00 55.97 56.74 2kco s LYS 101 Cb -0.21 -2.65 -0.02 0.00 -1.01 0.00 0.00 37.83 33.95 2kco s LYS 101 CO 0.23 0.04 0.05 -1.50 0.51 0.00 0.00 175.35 174.68 2kco s ILE 102 N -1.65 0.15 -0.17 2.17 2.07 0.01 -1.21 121.20 122.57 2kco s ILE 102 Ca 0.55 -1.23 0.00 0.00 -1.41 0.00 0.00 60.65 58.56 2kco s ILE 102 Cb -0.20 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.44 2kco s ILE 102 CO 0.26 -0.68 -0.16 -0.13 -1.91 0.00 0.00 174.94 172.33 2kco s ARG 103 N -2.77 3.17 0.27 3.50 0.52 0.92 -1.10 118.95 123.46 2kco s ARG 103 Ca -0.04 -0.76 0.03 0.00 -0.52 0.00 0.00 55.73 54.44 2kco s ARG 103 Cb -0.00 -2.64 0.03 0.00 0.52 0.00 0.00 34.95 32.86 2kco s ARG 103 CO -0.05 -0.06 0.28 0.25 0.02 0.00 0.00 175.30 175.74 2kco n THR 104 N 4.25 0.00 0.19 0.02 -2.24 -0.33 -1.65 114.28 114.53 2kco n THR 104 Ca -0.19 -1.00 0.03 0.00 -2.27 0.00 0.00 64.05 60.62 2kco n THR 104 Cb 0.51 -0.48 0.40 0.00 -2.10 0.00 0.00 70.33 68.66 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 0.01 0.02 -0.78 5.08 -1.85 -3.33 114.58 113.73 2kco h GLU 105 Ca -0.15 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2kco h GLU 105 Cb 0.61 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2kco h GLU 105 CO 0.23 0.32 -0.01 0.00 -1.00 0.00 0.00 179.01 178.55 2kco h ALA 106 N 1.68 -0.35 -3.00 3.43 0.00 -1.95 -3.51 119.26 115.56 2kco h ALA 106 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kco h ALA 106 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2kco h ALA 106 CO 0.04 -0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.35 2kco n GLY 107 N 0.94 2.50 3.66 0.00 0.00 -1.25 -5.12 105.19 105.92 2kco n GLY 107 Ca -0.00 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 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 4.25 0.20 0.99 2.96 -1.26 -1.18 118.68 124.64 2kco s LEU 108 Ca 0.00 1.96 0.09 0.00 -0.22 0.00 0.00 54.13 55.96 2kco s LEU 108 Cb 0.00 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 2kco s LEU 108 CO 0.00 -0.83 -0.18 0.00 -1.32 0.00 0.00 176.35 174.01 2kco s ALA 109 N 3.70 2.23 -0.13 5.97 0.00 -0.26 -1.56 121.76 131.70 2kco s ALA 109 Ca 0.64 -1.63 0.02 0.00 0.00 0.00 0.00 51.96 50.98 2kco s ALA 109 Cb -0.27 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.65 2kco s ALA 109 CO 0.22 0.23 -0.19 0.54 0.00 0.00 0.00 175.76 176.55 2kco s VAL 110 N -2.33 2.39 -0.11 0.00 0.11 -0.23 -0.81 120.40 119.42 2kco s VAL 110 Ca 0.21 -0.88 -0.29 0.00 -2.93 0.00 0.00 61.98 58.09 2kco s VAL 110 Cb -0.05 -1.97 -0.05 0.00 -1.53 0.00 0.00 36.38 32.79 2kco s VAL 110 CO 0.09 0.54 1.69 0.68 -3.33 0.00 0.00 175.10 174.76 2kco s VAL 111 N 0.62 3.56 -0.40 2.04 -7.23 -1.01 -0.84 120.40 117.15 2kco s VAL 111 Ca -0.10 0.66 0.13 0.00 -1.81 0.00 0.00 61.98 60.86 2kco s VAL 111 Cb -0.16 -3.49 0.36 0.00 0.56 0.00 0.00 36.38 33.65 2kco s VAL 111 CO 0.03 -0.13 1.28 0.35 -0.31 0.00 0.00 175.10 176.31 2kco n THR 112 N 5.92 1.66 -3.60 5.32 -2.24 -0.12 -1.07 114.28 120.15 2kco n THR 112 Ca 0.19 -1.54 -0.12 0.00 -2.27 0.00 0.00 64.05 60.31 2kco n THR 112 Cb 0.44 0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.71 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 -1.64 -0.34 0.33 3.42 0.15 -1.09 -4.97 113.70 109.56 2kco s SER 113 Ca 0.30 -0.10 -0.28 0.00 0.70 0.00 0.00 55.95 56.56 2kco s SER 113 Cb 0.22 0.49 -0.10 0.00 -1.71 0.00 0.00 66.02 64.92 2kco s SER 113 CO 0.09 -0.80 1.22 0.00 1.20 0.00 0.00 173.24 174.95 2kco s ARG 114 N -3.23 4.38 0.01 5.44 3.03 -1.26 -4.49 118.95 122.83 2kco s ARG 114 Ca -0.01 2.02 -0.31 0.00 2.03 0.00 0.00 55.73 59.46 2kco s ARG 114 Cb 0.00 -3.03 -0.10 0.00 -1.03 0.00 0.00 34.95 30.80 2kco s ARG 114 CO -0.08 -0.09 1.96 -2.30 -1.13 0.00 0.00 175.30 173.66 2kco n PRO 115 N 0.77 2.71 -1.93 3.89 -0.02 -1.26 -4.77 135.00 134.40 2kco n PRO 115 Ca 0.00 0.99 -0.32 0.00 -2.02 0.00 0.00 63.50 62.16 2kco n PRO 115 Cb 0.44 -2.93 0.02 0.00 -0.02 0.00 0.00 33.50 31.00 2kco n PRO 115 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2kco s GLY 116 N 4.43 2.02 0.50 -1.23 0.00 -1.20 -4.95 107.32 106.89 2kco s GLY 116 Ca 0.90 0.32 0.34 0.00 0.00 0.00 0.00 44.72 46.28 2kco s GLY 116 CO 0.44 0.64 2.02 -1.61 0.00 0.00 0.00 173.10 174.59 2kco h GLN 117 N 0.16 0.00 0.00 2.90 4.15 -1.94 -1.64 115.11 118.73 2kco h GLN 117 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.96 2kco h GLN 117 Cb 1.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.91 2kco h GLN 117 CO 0.57 0.00 0.00 -0.25 -1.93 0.00 0.00 178.83 177.22 2kco n ASP 118 N -2.78 0.03 -0.11 -0.69 9.92 -1.26 -4.75 116.55 116.91 2kco n ASP 118 Ca -0.01 0.51 -0.01 0.00 -0.53 0.00 0.00 54.79 54.75 2kco n ASP 118 Cb 0.15 -0.51 -0.01 0.00 -0.64 0.00 0.00 41.12 40.11 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 -0.64 0.51 3.17 0.44 0.00 -0.62 -4.45 105.19 103.60 2kco n GLY 119 Ca 0.02 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 2kco n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kco s VAL 120 N -2.02 2.72 -0.33 1.61 1.01 -1.25 -1.05 120.40 121.09 2kco s VAL 120 Ca 0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 61.98 60.75 2kco s VAL 120 Cb 0.00 -2.43 0.05 0.00 0.00 0.00 0.00 36.38 33.99 2kco s VAL 120 CO 0.00 0.13 0.07 -0.63 0.00 0.00 0.00 175.10 174.67 2kco s ILE 121 N 1.27 3.42 0.14 2.22 1.09 -0.66 -3.23 121.20 125.45 2kco s ILE 121 Ca -0.02 -1.30 -0.31 0.00 -1.10 0.00 0.00 60.65 57.91 2kco s ILE 121 Cb -0.18 -2.98 -0.10 0.00 -1.06 0.00 0.00 42.46 38.15 2kco s ILE 121 CO -0.05 -0.19 1.60 0.20 -0.10 0.00 0.00 174.94 176.40 2kco s ASN 122 N 1.39 6.58 0.30 3.58 0.01 -1.26 -1.20 114.94 124.35 2kco s ASN 122 Ca -0.02 2.59 0.03 0.00 -0.71 0.00 0.00 52.86 54.74 2kco s ASN 122 Cb -0.20 -2.59 -0.06 0.00 0.41 0.00 0.00 41.25 38.82 2kco s ASN 122 CO 0.01 -0.85 0.08 0.00 -1.51 0.00 0.00 177.10 174.83 2kco s ALA 123 N 1.55 2.14 -0.10 0.60 0.00 -0.24 -0.94 121.76 124.78 2kco s ALA 123 Ca 0.71 -1.93 0.01 0.00 0.00 0.00 0.00 51.96 50.75 2kco s ALA 123 Cb -0.43 0.83 0.02 0.00 0.00 0.00 0.00 23.12 23.53 2kco s ALA 123 CO 0.32 -0.37 -0.13 0.08 0.00 0.00 0.00 175.76 175.66 2kco s VAL 124 N -3.47 1.29 -0.03 0.00 1.01 -0.02 -1.00 120.40 118.19 2kco s VAL 124 Ca 0.36 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 2kco s VAL 124 Cb 0.08 -1.20 -0.07 0.00 0.00 0.00 0.00 36.38 35.19 2kco s VAL 124 CO 0.15 0.40 1.77 -0.76 0.00 0.00 0.00 175.10 176.66 2kco s LEU 125 N 1.03 4.35 0.28 3.92 1.43 -1.17 -1.07 118.68 127.44 2kco s LEU 125 Ca -0.07 2.38 0.14 0.00 -1.03 0.00 0.00 54.13 55.55 2kco s LEU 125 Cb -0.15 -3.53 0.27 0.00 0.03 0.00 0.00 46.19 42.81 2kco s LEU 125 CO -0.01 -0.99 1.54 -0.07 0.23 0.00 0.00 176.35 177.05 2kco h LEU 126 N 10.45 0.00 -8.46 1.79 4.07 -1.63 -3.42 115.31 118.11 2kco h LEU 126 Ca -0.43 0.00 -0.30 0.00 0.08 0.00 0.00 57.88 57.23 2kco h LEU 126 Cb 1.20 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.93 2kco h LEU 126 CO 0.95 0.58 0.96 -1.59 -1.08 0.00 0.00 178.44 178.27 2kco s LYS 127 N -3.25 2.07 0.34 1.13 -2.85 -1.25 -4.94 119.74 110.98 2kco s LYS 127 Ca 0.01 0.78 0.08 0.00 -1.00 0.00 0.00 55.97 55.84 2kco s LYS 127 Cb 0.10 -4.68 -0.07 0.00 -2.06 0.00 0.00 37.83 31.13 2kco s LYS 127 CO 0.74 -3.59 -0.06 -0.80 0.10 0.00 0.00 175.35 171.74 2kco s ASN 128 N 10.65 3.44 -0.65 0.03 0.02 -1.26 -4.86 114.94 122.32 2kco s ASN 128 Ca 0.88 -1.23 -0.26 0.00 -1.02 0.00 0.00 52.86 51.23 2kco s ASN 128 Cb -0.14 -0.30 -0.08 0.00 0.02 0.00 0.00 41.25 40.76 2kco s ASN 128 CO 0.16 -0.30 2.25 -1.83 0.02 0.00 0.00 177.10 177.40 2kco s GLU 129 N -3.67 2.12 -0.13 -0.60 -1.05 -1.26 -4.90 118.70 109.21 2kco s GLU 129 Ca 0.32 0.79 -0.29 0.00 -0.15 0.00 0.00 54.97 55.65 2kco s GLU 129 Cb 0.04 -4.66 -0.05 0.00 -0.44 0.00 0.00 34.13 29.03 2kco s GLU 129 CO 0.16 -3.50 1.75 -1.54 0.95 0.00 0.00 175.26 173.07 2kco s SER 130 N 10.54 6.37 -0.02 0.83 1.04 -1.26 -4.93 113.70 126.28 2kco s SER 130 Ca 0.87 1.99 -0.30 0.00 0.48 0.00 0.00 55.95 58.99 2kco s SER 130 Cb -0.14 -2.53 -0.08 0.00 0.10 0.00 0.00 66.02 63.37 2kco s SER 130 CO 0.17 -1.21 2.02 1.67 0.98 0.00 0.00 173.24 176.87 2kco n GLN 131 N 7.61 2.67 0.01 4.02 7.27 -1.26 -4.89 117.38 132.80 2kco n GLN 131 Ca 0.20 0.95 0.11 0.00 0.07 0.00 0.00 57.00 58.33 2kco n GLN 131 Cb 0.44 -3.04 0.10 0.00 2.41 0.00 0.00 30.24 30.15 2kco n GLN 131 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2kco n ARG 132 N 7.74 0.06 0.00 3.69 -4.01 -1.26 -5.30 116.66 117.58 2kco n ARG 132 Ca 0.22 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.03 2kco n ARG 132 Cb 0.41 -1.52 0.00 0.00 -3.04 0.00 0.00 32.46 28.31 2kco n ARG 132 CO 0.00 0.00 0.00 0.43 -3.04 0.00 0.00 177.63 175.02