#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 1.14 -0.12 3.03 0.00 -1.26 -4.96 107.32 105.15 2kco s GLY 2 Ca 0.00 -2.36 -0.30 0.00 0.00 0.00 0.00 44.72 42.06 2kco s GLY 2 CO 0.00 2.88 2.10 0.69 0.00 0.00 0.00 173.10 178.77 2kco n PHE 3 N 9.86 2.17 -1.70 1.90 3.72 -1.26 -4.92 117.46 127.24 2kco n PHE 3 Ca 0.40 -0.18 -0.42 0.00 -0.05 0.00 0.00 57.45 57.19 2kco n PHE 3 Cb 0.49 -2.74 -0.03 0.00 -0.94 0.00 0.00 39.48 36.26 2kco n PHE 3 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 2kco s TYR 4 N 6.47 1.33 0.13 1.38 5.04 -1.26 -4.92 117.35 125.52 2kco s TYR 4 Ca 0.96 -0.15 -0.23 0.00 -2.44 0.00 0.00 57.07 55.21 2kco s TYR 4 Cb -0.44 -4.14 -0.01 0.00 0.35 0.00 0.00 41.96 37.71 2kco s TYR 4 CO 0.40 -5.03 1.65 0.37 -1.34 0.00 0.00 175.55 171.60 2kco h GLN 5 N 11.55 -0.25 0.00 4.97 5.75 -2.05 -3.46 115.11 131.62 2kco h GLN 5 Ca -0.46 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 2kco h GLN 5 Cb 1.23 0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.84 2kco h GLN 5 CO 0.95 -0.17 0.00 0.41 -2.65 0.00 0.00 178.83 177.37 2kco n GLY 6 N -1.34 2.53 3.76 2.39 0.00 -1.26 -5.16 105.19 106.11 2kco n GLY 6 Ca -0.03 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.19 4.68 0.33 1.61 0.04 -1.26 -5.04 135.00 134.16 2kco s PRO 7 Ca 0.00 1.65 -0.27 0.00 0.04 0.00 0.00 61.00 62.42 2kco s PRO 7 Cb 0.00 -3.15 -0.09 0.00 0.04 0.00 0.00 34.50 31.29 2kco s PRO 7 CO 0.00 0.30 1.10 0.16 0.04 0.00 0.00 177.00 178.60 2kco s ASP 8 N -1.07 7.02 0.03 6.66 -4.77 -1.26 -5.04 116.67 118.24 2kco s ASP 8 Ca 0.45 2.23 -0.12 0.00 -3.30 0.00 0.00 52.55 51.81 2kco s ASP 8 Cb -0.29 -2.62 -0.06 0.00 -1.09 0.00 0.00 42.92 38.87 2kco s ASP 8 CO 0.36 -0.31 0.39 0.20 0.70 0.00 0.00 175.17 176.51 2kco s ASN 9 N -1.08 6.70 0.42 2.11 0.01 -1.26 -5.08 114.94 116.77 2kco s ASN 9 Ca 0.50 0.85 -0.25 0.00 -0.71 0.00 0.00 52.86 53.25 2kco s ASN 9 Cb -0.29 -2.20 -0.08 0.00 0.41 0.00 0.00 41.25 39.08 2kco s ASN 9 CO 0.38 0.26 1.21 -0.13 -1.51 0.00 0.00 177.10 177.30 2kco s ARG 10 N -1.48 3.95 0.10 -0.60 3.00 -1.26 -5.01 118.95 117.65 2kco s ARG 10 Ca 0.28 1.91 -0.27 0.00 0.00 0.00 0.00 55.73 57.66 2kco s ARG 10 Cb -0.15 -2.63 -0.06 0.00 0.00 0.00 0.00 34.95 32.10 2kco s ARG 10 CO 0.15 -0.43 0.83 0.15 0.00 0.00 0.00 175.30 176.00 2kco s LYS 11 N -2.37 4.59 0.02 3.54 1.02 -1.26 -5.07 119.74 120.20 2kco s LYS 11 Ca 0.59 1.21 -0.02 0.00 0.02 0.00 0.00 55.97 57.77 2kco s LYS 11 Cb -0.32 -3.34 -0.01 0.00 -0.52 0.00 0.00 37.83 33.64 2kco s LYS 11 CO 0.41 0.35 0.02 -1.50 -0.92 0.00 0.00 175.35 173.71 2kco s ILE 12 N -0.39 0.11 0.74 2.17 2.07 -1.26 -5.17 121.20 119.46 2kco s ILE 12 Ca 0.40 -0.89 -0.11 0.00 -1.41 0.00 0.00 60.65 58.64 2kco s ILE 12 Cb -0.22 -0.36 0.04 0.00 0.13 0.00 0.00 42.46 42.04 2kco s ILE 12 CO 0.26 -0.49 1.08 0.28 -1.91 0.00 0.00 174.94 174.16 2kco s THR 13 N -1.55 3.61 0.00 4.00 -1.32 -1.26 -4.94 115.64 114.18 2kco s THR 13 Ca -0.15 0.52 0.00 0.00 -1.21 0.00 0.00 61.69 60.86 2kco s THR 13 Cb -0.09 -3.26 0.00 0.00 -1.51 0.00 0.00 72.50 67.65 2kco s THR 13 CO -0.01 -0.68 0.00 0.61 -2.21 0.00 0.00 174.62 172.33 2kco n GLY 14 N -2.00 0.05 3.16 6.08 0.00 -1.26 -5.04 105.19 106.17 2kco n GLY 14 Ca 0.07 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 2kco n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kco n GLY 15 N -0.49 3.62 3.30 -0.02 0.00 -1.26 -4.87 105.19 105.47 2kco n GLY 15 Ca 0.00 -1.64 -0.14 0.00 0.00 0.00 0.00 46.02 44.24 2kco n GLY 15 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kco s LEU 16 N 2.68 0.49 -0.29 0.99 -0.00 -1.26 -5.17 118.68 116.11 2kco s LEU 16 Ca 0.49 0.53 -0.15 0.00 -0.00 0.00 0.00 54.13 54.99 2kco s LEU 16 Cb 0.08 1.47 0.15 0.00 -0.00 0.00 0.00 46.19 47.89 2kco s LEU 16 CO -0.00 -0.31 0.95 -0.75 -0.00 0.00 0.00 176.35 176.24 2kco s LYS 17 N -0.53 0.36 -0.09 1.48 2.47 -1.26 -5.17 119.74 117.00 2kco s LYS 17 Ca -0.06 0.75 -0.01 0.00 -1.56 0.00 0.00 55.97 55.09 2kco s LYS 17 Cb -0.04 0.28 -0.03 0.00 -1.46 0.00 0.00 37.83 36.58 2kco s LYS 17 CO 0.03 -0.10 -0.04 0.20 0.16 0.00 0.00 175.35 175.61 2kco s GLY 18 N 1.90 1.76 0.28 5.54 0.00 -1.26 -5.13 107.32 110.41 2kco s GLY 18 Ca -0.06 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.82 2kco s GLY 18 CO -0.16 -0.50 0.47 0.54 0.00 0.00 0.00 173.10 173.44 2kco s LYS 19 N -0.58 3.50 0.70 2.90 1.02 -1.26 -5.11 119.74 120.90 2kco s LYS 19 Ca 0.09 -0.39 -0.11 0.00 0.02 0.00 0.00 55.97 55.58 2kco s LYS 19 Cb -0.12 -2.76 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 2kco s LYS 19 CO 0.02 0.28 1.06 -3.38 -0.92 0.00 0.00 175.35 172.41 2kco s HIS 20 N -2.10 3.18 0.45 3.18 -3.43 -1.26 -5.10 115.29 110.21 2kco s HIS 20 Ca 0.39 1.34 0.08 0.00 -0.80 0.00 0.00 55.06 56.07 2kco s HIS 20 Cb -0.10 -2.89 0.02 0.00 -1.43 0.00 0.00 32.58 28.17 2kco s HIS 20 CO 0.32 -1.21 0.55 1.03 -2.00 0.00 0.00 174.74 173.44 2kco s ARG 21 N -5.10 2.63 0.20 -0.38 1.81 -1.26 -5.12 118.95 111.73 2kco s ARG 21 Ca 0.58 -1.43 -0.23 0.00 -1.72 0.00 0.00 55.73 52.93 2kco s ARG 21 Cb -0.13 -2.60 -0.08 0.00 -0.45 0.00 0.00 34.95 31.68 2kco s ARG 21 CO 0.55 -0.38 0.76 -0.51 -0.68 0.00 0.00 175.30 175.04 2kco s ASP 22 N -4.35 7.22 0.07 0.23 1.01 -1.26 -5.08 116.67 114.51 2kco s ASP 22 Ca 0.53 1.55 -0.16 0.00 0.71 0.00 0.00 52.55 55.18 2kco s ASP 22 Cb -0.07 -2.47 -0.06 0.00 1.01 0.00 0.00 42.92 41.33 2kco s ASP 22 CO 0.32 0.10 0.51 -0.54 0.21 0.00 0.00 175.17 175.77 2kco s LYS 23 N -1.61 4.04 -0.15 8.23 3.01 -1.26 -5.03 119.74 126.97 2kco s LYS 23 Ca 0.40 0.56 -0.29 0.00 -1.01 0.00 0.00 55.97 55.63 2kco s LYS 23 Cb -0.20 -3.16 -0.04 0.00 -1.01 0.00 0.00 37.83 33.42 2kco s LYS 23 CO 0.23 0.62 1.72 1.03 0.51 0.00 0.00 175.35 179.46 2kco s ARG 24 N -1.31 3.87 -0.06 1.68 0.52 -1.26 -4.96 118.95 117.43 2kco s ARG 24 Ca 0.29 1.94 -0.30 0.00 -0.52 0.00 0.00 55.73 57.14 2kco s ARG 24 Cb -0.17 -4.07 -0.04 0.00 0.52 0.00 0.00 34.95 31.19 2kco s ARG 24 CO 0.17 -1.21 1.29 0.15 0.02 0.00 0.00 175.30 175.72 2kco s LYS 25 N 4.63 4.30 0.57 3.54 -0.14 -1.26 -5.02 119.74 126.37 2kco s LYS 25 Ca 0.76 1.78 -0.16 0.00 -1.36 0.00 0.00 55.97 56.99 2kco s LYS 25 Cb -0.30 -3.62 -0.05 0.00 -1.68 0.00 0.00 37.83 32.19 2kco s LYS 25 CO 0.31 -0.55 1.04 0.71 -0.76 0.00 0.00 175.35 176.10 2kco s TYR 26 N 2.58 3.09 0.86 3.18 2.02 -1.26 -5.06 117.35 122.76 2kco s TYR 26 Ca 0.59 1.50 -0.12 0.00 -0.37 0.00 0.00 57.07 58.67 2kco s TYR 26 Cb -0.26 -2.96 0.11 0.00 -0.40 0.00 0.00 41.96 38.44 2kco s TYR 26 CO 0.22 -0.94 1.11 -1.83 -1.57 0.00 0.00 175.55 172.54 2kco s GLU 27 N -4.04 1.58 0.17 -0.62 -1.05 -1.26 -5.03 118.70 108.45 2kco s GLU 27 Ca 0.63 0.57 -0.30 0.00 -0.15 0.00 0.00 54.97 55.72 2kco s GLU 27 Cb -0.15 -1.87 -0.07 0.00 -0.44 0.00 0.00 34.13 31.60 2kco s GLU 27 CO 0.35 -1.96 1.02 0.42 0.95 0.00 0.00 175.26 176.04 2kco s ILE 28 N -3.14 4.12 0.00 1.83 1.01 -1.26 -5.07 121.20 118.69 2kco s ILE 28 Ca 0.62 1.87 0.00 0.00 0.00 0.00 0.00 60.65 63.14 2kco s ILE 28 Cb -0.15 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.12 2kco s ILE 28 CO 0.55 0.34 0.00 0.61 0.00 0.00 0.00 174.94 176.44 2kco n GLY 29 N 1.97 -0.75 3.74 6.18 0.00 -1.26 -5.07 105.19 109.99 2kco n GLY 29 Ca 0.01 -1.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.00 6.33 0.82 1.61 0.02 -1.26 -5.11 114.94 116.34 2kco s ASN 30 Ca 0.00 0.38 -0.12 0.00 -1.02 0.00 0.00 52.86 52.10 2kco s ASN 30 Cb 0.00 -2.13 0.09 0.00 0.02 0.00 0.00 41.25 39.22 2kco s ASN 30 CO 0.00 0.16 1.14 -2.16 0.02 0.00 0.00 177.10 176.26 2kco s PRO 31 N 0.29 1.88 0.45 -0.60 0.04 -1.26 -5.04 135.00 130.76 2kco s PRO 31 Ca 0.12 0.33 -0.22 0.00 0.04 0.00 0.00 61.00 61.27 2kco s PRO 31 Cb -0.12 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.39 2kco s PRO 31 CO 0.01 -1.70 0.75 -2.30 0.04 0.00 0.00 177.00 173.81 2kco n PRO 32 N -3.43 0.88 0.00 0.56 -0.02 -1.26 -5.01 135.00 126.71 2kco n PRO 32 Ca 0.07 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2kco n PRO 32 Cb 0.59 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 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 -0.87 0.00 -3.90 3.45 -2.24 -1.26 -5.08 114.28 104.38 2kco n THR 33 Ca 0.11 0.16 -0.09 0.00 -2.27 0.00 0.00 64.05 61.96 2kco n THR 33 Cb 0.41 -0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 68.25 2kco n THR 33 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2kco s PHE 34 N -0.13 0.11 0.23 4.78 -0.71 -1.26 -5.18 117.98 115.82 2kco s PHE 34 Ca 0.00 -0.50 0.07 0.00 -1.04 0.00 0.00 56.93 55.47 2kco s PHE 34 Cb 0.00 0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 42.14 2kco s PHE 34 CO 0.00 -1.03 0.13 0.95 -1.34 0.00 0.00 175.22 173.93 2kco s THR 35 N -3.96 4.20 0.48 -4.49 -4.23 -1.26 -5.13 115.64 101.26 2kco s THR 35 Ca 0.16 -1.44 -0.22 0.00 -1.18 0.00 0.00 61.69 59.01 2kco s THR 35 Cb -0.02 -3.23 -0.07 0.00 1.34 0.00 0.00 72.50 70.52 2kco s THR 35 CO 0.06 -0.29 1.17 0.42 -0.54 0.00 0.00 174.62 175.43 2kco s THR 36 N -2.06 3.07 1.10 3.99 -4.23 -1.26 -5.05 115.64 111.20 2kco s THR 36 Ca 0.32 0.78 -0.13 0.00 -1.18 0.00 0.00 61.69 61.48 2kco s THR 36 Cb -0.08 -3.38 0.25 0.00 1.34 0.00 0.00 72.50 70.63 2kco s THR 36 CO 0.23 -0.04 1.05 -1.48 -0.54 0.00 0.00 174.62 173.85 2kco s LEU 37 N -3.20 1.09 -0.39 4.79 2.34 -1.26 -4.98 118.68 117.07 2kco s LEU 37 Ca 0.66 1.33 0.07 0.00 0.06 0.00 0.00 54.13 56.25 2kco s LEU 37 Cb -0.28 -3.34 0.69 0.00 -0.56 0.00 0.00 46.19 42.69 2kco s LEU 37 CO 0.34 -3.79 1.84 -1.20 -1.06 0.00 0.00 176.35 172.48 2kco n SER 38 N -4.62 4.07 -0.05 1.48 7.64 -1.26 -4.60 113.62 116.27 2kco n SER 38 Ca 0.04 -3.47 -0.14 0.00 1.01 0.00 0.00 58.87 56.30 2kco n SER 38 Cb 0.56 -0.78 -0.08 0.00 -1.01 0.00 0.00 64.21 62.90 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 1.65 0.23 0.00 -0.43 0.00 -2.01 -3.02 119.26 115.67 2kco h ALA 39 Ca 0.46 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kco h ALA 39 Cb 2.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 20.31 2kco h ALA 39 CO 0.90 0.27 0.00 0.39 0.00 0.00 0.00 179.25 180.81 2kco n GLU 40 N -4.37 0.13 0.16 0.00 -0.58 -1.26 -0.98 120.64 113.74 2kco n GLU 40 Ca -0.07 0.14 0.03 0.00 -0.42 0.00 0.00 57.16 56.84 2kco n GLU 40 Cb 0.49 -1.50 0.25 0.00 -0.57 0.00 0.00 31.44 30.11 2kco n GLU 40 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2kco h ASP 41 N 0.00 0.00 0.72 1.62 5.19 -1.86 -1.79 116.42 120.30 2kco h ASP 41 Ca 0.00 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.20 2kco h ASP 41 Cb 0.26 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 2kco h ASP 41 CO 0.00 0.48 -0.98 0.40 -3.12 0.00 0.00 179.24 176.02 2kco h ILE 42 N 0.00 1.56 -0.34 0.35 2.04 -1.11 -2.80 117.51 117.21 2kco h ILE 42 Ca -0.00 -2.93 -0.16 0.00 1.00 0.00 0.00 64.86 62.76 2kco h ILE 42 Cb 1.01 2.67 -0.01 0.00 -0.74 0.00 0.00 36.82 39.75 2kco h ILE 42 CO 0.06 0.85 -0.43 0.03 0.00 0.00 0.00 178.15 178.66 2kco h ARG 43 N 0.06 0.87 -0.32 2.37 -0.00 -1.33 0.00 114.38 116.04 2kco h ARG 43 Ca -0.05 -0.48 -0.06 0.00 -0.50 0.00 0.00 59.98 58.89 2kco h ARG 43 Cb 1.66 0.03 -0.01 0.00 0.00 0.00 0.00 29.97 31.65 2kco h ARG 43 CO 0.15 1.12 -0.05 0.97 0.00 0.00 0.00 179.97 182.16 2kco h ILE 44 N 0.70 1.27 -0.74 2.04 6.09 -1.44 -1.30 117.51 124.13 2kco h ILE 44 Ca 0.05 -1.06 0.11 0.00 -1.37 0.00 0.00 64.86 62.58 2kco h ILE 44 Cb 1.01 1.32 -0.05 0.00 0.47 0.00 0.00 36.82 39.58 2kco h ILE 44 CO 0.10 0.34 0.49 0.50 -3.07 0.00 0.00 178.15 176.51 2kco h LYS 45 N 0.38 0.57 -0.01 2.19 1.63 -1.38 -1.02 116.57 118.94 2kco h LYS 45 Ca 0.08 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.85 2kco h LYS 45 Cb 0.53 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 32.03 2kco h LYS 45 CO 0.03 0.38 -0.01 0.22 -3.45 0.00 0.00 179.45 176.61 2kco h ASP 46 N 0.59 0.02 0.10 4.20 3.58 -0.87 -3.11 116.42 120.94 2kco h ASP 46 Ca 0.35 -0.52 -0.14 0.00 0.42 0.00 0.00 57.03 57.14 2kco h ASP 46 Cb 0.56 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 2kco h ASP 46 CO -0.12 0.54 -0.49 0.08 -2.88 0.00 0.00 179.24 176.37 2kco h ARG 47 N -0.49 0.44 0.00 0.28 0.11 -0.40 -2.75 114.38 111.57 2kco h ARG 47 Ca 0.00 -0.25 0.00 0.00 0.10 0.00 0.00 59.98 59.83 2kco h ARG 47 Cb 0.54 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.63 2kco h ARG 47 CO 0.00 0.84 -0.19 0.00 0.10 0.00 0.00 179.97 180.72 2kco h THR 48 N 0.35 0.00 -2.45 0.08 1.03 -1.36 -3.44 112.91 107.13 2kco h THR 48 Ca 0.02 -0.92 -0.55 0.00 -0.01 0.00 0.00 66.41 64.95 2kco h THR 48 Cb 0.99 1.82 0.00 0.00 -1.07 0.00 0.00 68.15 69.89 2kco h THR 48 CO 0.09 0.00 1.22 -0.22 -0.01 0.00 0.00 175.52 176.59 2kco s LEU 49 N -5.79 4.16 0.00 0.00 2.96 -1.04 -4.95 118.68 114.02 2kco s LEU 49 Ca 0.06 2.26 0.00 0.00 -0.22 0.00 0.00 54.13 56.23 2kco s LEU 49 Cb 0.07 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.23 2kco s LEU 49 CO 0.68 -1.19 0.91 0.61 -1.32 0.00 0.00 176.35 176.04 2kco n GLY 50 N 4.64 -2.49 2.43 7.98 0.00 -1.26 -4.99 105.19 111.49 2kco n GLY 50 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.88 -0.27 3.85 -0.02 0.00 -1.26 -5.04 105.19 101.57 2kco n GLY 51 Ca 0.00 0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 2kco n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kco s ASN 52 N -3.14 6.51 0.46 1.61 4.22 -1.26 -5.07 114.94 118.28 2kco s ASN 52 Ca 0.22 1.49 -0.20 0.00 -2.14 0.00 0.00 52.86 52.24 2kco s ASN 52 Cb -0.03 -2.48 -0.10 0.00 1.28 0.00 0.00 41.25 39.92 2kco s ASN 52 CO 0.40 -0.65 0.97 -0.36 -2.04 0.00 0.00 177.10 175.42 2kco s PHE 53 N -2.75 3.31 -0.19 1.54 0.08 -1.26 -5.03 117.98 113.68 2kco s PHE 53 Ca 0.57 1.57 -0.25 0.00 0.12 0.00 0.00 56.93 58.94 2kco s PHE 53 Cb -0.10 -2.86 -0.01 0.00 -0.57 0.00 0.00 43.02 39.48 2kco s PHE 53 CO 0.37 -0.25 0.84 0.15 -0.10 0.00 0.00 175.22 176.24 2kco s LYS 54 N -3.41 4.26 0.18 0.44 3.01 -1.26 -5.03 119.74 117.94 2kco s LYS 54 Ca 0.62 1.02 -0.30 0.00 -1.01 0.00 0.00 55.97 56.30 2kco s LYS 54 Cb -0.10 -3.60 -0.08 0.00 -1.01 0.00 0.00 37.83 33.04 2kco s LYS 54 CO 0.18 -0.40 1.17 0.08 0.51 0.00 0.00 175.35 176.90 2kco s VAL 55 N 2.41 3.64 -0.20 3.17 1.01 -1.26 -5.04 120.40 124.13 2kco s VAL 55 Ca 0.38 1.39 -0.01 0.00 0.00 0.00 0.00 61.98 63.73 2kco s VAL 55 Cb -0.16 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.34 2kco s VAL 55 CO 0.11 0.23 -0.13 0.00 0.00 0.00 0.00 175.10 175.31 2kco s ARG 56 N -0.27 3.18 0.43 2.72 3.03 -1.26 -5.12 118.95 121.66 2kco s ARG 56 Ca 0.52 -0.73 -0.23 0.00 2.03 0.00 0.00 55.73 57.32 2kco s ARG 56 Cb -0.32 -2.77 -0.09 0.00 -1.03 0.00 0.00 34.95 30.75 2kco s ARG 56 CO 0.36 -0.19 1.07 -1.17 -1.13 0.00 0.00 175.30 174.24 2kco s LEU 57 N 1.34 4.05 0.80 -1.89 2.96 -1.26 -5.04 118.68 119.64 2kco s LEU 57 Ca 0.05 2.06 -0.12 0.00 -0.22 0.00 0.00 54.13 55.90 2kco s LEU 57 Cb -0.14 -4.27 0.08 0.00 0.50 0.00 0.00 46.19 42.36 2kco s LEU 57 CO -0.08 -0.63 1.13 -0.54 -1.32 0.00 0.00 176.35 174.91 2kco s LYS 58 N -2.69 1.87 0.49 1.98 1.02 -1.26 -4.99 119.74 116.16 2kco s LYS 58 Ca 0.61 1.43 -0.22 0.00 0.02 0.00 0.00 55.97 57.80 2kco s LYS 58 Cb -0.22 -1.83 -0.07 0.00 -0.52 0.00 0.00 37.83 35.19 2kco s LYS 58 CO 0.27 -1.97 1.21 0.71 -0.92 0.00 0.00 175.35 174.65 2kco s TYR 59 N -2.60 2.71 0.30 3.18 2.02 -1.26 -4.98 117.35 116.71 2kco s TYR 59 Ca 0.66 1.50 -0.29 0.00 -0.37 0.00 0.00 57.07 58.56 2kco s TYR 59 Cb -0.21 -3.48 -0.10 0.00 -0.40 0.00 0.00 41.96 37.76 2kco s TYR 59 CO 0.53 -1.87 1.45 0.95 -1.57 0.00 0.00 175.55 175.04 2kco s THR 60 N -1.49 2.46 0.23 -0.71 -4.23 -1.26 -4.98 115.64 105.65 2kco s THR 60 Ca 0.66 0.41 -0.30 0.00 -1.18 0.00 0.00 61.69 61.28 2kco s THR 60 Cb -0.31 -3.26 -0.09 0.00 1.34 0.00 0.00 72.50 70.17 2kco s THR 60 CO 0.38 0.08 1.36 0.28 -0.54 0.00 0.00 174.62 176.17 2kco s THR 61 N -0.45 2.97 0.09 3.99 -1.32 -1.26 -4.96 115.64 114.69 2kco s THR 61 Ca 0.57 0.82 0.02 0.00 -1.21 0.00 0.00 61.69 61.88 2kco s THR 61 Cb -0.43 -3.52 -0.04 0.00 -1.51 0.00 0.00 72.50 67.00 2kco s THR 61 CO 0.50 0.13 -0.07 -0.89 -2.21 0.00 0.00 174.62 172.08 2kco s THR 62 N -0.01 0.70 -0.10 5.08 2.01 -1.09 -3.56 115.64 118.66 2kco s THR 62 Ca 0.57 -1.82 0.02 0.00 0.31 0.00 0.00 61.69 60.78 2kco s THR 62 Cb -0.39 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.57 2kco s THR 62 CO 0.41 -0.80 -0.17 0.00 -0.69 0.00 0.00 174.62 173.37 2kco s ALA 63 N -3.28 2.48 -0.64 7.40 0.00 -0.15 -1.50 121.76 126.07 2kco s ALA 63 Ca 0.09 -0.95 -0.10 0.00 0.00 0.00 0.00 51.96 51.00 2kco s ALA 63 Cb 0.03 -1.01 0.16 0.00 0.00 0.00 0.00 23.12 22.31 2kco s ALA 63 CO -0.04 0.34 0.53 1.21 0.00 0.00 0.00 175.76 177.81 2kco s ASN 64 N 0.06 6.02 0.26 0.00 3.04 -0.56 -1.46 114.94 122.30 2kco s ASN 64 Ca -0.07 -2.39 -0.26 0.00 0.04 0.00 0.00 52.86 50.18 2kco s ASN 64 Cb -0.15 -2.07 -0.09 0.00 -1.54 0.00 0.00 41.25 37.40 2kco s ASN 64 CO 0.05 -0.60 0.88 -0.69 -3.04 0.00 0.00 177.10 173.71 2kco s VAL 65 N 0.64 4.25 -0.11 -5.21 1.01 0.46 -0.98 120.40 120.45 2kco s VAL 65 Ca 0.12 1.81 -0.15 0.00 0.00 0.00 0.00 61.98 63.76 2kco s VAL 65 Cb -0.20 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 2kco s VAL 65 CO -0.04 0.32 0.36 -0.22 0.00 0.00 0.00 175.10 175.52 2kco s LEU 66 N -1.65 4.31 -0.40 3.92 1.98 -0.63 0.36 118.68 126.58 2kco s LEU 66 Ca 0.44 0.69 -0.26 0.00 -2.89 0.00 0.00 54.13 52.11 2kco s LEU 66 Cb -0.21 -2.49 0.02 0.00 0.66 0.00 0.00 46.19 44.17 2kco s LEU 66 CO 0.26 0.14 0.95 -1.81 -1.89 0.00 0.00 176.35 174.01 2kco s ASP 67 N 0.06 6.64 0.18 3.68 1.11 -0.69 -3.61 116.67 124.05 2kco s ASP 67 Ca 0.21 0.48 0.17 0.00 0.18 0.00 0.00 52.55 53.59 2kco s ASP 67 Cb -0.14 -2.47 0.80 0.00 1.07 0.00 0.00 42.92 42.17 2kco s ASP 67 CO 0.08 -0.95 1.53 -0.81 1.18 0.00 0.00 175.17 176.20 2kco n PRO 68 N 6.98 0.11 -0.06 8.23 -0.04 -1.26 -0.67 135.00 148.29 2kco n PRO 68 Ca 0.08 0.47 -0.03 0.00 -0.04 0.00 0.00 63.50 63.98 2kco n PRO 68 Cb 0.48 -1.76 -0.01 0.00 -0.04 0.00 0.00 33.50 32.17 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 2.18 0.00 0.00 0.55 0.00 -1.93 -3.41 119.26 116.65 2kco h ALA 69 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2kco h ALA 69 Cb 0.17 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2kco h ALA 69 CO 0.00 0.31 -0.81 0.25 0.00 0.00 0.00 179.25 179.00 2kco n THR 70 N -4.41 0.26 -3.44 0.00 -2.24 -1.23 -4.98 114.28 98.24 2kco n THR 70 Ca -0.04 -0.25 -0.19 0.00 -2.27 0.00 0.00 64.05 61.29 2kco n THR 70 Cb 0.16 0.04 0.08 0.00 -2.10 0.00 0.00 70.33 68.51 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 -2.03 -4.31 -4.05 3.42 2.85 0.15 -5.04 115.26 106.25 2kco n ASN 71 Ca 0.03 -0.54 -0.26 0.00 -0.11 0.00 0.00 54.58 53.70 2kco n ASN 71 Cb 0.44 -4.76 -0.17 0.00 1.24 0.00 0.00 39.78 36.53 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 -3.31 1.29 -0.08 -0.44 -4.23 -1.24 -4.92 115.64 102.71 2kco s THR 72 Ca 0.31 -0.56 -0.24 0.00 -1.18 0.00 0.00 61.69 60.02 2kco s THR 72 Cb -0.14 -1.17 -0.03 0.00 1.34 0.00 0.00 72.50 72.50 2kco s THR 72 CO 0.68 0.39 0.71 0.00 -0.54 0.00 0.00 174.62 175.86 2kco s ALA 73 N 0.69 3.35 0.19 3.99 0.00 -1.26 -1.70 121.76 127.01 2kco s ALA 73 Ca -0.14 0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.02 2kco s ALA 73 Cb -0.16 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 2kco s ALA 73 CO 0.03 -0.16 0.05 -1.59 0.00 0.00 0.00 175.76 174.10 2kco s LYS 74 N 0.93 2.57 -0.26 0.00 -2.85 0.16 -4.93 119.74 115.36 2kco s LYS 74 Ca 0.38 -1.07 0.02 0.00 -1.00 0.00 0.00 55.97 54.30 2kco s LYS 74 Cb -0.18 -2.43 0.06 0.00 -2.06 0.00 0.00 37.83 33.22 2kco s LYS 74 CO 0.18 0.45 -0.08 0.21 0.10 0.00 0.00 175.35 176.21 2kco s LYS 75 N -3.13 1.98 0.09 1.78 2.20 -1.26 -0.41 119.74 120.99 2kco s LYS 75 Ca 0.29 -1.29 0.06 0.00 -0.36 0.00 0.00 55.97 54.67 2kco s LYS 75 Cb -0.09 -2.82 -0.03 0.00 -1.51 0.00 0.00 37.83 33.38 2kco s LYS 75 CO 0.21 -0.62 -0.16 0.14 -0.36 0.00 0.00 175.35 174.56 2kco s VAL 76 N 1.17 1.30 0.72 4.02 -7.23 -0.54 -4.96 120.40 114.88 2kco s VAL 76 Ca -0.06 -1.47 -0.11 0.00 -1.81 0.00 0.00 61.98 58.53 2kco s VAL 76 Cb -0.20 -1.30 0.02 0.00 0.56 0.00 0.00 36.38 35.47 2kco s VAL 76 CO -0.06 -0.24 1.07 -0.75 -0.31 0.00 0.00 175.10 174.82 2kco s LYS 77 N -2.02 2.68 -0.05 4.82 2.20 -1.26 -0.97 119.74 125.13 2kco s LYS 77 Ca 0.03 1.08 -0.24 0.00 -0.36 0.00 0.00 55.97 56.47 2kco s LYS 77 Cb -0.09 -1.95 -0.04 0.00 -1.51 0.00 0.00 37.83 34.24 2kco s LYS 77 CO 0.03 -1.31 0.72 0.42 -0.36 0.00 0.00 175.35 174.85 2kco s ILE 78 N -2.92 5.00 0.00 5.43 1.01 -1.23 -3.16 121.20 125.33 2kco s ILE 78 Ca 0.60 1.49 0.00 0.00 0.00 0.00 0.00 60.65 62.74 2kco s ILE 78 Cb -0.16 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.25 2kco s ILE 78 CO 0.54 0.27 0.00 0.18 0.00 0.00 0.00 174.94 175.92 2kco n LEU 79 N 3.63 0.20 -3.78 2.97 4.77 -0.45 -5.00 117.00 119.34 2kco n LEU 79 Ca -0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.84 2kco n LEU 79 Cb 0.51 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 2kco n LEU 79 CO 0.47 0.00 -0.02 -1.83 -1.33 0.00 0.00 177.39 174.68 2kco s GLU 80 N 0.00 0.64 0.07 3.23 -1.05 -1.19 -4.96 118.70 115.43 2kco s GLU 80 Ca 0.00 -0.25 -0.15 0.00 -0.15 0.00 0.00 54.97 54.42 2kco s GLU 80 Cb 0.00 0.28 -0.06 0.00 -0.44 0.00 0.00 34.13 33.91 2kco s GLU 80 CO 0.00 -0.17 0.49 0.96 0.95 0.00 0.00 175.26 177.49 2kco s ILE 81 N -1.39 4.92 -0.20 1.83 -0.00 -1.26 -0.34 121.20 124.76 2kco s ILE 81 Ca -0.14 0.87 -0.14 0.00 -0.00 0.00 0.00 60.65 61.24 2kco s ILE 81 Cb -0.06 -3.75 -0.08 0.00 -0.00 0.00 0.00 42.46 38.57 2kco s ILE 81 CO 0.03 0.43 -0.32 0.18 -0.00 0.00 0.00 174.94 175.27 2kco n LEU 82 N 1.36 1.81 -4.60 0.37 7.99 -0.55 -4.86 117.00 118.51 2kco n LEU 82 Ca -0.10 0.31 -0.43 0.00 -0.01 0.00 0.00 56.01 55.78 2kco n LEU 82 Cb 0.52 -0.72 -0.03 0.00 -0.11 0.00 0.00 43.42 43.09 2kco n LEU 82 CO 0.40 0.08 0.92 -0.70 -1.51 0.00 0.00 177.39 176.59 2kco s GLU 83 N -2.65 3.79 -0.15 3.23 2.12 -1.25 -4.99 118.70 118.81 2kco s GLU 83 Ca -0.30 0.62 -0.29 0.00 0.36 0.00 0.00 54.97 55.36 2kco s GLU 83 Cb 0.08 -3.85 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 2kco s GLU 83 CO 0.41 -1.17 1.59 0.95 -0.54 0.00 0.00 175.26 176.49 2kco s THR 84 N 4.00 3.73 0.64 -1.70 -4.23 -1.26 -4.11 115.64 112.71 2kco s THR 84 Ca 0.44 0.85 -0.11 0.00 -1.18 0.00 0.00 61.69 61.69 2kco s THR 84 Cb -0.10 -3.65 -0.03 0.00 1.34 0.00 0.00 72.50 70.07 2kco s THR 84 CO 0.25 -0.18 1.04 -2.16 -0.54 0.00 0.00 174.62 173.03 2kco s PRO 85 N 4.28 3.42 0.50 3.99 0.04 -1.26 -4.98 135.00 140.99 2kco s PRO 85 Ca 0.70 0.72 0.28 0.00 0.04 0.00 0.00 61.00 62.74 2kco s PRO 85 Cb -0.28 -2.06 1.24 0.00 0.04 0.00 0.00 34.50 33.44 2kco s PRO 85 CO 0.27 -0.69 1.96 0.00 0.04 0.00 0.00 177.00 178.58 2kco h ALA 86 N -0.41 1.10 -0.46 8.56 0.00 -2.01 -3.19 119.26 122.85 2kco h ALA 86 Ca -0.44 -0.13 -0.72 0.00 0.00 0.00 0.00 54.91 53.62 2kco h ALA 86 Cb 1.20 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 2kco h ALA 86 CO 0.62 0.18 2.83 0.27 0.00 0.00 0.00 179.25 183.15 2kco n ASN 87 N -3.41 8.12 -0.03 0.00 6.94 -1.26 -4.78 115.26 120.84 2kco n ASN 87 Ca -0.01 -2.97 -0.08 0.00 -0.02 0.00 0.00 54.58 51.50 2kco n ASN 87 Cb 0.33 -1.43 -0.02 0.00 -2.36 0.00 0.00 39.78 36.30 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 4.77 -0.13 0.00 -3.83 -0.00 -1.95 -1.95 116.57 113.48 2kco h LYS 88 Ca 0.74 0.01 -0.02 0.00 -0.00 0.00 0.00 60.65 61.38 2kco h LYS 88 Cb 0.31 0.03 -0.00 0.00 -0.00 0.00 0.00 32.23 32.57 2kco h LYS 88 CO 1.58 -0.09 -0.10 1.05 -0.00 0.00 0.00 179.45 181.90 2kco h GLU 89 N -0.13 0.00 0.00 0.07 9.09 -1.92 -1.62 114.58 120.06 2kco h GLU 89 Ca 0.11 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.52 2kco h GLU 89 Cb 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.40 2kco h GLU 89 CO -0.27 0.10 -0.00 -0.07 0.05 0.00 0.00 179.01 178.81 2kco h LEU 90 N 0.00 -0.00 -2.15 3.06 3.38 -1.76 -3.34 115.31 114.50 2kco h LEU 90 Ca -0.00 -0.88 0.07 0.00 0.09 0.00 0.00 57.88 57.16 2kco h LEU 90 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2kco h LEU 90 CO 0.01 0.94 0.26 0.00 0.09 0.00 0.00 178.44 179.74 2kco h ALA 91 N -0.10 1.92 -0.74 1.53 0.00 -0.63 -0.11 119.26 121.13 2kco h ALA 91 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2kco h ALA 91 Cb 0.89 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2kco h ALA 91 CO 0.00 -0.39 0.30 0.00 0.00 0.00 0.00 179.25 179.17 2kco h ARG 92 N 0.00 1.11 0.00 0.00 3.08 -1.43 -2.43 114.38 114.70 2kco h ARG 92 Ca 0.12 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 2kco h ARG 92 Cb 0.64 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 2kco h ARG 92 CO -0.00 0.90 -0.11 0.00 -1.07 0.00 0.00 179.97 179.70 2kco h ARG 93 N 1.07 0.00 0.00 0.04 3.08 -1.21 -3.47 114.38 113.89 2kco h ARG 93 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2kco h ARG 93 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2kco h ARG 93 CO -0.02 0.11 0.00 0.41 -1.07 0.00 0.00 179.97 179.39 2kco n GLY 94 N 0.54 0.68 3.57 0.04 0.00 -0.80 -4.86 105.19 104.36 2kco n GLY 94 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 4.04 0.04 -0.61 -1.09 -0.25 -4.87 121.20 116.46 2kco s ILE 95 Ca 0.00 -1.37 -0.04 0.00 -2.23 0.00 0.00 60.65 57.02 2kco s ILE 95 Cb 0.00 -5.13 -0.04 0.00 -1.58 0.00 0.00 42.46 35.71 2kco s ILE 95 CO 0.00 -1.98 0.25 -0.63 -1.23 0.00 0.00 174.94 171.35 2kco s ILE 96 N 4.55 5.34 0.10 2.92 1.01 -1.26 -1.89 121.20 131.96 2kco s ILE 96 Ca 0.50 -0.08 -0.08 0.00 0.00 0.00 0.00 60.65 60.99 2kco s ILE 96 Cb 0.02 -3.58 -0.06 0.00 0.01 0.00 0.00 42.46 38.85 2kco s ILE 96 CO -0.01 0.25 0.38 -0.51 0.00 0.00 0.00 174.94 175.05 2kco s ILE 97 N -1.41 5.13 -0.05 2.92 2.07 -1.26 -4.13 121.20 124.47 2kco s ILE 97 Ca 0.31 0.28 -0.35 0.00 -1.41 0.00 0.00 60.65 59.49 2kco s ILE 97 Cb -0.13 -3.63 -0.13 0.00 0.13 0.00 0.00 42.46 38.71 2kco s ILE 97 CO 0.21 0.19 1.80 -1.14 -1.91 0.00 0.00 174.94 174.09 2kco n ARG 98 N 0.60 2.06 0.00 3.50 0.00 -1.26 -2.52 116.66 119.04 2kco n ARG 98 Ca -0.06 0.75 0.00 0.00 -0.00 0.00 0.00 57.85 58.54 2kco n ARG 98 Cb 0.52 -2.56 0.00 0.00 0.00 0.00 0.00 32.46 30.42 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 4.14 2.33 3.79 5.14 0.00 -0.13 -5.03 105.19 115.43 2kco n GLY 99 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.13 3.49 0.21 4.61 0.00 -1.05 -4.80 121.76 122.09 2kco s ALA 100 Ca 0.00 0.26 -0.29 0.00 0.00 0.00 0.00 51.96 51.92 2kco s ALA 100 Cb 0.00 -2.86 -0.08 0.00 0.00 0.00 0.00 23.12 20.18 2kco s ALA 100 CO 0.00 0.32 0.91 0.15 0.00 0.00 0.00 175.76 177.13 2kco s LYS 101 N -1.08 4.78 0.13 0.00 3.01 -1.26 -2.10 119.74 123.22 2kco s LYS 101 Ca 0.34 1.41 0.05 0.00 -1.01 0.00 0.00 55.97 56.76 2kco s LYS 101 Cb -0.22 -3.29 -0.04 0.00 -1.01 0.00 0.00 37.83 33.27 2kco s LYS 101 CO 0.24 0.49 -0.12 -1.50 0.51 0.00 0.00 175.35 174.97 2kco s ILE 102 N -1.01 1.22 -0.13 2.17 2.07 -0.08 -1.49 121.20 123.95 2kco s ILE 102 Ca 0.41 -1.88 -0.00 0.00 -1.41 0.00 0.00 60.65 57.77 2kco s ILE 102 Cb -0.25 -1.66 -0.01 0.00 0.13 0.00 0.00 42.46 40.66 2kco s ILE 102 CO 0.30 -0.59 -0.13 -0.13 -1.91 0.00 0.00 174.94 172.48 2kco s ARG 103 N -3.20 3.37 0.55 3.50 0.52 0.54 -1.11 118.95 123.12 2kco s ARG 103 Ca 0.12 -0.69 0.05 0.00 -0.52 0.00 0.00 55.73 54.70 2kco s ARG 103 Cb -0.01 -2.64 0.04 0.00 0.52 0.00 0.00 34.95 32.87 2kco s ARG 103 CO 0.02 0.19 0.40 0.95 0.02 0.00 0.00 175.30 176.88 2kco s THR 104 N 0.40 1.57 0.10 0.02 -4.23 -0.33 -1.34 115.64 111.82 2kco s THR 104 Ca -0.10 -1.51 0.33 0.00 -1.18 0.00 0.00 61.69 59.23 2kco s THR 104 Cb -0.16 -2.08 0.36 0.00 1.34 0.00 0.00 72.50 71.97 2kco s THR 104 CO 0.05 0.00 2.00 -0.33 -0.54 0.00 0.00 174.62 175.80 2kco h GLU 105 N 0.74 0.00 0.00 3.99 5.08 -1.84 -3.27 114.58 119.27 2kco h GLU 105 Ca -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2kco h GLU 105 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2kco h GLU 105 CO 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.58 2kco n ALA 106 N -1.99 0.00 -3.00 3.43 0.00 -1.26 -5.09 120.51 112.60 2kco n ALA 106 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2kco n ALA 106 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 2kco n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kco n GLY 107 N 1.98 3.41 3.75 0.00 0.00 -1.24 -5.14 105.19 107.95 2kco n GLY 107 Ca 0.00 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 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 4.48 0.16 0.99 2.96 -1.26 -1.19 118.68 124.82 2kco s LEU 108 Ca 0.00 2.30 -0.01 0.00 -0.22 0.00 0.00 54.13 56.20 2kco s LEU 108 Cb 0.00 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.03 2kco s LEU 108 CO 0.00 -0.32 0.08 0.00 -1.32 0.00 0.00 176.35 174.79 2kco s ALA 109 N -0.50 1.02 -0.10 5.97 0.00 -0.27 -0.64 121.76 127.23 2kco s ALA 109 Ca 0.50 -1.58 0.02 0.00 0.00 0.00 0.00 51.96 50.90 2kco s ALA 109 Cb -0.33 1.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.85 2kco s ALA 109 CO 0.40 -0.52 -0.16 0.54 0.00 0.00 0.00 175.76 176.02 2kco s VAL 110 N -4.08 2.84 -0.21 0.00 0.11 -0.26 -0.90 120.40 117.90 2kco s VAL 110 Ca 0.30 -0.76 -0.29 0.00 -2.93 0.00 0.00 61.98 58.31 2kco s VAL 110 Cb 0.07 -2.15 -0.03 0.00 -1.53 0.00 0.00 36.38 32.74 2kco s VAL 110 CO 0.06 0.55 1.63 0.68 -3.33 0.00 0.00 175.10 174.69 2kco s VAL 111 N 0.06 3.68 -0.90 2.04 -7.23 -0.89 -0.79 120.40 116.36 2kco s VAL 111 Ca -0.06 0.77 0.16 0.00 -1.81 0.00 0.00 61.98 61.04 2kco s VAL 111 Cb -0.15 -3.68 0.58 0.00 0.56 0.00 0.00 36.38 33.69 2kco s VAL 111 CO 0.05 -0.28 1.49 0.35 -0.31 0.00 0.00 175.10 176.41 2kco n THR 112 N 6.37 1.71 -3.63 5.32 -2.24 0.03 -0.95 114.28 120.88 2kco n THR 112 Ca 0.19 -1.29 -0.10 0.00 -2.27 0.00 0.00 64.05 60.58 2kco n THR 112 Cb 0.45 0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.15 -0.26 0.78 3.42 0.15 -0.88 -4.95 113.70 110.81 2kco s SER 113 Ca 0.42 -0.31 -0.11 0.00 0.70 0.00 0.00 55.95 56.65 2kco s SER 113 Cb 0.28 0.49 0.06 0.00 -1.71 0.00 0.00 66.02 65.14 2kco s SER 113 CO 0.19 -0.88 1.08 0.00 1.20 0.00 0.00 173.24 174.84 2kco s ARG 114 N -3.81 2.23 -0.04 5.44 1.04 -1.26 -4.30 118.95 118.25 2kco s ARG 114 Ca 0.03 0.83 -0.34 0.00 -1.04 0.00 0.00 55.73 55.21 2kco s ARG 114 Cb 0.01 -1.92 -0.12 0.00 -2.04 0.00 0.00 34.95 30.88 2kco s ARG 114 CO -0.11 -1.57 1.80 -2.30 -0.04 0.00 0.00 175.30 173.08 2kco n PRO 115 N -3.43 2.09 -1.46 3.89 -0.02 -1.26 -4.43 135.00 130.38 2kco n PRO 115 Ca 0.07 0.76 -0.29 0.00 -2.02 0.00 0.00 63.50 62.02 2kco n PRO 115 Cb 0.55 -2.58 0.12 0.00 -0.02 0.00 0.00 33.50 31.57 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 3.30 1.60 0.56 -1.23 0.00 -0.54 -4.95 107.32 106.06 2kco s GLY 116 Ca 0.90 -0.29 0.33 0.00 0.00 0.00 0.00 44.72 45.66 2kco s GLY 116 CO 0.49 0.20 2.11 1.46 0.00 0.00 0.00 173.10 177.36 2kco h GLN 117 N -1.35 0.00 0.00 2.90 1.08 -1.95 -1.17 115.11 114.62 2kco h GLN 117 Ca -0.49 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 2kco h GLN 117 Cb 1.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 2kco h GLN 117 CO 0.59 0.06 0.00 -0.25 -0.95 0.00 0.00 178.83 178.28 2kco n ASP 118 N -3.32 0.00 -0.03 1.46 8.00 -1.26 -4.88 116.55 116.52 2kco n ASP 118 Ca -0.01 0.18 -0.00 0.00 0.71 0.00 0.00 54.79 55.66 2kco n ASP 118 Cb 0.23 -0.37 -0.00 0.00 -0.02 0.00 0.00 41.12 40.96 2kco n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kco n GLY 119 N 0.65 0.40 3.32 0.44 0.00 -0.44 -4.93 105.19 104.63 2kco n GLY 119 Ca 0.08 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.01 3.17 -0.29 1.61 1.01 -1.25 -2.68 120.40 119.96 2kco s VAL 120 Ca 0.00 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 2kco s VAL 120 Cb 0.00 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 2kco s VAL 120 CO 0.00 0.47 0.10 -0.63 0.00 0.00 0.00 175.10 175.04 2kco s ILE 121 N 1.01 4.26 0.17 2.22 1.09 -0.56 -1.47 121.20 127.92 2kco s ILE 121 Ca -0.01 -0.45 -0.30 0.00 -1.10 0.00 0.00 60.65 58.79 2kco s ILE 121 Cb -0.15 -3.13 -0.08 0.00 -1.06 0.00 0.00 42.46 38.05 2kco s ILE 121 CO -0.01 0.15 1.24 0.20 -0.10 0.00 0.00 174.94 176.42 2kco s ASN 122 N 1.57 7.03 0.28 3.58 0.01 -1.26 -1.49 114.94 124.65 2kco s ASN 122 Ca 0.04 2.25 0.03 0.00 -0.71 0.00 0.00 52.86 54.47 2kco s ASN 122 Cb -0.16 -2.60 -0.06 0.00 0.41 0.00 0.00 41.25 38.84 2kco s ASN 122 CO 0.04 -0.44 0.05 0.00 -1.51 0.00 0.00 177.10 175.25 2kco s ALA 123 N 0.19 1.99 -0.07 0.60 0.00 -0.16 -0.79 121.76 123.52 2kco s ALA 123 Ca 0.55 -1.91 0.02 0.00 0.00 0.00 0.00 51.96 50.62 2kco s ALA 123 Cb -0.33 0.75 0.01 0.00 0.00 0.00 0.00 23.12 23.55 2kco s ALA 123 CO 0.36 -0.34 -0.13 0.08 0.00 0.00 0.00 175.76 175.72 2kco s VAL 124 N -3.49 1.21 0.08 0.00 1.01 0.03 -1.60 120.40 117.64 2kco s VAL 124 Ca 0.35 -0.51 -0.31 0.00 0.00 0.00 0.00 61.98 61.51 2kco s VAL 124 Cb 0.08 -1.11 -0.09 0.00 0.00 0.00 0.00 36.38 35.26 2kco s VAL 124 CO 0.13 0.37 1.79 -0.76 0.00 0.00 0.00 175.10 176.63 2kco s LEU 125 N 0.73 4.39 -0.14 3.92 1.43 -1.24 -1.11 118.68 126.67 2kco s LEU 125 Ca -0.13 2.62 0.01 0.00 -1.03 0.00 0.00 54.13 55.60 2kco s LEU 125 Cb -0.16 -3.56 0.21 0.00 0.03 0.00 0.00 46.19 42.72 2kco s LEU 125 CO 0.03 -0.97 1.27 0.18 0.23 0.00 0.00 176.35 177.09 2kco n LEU 126 N 6.13 4.10 0.19 1.79 4.77 0.18 -4.23 117.00 129.93 2kco n LEU 126 Ca 0.18 -2.12 0.16 0.00 -0.03 0.00 0.00 56.01 54.20 2kco n LEU 126 Cb 0.40 -0.60 0.79 0.00 -2.33 0.00 0.00 43.42 41.67 2kco n LEU 126 CO 0.65 0.66 1.14 0.11 -1.33 0.00 0.00 177.39 178.62 2kco h LYS 127 N 0.34 0.00 -6.15 3.23 1.57 -1.91 -3.39 116.57 110.27 2kco h LYS 127 Ca 0.19 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.39 2kco h LYS 127 Cb 1.56 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.86 2kco h LYS 127 CO 0.34 0.00 1.35 0.54 -0.57 0.00 0.00 179.45 181.11 2kco s ASN 128 N -6.03 5.81 0.58 0.86 2.20 -1.26 -4.98 114.94 112.13 2kco s ASN 128 Ca -0.05 1.80 -0.16 0.00 -0.94 0.00 0.00 52.86 53.50 2kco s ASN 128 Cb 0.16 -2.52 -0.04 0.00 -2.00 0.00 0.00 41.25 36.85 2kco s ASN 128 CO 0.59 -1.69 1.06 -1.83 -2.94 0.00 0.00 177.10 172.29 2kco s GLU 129 N 5.71 3.34 0.22 3.55 -1.05 -1.26 -4.97 118.70 124.24 2kco s GLU 129 Ca 0.90 1.25 -0.01 0.00 -0.15 0.00 0.00 54.97 56.96 2kco s GLU 129 Cb -0.30 -2.03 0.22 0.00 -0.44 0.00 0.00 34.13 31.57 2kco s GLU 129 CO 0.35 -0.80 1.59 1.03 0.95 0.00 0.00 175.26 178.37 2kco h SER 130 N 0.56 0.55 -4.89 0.83 0.87 -1.93 -3.45 113.55 106.09 2kco h SER 130 Ca -0.47 -0.26 -0.12 0.00 -1.23 0.00 0.00 61.79 59.71 2kco h SER 130 Cb 1.22 -0.16 -0.20 0.00 -0.44 0.00 0.00 62.40 62.82 2kco h SER 130 CO 0.57 0.92 -0.30 0.00 -0.53 0.00 0.00 176.83 177.50 2kco s GLN 131 N -4.17 0.63 -0.28 2.24 -2.07 -1.26 -5.15 119.66 109.60 2kco s GLN 131 Ca -0.07 -0.16 -0.01 0.00 -1.82 0.00 0.00 55.36 53.30 2kco s GLN 131 Cb 0.12 0.28 0.17 0.00 -1.09 0.00 0.00 33.01 32.49 2kco s GLN 131 CO 0.82 -0.17 0.51 0.50 -1.32 0.00 0.00 175.29 175.64 2kco s ARG 132 N -1.21 0.48 0.00 9.60 6.06 -1.26 -5.24 118.95 127.38 2kco s ARG 132 Ca -0.13 0.76 0.00 0.00 -2.50 0.00 0.00 55.73 53.86 2kco s ARG 132 Cb -0.05 0.13 0.00 0.00 0.06 0.00 0.00 34.95 35.09 2kco s ARG 132 CO 0.04 -0.69 0.00 0.43 -2.50 0.00 0.00 175.30 172.58