#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 1.74 0.10 -5.12 0.00 -1.26 -5.13 107.32 97.65 2kco s GLY 2 Ca 0.00 -1.25 0.05 0.00 0.00 0.00 0.00 44.72 43.52 2kco s GLY 2 CO 0.00 -0.70 -0.12 -1.36 0.00 0.00 0.00 173.10 170.92 2kco s PHE 3 N -3.38 1.21 -0.92 1.90 0.08 -1.26 -5.10 117.98 110.51 2kco s PHE 3 Ca 0.66 -0.58 -0.19 0.00 0.12 0.00 0.00 56.93 56.94 2kco s PHE 3 Cb -0.07 -0.65 0.12 0.00 -0.57 0.00 0.00 43.02 41.85 2kco s PHE 3 CO 0.47 0.07 1.15 0.71 -0.10 0.00 0.00 175.22 177.51 2kco s TYR 4 N -2.09 3.04 -0.24 0.36 2.02 -1.26 -5.01 117.35 114.16 2kco s TYR 4 Ca 0.05 -1.30 -0.23 0.00 -0.37 0.00 0.00 57.07 55.22 2kco s TYR 4 Cb -0.05 -4.32 -0.01 0.00 -0.40 0.00 0.00 41.96 37.18 2kco s TYR 4 CO 0.02 -1.54 0.75 -1.14 -1.57 0.00 0.00 175.55 172.07 2kco s GLN 5 N 2.96 4.16 0.00 -0.62 -0.44 -1.26 -4.98 119.66 119.48 2kco s GLN 5 Ca 0.33 0.78 0.00 0.00 -2.50 0.00 0.00 55.36 53.98 2kco s GLN 5 Cb -0.05 -3.64 0.00 0.00 -1.64 0.00 0.00 33.01 27.68 2kco s GLN 5 CO -0.09 -0.46 0.00 0.41 0.50 0.00 0.00 175.29 175.65 2kco n GLY 6 N 3.90 3.77 3.43 2.59 0.00 -1.26 -5.10 105.19 112.52 2kco n GLY 6 Ca 0.03 -0.17 -0.51 0.00 0.00 0.00 0.00 46.02 45.38 2kco n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kco n PRO 7 N -0.75 0.96 -3.68 1.61 -0.02 -1.26 -4.92 135.00 126.93 2kco n PRO 7 Ca 0.00 0.25 -0.30 0.00 -2.02 0.00 0.00 63.50 61.43 2kco n PRO 7 Cb 0.00 -2.39 -0.14 0.00 -0.02 0.00 0.00 33.50 30.95 2kco n PRO 7 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2kco s ASP 8 N 7.44 3.79 0.00 2.55 2.15 -1.26 -4.88 116.67 126.46 2kco s ASP 8 Ca 1.11 -1.88 0.00 0.00 0.43 0.00 0.00 52.55 52.20 2kco s ASP 8 Cb -0.90 -0.80 0.00 0.00 -0.30 0.00 0.00 42.92 40.92 2kco s ASP 8 CO 0.49 -0.37 0.00 0.59 -0.17 0.00 0.00 175.17 175.71 2kco n ASN 9 N 4.51 -3.76 -4.62 -0.34 3.02 -1.26 -4.95 115.26 107.85 2kco n ASN 9 Ca 0.01 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.14 2kco n ASN 9 Cb 0.40 -2.52 -0.03 0.00 -0.61 0.00 0.00 39.78 37.02 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 -1.30 3.98 0.10 3.52 3.52 -1.26 -5.04 118.95 122.48 2kco s ARG 10 Ca 0.00 0.81 0.05 0.00 -0.13 0.00 0.00 55.73 56.46 2kco s ARG 10 Cb 0.00 -3.75 -0.04 0.00 -1.56 0.00 0.00 34.95 29.60 2kco s ARG 10 CO 0.00 -0.84 -0.02 0.15 -0.81 0.00 0.00 175.30 173.78 2kco s LYS 11 N 3.39 2.46 0.39 5.12 1.02 -1.26 -5.12 119.74 125.75 2kco s LYS 11 Ca 0.40 -0.90 -0.23 0.00 0.02 0.00 0.00 55.97 55.26 2kco s LYS 11 Cb -0.13 -2.48 -0.10 0.00 -0.52 0.00 0.00 37.83 34.60 2kco s LYS 11 CO 0.15 0.53 0.96 0.96 -0.92 0.00 0.00 175.35 177.02 2kco s ILE 12 N -1.34 4.26 -0.06 2.17 -4.36 -1.26 -5.09 121.20 115.52 2kco s ILE 12 Ca 0.25 1.60 0.00 0.00 -0.26 0.00 0.00 60.65 62.24 2kco s ILE 12 Cb -0.11 -3.76 0.02 0.00 1.25 0.00 0.00 42.46 39.86 2kco s ILE 12 CO 0.18 -0.12 -0.05 0.42 0.24 0.00 0.00 174.94 175.61 2kco s THR 13 N -1.92 0.62 0.00 8.37 -4.23 -1.26 -5.06 115.64 112.16 2kco s THR 13 Ca 0.57 -0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.96 2kco s THR 13 Cb -0.14 -0.66 0.00 0.00 1.34 0.00 0.00 72.50 73.04 2kco s THR 13 CO 0.18 0.26 0.00 0.61 -0.54 0.00 0.00 174.62 175.14 2kco n GLY 14 N 4.36 -0.85 2.48 3.99 0.00 -1.26 -5.03 105.19 108.89 2kco n GLY 14 Ca -0.19 0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 5.03 0.08 -0.02 0.00 -1.26 -4.50 105.19 104.53 2kco n GLY 15 Ca 0.00 -2.02 -0.08 0.00 0.00 0.00 0.00 46.02 43.92 2kco n GLY 15 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kco h LEU 16 N 5.17 0.08 -8.92 0.99 -0.00 -1.97 -3.42 115.31 107.24 2kco h LEU 16 Ca 0.63 -0.08 -0.62 0.00 -0.00 0.00 0.00 57.88 57.81 2kco h LEU 16 Cb 0.40 -0.03 -0.13 0.00 -0.00 0.00 0.00 40.66 40.90 2kco h LEU 16 CO 1.33 1.00 0.02 -0.75 -0.00 0.00 0.00 178.44 180.04 2kco s LYS 17 N -2.88 3.97 -0.65 1.13 2.47 -1.26 -5.00 119.74 117.52 2kco s LYS 17 Ca -0.00 0.25 0.00 0.00 -1.56 0.00 0.00 55.97 54.66 2kco s LYS 17 Cb 0.10 -3.69 0.41 0.00 -1.46 0.00 0.00 37.83 33.19 2kco s LYS 17 CO 0.82 -0.44 1.76 0.41 0.16 0.00 0.00 175.35 178.06 2kco n GLY 18 N 4.45 5.83 3.57 5.54 0.00 -1.26 -4.98 105.19 118.34 2kco n GLY 18 Ca -0.03 -2.51 -0.42 0.00 0.00 0.00 0.00 46.02 43.06 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 -3.85 3.47 -0.11 1.61 -0.14 -1.26 -5.02 119.74 114.45 2kco s LYS 19 Ca 0.55 0.13 -0.02 0.00 -1.36 0.00 0.00 55.97 55.27 2kco s LYS 19 Cb 0.45 -4.02 -0.03 0.00 -1.68 0.00 0.00 37.83 32.55 2kco s LYS 19 CO -0.20 -1.63 -0.01 -1.01 -0.76 0.00 0.00 175.35 171.74 2kco s HIS 20 N 4.70 3.11 0.37 3.18 3.76 -1.26 -5.11 115.29 124.04 2kco s HIS 20 Ca 0.40 0.05 -0.26 0.00 -0.15 0.00 0.00 55.06 55.09 2kco s HIS 20 Cb -0.09 -1.84 -0.09 0.00 1.11 0.00 0.00 32.58 31.67 2kco s HIS 20 CO 0.24 0.30 1.19 1.03 -0.85 0.00 0.00 174.74 176.65 2kco s ARG 21 N -0.47 4.17 0.19 1.40 1.81 -1.26 -5.02 118.95 119.77 2kco s ARG 21 Ca 0.08 1.90 -0.31 0.00 -1.72 0.00 0.00 55.73 55.69 2kco s ARG 21 Cb -0.12 -2.80 -0.09 0.00 -0.45 0.00 0.00 34.95 31.49 2kco s ARG 21 CO 0.02 -0.24 1.42 -0.51 -0.68 0.00 0.00 175.30 175.31 2kco s ASP 22 N -0.99 6.74 0.24 0.23 1.11 -1.26 -5.03 116.67 117.71 2kco s ASP 22 Ca 0.54 2.51 0.07 0.00 0.18 0.00 0.00 52.55 55.86 2kco s ASP 22 Cb -0.32 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.02 2kco s ASP 22 CO 0.41 -0.67 0.13 -0.54 1.18 0.00 0.00 175.17 175.68 2kco s LYS 23 N 0.30 2.73 0.00 8.23 -0.14 -1.26 -5.02 119.74 124.58 2kco s LYS 23 Ca 0.62 -1.13 0.31 0.00 -1.36 0.00 0.00 55.97 54.41 2kco s LYS 23 Cb -0.40 -2.46 1.68 0.00 -1.68 0.00 0.00 37.83 34.97 2kco s LYS 23 CO 0.37 0.41 2.11 2.89 -0.76 0.00 0.00 175.35 180.36 2kco n ARG 24 N -0.94 0.91 -1.88 1.68 1.85 -1.26 -4.83 116.66 112.19 2kco n ARG 24 Ca -0.08 -0.11 -0.43 0.00 -1.00 0.00 0.00 57.85 56.23 2kco n ARG 24 Cb 0.58 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.46 2kco n ARG 24 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2kco s LYS 25 N -2.17 3.54 -1.39 2.89 1.02 -1.26 -4.91 119.74 117.46 2kco s LYS 25 Ca 0.41 1.85 -0.14 0.00 0.02 0.00 0.00 55.97 58.11 2kco s LYS 25 Cb 0.21 -4.19 0.07 0.00 -0.52 0.00 0.00 37.83 33.41 2kco s LYS 25 CO 0.40 -1.62 2.05 2.48 -0.92 0.00 0.00 175.35 177.75 2kco n TYR 26 N 9.70 3.66 -2.19 3.18 4.11 -1.26 -4.95 117.16 129.41 2kco n TYR 26 Ca 0.23 -2.94 -0.40 0.00 -0.00 0.00 0.00 57.90 54.80 2kco n TYR 26 Cb 0.45 -2.44 -0.03 0.00 -0.00 0.00 0.00 39.34 37.32 2kco n TYR 26 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 2kco s GLU 27 N 2.75 2.85 -1.06 -3.48 2.02 -1.26 -4.93 118.70 115.58 2kco s GLU 27 Ca 0.46 0.44 -0.21 0.00 0.02 0.00 0.00 54.97 55.69 2kco s GLU 27 Cb 0.11 -4.31 0.08 0.00 0.10 0.00 0.00 34.13 30.11 2kco s GLU 27 CO -0.04 -2.48 1.44 0.42 0.02 0.00 0.00 175.26 174.62 2kco s ILE 28 N 7.93 4.17 -0.26 -1.63 1.01 -1.26 -4.74 121.20 126.41 2kco s ILE 28 Ca 0.59 -1.22 0.22 0.00 0.00 0.00 0.00 60.65 60.24 2kco s ILE 28 Cb -0.12 -5.02 0.06 0.00 0.01 0.00 0.00 42.46 37.38 2kco s ILE 28 CO 0.20 -1.86 1.15 1.23 0.00 0.00 0.00 174.94 175.66 2kco h GLY 29 N 12.14 0.00 -4.50 6.18 0.00 -2.03 -3.46 103.07 111.39 2kco h GLY 29 Ca 0.24 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 47.03 2kco h GLY 29 CO 1.36 0.00 0.50 -1.31 0.00 0.00 0.00 176.54 177.10 2kco s ASN 30 N -5.60 7.19 0.74 0.19 -0.87 -1.26 -5.06 114.94 110.27 2kco s ASN 30 Ca 0.01 1.83 -0.11 0.00 -1.57 0.00 0.00 52.86 53.02 2kco s ASN 30 Cb 0.08 -2.57 0.03 0.00 -0.02 0.00 0.00 41.25 38.78 2kco s ASN 30 CO 0.77 -0.40 1.07 -2.16 -2.57 0.00 0.00 177.10 173.81 2kco s PRO 31 N 1.23 2.57 -1.05 -0.60 0.04 -1.26 -4.92 135.00 131.01 2kco s PRO 31 Ca 0.55 1.01 -0.24 0.00 0.04 0.00 0.00 61.00 62.36 2kco s PRO 31 Cb -0.25 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.25 2kco s PRO 31 CO 0.27 -1.38 2.00 -1.25 0.04 0.00 0.00 177.00 176.69 2kco s PRO 32 N -5.00 2.27 0.26 0.56 0.04 -1.26 -4.94 135.00 126.92 2kco s PRO 32 Ca 0.60 -0.65 -0.03 0.00 0.04 0.00 0.00 61.00 60.96 2kco s PRO 32 Cb -0.15 -5.11 -0.05 0.00 0.04 0.00 0.00 34.50 29.23 2kco s PRO 32 CO 0.55 -4.03 0.48 0.95 0.04 0.00 0.00 177.00 175.00 2kco s THR 33 N 11.82 5.11 -0.74 1.26 -4.23 -1.26 -5.01 115.64 122.58 2kco s THR 33 Ca 0.73 -0.17 -0.26 0.00 -1.18 0.00 0.00 61.69 60.81 2kco s THR 33 Cb -0.04 -3.74 -0.05 0.00 1.34 0.00 0.00 72.50 70.00 2kco s THR 33 CO 0.09 -0.28 2.04 -0.36 -0.54 0.00 0.00 174.62 175.57 2kco s PHE 34 N -2.01 1.58 -0.32 3.99 0.40 -1.26 -4.94 117.98 115.41 2kco s PHE 34 Ca 0.41 0.99 -0.14 0.00 -0.60 0.00 0.00 56.93 57.59 2kco s PHE 34 Cb -0.11 -3.92 -0.02 0.00 0.51 0.00 0.00 43.02 39.49 2kco s PHE 34 CO 0.30 -1.99 0.33 0.99 0.70 0.00 0.00 175.22 175.55 2kco s THR 35 N 10.70 5.20 0.51 0.64 2.01 -1.26 -5.09 115.64 128.35 2kco s THR 35 Ca 0.76 0.12 0.07 0.00 0.31 0.00 0.00 61.69 62.94 2kco s THR 35 Cb -0.11 -3.76 0.05 0.00 0.01 0.00 0.00 72.50 68.69 2kco s THR 35 CO 0.10 -0.01 0.70 0.42 -0.69 0.00 0.00 174.62 175.15 2kco s THR 36 N 1.97 2.59 -0.77 -0.82 -4.23 -1.26 -5.02 115.64 108.11 2kco s THR 36 Ca 0.11 -0.94 -0.25 0.00 -1.18 0.00 0.00 61.69 59.43 2kco s THR 36 Cb -0.16 -2.66 -0.03 0.00 1.34 0.00 0.00 72.50 70.99 2kco s THR 36 CO 0.11 0.00 1.86 -0.22 -0.54 0.00 0.00 174.62 175.83 2kco s LEU 37 N -4.56 3.24 -0.09 4.79 0.20 -1.26 -4.78 118.68 116.21 2kco s LEU 37 Ca 0.59 -0.23 0.17 0.00 0.69 0.00 0.00 54.13 55.34 2kco s LEU 37 Cb -0.08 -2.55 0.63 0.00 -0.43 0.00 0.00 46.19 43.76 2kco s LEU 37 CO 0.37 -2.49 1.54 -1.20 -0.29 0.00 0.00 176.35 174.28 2kco n SER 38 N 13.02 4.31 0.26 3.68 7.64 -1.26 -4.31 113.62 136.97 2kco n SER 38 Ca 0.29 -2.41 0.16 0.00 1.01 0.00 0.00 58.87 57.92 2kco n SER 38 Cb 0.50 -0.51 0.60 0.00 -1.01 0.00 0.00 64.21 63.78 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 3.50 1.00 -0.44 -0.43 0.00 -2.01 -2.82 119.26 118.07 2kco h ALA 39 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kco h ALA 39 Cb 1.30 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2kco h ALA 39 CO 0.17 0.04 0.27 0.93 0.00 0.00 0.00 179.25 180.66 2kco h GLU 40 N 0.00 0.58 -0.35 0.00 5.08 -1.99 -1.18 114.58 116.73 2kco h GLU 40 Ca -0.00 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 2kco h GLU 40 Cb 0.60 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2kco h GLU 40 CO 0.00 0.40 -0.23 -0.44 -1.00 0.00 0.00 179.01 177.75 2kco h ASP 41 N 0.60 0.68 -0.41 1.42 5.19 -1.82 0.12 116.42 122.20 2kco h ASP 41 Ca 0.16 -0.24 -0.13 0.00 -0.62 0.00 0.00 57.03 56.20 2kco h ASP 41 Cb -0.04 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.28 2kco h ASP 41 CO -0.03 0.89 -0.26 0.40 -3.12 0.00 0.00 179.24 177.12 2kco h ILE 42 N 0.59 1.28 0.00 0.35 2.04 -1.52 -2.75 117.51 117.50 2kco h ILE 42 Ca 0.08 -1.42 -0.05 0.00 1.00 0.00 0.00 64.86 64.47 2kco h ILE 42 Cb 0.70 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 2kco h ILE 42 CO 0.05 0.48 -0.25 0.03 0.00 0.00 0.00 178.15 178.46 2kco h ARG 43 N 0.72 0.00 0.15 2.37 2.47 -0.84 0.27 114.38 119.51 2kco h ARG 43 Ca 0.08 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.50 2kco h ARG 43 Cb 0.84 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.16 2kco h ARG 43 CO 0.07 0.25 -1.42 0.97 0.56 0.00 0.00 179.97 180.40 2kco h ILE 44 N 0.00 1.30 0.00 2.04 6.09 -0.95 0.42 117.51 126.41 2kco h ILE 44 Ca -0.00 -2.88 0.00 0.00 -1.37 0.00 0.00 64.86 60.61 2kco h ILE 44 Cb 0.60 2.88 0.00 0.00 0.47 0.00 0.00 36.82 40.77 2kco h ILE 44 CO 0.03 0.85 0.00 0.29 -3.07 0.00 0.00 178.15 176.25 2kco n LYS 45 N -3.53 0.23 0.01 2.19 5.02 -1.04 -2.60 118.16 118.44 2kco n LYS 45 Ca -0.14 0.33 -0.13 0.00 -2.02 0.00 0.00 58.31 56.36 2kco n LYS 45 Cb 1.05 -1.85 -0.14 0.00 -0.02 0.00 0.00 35.03 34.07 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 0.17 -0.09 4.39 3.58 -0.81 -3.27 116.42 120.39 2kco h ASP 46 Ca 0.00 -0.30 -0.12 0.00 0.42 0.00 0.00 57.03 57.02 2kco h ASP 46 Cb 0.53 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 2kco h ASP 46 CO 0.00 1.26 -0.33 0.08 -2.88 0.00 0.00 179.24 177.37 2kco h ARG 47 N 0.03 0.58 0.00 0.28 0.11 -0.65 -1.19 114.38 113.55 2kco h ARG 47 Ca -0.27 -0.27 -0.11 0.00 0.10 0.00 0.00 59.98 59.43 2kco h ARG 47 Cb 1.99 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 33.04 2kco h ARG 47 CO 0.11 0.84 -0.55 0.00 0.10 0.00 0.00 179.97 180.47 2kco h THR 48 N 0.49 1.09 0.05 0.08 1.03 -1.70 -1.11 112.91 112.83 2kco h THR 48 Ca 0.06 -2.12 -0.00 0.00 -0.01 0.00 0.00 66.41 64.33 2kco h THR 48 Cb 0.82 2.26 0.00 0.00 -1.07 0.00 0.00 68.15 70.15 2kco h THR 48 CO 0.07 0.54 -0.02 0.25 -0.01 0.00 0.00 175.52 176.34 2kco h LEU 49 N 0.00 -0.05 0.00 0.00 5.85 -1.54 -3.37 115.31 116.20 2kco h LEU 49 Ca -0.01 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2kco h LEU 49 Cb 1.21 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.26 2kco h LEU 49 CO 0.07 0.64 -0.65 1.23 -0.34 0.00 0.00 178.44 179.39 2kco h GLY 50 N -0.97 0.00 -7.56 3.75 0.00 -1.38 -3.42 103.07 93.49 2kco h GLY 50 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.88 2kco h GLY 50 CO 0.01 0.00 1.41 -0.32 0.00 0.00 0.00 176.54 177.64 2kco s GLY 51 N -3.74 0.64 0.56 4.60 0.00 -0.42 -4.95 107.32 104.01 2kco s GLY 51 Ca 0.06 -2.36 -0.03 0.00 0.00 0.00 0.00 44.72 42.38 2kco s GLY 51 CO 0.73 3.28 0.83 0.54 0.00 0.00 0.00 173.10 178.48 2kco s ASN 52 N 5.83 5.53 -0.36 1.64 2.20 -1.26 -4.86 114.94 123.65 2kco s ASN 52 Ca 0.64 0.45 -0.21 0.00 -0.94 0.00 0.00 52.86 52.79 2kco s ASN 52 Cb 0.00 -1.47 0.01 0.00 -2.00 0.00 0.00 41.25 37.80 2kco s ASN 52 CO 0.11 -1.03 0.69 0.12 -2.94 0.00 0.00 177.10 174.05 2kco s PHE 53 N -2.86 3.13 -0.48 1.54 5.36 -1.26 -5.02 117.98 118.40 2kco s PHE 53 Ca 0.53 0.41 -0.28 0.00 -0.96 0.00 0.00 56.93 56.64 2kco s PHE 53 Cb -0.10 -3.25 -0.01 0.00 -0.34 0.00 0.00 43.02 39.32 2kco s PHE 53 CO 0.42 -0.68 1.66 0.21 -1.46 0.00 0.00 175.22 175.37 2kco s LYS 54 N 2.86 3.17 0.19 10.12 2.36 -1.26 -5.00 119.74 132.19 2kco s LYS 54 Ca 0.27 0.88 -0.11 0.00 -2.55 0.00 0.00 55.97 54.45 2kco s LYS 54 Cb -0.14 -4.20 -0.07 0.00 -1.05 0.00 0.00 37.83 32.37 2kco s LYS 54 CO 0.16 -2.07 0.55 0.14 1.55 0.00 0.00 175.35 175.67 2kco s VAL 55 N 7.05 4.91 -0.55 4.02 -7.23 -1.26 -5.06 120.40 122.27 2kco s VAL 55 Ca 0.66 0.61 -0.19 0.00 -1.81 0.00 0.00 61.98 61.26 2kco s VAL 55 Cb -0.15 -3.66 0.08 0.00 0.56 0.00 0.00 36.38 33.21 2kco s VAL 55 CO 0.28 0.06 0.65 -0.60 -0.31 0.00 0.00 175.10 175.18 2kco s ARG 56 N -2.45 3.07 0.52 4.82 3.00 -1.26 -5.07 118.95 121.58 2kco s ARG 56 Ca 0.43 -1.17 -0.00 0.00 -1.00 0.00 0.00 55.73 53.99 2kco s ARG 56 Cb -0.13 -4.19 0.02 0.00 0.00 0.00 0.00 34.95 30.65 2kco s ARG 56 CO 0.20 -1.38 0.76 -0.48 0.00 0.00 0.00 175.30 174.40 2kco s LEU 57 N 2.56 3.41 0.46 -0.88 0.05 -1.26 -5.10 118.68 117.91 2kco s LEU 57 Ca 0.12 0.22 -0.21 0.00 0.05 0.00 0.00 54.13 54.31 2kco s LEU 57 Cb -0.22 -3.08 -0.09 0.00 -2.05 0.00 0.00 46.19 40.75 2kco s LEU 57 CO 0.08 -0.97 1.02 -0.75 -0.55 0.00 0.00 176.35 175.18 2kco s LYS 58 N -4.72 3.95 -0.52 1.48 2.20 -1.26 -4.98 119.74 115.89 2kco s LYS 58 Ca 0.53 1.33 -0.27 0.00 -0.36 0.00 0.00 55.97 57.21 2kco s LYS 58 Cb -0.10 -2.18 -0.04 0.00 -1.51 0.00 0.00 37.83 33.99 2kco s LYS 58 CO 0.39 -0.30 2.08 -0.47 -0.36 0.00 0.00 175.35 176.70 2kco s TYR 59 N -1.97 1.43 0.83 4.03 6.14 -1.26 -4.97 117.35 121.58 2kco s TYR 59 Ca 0.65 1.06 -0.11 0.00 0.64 0.00 0.00 57.07 59.31 2kco s TYR 59 Cb -0.16 -3.89 0.09 0.00 0.42 0.00 0.00 41.96 38.43 2kco s TYR 59 CO 0.20 -2.53 1.14 -0.08 0.64 0.00 0.00 175.55 174.91 2kco s THR 60 N 10.05 2.57 0.17 4.34 -1.32 -1.26 -4.94 115.64 125.25 2kco s THR 60 Ca 0.81 0.20 -0.32 0.00 -1.21 0.00 0.00 61.69 61.17 2kco s THR 60 Cb -0.16 -2.48 -0.12 0.00 -1.51 0.00 0.00 72.50 68.23 2kco s THR 60 CO 0.25 -0.22 1.74 0.41 -2.21 0.00 0.00 174.62 174.58 2kco n THR 61 N -3.69 0.11 -4.28 5.08 -1.04 -1.26 -4.99 114.28 104.22 2kco n THR 61 Ca 0.11 -0.02 -0.22 0.00 -2.04 0.00 0.00 64.05 61.88 2kco n THR 61 Cb 0.52 -1.97 -0.12 0.00 -1.82 0.00 0.00 70.33 66.94 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 1.63 1.64 -0.14 12.58 2.01 -0.64 -3.43 115.64 129.29 2kco s THR 62 Ca 0.78 -1.60 -0.01 0.00 0.31 0.00 0.00 61.69 61.17 2kco s THR 62 Cb -0.52 -1.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 2kco s THR 62 CO 0.35 -0.15 -0.12 0.00 -0.69 0.00 0.00 174.62 174.01 2kco s ALA 63 N -1.41 2.67 -0.73 7.40 0.00 -0.38 -1.81 121.76 127.50 2kco s ALA 63 Ca 0.07 -0.90 -0.14 0.00 0.00 0.00 0.00 51.96 50.99 2kco s ALA 63 Cb -0.09 -1.27 0.19 0.00 0.00 0.00 0.00 23.12 21.95 2kco s ALA 63 CO 0.04 0.20 0.67 1.21 0.00 0.00 0.00 175.76 177.89 2kco s ASN 64 N 0.42 6.53 0.25 0.00 2.47 -0.35 -1.56 114.94 122.71 2kco s ASN 64 Ca -0.09 -2.41 -0.29 0.00 0.42 0.00 0.00 52.86 50.49 2kco s ASN 64 Cb -0.16 -2.20 -0.09 0.00 -1.45 0.00 0.00 41.25 37.35 2kco s ASN 64 CO 0.05 -0.66 0.93 0.68 -3.72 0.00 0.00 177.10 174.38 2kco s VAL 65 N 0.62 4.12 -0.10 -5.21 -7.23 -0.03 -0.74 120.40 111.83 2kco s VAL 65 Ca 0.13 2.01 -0.23 0.00 -1.81 0.00 0.00 61.98 62.07 2kco s VAL 65 Cb -0.17 -4.25 -0.03 0.00 0.56 0.00 0.00 36.38 32.49 2kco s VAL 65 CO -0.05 0.43 0.71 -0.22 -0.31 0.00 0.00 175.10 175.66 2kco s LEU 66 N -1.36 4.27 -0.48 1.32 1.98 -0.60 0.17 118.68 123.98 2kco s LEU 66 Ca 0.42 1.14 -0.14 0.00 -2.89 0.00 0.00 54.13 52.66 2kco s LEU 66 Cb -0.24 -3.08 0.09 0.00 0.66 0.00 0.00 46.19 43.62 2kco s LEU 66 CO 0.30 -0.18 0.40 -0.62 -1.89 0.00 0.00 176.35 174.36 2kco s ASP 67 N 0.91 6.07 0.21 3.68 2.15 -0.55 -2.72 116.67 126.43 2kco s ASP 67 Ca 0.36 -1.50 0.21 0.00 0.43 0.00 0.00 52.55 52.05 2kco s ASP 67 Cb -0.17 -2.16 0.91 0.00 -0.30 0.00 0.00 42.92 41.20 2kco s ASP 67 CO 0.16 -0.69 1.63 -0.81 -0.17 0.00 0.00 175.17 175.29 2kco n PRO 68 N 5.16 0.15 -0.14 4.34 -0.04 -1.26 0.27 135.00 143.48 2kco n PRO 68 Ca -0.12 0.42 -0.11 0.00 -0.04 0.00 0.00 63.50 63.65 2kco n PRO 68 Cb 0.42 -1.81 -0.01 0.00 -0.04 0.00 0.00 33.50 32.06 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 2.26 0.57 -0.00 0.55 0.00 -1.89 -3.19 119.26 117.56 2kco h ALA 69 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2kco h ALA 69 Cb 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2kco h ALA 69 CO 0.00 0.45 -0.92 0.25 0.00 0.00 0.00 179.25 179.04 2kco n THR 70 N -4.31 0.00 -1.42 0.00 -2.24 -1.05 -4.99 114.28 100.27 2kco n THR 70 Ca -0.01 -0.04 -0.14 0.00 -2.27 0.00 0.00 64.05 61.59 2kco n THR 70 Cb 0.37 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.55 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 -1.38 -4.86 -4.15 3.42 2.85 0.14 -5.00 115.26 106.28 2kco n ASN 71 Ca 0.04 0.35 -0.22 0.00 -0.11 0.00 0.00 54.58 54.65 2kco n ASN 71 Cb 0.32 -3.62 -0.14 0.00 1.24 0.00 0.00 39.78 37.58 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 -2.49 1.18 0.05 -0.44 -4.23 -0.94 -4.89 115.64 103.89 2kco s THR 72 Ca 0.00 -0.89 -0.24 0.00 -1.18 0.00 0.00 61.69 59.38 2kco s THR 72 Cb 0.00 -1.04 -0.06 0.00 1.34 0.00 0.00 72.50 72.74 2kco s THR 72 CO 0.00 0.14 0.72 0.00 -0.54 0.00 0.00 174.62 174.94 2kco s ALA 73 N -0.66 3.41 -0.09 3.99 0.00 -1.26 -1.48 121.76 125.67 2kco s ALA 73 Ca 0.04 0.23 0.03 0.00 0.00 0.00 0.00 51.96 52.26 2kco s ALA 73 Cb -0.07 -2.92 0.01 0.00 0.00 0.00 0.00 23.12 20.13 2kco s ALA 73 CO 0.01 0.13 -0.19 0.21 0.00 0.00 0.00 175.76 175.92 2kco s LYS 74 N -0.27 2.48 -0.37 0.00 2.20 0.13 -4.93 119.74 118.97 2kco s LYS 74 Ca 0.36 -0.68 -0.10 0.00 -0.36 0.00 0.00 55.97 55.19 2kco s LYS 74 Cb -0.20 -1.92 0.03 0.00 -1.51 0.00 0.00 37.83 34.23 2kco s LYS 74 CO 0.22 0.11 0.20 0.21 -0.36 0.00 0.00 175.35 175.73 2kco s LYS 75 N 0.48 2.77 0.11 4.03 2.20 -1.26 -0.85 119.74 127.22 2kco s LYS 75 Ca -0.17 -1.13 0.04 0.00 -0.36 0.00 0.00 55.97 54.36 2kco s LYS 75 Cb -0.17 -3.70 -0.04 0.00 -1.51 0.00 0.00 37.83 32.42 2kco s LYS 75 CO 0.07 -0.72 -0.11 0.14 -0.36 0.00 0.00 175.35 174.37 2kco s VAL 76 N 1.52 1.08 0.61 4.02 -7.23 -0.60 -4.97 120.40 114.83 2kco s VAL 76 Ca 0.01 -1.70 -0.17 0.00 -1.81 0.00 0.00 61.98 58.31 2kco s VAL 76 Cb -0.19 -1.45 -0.02 0.00 0.56 0.00 0.00 36.38 35.27 2kco s VAL 76 CO 0.06 -0.53 1.16 -0.75 -0.31 0.00 0.00 175.10 174.72 2kco s LYS 77 N -2.83 2.93 -0.04 4.82 2.20 -1.26 -1.25 119.74 124.31 2kco s LYS 77 Ca 0.07 1.64 -0.24 0.00 -0.36 0.00 0.00 55.97 57.08 2kco s LYS 77 Cb -0.03 -1.95 -0.04 0.00 -1.51 0.00 0.00 37.83 34.30 2kco s LYS 77 CO 0.01 -1.19 0.71 0.42 -0.36 0.00 0.00 175.35 174.94 2kco s ILE 78 N -1.90 4.98 0.00 5.43 1.01 -1.22 -2.72 121.20 126.78 2kco s ILE 78 Ca 0.73 1.48 0.00 0.00 0.00 0.00 0.00 60.65 62.86 2kco s ILE 78 Cb -0.26 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.16 2kco s ILE 78 CO 0.35 0.28 0.00 0.18 0.00 0.00 0.00 174.94 175.75 2kco n LEU 79 N 3.55 0.68 -3.51 2.97 4.77 -0.31 -5.00 117.00 120.15 2kco n LEU 79 Ca -0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 2kco n LEU 79 Cb 0.51 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 2kco n LEU 79 CO 0.47 0.00 0.37 -1.83 -1.33 0.00 0.00 177.39 175.07 2kco s GLU 80 N 0.00 1.30 -0.22 3.23 1.03 -1.22 -4.96 118.70 117.86 2kco s GLU 80 Ca 0.00 -0.57 -0.15 0.00 0.03 0.00 0.00 54.97 54.27 2kco s GLU 80 Cb 0.00 0.57 -0.04 0.00 -0.80 0.00 0.00 34.13 33.86 2kco s GLU 80 CO 0.00 -0.57 0.37 0.96 -1.33 0.00 0.00 175.26 174.70 2kco s ILE 81 N -3.78 5.21 -0.09 1.83 -0.00 -1.26 -0.52 121.20 122.59 2kco s ILE 81 Ca 0.03 0.64 -0.03 0.00 -0.00 0.00 0.00 60.65 61.29 2kco s ILE 81 Cb -0.01 -3.70 -0.01 0.00 -0.00 0.00 0.00 42.46 38.74 2kco s ILE 81 CO -0.10 0.24 -0.05 -0.07 -0.00 0.00 0.00 174.94 174.96 2kco h LEU 82 N 7.80 0.00 -8.97 0.37 -0.00 -1.49 -3.43 115.31 109.59 2kco h LEU 82 Ca -0.35 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 56.96 2kco h LEU 82 Cb 1.16 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.77 2kco h LEU 82 CO 0.70 0.46 0.98 -0.70 -0.00 0.00 0.00 178.44 179.88 2kco s GLU 83 N -1.63 3.92 -0.23 1.13 2.12 -1.25 -4.98 118.70 117.78 2kco s GLU 83 Ca -0.04 1.31 -0.29 0.00 0.36 0.00 0.00 54.97 56.30 2kco s GLU 83 Cb 0.01 -3.88 -0.02 0.00 0.26 0.00 0.00 34.13 30.49 2kco s GLU 83 CO 0.06 -1.11 1.56 0.99 -0.54 0.00 0.00 175.26 176.22 2kco s THR 84 N 4.39 3.78 0.62 -1.70 2.01 -1.26 -3.92 115.64 119.55 2kco s THR 84 Ca 0.57 0.87 -0.18 0.00 0.31 0.00 0.00 61.69 63.27 2kco s THR 84 Cb -0.18 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 2kco s THR 84 CO 0.23 -0.33 0.84 -2.65 -0.69 0.00 0.00 174.62 172.02 2kco n PRO 85 N 7.60 0.70 -0.32 4.92 -0.02 -1.26 -4.93 135.00 141.69 2kco n PRO 85 Ca 0.18 0.28 0.02 0.00 -2.02 0.00 0.00 63.50 61.96 2kco n PRO 85 Cb 0.45 -2.05 0.16 0.00 -0.02 0.00 0.00 33.50 32.04 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 0.24 1.23 -1.08 3.55 0.00 -1.95 -2.15 119.26 119.11 2kco h ALA 86 Ca -0.48 -0.00 -0.78 0.00 0.00 0.00 0.00 54.91 53.66 2kco h ALA 86 Cb 1.37 -0.22 -0.24 0.00 0.00 0.00 0.00 17.79 18.69 2kco h ALA 86 CO 0.49 0.26 1.22 0.27 0.00 0.00 0.00 179.25 181.49 2kco n ASN 87 N -4.63 7.46 -0.26 0.00 6.94 -1.26 -4.77 115.26 118.74 2kco n ASN 87 Ca 0.13 -3.61 0.07 0.00 -0.02 0.00 0.00 54.58 51.15 2kco n ASN 87 Cb 0.21 -1.18 0.31 0.00 -2.36 0.00 0.00 39.78 36.76 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 3.98 0.82 -0.07 -3.83 -0.00 -1.73 -1.49 116.57 114.25 2kco h LYS 88 Ca 0.56 -0.05 0.02 0.00 -0.00 0.00 0.00 60.65 61.18 2kco h LYS 88 Cb 0.28 -0.19 -0.00 0.00 -0.00 0.00 0.00 32.23 32.32 2kco h LYS 88 CO 1.26 0.54 0.12 1.05 -0.00 0.00 0.00 179.45 182.42 2kco h GLU 89 N 0.85 0.00 0.05 0.07 4.11 -1.88 -1.98 114.58 115.80 2kco h GLU 89 Ca 0.39 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 59.45 2kco h GLU 89 Cb 0.39 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 2kco h GLU 89 CO -0.16 0.00 -2.22 1.28 0.07 0.00 0.00 179.01 177.99 2kco n LEU 90 N -3.54 2.39 -0.14 3.06 4.77 -0.65 -4.40 117.00 118.50 2kco n LEU 90 Ca -0.01 0.06 0.24 0.00 -0.03 0.00 0.00 56.01 56.27 2kco n LEU 90 Cb 0.21 -0.77 0.68 0.00 -2.33 0.00 0.00 43.42 41.20 2kco n LEU 90 CO 0.24 0.82 1.23 0.00 -1.33 0.00 0.00 177.39 178.35 2kco h ALA 91 N 0.21 2.64 0.00 -1.18 0.00 -0.50 -0.41 119.26 120.01 2kco h ALA 91 Ca -0.49 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 2kco h ALA 91 Cb 2.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.82 2kco h ALA 91 CO 0.01 -0.87 -0.24 0.07 0.00 0.00 0.00 179.25 178.22 2kco h ARG 92 N 0.08 0.00 0.06 0.00 0.11 -1.62 -1.92 114.38 111.08 2kco h ARG 92 Ca 0.38 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 60.21 2kco h ARG 92 Cb 1.41 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.47 2kco h ARG 92 CO -0.03 0.24 -1.26 0.00 0.10 0.00 0.00 179.97 179.02 2kco h ARG 93 N 0.00 0.12 0.00 0.08 3.08 -1.36 -3.48 114.38 112.82 2kco h ARG 93 Ca -0.00 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.84 2kco h ARG 93 Cb 0.53 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2kco h ARG 93 CO 0.03 1.02 0.00 0.41 -1.07 0.00 0.00 179.97 180.36 2kco n GLY 94 N 1.49 0.86 3.57 0.04 0.00 -0.72 -4.96 105.19 105.47 2kco n GLY 94 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.89 4.02 -0.02 -0.61 -1.09 -0.50 -4.84 121.20 117.28 2kco s ILE 95 Ca 0.00 -1.50 -0.09 0.00 -2.23 0.00 0.00 60.65 56.83 2kco s ILE 95 Cb 0.00 -5.11 -0.05 0.00 -1.58 0.00 0.00 42.46 35.72 2kco s ILE 95 CO 0.00 -1.94 0.29 -0.63 -1.23 0.00 0.00 174.94 171.43 2kco s ILE 96 N 4.82 5.25 0.08 2.92 1.01 -1.26 -1.79 121.20 132.22 2kco s ILE 96 Ca 0.52 0.41 -0.10 0.00 0.00 0.00 0.00 60.65 61.48 2kco s ILE 96 Cb 0.02 -3.58 -0.06 0.00 0.01 0.00 0.00 42.46 38.86 2kco s ILE 96 CO 0.02 0.48 0.41 -0.51 0.00 0.00 0.00 174.94 175.34 2kco s ILE 97 N -1.18 5.08 -0.09 2.92 2.07 -1.26 -4.83 121.20 123.91 2kco s ILE 97 Ca 0.24 0.48 -0.37 0.00 -1.41 0.00 0.00 60.65 59.60 2kco s ILE 97 Cb -0.14 -3.65 -0.14 0.00 0.13 0.00 0.00 42.46 38.66 2kco s ILE 97 CO 0.13 0.30 1.71 -1.14 -1.91 0.00 0.00 174.94 174.02 2kco n ARG 98 N 0.95 1.65 0.00 3.50 0.63 -1.26 -2.15 116.66 119.98 2kco n ARG 98 Ca -0.08 0.60 0.00 0.00 -0.92 0.00 0.00 57.85 57.45 2kco n ARG 98 Cb 0.52 -2.35 0.00 0.00 0.45 0.00 0.00 32.46 31.09 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 3.89 0.82 3.78 5.14 0.00 -0.51 -5.04 105.19 113.27 2kco n GLY 99 Ca 0.23 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 -2.05 3.49 0.12 4.61 0.00 -0.91 -4.85 121.76 122.17 2kco s ALA 100 Ca 0.00 0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.80 2kco s ALA 100 Cb 0.00 -2.79 -0.06 0.00 0.00 0.00 0.00 23.12 20.27 2kco s ALA 100 CO 0.00 0.24 0.92 0.15 0.00 0.00 0.00 175.76 177.07 2kco s LYS 101 N -0.60 4.68 0.14 0.00 3.01 -1.25 -2.14 119.74 123.58 2kco s LYS 101 Ca 0.32 1.38 0.05 0.00 -1.01 0.00 0.00 55.97 56.72 2kco s LYS 101 Cb -0.20 -3.35 -0.04 0.00 -1.01 0.00 0.00 37.83 33.23 2kco s LYS 101 CO 0.20 0.29 -0.12 -1.50 0.51 0.00 0.00 175.35 174.73 2kco s ILE 102 N -0.24 1.30 -0.06 2.17 2.07 0.08 -1.17 121.20 125.35 2kco s ILE 102 Ca 0.44 -1.90 0.04 0.00 -1.41 0.00 0.00 60.65 57.82 2kco s ILE 102 Cb -0.23 -1.70 -0.02 0.00 0.13 0.00 0.00 42.46 40.64 2kco s ILE 102 CO 0.29 -0.57 -0.19 -0.13 -1.91 0.00 0.00 174.94 172.43 2kco s ARG 103 N -3.19 2.60 0.36 3.50 0.52 0.32 -0.98 118.95 122.09 2kco s ARG 103 Ca 0.13 -0.78 0.01 0.00 -0.52 0.00 0.00 55.73 54.57 2kco s ARG 103 Cb -0.02 -2.31 0.01 0.00 0.52 0.00 0.00 34.95 33.15 2kco s ARG 103 CO 0.02 0.48 0.06 0.25 0.02 0.00 0.00 175.30 176.14 2kco n THR 104 N 2.70 0.00 0.25 0.02 -2.24 -0.42 -1.16 114.28 113.42 2kco n THR 104 Ca -0.17 -1.62 0.10 0.00 -2.27 0.00 0.00 64.05 60.09 2kco n THR 104 Cb 0.52 0.22 0.64 0.00 -2.10 0.00 0.00 70.33 69.61 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 0.02 -0.78 4.39 -1.80 -3.32 114.58 113.09 2kco h GLU 105 Ca -0.28 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.42 2kco h GLU 105 Cb 0.88 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 2kco h GLU 105 CO 0.46 0.15 -0.01 0.00 -1.16 0.00 0.00 179.01 178.44 2kco h ALA 106 N 1.85 -0.13 -2.63 3.43 0.00 -1.95 -3.51 119.26 116.33 2kco h ALA 106 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kco h ALA 106 Cb 0.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2kco h ALA 106 CO 0.02 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.56 2kco n GLY 107 N 1.60 2.34 3.70 0.00 0.00 -1.25 -5.12 105.19 106.46 2kco n GLY 107 Ca -0.00 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 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 0.17 0.99 2.96 -1.26 -1.30 118.68 124.59 2kco s LEU 108 Ca 0.00 2.27 0.08 0.00 -0.22 0.00 0.00 54.13 56.25 2kco s LEU 108 Cb 0.00 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 2kco s LEU 108 CO 0.00 -0.71 -0.16 0.00 -1.32 0.00 0.00 176.35 174.16 2kco s ALA 109 N 1.76 1.92 -0.17 5.97 0.00 -0.15 -1.30 121.76 129.80 2kco s ALA 109 Ca 0.65 -1.52 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 2kco s ALA 109 Cb -0.35 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 2kco s ALA 109 CO 0.29 0.15 -0.11 0.54 0.00 0.00 0.00 175.76 176.63 2kco s VAL 110 N -2.41 3.04 -0.04 0.00 0.11 -0.24 -0.74 120.40 120.11 2kco s VAL 110 Ca 0.17 -0.64 -0.30 0.00 -2.93 0.00 0.00 61.98 58.29 2kco s VAL 110 Cb -0.04 -2.32 -0.06 0.00 -1.53 0.00 0.00 36.38 32.43 2kco s VAL 110 CO 0.06 0.49 1.76 0.68 -3.33 0.00 0.00 175.10 174.76 2kco s VAL 111 N 0.83 3.41 -0.07 2.04 -7.23 -0.91 -0.92 120.40 117.56 2kco s VAL 111 Ca -0.04 0.50 0.01 0.00 -1.81 0.00 0.00 61.98 60.64 2kco s VAL 111 Cb -0.15 -3.33 0.01 0.00 0.56 0.00 0.00 36.38 33.47 2kco s VAL 111 CO 0.01 -0.06 0.68 0.35 -0.31 0.00 0.00 175.10 175.77 2kco n THR 112 N 5.61 0.33 -4.05 5.32 -2.24 -0.80 -1.42 114.28 117.03 2kco n THR 112 Ca 0.18 -0.66 -0.11 0.00 -2.27 0.00 0.00 64.05 61.20 2kco n THR 112 Cb 0.42 0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.36 0.13 0.41 3.42 0.15 -0.84 -4.99 113.70 111.62 2kco s SER 113 Ca 0.01 -1.12 -0.16 0.00 0.70 0.00 0.00 55.95 55.39 2kco s SER 113 Cb 0.01 0.56 -0.09 0.00 -1.71 0.00 0.00 66.02 64.79 2kco s SER 113 CO 0.01 -1.12 0.85 -0.13 1.20 0.00 0.00 173.24 174.05 2kco s ARG 114 N -3.85 4.00 -0.26 5.44 1.81 -1.26 -4.38 118.95 120.44 2kco s ARG 114 Ca 0.27 0.80 -0.28 0.00 -1.72 0.00 0.00 55.73 54.80 2kco s ARG 114 Cb 0.01 -2.29 -0.04 0.00 -0.45 0.00 0.00 34.95 32.17 2kco s ARG 114 CO 0.12 -0.03 2.15 -2.14 -0.68 0.00 0.00 175.30 174.72 2kco s PRO 115 N -3.47 3.10 0.76 3.54 0.02 -1.26 -4.29 135.00 133.39 2kco s PRO 115 Ca 0.56 1.86 -0.15 0.00 0.02 0.00 0.00 61.00 63.30 2kco s PRO 115 Cb -0.10 -4.35 0.03 0.00 0.02 0.00 0.00 34.50 30.10 2kco s PRO 115 CO 0.23 -2.14 1.04 0.41 -0.33 0.00 0.00 177.00 176.21 2kco n GLY 116 N 5.72 -0.31 0.33 0.52 0.00 0.12 -4.82 105.19 106.75 2kco n GLY 116 Ca 0.29 -0.39 0.19 0.00 0.00 0.00 0.00 46.02 46.11 2kco n GLY 116 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kco h GLN 117 N -0.47 0.00 0.00 1.61 1.08 -1.94 0.11 115.11 115.50 2kco h GLN 117 Ca -0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 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 0.46 0.00 0.00 -0.25 -0.95 0.00 0.00 178.83 178.09 2kco n ASP 118 N -3.33 0.00 -2.19 1.46 8.00 -1.26 -4.85 116.55 114.38 2kco n ASP 118 Ca -0.02 -1.06 -0.13 0.00 0.71 0.00 0.00 54.79 54.29 2kco n ASP 118 Cb 0.17 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.31 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 0.30 0.13 3.02 0.44 0.00 0.38 -4.81 105.19 104.64 2kco n GLY 119 Ca 0.08 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.17 1.94 -0.41 1.61 0.11 -1.09 -1.62 120.40 117.78 2kco s VAL 120 Ca 0.30 -1.54 -0.14 0.00 -2.93 0.00 0.00 61.98 57.67 2kco s VAL 120 Cb -0.13 -2.13 0.03 0.00 -1.53 0.00 0.00 36.38 32.62 2kco s VAL 120 CO 0.40 -0.10 0.28 -0.63 -3.33 0.00 0.00 175.10 171.72 2kco s ILE 121 N 1.20 5.07 0.06 7.04 1.09 -0.75 -0.71 121.20 134.21 2kco s ILE 121 Ca -0.06 -0.75 -0.31 0.00 -1.10 0.00 0.00 60.65 58.43 2kco s ILE 121 Cb -0.20 -3.85 -0.06 0.00 -1.06 0.00 0.00 42.46 37.30 2kco s ILE 121 CO -0.06 -0.31 1.24 0.21 -0.10 0.00 0.00 174.94 175.92 2kco s ASN 122 N 1.71 7.03 0.28 3.58 3.84 -1.26 -1.20 114.94 128.91 2kco s ASN 122 Ca 0.04 2.06 0.02 0.00 0.21 0.00 0.00 52.86 55.19 2kco s ASN 122 Cb -0.19 -2.58 -0.05 0.00 -0.55 0.00 0.00 41.25 37.88 2kco s ASN 122 CO 0.09 -0.51 0.09 0.00 -2.79 0.00 0.00 177.10 173.98 2kco s ALA 123 N 1.16 1.92 -0.17 1.71 0.00 0.09 -1.90 121.76 124.57 2kco s ALA 123 Ca 0.60 -1.88 0.01 0.00 0.00 0.00 0.00 51.96 50.68 2kco s ALA 123 Cb -0.31 0.96 0.01 0.00 0.00 0.00 0.00 23.12 23.78 2kco s ALA 123 CO 0.29 -0.43 -0.17 0.08 0.00 0.00 0.00 175.76 175.53 2kco s VAL 124 N -3.63 2.41 0.16 0.00 1.01 -0.10 -1.56 120.40 118.69 2kco s VAL 124 Ca 0.37 -0.84 -0.31 0.00 0.00 0.00 0.00 61.98 61.19 2kco s VAL 124 Cb 0.08 -2.01 -0.10 0.00 0.00 0.00 0.00 36.38 34.34 2kco s VAL 124 CO 0.14 0.52 1.54 -0.76 0.00 0.00 0.00 175.10 176.55 2kco s LEU 125 N 1.06 4.37 -0.01 3.92 1.43 -1.10 -1.08 118.68 127.26 2kco s LEU 125 Ca -0.01 2.58 0.01 0.00 -1.03 0.00 0.00 54.13 55.69 2kco s LEU 125 Cb -0.14 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 42.54 2kco s LEU 125 CO -0.05 -0.80 0.83 0.18 0.23 0.00 0.00 176.35 176.74 2kco n LEU 126 N 3.91 0.82 0.00 1.79 4.32 -0.42 -3.73 117.00 123.70 2kco n LEU 126 Ca 0.13 -0.41 0.03 0.00 -0.02 0.00 0.00 56.01 55.74 2kco n LEU 126 Cb 0.39 -0.27 0.18 0.00 -1.62 0.00 0.00 43.42 42.10 2kco n LEU 126 CO 0.61 0.18 0.54 1.17 -1.22 0.00 0.00 177.39 178.67 2kco n LYS 127 N -0.15 0.84 0.16 3.23 4.81 -1.26 -2.22 118.16 123.58 2kco n LYS 127 Ca 0.02 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.59 2kco n LYS 127 Cb 0.18 -1.11 0.30 0.00 0.02 0.00 0.00 35.03 34.43 2kco n LYS 127 CO 0.00 0.00 0.00 -2.95 1.17 0.00 0.00 177.40 175.62 2kco h ASN 128 N 0.00 0.00 -3.94 3.14 7.08 -1.94 -3.43 115.58 116.49 2kco h ASN 128 Ca 0.00 0.00 -0.54 0.00 -3.08 0.00 0.00 56.30 52.68 2kco h ASN 128 Cb 0.00 0.00 0.10 0.00 -2.08 0.00 0.00 38.32 36.34 2kco h ASN 128 CO 0.00 0.00 0.73 -0.70 -2.08 0.00 0.00 177.43 175.38 2kco s GLU 129 N -3.17 4.06 -0.91 4.14 2.56 -0.94 -4.89 118.70 119.55 2kco s GLU 129 Ca 0.09 2.47 -0.25 0.00 0.00 0.00 0.00 54.97 57.27 2kco s GLU 129 Cb 0.09 -2.91 -0.10 0.00 2.00 0.00 0.00 34.13 33.20 2kco s GLU 129 CO 0.63 -0.53 2.14 -1.54 -0.56 0.00 0.00 175.26 175.39 2kco s SER 130 N -0.30 4.47 -0.57 -1.70 1.04 -1.26 -4.91 113.70 110.48 2kco s SER 130 Ca 0.54 -0.54 -0.28 0.00 0.48 0.00 0.00 55.95 56.16 2kco s SER 130 Cb -0.45 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.12 2kco s SER 130 CO 0.60 -3.43 1.49 -1.58 0.98 0.00 0.00 173.24 171.30 2kco s GLN 131 N 7.82 3.20 -1.08 4.02 2.00 -1.26 -4.95 119.66 129.41 2kco s GLN 131 Ca 0.80 0.49 -0.18 0.00 -2.00 0.00 0.00 55.36 54.46 2kco s GLN 131 Cb -0.08 -4.17 0.11 0.00 0.80 0.00 0.00 33.01 29.67 2kco s GLN 131 CO 0.06 -2.06 1.37 0.50 -0.50 0.00 0.00 175.29 174.66 2kco s ARG 132 N 5.76 3.78 0.00 1.67 3.00 -1.26 -5.24 118.95 126.65 2kco s ARG 132 Ca 0.55 -1.85 0.26 0.00 -1.00 0.00 0.00 55.73 53.68 2kco s ARG 132 Cb -0.12 -5.15 1.53 0.00 0.00 0.00 0.00 34.95 31.21 2kco s ARG 132 CO 0.24 -1.95 1.89 0.43 0.00 0.00 0.00 175.30 175.91