#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 -1.66 3.52 3.03 0.00 -1.26 -5.14 105.19 103.67 2kco n GLY 2 Ca 0.00 0.58 -0.14 0.00 0.00 0.00 0.00 46.02 46.46 2kco n GLY 2 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2kco s PHE 3 N 0.00 -0.67 -0.25 1.61 -0.71 -1.26 -5.17 117.98 111.54 2kco s PHE 3 Ca 0.00 1.58 -0.21 0.00 -1.04 0.00 0.00 56.93 57.26 2kco s PHE 3 Cb 0.00 0.24 0.07 0.00 -1.21 0.00 0.00 43.02 42.12 2kco s PHE 3 CO 0.00 -0.35 0.65 1.52 -1.34 0.00 0.00 175.22 175.70 2kco s TYR 4 N 0.15 -0.77 0.06 3.49 1.13 -1.26 -5.15 117.35 114.99 2kco s TYR 4 Ca -0.01 1.80 -0.30 0.00 -1.41 0.00 0.00 57.07 57.14 2kco s TYR 4 Cb -0.04 0.31 -0.05 0.00 -1.10 0.00 0.00 41.96 41.07 2kco s TYR 4 CO 0.02 -0.37 1.16 -1.14 -2.51 0.00 0.00 175.55 172.71 2kco s GLN 5 N 0.58 4.46 0.83 -3.49 0.74 -1.26 -5.04 119.66 116.48 2kco s GLN 5 Ca -0.02 1.72 -0.12 0.00 0.05 0.00 0.00 55.36 56.99 2kco s GLN 5 Cb -0.05 -3.36 0.09 0.00 1.10 0.00 0.00 33.01 30.79 2kco s GLN 5 CO -0.03 -0.21 1.14 0.20 -0.55 0.00 0.00 175.29 175.84 2kco s GLY 6 N 1.00 1.60 -0.66 2.59 0.00 -1.26 -4.93 107.32 105.66 2kco s GLY 6 Ca 0.57 -0.48 -0.26 0.00 0.00 0.00 0.00 44.72 44.55 2kco s GLY 6 CO 0.29 0.01 2.10 2.56 0.00 0.00 0.00 173.10 178.06 2kco s PRO 7 N -5.36 2.33 -0.05 2.90 0.04 -1.26 -4.94 135.00 128.66 2kco s PRO 7 Ca 0.62 0.64 -0.30 0.00 0.04 0.00 0.00 61.00 62.00 2kco s PRO 7 Cb -0.13 -4.62 -0.04 0.00 0.04 0.00 0.00 34.50 29.75 2kco s PRO 7 CO 0.52 -3.23 1.35 0.34 0.04 0.00 0.00 177.00 176.02 2kco s ASP 8 N 9.58 6.90 -0.08 6.66 2.15 -1.26 -5.03 116.67 135.58 2kco s ASP 8 Ca 0.79 1.96 0.04 0.00 0.43 0.00 0.00 52.55 55.78 2kco s ASP 8 Cb -0.13 -2.55 -0.00 0.00 -0.30 0.00 0.00 42.92 39.94 2kco s ASP 8 CO 0.16 -0.71 -0.22 0.21 -0.17 0.00 0.00 175.17 174.44 2kco s ASN 9 N 1.94 2.83 0.23 -0.34 3.84 -1.26 -5.14 114.94 117.04 2kco s ASN 9 Ca 0.61 -0.50 0.10 0.00 0.21 0.00 0.00 52.86 53.28 2kco s ASN 9 Cb -0.28 -1.18 -0.04 0.00 -0.55 0.00 0.00 41.25 39.20 2kco s ASN 9 CO 0.23 0.15 -0.12 -0.13 -2.79 0.00 0.00 177.10 174.45 2kco s ARG 10 N 0.29 1.95 -0.63 0.43 0.52 -1.26 -5.10 118.95 115.15 2kco s ARG 10 Ca -0.15 -1.47 -0.21 0.00 -0.52 0.00 0.00 55.73 53.38 2kco s ARG 10 Cb -0.17 -2.02 0.09 0.00 0.52 0.00 0.00 34.95 33.37 2kco s ARG 10 CO 0.07 0.38 0.84 0.15 0.02 0.00 0.00 175.30 176.76 2kco s LYS 11 N -3.22 3.08 -1.00 3.54 3.01 -1.26 -4.99 119.74 118.90 2kco s LYS 11 Ca 0.27 -1.07 -0.23 0.00 -1.01 0.00 0.00 55.97 53.93 2kco s LYS 11 Cb -0.07 -4.25 0.03 0.00 -1.01 0.00 0.00 37.83 32.53 2kco s LYS 11 CO 0.16 -1.69 1.55 0.42 0.51 0.00 0.00 175.35 176.30 2kco s ILE 12 N 3.40 3.83 -0.69 2.17 1.09 -1.26 -4.94 121.20 124.79 2kco s ILE 12 Ca 0.17 -0.70 -0.17 0.00 -1.10 0.00 0.00 60.65 58.85 2kco s ILE 12 Cb -0.20 -4.86 0.14 0.00 -1.06 0.00 0.00 42.46 36.48 2kco s ILE 12 CO 0.08 -1.75 0.76 0.42 -0.10 0.00 0.00 174.94 174.35 2kco s THR 13 N 5.98 5.05 -0.18 2.92 -4.23 -1.26 -4.87 115.64 119.04 2kco s THR 13 Ca 0.51 -1.51 0.14 0.00 -1.18 0.00 0.00 61.69 59.65 2kco s THR 13 Cb -0.01 -4.51 0.43 0.00 1.34 0.00 0.00 72.50 69.75 2kco s THR 13 CO -0.08 -1.13 1.21 0.61 -0.54 0.00 0.00 174.62 174.69 2kco n GLY 14 N 5.00 4.37 1.98 3.99 0.00 -1.26 -4.85 105.19 114.42 2kco n GLY 14 Ca 0.00 -1.33 -0.19 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.76 4.34 3.41 -0.02 0.00 -1.26 -4.81 105.19 106.08 2kco n GLY 15 Ca 0.18 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 2kco n GLY 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kco n LEU 16 N 0.22 5.36 -3.64 0.99 4.32 -1.26 -4.88 117.00 118.10 2kco n LEU 16 Ca 0.35 -4.25 -0.21 0.00 -0.02 0.00 0.00 56.01 51.88 2kco n LEU 16 Cb 0.58 -1.66 -0.17 0.00 -1.62 0.00 0.00 43.42 40.56 2kco n LEU 16 CO 0.43 0.59 -0.31 -0.75 -1.22 0.00 0.00 177.39 176.13 2kco s LYS 17 N 2.58 0.00 0.15 3.23 2.20 -1.26 -5.16 119.74 121.49 2kco s LYS 17 Ca 0.47 0.26 -0.04 0.00 -0.36 0.00 0.00 55.97 56.30 2kco s LYS 17 Cb 0.02 -0.91 -0.05 0.00 -1.51 0.00 0.00 37.83 35.38 2kco s LYS 17 CO 0.03 -0.45 0.38 0.20 -0.36 0.00 0.00 175.35 175.15 2kco s GLY 18 N 2.19 2.17 0.89 5.54 0.00 -1.26 -5.13 107.32 111.73 2kco s GLY 18 Ca 0.04 -0.60 -0.10 0.00 0.00 0.00 0.00 44.72 44.06 2kco s GLY 18 CO -0.06 -0.52 1.22 0.54 0.00 0.00 0.00 173.10 174.28 2kco s LYS 19 N -2.77 0.83 0.26 2.90 -0.14 -1.26 -5.12 119.74 114.44 2kco s LYS 19 Ca 0.41 -0.83 0.08 0.00 -1.36 0.00 0.00 55.97 54.27 2kco s LYS 19 Cb -0.12 -2.03 -0.04 0.00 -1.68 0.00 0.00 37.83 33.96 2kco s LYS 19 CO 0.25 -2.17 0.11 -3.38 -0.76 0.00 0.00 175.35 169.40 2kco s HIS 20 N -3.64 2.93 -0.05 3.18 -3.43 -1.26 -5.12 115.29 107.90 2kco s HIS 20 Ca 0.73 -0.16 -0.18 0.00 -0.80 0.00 0.00 55.06 54.65 2kco s HIS 20 Cb -0.03 -1.32 -0.05 0.00 -1.43 0.00 0.00 32.58 29.75 2kco s HIS 20 CO 0.50 0.56 0.50 1.03 -2.00 0.00 0.00 174.74 175.33 2kco s ARG 21 N -3.77 4.24 -0.00 -0.38 0.52 -1.26 -5.08 118.95 113.21 2kco s ARG 21 Ca 0.32 0.54 -0.14 0.00 -0.52 0.00 0.00 55.73 55.94 2kco s ARG 21 Cb -0.07 -3.35 -0.06 0.00 0.52 0.00 0.00 34.95 31.99 2kco s ARG 21 CO 0.23 0.36 0.39 -0.51 0.02 0.00 0.00 175.30 175.79 2kco s ASP 22 N -0.08 6.77 0.00 0.23 1.11 -1.26 -5.10 116.67 118.34 2kco s ASP 22 Ca 0.27 0.92 0.00 0.00 0.18 0.00 0.00 52.55 53.92 2kco s ASP 22 Cb -0.17 -2.23 0.00 0.00 1.07 0.00 0.00 42.92 41.59 2kco s ASP 22 CO 0.13 0.32 0.00 0.29 1.18 0.00 0.00 175.17 177.10 2kco n LYS 23 N 1.78 2.54 -2.58 8.23 4.01 -1.26 -5.14 118.16 125.74 2kco n LYS 23 Ca -0.14 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.31 2kco n LYS 23 Cb 0.53 0.00 -0.04 0.00 -0.51 0.00 0.00 35.03 35.00 2kco n LYS 23 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2kco s ARG 24 N -1.08 4.07 0.00 1.97 1.81 -1.26 -5.04 118.95 119.41 2kco s ARG 24 Ca 0.00 1.41 0.00 0.00 -1.72 0.00 0.00 55.73 55.42 2kco s ARG 24 Cb 0.00 -2.37 0.00 0.00 -0.45 0.00 0.00 34.95 32.13 2kco s ARG 24 CO 0.00 -0.21 0.00 1.63 -0.68 0.00 0.00 175.30 176.04 2kco n LYS 25 N -0.40 0.00 -2.00 3.54 4.01 -1.26 -5.02 118.16 117.03 2kco n LYS 25 Ca 0.06 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.84 2kco n LYS 25 Cb 0.51 -0.09 0.06 0.00 -0.51 0.00 0.00 35.03 35.00 2kco n LYS 25 CO 0.00 0.00 0.00 2.48 -1.11 0.00 0.00 177.40 178.77 2kco n TYR 26 N -1.65 -1.13 -1.68 2.13 0.18 -1.26 -5.16 117.16 108.58 2kco n TYR 26 Ca 0.00 -1.01 -0.38 0.00 1.88 0.00 0.00 57.90 58.40 2kco n TYR 26 Cb 0.00 1.08 0.05 0.00 -0.38 0.00 0.00 39.34 40.09 2kco n TYR 26 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 2kco n GLU 27 N -0.85 1.19 -2.01 -3.48 4.71 -1.26 -4.89 120.64 114.05 2kco n GLU 27 Ca -0.14 0.45 -0.42 0.00 -0.01 0.00 0.00 57.16 57.04 2kco n GLU 27 Cb 0.72 -2.38 -0.03 0.00 -1.01 0.00 0.00 31.44 28.74 2kco n GLU 27 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2kco s ILE 28 N -1.40 3.58 0.00 -3.67 1.09 -1.26 -4.97 121.20 114.56 2kco s ILE 28 Ca 0.76 0.68 0.00 0.00 -1.10 0.00 0.00 60.65 61.00 2kco s ILE 28 Cb -0.41 -3.49 0.00 0.00 -1.06 0.00 0.00 42.46 37.50 2kco s ILE 28 CO 0.46 -0.12 0.00 0.61 -0.10 0.00 0.00 174.94 175.79 2kco n GLY 29 N 4.33 1.67 3.77 6.18 0.00 -1.26 -4.99 105.19 114.88 2kco n GLY 29 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 7.43 0.59 1.61 -0.87 -1.26 -5.08 114.94 116.36 2kco s ASN 30 Ca 0.00 1.70 -0.13 0.00 -1.57 0.00 0.00 52.86 52.86 2kco s ASN 30 Cb 0.00 -2.52 -0.05 0.00 -0.02 0.00 0.00 41.25 38.66 2kco s ASN 30 CO 0.00 0.17 1.02 -2.16 -2.57 0.00 0.00 177.10 173.56 2kco s PRO 31 N -0.99 3.59 0.68 -0.60 0.04 -1.26 -5.08 135.00 131.38 2kco s PRO 31 Ca 0.38 0.90 -0.11 0.00 0.04 0.00 0.00 61.00 62.21 2kco s PRO 31 Cb -0.23 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.23 2kco s PRO 31 CO 0.27 -0.58 1.06 -1.25 0.04 0.00 0.00 177.00 176.54 2kco s PRO 32 N -4.67 3.04 0.91 0.56 0.04 -1.26 -5.06 135.00 128.56 2kco s PRO 32 Ca 0.58 0.93 -0.11 0.00 0.04 0.00 0.00 61.00 62.44 2kco s PRO 32 Cb -0.12 -2.00 0.14 0.00 0.04 0.00 0.00 34.50 32.56 2kco s PRO 32 CO 0.45 -1.02 1.09 0.95 0.04 0.00 0.00 177.00 178.51 2kco s THR 33 N -3.05 2.60 0.38 1.26 -4.23 -1.26 -5.07 115.64 106.27 2kco s THR 33 Ca 0.58 0.19 0.07 0.00 -1.18 0.00 0.00 61.69 61.36 2kco s THR 33 Cb -0.14 -2.55 -0.01 0.00 1.34 0.00 0.00 72.50 71.14 2kco s THR 33 CO 0.54 -0.25 0.43 -0.36 -0.54 0.00 0.00 174.62 174.45 2kco s PHE 34 N -2.83 2.87 0.73 3.99 0.08 -1.26 -5.13 117.98 116.44 2kco s PHE 34 Ca 0.64 -0.36 -0.11 0.00 0.12 0.00 0.00 56.93 57.22 2kco s PHE 34 Cb -0.19 -2.11 0.03 0.00 -0.57 0.00 0.00 43.02 40.18 2kco s PHE 34 CO 0.58 -0.11 1.08 0.95 -0.10 0.00 0.00 175.22 177.61 2kco s THR 35 N -2.33 3.63 0.00 0.64 -4.23 -1.26 -5.09 115.64 107.00 2kco s THR 35 Ca 0.48 0.53 0.00 0.00 -1.18 0.00 0.00 61.69 61.52 2kco s THR 35 Cb -0.07 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.46 2kco s THR 35 CO 0.30 -0.69 0.00 0.35 -0.54 0.00 0.00 174.62 174.03 2kco n THR 36 N -3.22 0.00 -3.69 3.99 -2.24 -1.26 -5.14 114.28 102.72 2kco n THR 36 Ca 0.07 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.85 2kco n THR 36 Cb 0.55 -0.02 0.01 0.00 -2.10 0.00 0.00 70.33 68.76 2kco n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kco n LEU 37 N 0.00 0.00 -0.53 3.22 -0.00 -1.26 -5.06 117.00 113.38 2kco n LEU 37 Ca 0.00 -0.48 0.00 0.00 -0.00 0.00 0.00 56.01 55.53 2kco n LEU 37 Cb 0.00 1.03 0.00 0.00 -0.00 0.00 0.00 43.42 44.45 2kco n LEU 37 CO 0.00 -0.16 0.25 -0.24 -0.00 0.00 0.00 177.39 177.24 2kco n SER 38 N -0.78 0.03 0.03 1.45 2.88 -1.26 -4.95 113.62 111.02 2kco n SER 38 Ca -0.00 -2.00 -0.12 0.00 -1.33 0.00 0.00 58.87 55.42 2kco n SER 38 Cb 0.23 -0.20 -0.07 0.00 -0.75 0.00 0.00 64.21 63.42 2kco n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kco h ALA 39 N 0.03 0.02 -0.03 -1.46 0.00 -1.99 -2.00 119.26 113.82 2kco h ALA 39 Ca -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2kco h ALA 39 Cb 1.41 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2kco h ALA 39 CO 0.00 -0.46 -0.14 1.05 0.00 0.00 0.00 179.25 179.71 2kco h GLU 40 N -0.03 0.04 -0.27 0.00 4.11 -1.97 -0.66 114.58 115.81 2kco h GLU 40 Ca 0.00 -0.01 -0.07 0.00 0.07 0.00 0.00 59.36 59.35 2kco h GLU 40 Cb 0.05 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2kco h GLU 40 CO -0.00 0.19 -0.11 0.22 0.07 0.00 0.00 179.01 179.37 2kco h ASP 41 N 0.04 0.57 -0.11 3.06 3.58 -1.84 -0.35 116.42 121.37 2kco h ASP 41 Ca 0.01 -0.40 -0.06 0.00 0.42 0.00 0.00 57.03 57.00 2kco h ASP 41 Cb 0.28 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 2kco h ASP 41 CO 0.02 0.84 -0.11 0.40 -2.88 0.00 0.00 179.24 177.51 2kco h ILE 42 N 0.30 1.22 0.00 2.25 2.04 -1.04 -2.17 117.51 120.10 2kco h ILE 42 Ca 0.06 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 2kco h ILE 42 Cb 0.62 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2kco h ILE 42 CO 0.04 0.31 -0.06 0.03 0.00 0.00 0.00 178.15 178.47 2kco h ARG 43 N 0.42 0.00 0.12 2.37 2.47 -0.84 -1.09 114.38 117.83 2kco h ARG 43 Ca 0.08 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.53 2kco h ARG 43 Cb 0.45 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.77 2kco h ARG 43 CO 0.02 0.06 -1.23 0.97 0.56 0.00 0.00 179.97 180.35 2kco h ILE 44 N 0.00 1.48 -0.18 2.04 6.09 -0.41 0.10 117.51 126.63 2kco h ILE 44 Ca -0.00 -2.99 -0.09 0.00 -1.37 0.00 0.00 64.86 60.41 2kco h ILE 44 Cb 0.56 2.91 -0.01 0.00 0.47 0.00 0.00 36.82 40.74 2kco h ILE 44 CO 0.01 0.88 -0.29 0.50 -3.07 0.00 0.00 178.15 176.18 2kco h LYS 45 N 0.09 0.35 -0.09 2.19 3.64 -1.31 -2.84 116.57 118.60 2kco h LYS 45 Ca -0.14 -0.13 -0.16 0.00 -1.27 0.00 0.00 60.65 58.95 2kco h LYS 45 Cb 1.95 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.74 2kco h LYS 45 CO 0.20 0.61 -0.65 0.22 -2.27 0.00 0.00 179.45 177.57 2kco h ASP 46 N 0.31 0.42 0.22 4.20 3.58 -1.10 -3.27 116.42 120.78 2kco h ASP 46 Ca 0.04 -0.25 -0.20 0.00 0.42 0.00 0.00 57.03 57.04 2kco h ASP 46 Cb 0.67 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.60 2kco h ASP 46 CO 0.05 0.95 -0.79 0.08 -2.88 0.00 0.00 179.24 176.65 2kco h ARG 47 N 0.26 0.47 -0.61 0.28 0.11 -0.68 -3.23 114.38 110.98 2kco h ARG 47 Ca -0.01 -0.41 0.00 0.00 0.10 0.00 0.00 59.98 59.66 2kco h ARG 47 Cb 1.19 0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.36 2kco h ARG 47 CO 0.11 1.05 0.00 -2.37 0.10 0.00 0.00 179.97 178.86 2kco n THR 48 N -3.83 0.71 -1.67 0.08 5.66 -1.08 -4.95 114.28 109.21 2kco n THR 48 Ca -0.05 -0.43 -0.38 0.00 -3.05 0.00 0.00 64.05 60.13 2kco n THR 48 Cb 0.75 -0.18 0.05 0.00 -1.55 0.00 0.00 70.33 69.40 2kco n THR 48 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kco n LEU 49 N 0.24 4.42 -4.80 1.09 -0.00 -1.22 -5.00 117.00 111.72 2kco n LEU 49 Ca 0.09 0.88 -0.29 0.00 -0.00 0.00 0.00 56.01 56.69 2kco n LEU 49 Cb 0.43 -1.46 0.12 0.00 -0.00 0.00 0.00 43.42 42.51 2kco n LEU 49 CO 0.09 -1.35 0.72 -0.83 -0.00 0.00 0.00 177.39 176.02 2kco s GLY 50 N -1.12 1.59 0.00 1.47 0.00 -1.26 -5.10 107.32 102.90 2kco s GLY 50 Ca 0.74 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 45.00 2kco s GLY 50 CO 0.48 0.06 0.00 0.61 0.00 0.00 0.00 173.10 174.24 2kco n GLY 51 N -2.30 0.60 3.25 0.20 0.00 -1.26 -5.11 105.19 100.57 2kco n GLY 51 Ca 0.07 -1.43 -0.24 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.07 2.37 0.52 1.61 0.01 -1.26 -5.14 114.94 111.97 2kco s ASN 52 Ca 0.00 -0.57 -0.21 0.00 -0.71 0.00 0.00 52.86 51.37 2kco s ASN 52 Cb 0.00 -0.17 -0.06 0.00 0.41 0.00 0.00 41.25 41.43 2kco s ASN 52 CO 0.00 0.10 1.21 0.12 -1.51 0.00 0.00 177.10 177.02 2kco s PHE 53 N -0.93 2.62 0.69 2.20 5.36 -1.26 -5.05 117.98 121.61 2kco s PHE 53 Ca 0.06 1.50 -0.00 0.00 -0.96 0.00 0.00 56.93 57.53 2kco s PHE 53 Cb -0.09 -3.47 0.11 0.00 -0.34 0.00 0.00 43.02 39.23 2kco s PHE 53 CO 0.02 -1.95 0.96 0.15 -1.46 0.00 0.00 175.22 172.94 2kco s LYS 54 N -2.96 1.83 0.52 10.12 -0.14 -1.26 -5.11 119.74 122.73 2kco s LYS 54 Ca 0.70 -1.07 -0.06 0.00 -1.36 0.00 0.00 55.97 54.17 2kco s LYS 54 Cb -0.31 -2.36 -0.03 0.00 -1.68 0.00 0.00 37.83 33.46 2kco s LYS 54 CO 0.36 -1.32 0.83 0.14 -0.76 0.00 0.00 175.35 174.60 2kco s VAL 55 N -3.08 4.65 0.17 3.17 -7.23 -1.26 -5.12 120.40 111.71 2kco s VAL 55 Ca 0.65 0.23 0.09 0.00 -1.81 0.00 0.00 61.98 61.14 2kco s VAL 55 Cb -0.06 -3.79 -0.04 0.00 0.56 0.00 0.00 36.38 33.05 2kco s VAL 55 CO 0.43 -0.81 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.18 2kco s ARG 56 N -4.84 2.02 0.31 4.82 0.52 -1.26 -5.13 118.95 115.39 2kco s ARG 56 Ca 0.49 -1.26 -0.28 0.00 -0.52 0.00 0.00 55.73 54.17 2kco s ARG 56 Cb -0.10 -2.15 -0.09 0.00 0.52 0.00 0.00 34.95 33.12 2kco s ARG 56 CO 0.46 0.44 1.06 -0.51 0.02 0.00 0.00 175.30 176.77 2kco s LEU 57 N -2.72 4.44 0.34 2.53 1.02 -1.26 -5.08 118.68 117.95 2kco s LEU 57 Ca 0.24 2.14 0.08 0.00 0.02 0.00 0.00 54.13 56.61 2kco s LEU 57 Cb -0.09 -3.80 -0.04 0.00 0.02 0.00 0.00 46.19 42.28 2kco s LEU 57 CO 0.14 -0.20 0.14 -1.59 0.02 0.00 0.00 176.35 174.87 2kco s LYS 58 N -1.74 2.36 -0.57 1.70 0.00 -1.26 -5.09 119.74 115.15 2kco s LYS 58 Ca 0.48 -1.56 -0.28 0.00 0.00 0.00 0.00 55.97 54.61 2kco s LYS 58 Cb -0.28 -2.17 0.03 0.00 0.00 0.00 0.00 37.83 35.42 2kco s LYS 58 CO 0.35 0.10 1.17 0.71 0.00 0.00 0.00 175.35 177.68 2kco s TYR 59 N -2.43 2.64 0.33 1.78 1.51 -1.26 -5.03 117.35 114.88 2kco s TYR 59 Ca 0.38 0.41 -0.26 0.00 -1.01 0.00 0.00 57.07 56.58 2kco s TYR 59 Cb -0.02 -4.48 -0.10 0.00 -0.11 0.00 0.00 41.96 37.26 2kco s TYR 59 CO 0.23 -1.54 0.99 0.95 -1.11 0.00 0.00 175.55 175.06 2kco s THR 60 N 4.84 4.00 -0.13 -0.71 -4.23 -1.26 -4.99 115.64 113.14 2kco s THR 60 Ca 0.42 1.70 -0.29 0.00 -1.18 0.00 0.00 61.69 62.35 2kco s THR 60 Cb -0.08 -3.97 -0.05 0.00 1.34 0.00 0.00 72.50 69.74 2kco s THR 60 CO 0.26 0.18 1.86 -0.89 -0.54 0.00 0.00 174.62 175.49 2kco s THR 61 N -1.52 3.33 0.21 3.99 2.01 -1.26 -4.96 115.64 117.44 2kco s THR 61 Ca 0.50 0.38 0.10 0.00 0.31 0.00 0.00 61.69 62.98 2kco s THR 61 Cb -0.22 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 2kco s THR 61 CO 0.28 -0.12 -0.19 0.42 -0.69 0.00 0.00 174.62 174.31 2kco s THR 62 N 5.64 2.09 -0.09 -0.82 -4.23 -1.24 -2.12 115.64 114.87 2kco s THR 62 Ca 0.83 -2.14 0.04 0.00 -1.18 0.00 0.00 61.69 59.24 2kco s THR 62 Cb -0.33 -2.07 -0.00 0.00 1.34 0.00 0.00 72.50 71.44 2kco s THR 62 CO 0.34 -0.37 -0.24 0.00 -0.54 0.00 0.00 174.62 173.81 2kco s ALA 63 N -2.32 2.15 -1.04 3.99 0.00 -0.51 -2.23 121.76 121.80 2kco s ALA 63 Ca 0.22 -0.97 -0.16 0.00 0.00 0.00 0.00 51.96 51.05 2kco s ALA 63 Cb -0.05 -0.78 0.16 0.00 0.00 0.00 0.00 23.12 22.45 2kco s ALA 63 CO 0.10 0.31 1.23 1.21 0.00 0.00 0.00 175.76 178.60 2kco s ASN 64 N 0.26 6.86 -0.43 0.00 3.04 -0.74 -2.95 114.94 120.98 2kco s ASN 64 Ca -0.16 -2.56 -0.29 0.00 0.04 0.00 0.00 52.86 49.89 2kco s ASN 64 Cb -0.17 -2.38 0.03 0.00 -1.54 0.00 0.00 41.25 37.19 2kco s ASN 64 CO 0.08 -0.86 1.12 -0.69 -3.04 0.00 0.00 177.10 173.71 2kco s VAL 65 N 1.85 4.29 0.00 -5.21 1.01 -0.37 -1.04 120.40 120.94 2kco s VAL 65 Ca 0.36 1.38 -0.30 0.00 0.00 0.00 0.00 61.98 63.41 2kco s VAL 65 Cb -0.05 -4.54 -0.06 0.00 0.00 0.00 0.00 36.38 31.73 2kco s VAL 65 CO -0.06 -0.85 1.51 -0.22 0.00 0.00 0.00 175.10 175.49 2kco s LEU 66 N 4.22 4.33 -0.46 3.92 1.98 -0.66 0.37 118.68 132.37 2kco s LEU 66 Ca 0.47 2.23 -0.18 0.00 -2.89 0.00 0.00 54.13 53.76 2kco s LEU 66 Cb -0.09 -3.56 0.04 0.00 0.66 0.00 0.00 46.19 43.25 2kco s LEU 66 CO 0.27 -0.81 0.52 -0.62 -1.89 0.00 0.00 176.35 173.82 2kco s ASP 67 N 2.29 6.21 0.60 3.68 -1.08 -0.60 -3.14 116.67 124.62 2kco s ASP 67 Ca 0.68 -0.85 0.33 0.00 -0.52 0.00 0.00 52.55 52.19 2kco s ASP 67 Cb -0.34 -2.25 1.93 0.00 -1.46 0.00 0.00 42.92 40.80 2kco s ASP 67 CO 0.28 -0.73 2.28 1.55 0.52 0.00 0.00 175.17 179.07 2kco h PRO 68 N 8.85 0.00 -0.02 4.34 0.13 -1.89 0.44 132.00 143.85 2kco h PRO 68 Ca -0.27 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.80 2kco h PRO 68 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2kco h PRO 68 CO 0.88 0.00 -0.24 0.00 -0.23 0.00 0.00 178.00 178.42 2kco h ALA 69 N 2.00 0.06 0.00 -0.56 0.00 -1.93 -3.29 119.26 115.53 2kco h ALA 69 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2kco h ALA 69 Cb 0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2kco h ALA 69 CO 0.00 0.08 -0.61 0.25 0.00 0.00 0.00 179.25 178.97 2kco n THR 70 N -4.52 0.13 -3.07 0.00 -2.24 -1.12 -4.97 114.28 98.48 2kco n THR 70 Ca -0.09 -0.11 -0.23 0.00 -2.27 0.00 0.00 64.05 61.35 2kco n THR 70 Cb 0.48 0.14 0.03 0.00 -2.10 0.00 0.00 70.33 68.88 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 -1.74 -5.89 -3.98 3.42 4.05 0.15 -5.00 115.26 106.27 2kco n ASN 71 Ca 0.04 -0.31 -0.23 0.00 0.45 0.00 0.00 54.58 54.54 2kco n ASN 71 Cb 0.38 -4.77 -0.16 0.00 1.23 0.00 0.00 39.78 36.46 2kco n ASN 71 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 2kco s THR 72 N -3.16 0.93 0.19 -0.44 -4.23 -1.13 -4.92 115.64 102.88 2kco s THR 72 Ca 0.32 -0.36 -0.23 0.00 -1.18 0.00 0.00 61.69 60.25 2kco s THR 72 Cb -0.15 -0.87 -0.08 0.00 1.34 0.00 0.00 72.50 72.74 2kco s THR 72 CO 0.40 0.31 0.76 0.00 -0.54 0.00 0.00 174.62 175.55 2kco s ALA 73 N 0.75 3.43 0.02 3.99 0.00 -1.26 -1.56 121.76 127.12 2kco s ALA 73 Ca -0.13 0.29 -0.01 0.00 0.00 0.00 0.00 51.96 52.10 2kco s ALA 73 Cb -0.15 -2.91 -0.02 0.00 0.00 0.00 0.00 23.12 20.04 2kco s ALA 73 CO 0.02 0.30 -0.00 -1.59 0.00 0.00 0.00 175.76 174.49 2kco s LYS 74 N -1.49 0.38 -0.37 0.00 -2.85 0.16 -4.89 119.74 110.67 2kco s LYS 74 Ca 0.39 -0.66 -0.08 0.00 -1.00 0.00 0.00 55.97 54.62 2kco s LYS 74 Cb -0.20 0.14 0.06 0.00 -2.06 0.00 0.00 37.83 35.76 2kco s LYS 74 CO 0.24 -0.07 0.17 0.15 0.10 0.00 0.00 175.35 175.94 2kco s LYS 75 N -1.80 2.59 0.13 1.78 1.02 -1.26 -1.23 119.74 120.97 2kco s LYS 75 Ca -0.13 -1.31 0.10 0.00 0.02 0.00 0.00 55.97 54.66 2kco s LYS 75 Cb -0.07 -3.60 -0.04 0.00 -0.52 0.00 0.00 37.83 33.60 2kco s LYS 75 CO -0.02 -0.79 -0.25 0.14 -0.92 0.00 0.00 175.35 173.51 2kco s VAL 76 N 1.41 2.09 0.45 3.17 -7.23 -1.15 -4.98 120.40 114.15 2kco s VAL 76 Ca 0.01 -1.73 -0.23 0.00 -1.81 0.00 0.00 61.98 58.22 2kco s VAL 76 Cb -0.21 -1.87 -0.08 0.00 0.56 0.00 0.00 36.38 34.78 2kco s VAL 76 CO 0.02 0.01 1.14 -0.75 -0.31 0.00 0.00 175.10 175.21 2kco s LYS 77 N -2.10 3.84 -0.14 4.82 2.36 -1.26 -1.42 119.74 125.84 2kco s LYS 77 Ca 0.12 1.71 -0.24 0.00 -2.55 0.00 0.00 55.97 55.01 2kco s LYS 77 Cb -0.10 -2.43 -0.02 0.00 -1.05 0.00 0.00 37.83 34.23 2kco s LYS 77 CO 0.06 -0.46 0.76 0.42 1.55 0.00 0.00 175.35 177.67 2kco s ILE 78 N -1.58 4.96 0.00 5.43 1.01 -0.90 -3.13 121.20 126.99 2kco s ILE 78 Ca 0.62 1.51 0.00 0.00 0.00 0.00 0.00 60.65 62.78 2kco s ILE 78 Cb -0.27 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.12 2kco s ILE 78 CO 0.33 0.12 0.00 0.18 0.00 0.00 0.00 174.94 175.57 2kco n LEU 79 N 4.69 2.22 -3.54 2.97 4.77 -0.38 -5.02 117.00 122.71 2kco n LEU 79 Ca 0.02 0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.91 2kco n LEU 79 Cb 0.50 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 2kco n LEU 79 CO 0.47 -0.01 0.53 -1.83 -1.33 0.00 0.00 177.39 175.22 2kco s GLU 80 N -0.02 1.19 0.17 3.23 1.03 -1.20 -4.98 118.70 118.12 2kco s GLU 80 Ca 0.00 -0.50 -0.28 0.00 0.03 0.00 0.00 54.97 54.22 2kco s GLU 80 Cb 0.00 0.51 -0.08 0.00 -0.80 0.00 0.00 34.13 33.76 2kco s GLU 80 CO 0.00 -0.53 0.87 0.96 -1.33 0.00 0.00 175.26 175.23 2kco s ILE 81 N -3.53 4.34 -0.12 1.83 -0.00 -1.26 -0.54 121.20 121.91 2kco s ILE 81 Ca 0.05 1.91 -0.11 0.00 -0.00 0.00 0.00 60.65 62.50 2kco s ILE 81 Cb -0.02 -4.24 -0.05 0.00 -0.00 0.00 0.00 42.46 38.14 2kco s ILE 81 CO -0.08 0.45 -0.23 0.18 -0.00 0.00 0.00 174.94 175.26 2kco n LEU 82 N 1.97 1.50 -4.58 0.37 7.99 -0.60 -4.90 117.00 118.75 2kco n LEU 82 Ca -0.02 0.25 -0.43 0.00 -0.01 0.00 0.00 56.01 55.80 2kco n LEU 82 Cb 0.48 -0.57 -0.03 0.00 -0.11 0.00 0.00 43.42 43.19 2kco n LEU 82 CO 0.49 -0.11 0.95 -0.70 -1.51 0.00 0.00 177.39 176.51 2kco s GLU 83 N -2.49 3.61 -0.14 3.23 2.12 -1.24 -4.98 118.70 118.81 2kco s GLU 83 Ca -0.22 0.36 -0.29 0.00 0.36 0.00 0.00 54.97 55.18 2kco s GLU 83 Cb 0.05 -3.94 -0.05 0.00 0.26 0.00 0.00 34.13 30.46 2kco s GLU 83 CO 0.30 -1.41 1.75 -0.08 -0.54 0.00 0.00 175.26 175.28 2kco s THR 84 N 4.35 3.49 0.82 -1.70 -1.32 -1.26 -3.87 115.64 116.15 2kco s THR 84 Ca 0.43 0.57 -0.12 0.00 -1.21 0.00 0.00 61.69 61.36 2kco s THR 84 Cb -0.08 -3.46 0.08 0.00 -1.51 0.00 0.00 72.50 67.53 2kco s THR 84 CO 0.29 -0.16 1.12 -2.16 -2.21 0.00 0.00 174.62 171.50 2kco s PRO 85 N 4.67 1.91 0.39 7.08 0.04 -1.26 -4.95 135.00 142.88 2kco s PRO 85 Ca 0.78 0.42 0.08 0.00 0.04 0.00 0.00 61.00 62.31 2kco s PRO 85 Cb -0.31 -1.92 0.82 0.00 0.04 0.00 0.00 34.50 33.14 2kco s PRO 85 CO 0.32 -1.69 1.98 0.00 0.04 0.00 0.00 177.00 177.65 2kco h ALA 86 N -1.13 1.76 -1.05 8.56 0.00 -1.99 -2.07 119.26 123.35 2kco h ALA 86 Ca -0.48 -0.02 -0.74 0.00 0.00 0.00 0.00 54.91 53.68 2kco h ALA 86 Cb 1.30 -0.17 -0.29 0.00 0.00 0.00 0.00 17.79 18.63 2kco h ALA 86 CO 0.62 0.14 0.83 0.27 0.00 0.00 0.00 179.25 181.11 2kco n ASN 87 N -4.47 7.24 -0.17 0.00 6.94 -1.26 -4.73 115.26 118.80 2kco n ASN 87 Ca 0.09 -3.82 -0.04 0.00 -0.02 0.00 0.00 54.58 50.79 2kco n ASN 87 Cb 0.22 -0.98 0.06 0.00 -2.36 0.00 0.00 39.78 36.71 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 2.80 0.46 0.00 -3.83 -0.00 -1.72 -0.92 116.57 113.37 2kco h LYS 88 Ca 0.55 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.65 61.15 2kco h LYS 88 Cb 0.25 -0.10 -0.00 0.00 -0.00 0.00 0.00 32.23 32.37 2kco h LYS 88 CO 1.39 0.31 -0.06 1.05 -0.00 0.00 0.00 179.45 182.13 2kco h GLU 89 N 0.48 0.00 0.18 0.07 9.09 -1.87 -0.66 114.58 121.87 2kco h GLU 89 Ca 0.23 0.00 -0.32 0.00 0.05 0.00 0.00 59.36 59.32 2kco h GLU 89 Cb 0.16 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.27 2kco h GLU 89 CO -0.17 0.06 -1.56 -0.07 0.05 0.00 0.00 179.01 177.32 2kco h LEU 90 N 0.00 0.61 -2.84 3.06 3.38 -1.77 -3.33 115.31 114.42 2kco h LEU 90 Ca -0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.05 2kco h LEU 90 Cb 0.29 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2kco h LEU 90 CO 0.01 1.71 0.00 0.00 0.09 0.00 0.00 178.44 180.26 2kco h ALA 91 N 0.08 1.15 -0.38 1.53 0.00 -0.19 -0.52 119.26 120.93 2kco h ALA 91 Ca -0.30 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2kco h ALA 91 Cb 2.01 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.79 2kco h ALA 91 CO 0.17 -0.01 0.15 0.00 0.00 0.00 0.00 179.25 179.56 2kco h ARG 92 N 0.00 0.57 0.00 0.00 3.08 -1.26 -2.52 114.38 114.25 2kco h ARG 92 Ca 0.00 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 2kco h ARG 92 Cb 0.01 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 2kco h ARG 92 CO -0.00 0.55 -0.16 0.00 -1.07 0.00 0.00 179.97 179.29 2kco h ARG 93 N 0.46 0.00 0.00 0.04 3.08 -1.35 -3.47 114.38 113.14 2kco h ARG 93 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 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 -0.01 0.16 0.00 0.41 -1.07 0.00 0.00 179.97 179.46 2kco n GLY 94 N 0.01 1.00 3.52 0.04 0.00 -0.63 -5.05 105.19 104.07 2kco n GLY 94 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 4.50 -0.01 -0.61 -1.09 -0.33 -4.86 121.20 116.79 2kco s ILE 95 Ca 0.00 -1.94 -0.10 0.00 -2.23 0.00 0.00 60.65 56.39 2kco s ILE 95 Cb 0.00 -5.01 -0.05 0.00 -1.58 0.00 0.00 42.46 35.82 2kco s ILE 95 CO 0.00 -1.79 0.31 -0.63 -1.23 0.00 0.00 174.94 171.59 2kco s ILE 96 N 3.18 5.23 0.08 2.92 1.01 -1.26 -1.78 121.20 130.57 2kco s ILE 96 Ca 0.45 0.45 -0.05 0.00 0.00 0.00 0.00 60.65 61.50 2kco s ILE 96 Cb -0.00 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 2kco s ILE 96 CO -0.00 0.49 0.32 -0.51 0.00 0.00 0.00 174.94 175.23 2kco s ILE 97 N -1.18 5.23 -0.01 2.92 2.07 -1.26 -4.62 121.20 124.35 2kco s ILE 97 Ca 0.24 0.07 -0.32 0.00 -1.41 0.00 0.00 60.65 59.23 2kco s ILE 97 Cb -0.14 -3.61 -0.11 0.00 0.13 0.00 0.00 42.46 38.73 2kco s ILE 97 CO 0.13 0.19 1.90 -1.14 -1.91 0.00 0.00 174.94 174.11 2kco n ARG 98 N 0.56 2.50 0.00 3.50 0.00 -1.26 -2.55 116.66 119.41 2kco n ARG 98 Ca -0.06 0.92 0.00 0.00 -0.00 0.00 0.00 57.85 58.70 2kco n ARG 98 Cb 0.52 -2.81 0.00 0.00 0.00 0.00 0.00 32.46 30.17 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 4.41 1.26 3.77 5.14 0.00 -0.18 -5.02 105.19 114.56 2kco n GLY 99 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 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 3.46 0.29 4.61 0.00 -1.06 -4.85 121.76 122.21 2kco s ALA 100 Ca 0.00 0.20 -0.28 0.00 0.00 0.00 0.00 51.96 51.88 2kco s ALA 100 Cb 0.00 -2.86 -0.09 0.00 0.00 0.00 0.00 23.12 20.17 2kco s ALA 100 CO 0.00 0.20 0.96 0.15 0.00 0.00 0.00 175.76 177.07 2kco s LYS 101 N -0.54 4.68 0.05 0.00 3.01 -1.25 -1.89 119.74 123.79 2kco s LYS 101 Ca 0.34 1.43 0.01 0.00 -1.01 0.00 0.00 55.97 56.74 2kco s LYS 101 Cb -0.20 -3.01 -0.03 0.00 -1.01 0.00 0.00 37.83 33.58 2kco s LYS 101 CO 0.22 0.35 -0.05 -1.50 0.51 0.00 0.00 175.35 174.88 2kco s ILE 102 N -1.41 0.35 -0.12 2.17 2.07 0.07 -1.56 121.20 122.77 2kco s ILE 102 Ca 0.46 -1.35 -0.00 0.00 -1.41 0.00 0.00 60.65 58.35 2kco s ILE 102 Cb -0.23 -0.90 -0.02 0.00 0.13 0.00 0.00 42.46 41.44 2kco s ILE 102 CO 0.28 -0.66 -0.13 -0.13 -1.91 0.00 0.00 174.94 172.40 2kco s ARG 103 N -2.50 3.33 0.50 3.50 0.52 0.30 -1.17 118.95 123.43 2kco s ARG 103 Ca -0.04 -0.68 0.02 0.00 -0.52 0.00 0.00 55.73 54.51 2kco s ARG 103 Cb -0.03 -2.63 -0.02 0.00 0.52 0.00 0.00 34.95 32.79 2kco s ARG 103 CO -0.03 0.25 0.00 0.95 0.02 0.00 0.00 175.30 176.49 2kco s THR 104 N 0.26 1.24 -0.02 0.02 -4.23 -0.50 -1.25 115.64 111.15 2kco s THR 104 Ca -0.09 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.74 2kco s THR 104 Cb -0.15 -2.24 0.35 0.00 1.34 0.00 0.00 72.50 71.79 2kco s THR 104 CO 0.05 0.00 1.93 -0.33 -0.54 0.00 0.00 174.62 175.73 2kco h GLU 105 N 1.39 0.00 0.00 3.99 5.08 -1.85 -3.26 114.58 119.93 2kco h GLU 105 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 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 0.75 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.76 2kco n ALA 106 N -1.97 -0.12 -3.00 3.43 0.00 -1.26 -5.08 120.51 112.51 2kco n ALA 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kco n ALA 106 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 1.07 2.83 3.69 0.00 0.00 -1.23 -5.11 105.19 106.44 2kco n GLY 107 Ca 0.00 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 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 4.28 0.15 0.99 2.96 -1.26 -1.41 118.68 124.39 2kco s LEU 108 Ca 0.00 1.85 0.07 0.00 -0.22 0.00 0.00 54.13 55.84 2kco s LEU 108 Cb 0.00 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.09 2kco s LEU 108 CO 0.00 -0.60 -0.16 0.00 -1.32 0.00 0.00 176.35 174.27 2kco s ALA 109 N 2.25 1.78 -0.20 5.97 0.00 -0.32 -3.51 121.76 127.73 2kco s ALA 109 Ca 0.57 -1.42 -0.06 0.00 0.00 0.00 0.00 51.96 51.05 2kco s ALA 109 Cb -0.26 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 2kco s ALA 109 CO 0.22 0.16 0.02 0.54 0.00 0.00 0.00 175.76 176.70 2kco s VAL 110 N -2.20 4.15 -0.03 0.00 0.11 -0.06 -0.75 120.40 121.62 2kco s VAL 110 Ca 0.14 -0.25 -0.30 0.00 -2.93 0.00 0.00 61.98 58.64 2kco s VAL 110 Cb -0.05 -2.88 -0.07 0.00 -1.53 0.00 0.00 36.38 31.86 2kco s VAL 110 CO 0.05 0.42 1.78 0.68 -3.33 0.00 0.00 175.10 174.71 2kco s VAL 111 N 0.93 3.37 -0.64 2.04 -7.23 -0.79 -0.90 120.40 117.17 2kco s VAL 111 Ca 0.02 0.44 0.07 0.00 -1.81 0.00 0.00 61.98 60.70 2kco s VAL 111 Cb -0.14 -3.30 0.18 0.00 0.56 0.00 0.00 36.38 33.68 2kco s VAL 111 CO 0.02 -0.05 1.10 0.35 -0.31 0.00 0.00 175.10 176.21 2kco n THR 112 N 5.61 0.86 -4.09 5.32 -2.24 -0.01 -1.02 114.28 118.71 2kco n THR 112 Ca 0.19 -0.93 -0.12 0.00 -2.27 0.00 0.00 64.05 60.92 2kco n THR 112 Cb 0.42 0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 69.19 2kco n THR 112 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kco s SER 113 N -0.94 0.39 0.62 3.42 0.01 -1.04 -4.99 113.70 111.18 2kco s SER 113 Ca 0.14 -1.26 -0.12 0.00 1.31 0.00 0.00 55.95 56.02 2kco s SER 113 Cb 0.07 0.57 -0.04 0.00 0.21 0.00 0.00 66.02 66.84 2kco s SER 113 CO 0.10 -1.13 1.03 0.00 0.41 0.00 0.00 173.24 173.65 2kco s ARG 114 N -3.67 3.51 0.08 12.44 3.03 -1.26 -4.48 118.95 128.60 2kco s ARG 114 Ca 0.30 0.82 -0.34 0.00 2.03 0.00 0.00 55.73 58.54 2kco s ARG 114 Cb 0.01 -2.07 -0.13 0.00 -1.03 0.00 0.00 34.95 31.74 2kco s ARG 114 CO 0.14 -0.64 1.70 -2.30 -1.13 0.00 0.00 175.30 173.08 2kco n PRO 115 N -2.68 2.24 -1.34 3.89 -0.02 -1.26 -4.29 135.00 131.55 2kco n PRO 115 Ca 0.06 0.81 -0.29 0.00 -2.02 0.00 0.00 63.50 62.06 2kco n PRO 115 Cb 0.54 -2.62 0.20 0.00 -0.02 0.00 0.00 33.50 31.59 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 2.08 1.61 0.51 -1.23 0.00 -0.24 -4.83 107.32 105.22 2kco s GLY 116 Ca 0.83 -0.79 0.25 0.00 0.00 0.00 0.00 44.72 45.02 2kco s GLY 116 CO 0.42 -0.04 2.07 1.46 0.00 0.00 0.00 173.10 177.01 2kco h GLN 117 N -2.06 0.00 0.00 2.90 7.50 -1.95 -0.09 115.11 121.41 2kco h GLN 117 Ca -0.48 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.67 2kco h GLN 117 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.83 2kco h GLN 117 CO 0.46 0.12 0.00 -0.25 -1.50 0.00 0.00 178.83 177.66 2kco n ASP 118 N -3.77 0.34 -0.40 1.46 9.92 -1.26 -4.89 116.55 117.95 2kco n ASP 118 Ca -0.02 0.54 -0.01 0.00 -0.53 0.00 0.00 54.79 54.78 2kco n ASP 118 Cb 0.23 -0.63 0.00 0.00 -0.64 0.00 0.00 41.12 40.08 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 1.02 0.65 3.27 0.44 0.00 -0.05 -4.84 105.19 105.68 2kco n GLY 119 Ca 0.05 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 2kco n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kco s VAL 120 N -2.59 4.11 -0.42 1.61 0.11 -1.24 -3.65 120.40 118.33 2kco s VAL 120 Ca 0.01 -1.36 -0.21 0.00 -2.93 0.00 0.00 61.98 57.49 2kco s VAL 120 Cb -0.01 -3.48 0.02 0.00 -1.53 0.00 0.00 36.38 31.38 2kco s VAL 120 CO 0.02 -0.44 0.66 -0.63 -3.33 0.00 0.00 175.10 171.38 2kco s ILE 121 N 1.41 4.82 0.24 7.04 1.09 -0.95 -1.08 121.20 133.77 2kco s ILE 121 Ca 0.02 0.27 -0.30 0.00 -1.10 0.00 0.00 60.65 59.54 2kco s ILE 121 Cb -0.22 -4.19 -0.10 0.00 -1.06 0.00 0.00 42.46 36.88 2kco s ILE 121 CO 0.02 -0.55 1.51 0.20 -0.10 0.00 0.00 174.94 176.02 2kco s ASN 122 N 1.97 6.56 0.17 3.58 -0.87 -1.26 -1.79 114.94 123.30 2kco s ASN 122 Ca 0.24 2.74 0.03 0.00 -1.57 0.00 0.00 52.86 54.30 2kco s ASN 122 Cb -0.14 -2.62 -0.05 0.00 -0.02 0.00 0.00 41.25 38.43 2kco s ASN 122 CO 0.19 -0.79 -0.04 0.00 -2.57 0.00 0.00 177.10 173.89 2kco s ALA 123 N 0.26 1.43 -0.07 0.60 0.00 -0.21 -0.83 121.76 122.93 2kco s ALA 123 Ca 0.63 -1.57 0.03 0.00 0.00 0.00 0.00 51.96 51.05 2kco s ALA 123 Cb -0.44 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.02 2kco s ALA 123 CO 0.42 -0.23 -0.15 0.08 0.00 0.00 0.00 175.76 175.88 2kco s VAL 124 N -3.51 1.36 0.15 0.00 1.01 -0.08 -1.66 120.40 117.67 2kco s VAL 124 Ca 0.21 -0.62 -0.31 0.00 0.00 0.00 0.00 61.98 61.26 2kco s VAL 124 Cb 0.05 -1.21 -0.09 0.00 0.00 0.00 0.00 36.38 35.13 2kco s VAL 124 CO 0.03 0.40 1.46 -0.76 0.00 0.00 0.00 175.10 176.23 2kco s LEU 125 N 0.47 4.37 0.00 3.92 1.43 -1.19 -0.89 118.68 126.80 2kco s LEU 125 Ca -0.13 2.47 0.31 0.00 -1.03 0.00 0.00 54.13 55.75 2kco s LEU 125 Cb -0.15 -3.59 1.59 0.00 0.03 0.00 0.00 46.19 44.06 2kco s LEU 125 CO 0.04 -0.72 2.08 0.18 0.23 0.00 0.00 176.35 178.16 2kco n LEU 126 N 3.73 0.07 -0.91 1.79 4.32 -1.23 -4.61 117.00 120.15 2kco n LEU 126 Ca 0.12 0.17 -0.12 0.00 -0.02 0.00 0.00 56.01 56.16 2kco n LEU 126 Cb 0.41 -0.20 -0.05 0.00 -1.62 0.00 0.00 43.42 41.96 2kco n LEU 126 CO 0.60 0.01 -0.11 0.29 -1.22 0.00 0.00 177.39 176.96 2kco n LYS 127 N -1.16 -0.98 -3.65 3.23 4.76 -1.26 -4.93 118.16 114.17 2kco n LYS 127 Ca 0.17 0.90 -0.02 0.00 -2.87 0.00 0.00 58.31 56.49 2kco n LYS 127 Cb 0.21 -4.96 -0.01 0.00 -1.84 0.00 0.00 35.03 28.43 2kco n LYS 127 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2kco s ASN 128 N -2.76 -0.14 -0.58 4.39 4.22 -1.26 -5.12 114.94 113.70 2kco s ASN 128 Ca 0.00 -0.19 -0.28 0.00 -2.14 0.00 0.00 52.86 50.25 2kco s ASN 128 Cb 0.00 0.29 0.03 0.00 1.28 0.00 0.00 41.25 42.84 2kco s ASN 128 CO 0.00 -0.52 1.24 -1.83 -2.04 0.00 0.00 177.10 173.96 2kco s GLU 129 N -2.78 3.47 -0.12 3.55 -1.05 -1.26 -4.84 118.70 115.68 2kco s GLU 129 Ca 0.12 0.30 -0.29 0.00 -0.15 0.00 0.00 54.97 54.94 2kco s GLU 129 Cb 0.01 -4.04 -0.05 0.00 -0.44 0.00 0.00 34.13 29.61 2kco s GLU 129 CO -0.03 -1.74 1.79 -1.54 0.95 0.00 0.00 175.26 174.70 2kco s SER 130 N 3.28 6.33 -0.13 0.83 1.04 -1.26 -4.93 113.70 118.86 2kco s SER 130 Ca 0.45 2.06 -0.29 0.00 0.48 0.00 0.00 55.95 58.65 2kco s SER 130 Cb -0.08 -2.53 -0.06 0.00 0.10 0.00 0.00 66.02 63.45 2kco s SER 130 CO 0.25 -1.23 1.95 -1.58 0.98 0.00 0.00 173.24 173.62 2kco s GLN 131 N 4.70 3.67 -0.90 4.02 0.74 -1.26 -4.94 119.66 125.70 2kco s GLN 131 Ca 0.80 2.11 -0.19 0.00 0.05 0.00 0.00 55.36 58.13 2kco s GLN 131 Cb -0.32 -4.20 0.13 0.00 1.10 0.00 0.00 33.01 29.71 2kco s GLN 131 CO 0.33 -1.48 1.09 0.50 -0.55 0.00 0.00 175.29 175.18 2kco s ARG 132 N 5.22 3.54 0.00 1.67 6.06 -1.26 -5.24 118.95 128.94 2kco s ARG 132 Ca 0.88 -1.69 0.00 0.00 -2.50 0.00 0.00 55.73 52.42 2kco s ARG 132 Cb -0.34 -4.83 0.00 0.00 0.06 0.00 0.00 34.95 29.84 2kco s ARG 132 CO 0.36 -1.76 0.00 0.43 -2.50 0.00 0.00 175.30 171.82