#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 2.90 3.54 3.03 0.00 -1.26 -5.08 105.19 108.33 2kco n GLY 2 Ca 0.00 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 2kco n GLY 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2kco s PHE 3 N -2.00 2.33 -0.42 1.61 2.19 -1.26 -4.97 117.98 115.46 2kco s PHE 3 Ca 0.00 -0.15 -0.28 0.00 0.33 0.00 0.00 56.93 56.83 2kco s PHE 3 Cb 0.00 -4.61 -0.01 0.00 -1.31 0.00 0.00 43.02 37.08 2kco s PHE 3 CO 0.00 -2.04 1.76 0.71 1.83 0.00 0.00 175.22 177.48 2kco s TYR 4 N 5.56 1.85 -0.03 10.12 2.02 -1.26 -4.97 117.35 130.64 2kco s TYR 4 Ca 0.35 0.68 -0.02 0.00 -0.37 0.00 0.00 57.07 57.71 2kco s TYR 4 Cb -0.08 -4.14 0.01 0.00 -0.40 0.00 0.00 41.96 37.35 2kco s TYR 4 CO 0.12 -2.63 0.08 1.14 -1.57 0.00 0.00 175.55 172.69 2kco s GLN 5 N 5.93 0.07 -0.26 -0.62 -2.07 -1.26 -5.05 119.66 116.41 2kco s GLN 5 Ca 0.74 0.14 0.08 0.00 -1.82 0.00 0.00 55.36 54.49 2kco s GLN 5 Cb -0.18 -0.01 0.26 0.00 -1.09 0.00 0.00 33.01 31.98 2kco s GLN 5 CO 0.30 -0.04 1.18 0.41 -1.32 0.00 0.00 175.29 175.82 2kco n GLY 6 N 3.29 0.80 3.55 2.60 0.00 -1.26 -5.13 105.19 109.04 2kco n GLY 6 Ca -0.15 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 2kco n GLY 6 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kco s PRO 7 N 0.09 3.56 0.33 1.61 0.04 -1.26 -5.07 135.00 134.31 2kco s PRO 7 Ca 0.08 -0.22 -0.29 0.00 0.04 0.00 0.00 61.00 60.61 2kco s PRO 7 Cb 0.28 -3.83 -0.11 0.00 0.04 0.00 0.00 34.50 30.88 2kco s PRO 7 CO -0.08 -0.69 1.40 -0.51 0.04 0.00 0.00 177.00 177.17 2kco s ASP 8 N 1.78 6.59 -0.16 6.66 1.11 -1.26 -4.92 116.67 126.47 2kco s ASP 8 Ca 0.19 2.82 -0.29 0.00 0.18 0.00 0.00 52.55 55.45 2kco s ASP 8 Cb -0.15 -2.65 -0.06 0.00 1.07 0.00 0.00 42.92 41.12 2kco s ASP 8 CO 0.14 -0.69 2.16 -3.20 1.18 0.00 0.00 175.17 174.75 2kco n ASN 9 N 0.96 3.42 -4.67 0.27 5.15 -1.26 -4.87 115.26 114.25 2kco n ASN 9 Ca 0.02 0.39 -0.44 0.00 -0.60 0.00 0.00 54.58 53.95 2kco n ASN 9 Cb 0.40 -1.53 -0.03 0.00 -0.53 0.00 0.00 39.78 38.09 2kco n ASN 9 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2kco n ARG 10 N 8.40 2.68 -2.39 1.20 1.74 -1.26 -4.91 116.66 122.11 2kco n ARG 10 Ca 0.28 0.98 -0.42 0.00 -0.77 0.00 0.00 57.85 57.93 2kco n ARG 10 Cb 0.42 -2.90 -0.03 0.00 -1.02 0.00 0.00 32.46 28.93 2kco n ARG 10 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2kco s LYS 11 N 4.12 4.47 0.01 5.56 3.01 -1.26 -5.05 119.74 130.60 2kco s LYS 11 Ca 0.89 1.83 0.06 0.00 -1.01 0.00 0.00 55.97 57.74 2kco s LYS 11 Cb -0.51 -3.29 -0.02 0.00 -1.01 0.00 0.00 37.83 33.00 2kco s LYS 11 CO 0.44 -0.16 -0.18 -1.50 0.51 0.00 0.00 175.35 174.46 2kco s ILE 12 N 0.45 1.45 -0.00 2.17 2.07 -1.26 -5.12 121.20 120.96 2kco s ILE 12 Ca 0.56 -0.93 -0.30 0.00 -1.41 0.00 0.00 60.65 58.56 2kco s ILE 12 Cb -0.31 -1.24 -0.05 0.00 0.13 0.00 0.00 42.46 40.99 2kco s ILE 12 CO 0.33 0.28 1.37 -0.89 -1.91 0.00 0.00 174.94 174.13 2kco s THR 13 N -0.60 3.77 0.99 4.00 2.01 -1.26 -5.03 115.64 119.52 2kco s THR 13 Ca 0.06 1.15 -0.12 0.00 0.31 0.00 0.00 61.69 63.09 2kco s THR 13 Cb -0.08 -3.74 0.19 0.00 0.01 0.00 0.00 72.50 68.88 2kco s THR 13 CO 0.00 0.00 1.10 -0.83 -0.69 0.00 0.00 174.62 174.20 2kco s GLY 14 N 1.79 1.57 -1.20 4.40 0.00 -1.26 -4.91 107.32 107.71 2kco s GLY 14 Ca 0.63 -0.36 -0.22 0.00 0.00 0.00 0.00 44.72 44.77 2kco s GLY 14 CO 0.26 0.25 1.89 -0.32 0.00 0.00 0.00 173.10 175.17 2kco s GLY 15 N -3.48 0.50 -1.26 0.20 0.00 -1.26 -4.87 107.32 97.15 2kco s GLY 15 Ca 0.65 -2.30 -0.18 0.00 0.00 0.00 0.00 44.72 42.90 2kco s GLY 15 CO 0.57 3.36 1.98 1.04 0.00 0.00 0.00 173.10 180.05 2kco n LEU 16 N 13.00 5.25 -3.63 0.66 4.77 -1.26 -4.78 117.00 131.00 2kco n LEU 16 Ca 0.45 -3.73 -0.05 0.00 -0.03 0.00 0.00 56.01 52.66 2kco n LEU 16 Cb 0.46 -1.61 -0.07 0.00 -2.33 0.00 0.00 43.42 39.88 2kco n LEU 16 CO 0.69 0.15 0.49 -0.75 -1.33 0.00 0.00 177.39 176.64 2kco s LYS 17 N 4.28 0.55 0.00 3.23 2.47 -1.26 -5.18 119.74 123.84 2kco s LYS 17 Ca 0.54 0.99 0.00 0.00 -1.56 0.00 0.00 55.97 55.94 2kco s LYS 17 Cb 0.09 0.16 0.00 0.00 -1.46 0.00 0.00 37.83 36.62 2kco s LYS 17 CO 0.03 -0.12 0.00 0.41 0.16 0.00 0.00 175.35 175.83 2kco n GLY 18 N 4.15 1.64 3.53 5.54 0.00 -1.26 -5.17 105.19 113.62 2kco n GLY 18 Ca -0.19 -1.67 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 2kco n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kco s LYS 19 N 3.53 0.87 -0.78 1.61 -2.85 -1.26 -5.12 119.74 115.75 2kco s LYS 19 Ca 0.00 0.07 -0.25 0.00 -1.00 0.00 0.00 55.97 54.79 2kco s LYS 19 Cb 0.00 0.41 0.05 0.00 -2.06 0.00 0.00 37.83 36.23 2kco s LYS 19 CO 0.00 -0.30 1.22 -1.01 0.10 0.00 0.00 175.35 175.36 2kco s HIS 20 N -1.67 2.47 -0.35 1.78 3.76 -1.26 -5.00 115.29 115.02 2kco s HIS 20 Ca -0.04 -0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 54.18 2kco s HIS 20 Cb -0.00 -4.54 0.01 0.00 1.11 0.00 0.00 32.58 29.16 2kco s HIS 20 CO 0.02 -1.91 1.25 1.03 -0.85 0.00 0.00 174.74 174.28 2kco s ARG 21 N 5.00 3.86 0.56 1.40 0.52 -1.26 -5.02 118.95 124.02 2kco s ARG 21 Ca 0.34 1.05 -0.19 0.00 -0.52 0.00 0.00 55.73 56.41 2kco s ARG 21 Cb -0.09 -3.88 -0.05 0.00 0.52 0.00 0.00 34.95 31.46 2kco s ARG 21 CO 0.08 -1.19 1.17 0.34 0.02 0.00 0.00 175.30 175.72 2kco s ASP 22 N 2.69 5.49 0.50 0.23 2.15 -1.26 -5.04 116.67 121.43 2kco s ASP 22 Ca 0.54 2.29 0.03 0.00 0.43 0.00 0.00 52.55 55.84 2kco s ASP 22 Cb -0.14 -2.59 0.02 0.00 -0.30 0.00 0.00 42.92 39.92 2kco s ASP 22 CO 0.25 -1.39 0.70 -0.54 -0.17 0.00 0.00 175.17 174.02 2kco s LYS 23 N -3.28 2.66 -0.83 4.34 3.01 -1.26 -5.03 119.74 119.35 2kco s LYS 23 Ca 0.75 -0.93 -0.26 0.00 -1.01 0.00 0.00 55.97 54.52 2kco s LYS 23 Cb -0.27 -2.58 0.04 0.00 -1.01 0.00 0.00 37.83 34.00 2kco s LYS 23 CO 0.30 -0.55 1.33 1.03 0.51 0.00 0.00 175.35 177.97 2kco s ARG 24 N -4.62 3.31 0.81 1.68 0.52 -1.26 -5.02 118.95 114.38 2kco s ARG 24 Ca 0.56 -0.52 -0.12 0.00 -0.52 0.00 0.00 55.73 55.13 2kco s ARG 24 Cb -0.10 -4.55 0.08 0.00 0.52 0.00 0.00 34.95 30.90 2kco s ARG 24 CO 0.37 -2.17 1.17 0.15 0.02 0.00 0.00 175.30 174.84 2kco s LYS 25 N 5.50 1.99 0.06 3.54 3.01 -1.26 -5.11 119.74 127.46 2kco s LYS 25 Ca 0.38 0.14 0.03 0.00 -1.01 0.00 0.00 55.97 55.51 2kco s LYS 25 Cb -0.06 -1.95 -0.03 0.00 -1.01 0.00 0.00 37.83 34.78 2kco s LYS 25 CO 0.07 -1.59 -0.09 1.52 0.51 0.00 0.00 175.35 175.78 2kco s TYR 26 N -3.56 0.82 0.44 3.18 1.13 -1.26 -5.16 117.35 112.94 2kco s TYR 26 Ca 0.62 -0.58 -0.13 0.00 -1.41 0.00 0.00 57.07 55.56 2kco s TYR 26 Cb -0.11 -0.48 -0.07 0.00 -1.10 0.00 0.00 41.96 40.20 2kco s TYR 26 CO 0.49 -0.07 0.85 -1.83 -2.51 0.00 0.00 175.55 172.49 2kco s GLU 27 N -2.13 3.87 -0.27 -3.49 4.04 -1.26 -5.08 118.70 114.38 2kco s GLU 27 Ca -0.03 0.67 -0.08 0.00 0.04 0.00 0.00 54.97 55.57 2kco s GLU 27 Cb -0.07 -2.30 -0.02 0.00 0.02 0.00 0.00 34.13 31.77 2kco s GLU 27 CO -0.00 -0.11 0.08 0.42 -1.84 0.00 0.00 175.26 173.81 2kco s ILE 28 N -2.43 4.29 0.97 1.83 1.01 -1.26 -5.11 121.20 120.50 2kco s ILE 28 Ca 0.54 -0.29 -0.12 0.00 0.00 0.00 0.00 60.65 60.78 2kco s ILE 28 Cb -0.10 -3.07 0.17 0.00 0.01 0.00 0.00 42.46 39.47 2kco s ILE 28 CO 0.30 0.26 1.11 -0.83 0.00 0.00 0.00 174.94 175.78 2kco s GLY 29 N 1.60 1.57 0.10 6.18 0.00 -1.26 -5.10 107.32 110.41 2kco s GLY 29 Ca 0.06 -0.44 0.10 0.00 0.00 0.00 0.00 44.72 44.43 2kco s GLY 29 CO 0.04 0.15 -0.25 0.54 0.00 0.00 0.00 173.10 173.58 2kco s ASN 30 N -3.70 3.40 0.66 1.64 2.20 -1.26 -5.14 114.94 112.75 2kco s ASN 30 Ca 0.65 -0.67 -0.17 0.00 -0.94 0.00 0.00 52.86 51.73 2kco s ASN 30 Cb -0.17 -0.31 0.00 0.00 -2.00 0.00 0.00 41.25 38.77 2kco s ASN 30 CO 0.56 0.20 1.21 -2.16 -2.94 0.00 0.00 177.10 173.97 2kco s PRO 31 N -1.86 2.54 0.56 3.55 0.04 -1.26 -4.99 135.00 133.58 2kco s PRO 31 Ca 0.14 1.81 -0.21 0.00 0.04 0.00 0.00 61.00 62.78 2kco s PRO 31 Cb -0.10 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2kco s PRO 31 CO 0.06 -1.54 1.31 -1.25 0.04 0.00 0.00 177.00 175.61 2kco s PRO 32 N -3.64 3.09 -0.47 0.56 0.04 -1.26 -4.91 135.00 128.42 2kco s PRO 32 Ca 0.76 2.10 -0.27 0.00 0.04 0.00 0.00 61.00 63.63 2kco s PRO 32 Cb -0.30 -2.16 -0.02 0.00 0.04 0.00 0.00 34.50 32.05 2kco s PRO 32 CO 0.40 -1.19 1.81 -0.08 0.04 0.00 0.00 177.00 177.99 2kco s THR 33 N -1.38 3.44 -0.01 1.26 -1.32 -1.26 -4.90 115.64 111.47 2kco s THR 33 Ca 0.73 0.37 -0.05 0.00 -1.21 0.00 0.00 61.69 61.54 2kco s THR 33 Cb -0.37 -3.81 -0.03 0.00 -1.51 0.00 0.00 72.50 66.78 2kco s THR 33 CO 0.43 -0.66 0.43 -0.26 -2.21 0.00 0.00 174.62 172.35 2kco h PHE 34 N 13.87 -0.16 -3.67 9.09 0.04 -2.05 -3.47 116.94 130.58 2kco h PHE 34 Ca -0.29 -0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.11 2kco h PHE 34 Cb 1.16 0.05 -0.18 0.00 2.20 0.00 0.00 35.95 39.19 2kco h PHE 34 CO 1.00 -0.10 -0.74 0.95 -0.60 0.00 0.00 178.31 178.81 2kco s THR 35 N -2.22 1.11 0.19 -1.55 -4.23 -1.26 -5.14 115.64 102.53 2kco s THR 35 Ca -0.03 -1.66 -0.30 0.00 -1.18 0.00 0.00 61.69 58.53 2kco s THR 35 Cb 0.00 -1.42 -0.08 0.00 1.34 0.00 0.00 72.50 72.35 2kco s THR 35 CO 0.08 -0.48 1.06 0.42 -0.54 0.00 0.00 174.62 175.15 2kco s THR 36 N -2.26 3.93 0.61 3.99 -4.23 -1.26 -5.04 115.64 111.39 2kco s THR 36 Ca 0.07 1.72 -0.16 0.00 -1.18 0.00 0.00 61.69 62.13 2kco s THR 36 Cb -0.04 -4.09 -0.03 0.00 1.34 0.00 0.00 72.50 69.68 2kco s THR 36 CO 0.01 0.32 1.08 -1.48 -0.54 0.00 0.00 174.62 174.01 2kco s LEU 37 N -0.53 3.48 -0.02 4.79 0.05 -1.26 -4.98 118.68 120.20 2kco s LEU 37 Ca 0.48 1.90 0.18 0.00 0.05 0.00 0.00 54.13 56.73 2kco s LEU 37 Cb -0.28 -4.54 0.55 0.00 -2.05 0.00 0.00 46.19 39.86 2kco s LEU 37 CO 0.35 -1.32 1.46 -1.54 -0.55 0.00 0.00 176.35 174.75 2kco n SER 38 N -2.11 3.76 0.28 1.48 3.41 -1.26 -4.46 113.62 114.72 2kco n SER 38 Ca 0.09 -2.10 0.17 0.00 -0.26 0.00 0.00 58.87 56.77 2kco n SER 38 Cb 0.52 -0.42 0.69 0.00 -0.26 0.00 0.00 64.21 64.74 2kco n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kco h ALA 39 N 3.47 1.01 0.00 7.33 0.00 -2.00 -2.02 119.26 127.05 2kco h ALA 39 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2kco h ALA 39 Cb 0.99 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2kco h ALA 39 CO 0.04 0.03 -0.40 0.93 0.00 0.00 0.00 179.25 179.85 2kco h GLU 40 N 0.00 0.00 -0.00 0.00 5.08 -1.98 -0.77 114.58 116.91 2kco h GLU 40 Ca -0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 2kco h GLU 40 Cb 0.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2kco h GLU 40 CO 0.00 0.40 -0.77 0.22 -1.00 0.00 0.00 179.01 177.85 2kco h ASP 41 N 0.00 0.00 -0.14 1.42 3.58 -1.69 -0.91 116.42 118.68 2kco h ASP 41 Ca -0.00 -0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.29 2kco h ASP 41 Cb 0.85 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.89 2kco h ASP 41 CO 0.05 0.78 -0.44 0.40 -2.88 0.00 0.00 179.24 177.15 2kco h ILE 42 N 0.00 1.29 0.00 2.25 2.04 -1.36 -2.42 117.51 119.32 2kco h ILE 42 Ca -0.01 -1.63 -0.04 0.00 1.00 0.00 0.00 64.86 64.18 2kco h ILE 42 Cb 1.37 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 2kco h ILE 42 CO 0.10 0.52 -0.20 -0.09 0.00 0.00 0.00 178.15 178.49 2kco h ARG 43 N 0.56 0.00 0.02 2.37 9.65 -0.97 -2.11 114.38 123.90 2kco h ARG 43 Ca 0.04 0.00 -0.21 0.00 -1.10 0.00 0.00 59.98 58.71 2kco h ARG 43 Cb 0.99 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.56 2kco h ARG 43 CO 0.09 0.20 -0.94 0.82 2.80 0.00 0.00 179.97 182.94 2kco h ILE 44 N 0.00 1.54 -0.11 1.20 5.03 -0.88 -0.09 117.51 124.19 2kco h ILE 44 Ca -0.00 -2.82 -0.07 0.00 -0.12 0.00 0.00 64.86 61.85 2kco h ILE 44 Cb 0.54 2.59 -0.01 0.00 -3.03 0.00 0.00 36.82 36.91 2kco h ILE 44 CO 0.03 0.82 -0.27 0.11 -0.68 0.00 0.00 178.15 178.15 2kco h LYS 45 N 0.08 0.20 0.00 2.37 1.79 -0.94 -2.65 116.57 117.43 2kco h LYS 45 Ca -0.05 -0.07 -0.18 0.00 -2.18 0.00 0.00 60.65 58.17 2kco h LYS 45 Cb 1.61 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 32.21 2kco h LYS 45 CO 0.14 0.46 -0.87 0.22 -1.08 0.00 0.00 179.45 178.33 2kco h ASP 46 N 0.18 0.00 0.26 0.86 3.58 -1.20 -3.20 116.42 116.90 2kco h ASP 46 Ca 0.03 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.26 2kco h ASP 46 Cb 0.58 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.63 2kco h ASP 46 CO 0.04 0.87 -0.88 0.08 -2.88 0.00 0.00 179.24 176.47 2kco h ARG 47 N 0.00 0.45 0.17 0.28 0.11 -0.82 -3.38 114.38 111.20 2kco h ARG 47 Ca -0.01 -0.44 -0.28 0.00 0.10 0.00 0.00 59.98 59.35 2kco h ARG 47 Cb 1.62 0.12 0.02 0.00 1.11 0.00 0.00 29.97 32.83 2kco h ARG 47 CO 0.11 1.09 -1.32 0.00 0.10 0.00 0.00 179.97 179.96 2kco h THR 48 N 0.28 1.22 -4.04 0.08 1.03 -1.56 -3.47 112.91 106.44 2kco h THR 48 Ca -0.07 -2.54 -0.51 0.00 -0.01 0.00 0.00 66.41 63.29 2kco h THR 48 Cb 1.50 2.95 0.07 0.00 -1.07 0.00 0.00 68.15 71.60 2kco h THR 48 CO 0.15 0.76 0.47 -1.48 -0.01 0.00 0.00 175.52 175.42 2kco s LEU 49 N -7.62 3.88 -0.99 0.00 2.34 -1.21 -4.86 118.68 110.21 2kco s LEU 49 Ca -0.15 2.29 -0.24 0.00 0.06 0.00 0.00 54.13 56.09 2kco s LEU 49 Cb 0.03 -4.40 -0.09 0.00 -0.56 0.00 0.00 46.19 41.18 2kco s LEU 49 CO 0.85 -1.12 2.02 -0.83 -1.06 0.00 0.00 176.35 176.20 2kco s GLY 50 N -1.51 -0.07 -0.78 -3.48 0.00 -1.26 -4.81 107.32 95.40 2kco s GLY 50 Ca 0.69 -1.62 -0.03 0.00 0.00 0.00 0.00 44.72 43.76 2kco s GLY 50 CO 0.32 3.68 2.35 0.61 0.00 0.00 0.00 173.10 180.06 2kco n GLY 51 N 6.46 5.09 3.58 0.20 0.00 -1.26 -4.96 105.19 114.29 2kco n GLY 51 Ca 0.43 -2.20 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.34 6.39 -0.03 1.61 4.22 -1.26 -4.98 114.94 120.55 2kco s ASN 52 Ca 0.53 0.11 -0.30 0.00 -2.14 0.00 0.00 52.86 51.07 2kco s ASN 52 Cb 0.35 -2.55 -0.05 0.00 1.28 0.00 0.00 41.25 40.27 2kco s ASN 52 CO -0.26 -1.53 1.53 -0.36 -2.04 0.00 0.00 177.10 174.44 2kco s PHE 53 N 5.14 2.42 0.42 1.54 0.08 -1.26 -4.97 117.98 121.35 2kco s PHE 53 Ca 0.44 0.50 -0.26 0.00 0.12 0.00 0.00 56.93 57.73 2kco s PHE 53 Cb -0.08 -3.80 -0.09 0.00 -0.57 0.00 0.00 43.02 38.48 2kco s PHE 53 CO 0.25 -3.18 1.40 0.36 -0.10 0.00 0.00 175.22 173.94 2kco n LYS 54 N 6.28 2.25 -1.13 0.44 2.85 -1.26 -5.00 118.16 122.59 2kco n LYS 54 Ca 0.15 0.80 -0.29 0.00 -1.05 0.00 0.00 58.31 57.92 2kco n LYS 54 Cb 0.43 -2.56 0.17 0.00 -0.65 0.00 0.00 35.03 32.42 2kco n LYS 54 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2kco s VAL 55 N -1.17 2.22 -0.18 0.58 -7.23 -1.26 -4.97 120.40 108.37 2kco s VAL 55 Ca 0.59 0.07 -0.29 0.00 -1.81 0.00 0.00 61.98 60.54 2kco s VAL 55 Cb -0.47 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 33.92 2kco s VAL 55 CO 0.59 -0.09 1.32 -0.13 -0.31 0.00 0.00 175.10 176.48 2kco s ARG 56 N -4.92 4.14 0.58 4.82 1.81 -1.26 -5.02 118.95 119.11 2kco s ARG 56 Ca 0.65 1.63 -0.19 0.00 -1.72 0.00 0.00 55.73 56.10 2kco s ARG 56 Cb -0.19 -3.82 -0.04 0.00 -0.45 0.00 0.00 34.95 30.45 2kco s ARG 56 CO 0.58 -0.83 1.21 -0.48 -0.68 0.00 0.00 175.30 175.10 2kco s LEU 57 N 3.80 3.69 -0.19 2.53 0.05 -1.26 -4.97 118.68 122.34 2kco s LEU 57 Ca 0.57 2.40 -0.29 0.00 0.05 0.00 0.00 54.13 56.87 2kco s LEU 57 Cb -0.22 -4.57 0.00 0.00 -2.05 0.00 0.00 46.19 39.35 2kco s LEU 57 CO 0.18 -1.56 1.00 -0.54 -0.55 0.00 0.00 176.35 174.88 2kco s LYS 58 N -3.28 4.31 -0.22 1.48 1.02 -1.26 -5.03 119.74 116.75 2kco s LYS 58 Ca 0.77 1.32 -0.04 0.00 0.02 0.00 0.00 55.97 58.03 2kco s LYS 58 Cb -0.31 -3.60 -0.01 0.00 -0.52 0.00 0.00 37.83 33.39 2kco s LYS 58 CO 0.34 -0.50 -0.04 1.52 -0.92 0.00 0.00 175.35 175.75 2kco s TYR 59 N 2.71 2.97 0.35 3.18 1.13 -1.26 -5.11 117.35 121.32 2kco s TYR 59 Ca 0.44 -0.98 -0.26 0.00 -1.41 0.00 0.00 57.07 54.87 2kco s TYR 59 Cb -0.16 -2.11 -0.09 0.00 -1.10 0.00 0.00 41.96 38.50 2kco s TYR 59 CO 0.10 -0.56 1.08 0.95 -2.51 0.00 0.00 175.55 174.61 2kco s THR 60 N 1.47 3.59 -0.25 -3.49 -4.23 -1.26 -5.01 115.64 106.46 2kco s THR 60 Ca 0.05 1.36 -0.29 0.00 -1.18 0.00 0.00 61.69 61.64 2kco s THR 60 Cb -0.14 -3.78 -0.00 0.00 1.34 0.00 0.00 72.50 69.92 2kco s THR 60 CO -0.03 0.15 1.25 -0.89 -0.54 0.00 0.00 174.62 174.56 2kco s THR 61 N -1.45 4.26 0.24 3.99 2.01 -1.26 -4.92 115.64 118.51 2kco s THR 61 Ca 0.53 1.47 0.10 0.00 0.31 0.00 0.00 61.69 64.10 2kco s THR 61 Cb -0.26 -4.14 -0.05 0.00 0.01 0.00 0.00 72.50 68.06 2kco s THR 61 CO 0.33 -0.34 -0.18 -0.89 -0.69 0.00 0.00 174.62 172.86 2kco s THR 62 N 3.94 2.13 -0.02 -0.82 2.01 -0.95 -2.43 115.64 119.49 2kco s THR 62 Ca 0.54 -2.31 0.03 0.00 0.31 0.00 0.00 61.69 60.26 2kco s THR 62 Cb -0.18 -2.17 0.00 0.00 0.01 0.00 0.00 72.50 70.16 2kco s THR 62 CO 0.18 -0.48 -0.09 0.00 -0.69 0.00 0.00 174.62 173.54 2kco s ALA 63 N -2.69 0.82 -0.69 7.40 0.00 -0.25 -2.33 121.76 124.02 2kco s ALA 63 Ca 0.26 -0.34 -0.08 0.00 0.00 0.00 0.00 51.96 51.80 2kco s ALA 63 Cb -0.03 -0.28 0.18 0.00 0.00 0.00 0.00 23.12 22.99 2kco s ALA 63 CO 0.11 0.15 0.56 1.21 0.00 0.00 0.00 175.76 177.79 2kco s ASN 64 N 0.08 5.90 -0.29 0.00 2.47 -0.22 -1.58 114.94 121.30 2kco s ASN 64 Ca -0.01 -2.68 -0.29 0.00 0.42 0.00 0.00 52.86 50.29 2kco s ASN 64 Cb -0.07 -2.02 0.01 0.00 -1.45 0.00 0.00 41.25 37.73 2kco s ASN 64 CO 0.00 -0.49 1.07 0.68 -3.72 0.00 0.00 177.10 174.65 2kco s VAL 65 N 0.19 4.55 0.08 -5.21 -7.23 0.25 -1.21 120.40 111.82 2kco s VAL 65 Ca 0.16 1.82 -0.31 0.00 -1.81 0.00 0.00 61.98 61.84 2kco s VAL 65 Cb -0.17 -4.37 -0.08 0.00 0.56 0.00 0.00 36.38 32.32 2kco s VAL 65 CO -0.05 -0.38 1.52 -0.22 -0.31 0.00 0.00 175.10 175.66 2kco s LEU 66 N 3.52 4.36 -0.34 1.32 1.98 -0.77 0.82 118.68 129.57 2kco s LEU 66 Ca 0.45 2.39 -0.19 0.00 -2.89 0.00 0.00 54.13 53.89 2kco s LEU 66 Cb -0.13 -3.57 -0.00 0.00 0.66 0.00 0.00 46.19 43.14 2kco s LEU 66 CO 0.13 -0.79 0.59 -0.62 -1.89 0.00 0.00 176.35 173.77 2kco s ASP 67 N 1.77 6.40 0.59 3.68 -1.08 -0.61 -3.52 116.67 123.90 2kco s ASP 67 Ca 0.69 0.17 0.36 0.00 -0.52 0.00 0.00 52.55 53.25 2kco s ASP 67 Cb -0.38 -2.31 1.76 0.00 -1.46 0.00 0.00 42.92 40.54 2kco s ASP 67 CO 0.30 -0.52 2.14 1.55 0.52 0.00 0.00 175.17 179.17 2kco h PRO 68 N 8.38 0.00 0.00 4.34 0.13 -1.89 0.95 132.00 143.91 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 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2kco h PRO 68 CO 0.80 0.03 -0.36 0.00 -0.23 0.00 0.00 178.00 178.24 2kco h ALA 69 N 1.97 0.07 0.00 -0.56 0.00 -1.93 -3.37 119.26 115.44 2kco h ALA 69 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2kco h ALA 69 Cb 0.29 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2kco h ALA 69 CO 0.00 0.22 -0.48 0.25 0.00 0.00 0.00 179.25 179.24 2kco n THR 70 N -4.59 0.22 -2.51 0.00 -2.24 -1.22 -4.96 114.28 98.97 2kco n THR 70 Ca -0.14 -0.16 -0.17 0.00 -2.27 0.00 0.00 64.05 61.31 2kco n THR 70 Cb 0.43 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 2kco n THR 70 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2kco n ASN 71 N -1.86 -5.12 -3.99 3.42 5.03 0.32 -5.01 115.26 108.05 2kco n ASN 71 Ca 0.04 -0.09 -0.16 0.00 0.87 0.00 0.00 54.58 55.24 2kco n ASN 71 Cb 0.40 -4.13 -0.14 0.00 -1.02 0.00 0.00 39.78 34.88 2kco n ASN 71 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2kco s THR 72 N -2.92 0.51 0.51 3.41 -4.23 -1.20 -4.91 115.64 106.80 2kco s THR 72 Ca 0.08 -0.38 -0.07 0.00 -1.18 0.00 0.00 61.69 60.14 2kco s THR 72 Cb -0.04 -0.45 -0.04 0.00 1.34 0.00 0.00 72.50 73.31 2kco s THR 72 CO 0.10 0.07 0.84 0.00 -0.54 0.00 0.00 174.62 175.10 2kco s ALA 73 N -0.31 3.33 -0.17 3.99 0.00 -1.26 -1.57 121.76 125.76 2kco s ALA 73 Ca 0.01 -0.38 -0.07 0.00 0.00 0.00 0.00 51.96 51.52 2kco s ALA 73 Cb -0.03 -2.71 0.07 0.00 0.00 0.00 0.00 23.12 20.45 2kco s ALA 73 CO -0.00 -0.40 0.36 0.21 0.00 0.00 0.00 175.76 175.93 2kco s LYS 74 N -4.77 0.28 -0.44 0.00 2.20 0.24 -4.92 119.74 112.34 2kco s LYS 74 Ca 0.49 0.87 -0.12 0.00 -0.36 0.00 0.00 55.97 56.86 2kco s LYS 74 Cb -0.10 0.13 0.08 0.00 -1.51 0.00 0.00 37.83 36.42 2kco s LYS 74 CO 0.46 -0.23 0.31 0.21 -0.36 0.00 0.00 175.35 175.74 2kco s LYS 75 N 2.20 2.74 0.09 4.03 2.20 -1.26 -0.59 119.74 129.15 2kco s LYS 75 Ca -0.03 -1.43 0.08 0.00 -0.36 0.00 0.00 55.97 54.23 2kco s LYS 75 Cb -0.11 -3.92 -0.03 0.00 -1.51 0.00 0.00 37.83 32.26 2kco s LYS 75 CO -0.11 -0.99 -0.21 0.14 -0.36 0.00 0.00 175.35 173.82 2kco s VAL 76 N 1.50 1.72 0.71 4.02 -7.23 -0.62 -4.96 120.40 115.54 2kco s VAL 76 Ca 0.03 -1.46 -0.15 0.00 -1.81 0.00 0.00 61.98 58.60 2kco s VAL 76 Cb -0.24 -1.54 0.03 0.00 0.56 0.00 0.00 36.38 35.19 2kco s VAL 76 CO 0.04 0.02 1.17 -0.75 -0.31 0.00 0.00 175.10 175.26 2kco s LYS 77 N -1.71 2.36 0.01 4.82 2.20 -1.26 -1.09 119.74 125.06 2kco s LYS 77 Ca 0.07 1.61 -0.17 0.00 -0.36 0.00 0.00 55.97 57.11 2kco s LYS 77 Cb -0.10 -1.88 -0.06 0.00 -1.51 0.00 0.00 37.83 34.29 2kco s LYS 77 CO 0.04 -1.63 0.49 0.42 -0.36 0.00 0.00 175.35 174.31 2kco s ILE 78 N -2.15 4.94 0.00 5.43 1.01 -1.02 -1.78 121.20 127.62 2kco s ILE 78 Ca 0.71 1.03 0.00 0.00 0.00 0.00 0.00 60.65 62.39 2kco s ILE 78 Cb -0.25 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.40 2kco s ILE 78 CO 0.44 0.52 0.00 0.18 0.00 0.00 0.00 174.94 176.08 2kco n LEU 79 N 2.14 0.94 -3.54 2.97 4.32 -0.27 -4.95 117.00 118.62 2kco n LEU 79 Ca -0.11 0.08 -0.08 0.00 -0.02 0.00 0.00 56.01 55.88 2kco n LEU 79 Cb 0.52 -0.17 -0.02 0.00 -1.62 0.00 0.00 43.42 42.13 2kco n LEU 79 CO 0.40 -0.17 0.63 -1.83 -1.22 0.00 0.00 177.39 175.21 2kco s GLU 80 N -0.34 0.99 0.33 3.23 1.03 -1.21 -4.99 118.70 117.74 2kco s GLU 80 Ca 0.00 -0.41 -0.20 0.00 0.03 0.00 0.00 54.97 54.39 2kco s GLU 80 Cb 0.00 0.43 -0.10 0.00 -0.80 0.00 0.00 34.13 33.66 2kco s GLU 80 CO 0.00 -0.44 0.84 0.96 -1.33 0.00 0.00 175.26 175.29 2kco s ILE 81 N -3.29 4.47 -0.13 1.83 -0.00 -1.26 -0.35 121.20 122.47 2kco s ILE 81 Ca 0.06 1.37 -0.15 0.00 -0.00 0.00 0.00 60.65 61.93 2kco s ILE 81 Cb -0.01 -3.75 -0.05 0.00 -0.00 0.00 0.00 42.46 38.65 2kco s ILE 81 CO -0.08 -0.06 -0.28 0.18 -0.00 0.00 0.00 174.94 174.70 2kco n LEU 82 N 0.01 1.76 -4.64 0.37 7.99 -0.45 -4.88 117.00 117.15 2kco n LEU 82 Ca 0.03 0.29 -0.43 0.00 -0.01 0.00 0.00 56.01 55.89 2kco n LEU 82 Cb 0.52 -0.67 -0.02 0.00 -0.11 0.00 0.00 43.42 43.14 2kco n LEU 82 CO 0.41 -0.36 1.05 -0.70 -1.51 0.00 0.00 177.39 176.29 2kco s GLU 83 N -2.72 4.07 -0.17 3.23 2.56 -1.24 -4.97 118.70 119.46 2kco s GLU 83 Ca -0.24 1.31 -0.29 0.00 0.00 0.00 0.00 54.97 55.75 2kco s GLU 83 Cb 0.03 -3.79 -0.04 0.00 2.00 0.00 0.00 34.13 32.33 2kco s GLU 83 CO 0.35 -0.91 1.78 0.99 -0.56 0.00 0.00 175.26 176.91 2kco s THR 84 N 3.84 3.46 0.57 -1.70 2.01 -1.26 -3.98 115.64 118.59 2kco s THR 84 Ca 0.52 0.52 -0.20 0.00 0.31 0.00 0.00 61.69 62.84 2kco s THR 84 Cb -0.16 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 2kco s THR 84 CO 0.17 -0.19 1.23 -2.16 -0.69 0.00 0.00 174.62 172.98 2kco s PRO 85 N 4.90 3.12 0.22 4.92 0.04 -1.26 -4.96 135.00 141.98 2kco s PRO 85 Ca 0.79 1.89 -0.08 0.00 0.04 0.00 0.00 61.00 63.65 2kco s PRO 85 Cb -0.29 -2.05 0.30 0.00 0.04 0.00 0.00 34.50 32.49 2kco s PRO 85 CO 0.32 -1.11 1.80 0.00 0.04 0.00 0.00 177.00 178.05 2kco h ALA 86 N 1.16 0.97 -0.86 8.56 0.00 -1.94 -1.92 119.26 125.22 2kco h ALA 86 Ca -0.50 0.03 -0.77 0.00 0.00 0.00 0.00 54.91 53.67 2kco h ALA 86 Cb 1.29 -0.09 -0.18 0.00 0.00 0.00 0.00 17.79 18.81 2kco h ALA 86 CO 0.56 0.02 1.93 0.27 0.00 0.00 0.00 179.25 182.03 2kco n ASN 87 N -4.81 7.78 -0.13 0.00 6.94 -1.26 -4.73 115.26 119.05 2kco n ASN 87 Ca 0.10 -3.33 0.03 0.00 -0.02 0.00 0.00 54.58 51.36 2kco n ASN 87 Cb 0.23 -1.30 0.33 0.00 -2.36 0.00 0.00 39.78 36.68 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 4.48 0.78 -1.02 -3.83 -0.00 -1.67 -0.95 116.57 114.36 2kco h LYS 88 Ca 0.64 -0.05 0.27 0.00 -0.00 0.00 0.00 60.65 61.51 2kco h LYS 88 Cb 0.31 -0.18 -0.07 0.00 -0.00 0.00 0.00 32.23 32.30 2kco h LYS 88 CO 1.38 0.52 0.69 1.05 -0.00 0.00 0.00 179.45 183.09 2kco h GLU 89 N 0.81 0.24 0.01 0.07 4.11 -1.88 -1.99 114.58 115.94 2kco h GLU 89 Ca 0.24 -0.01 -0.32 0.00 0.07 0.00 0.00 59.36 59.33 2kco h GLU 89 Cb -0.04 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.10 2kco h GLU 89 CO -0.06 0.16 -1.97 1.28 0.07 0.00 0.00 179.01 178.49 2kco n LEU 90 N -4.45 0.70 0.13 3.06 4.77 -0.76 -4.21 117.00 116.24 2kco n LEU 90 Ca 0.23 0.25 0.08 0.00 -0.03 0.00 0.00 56.01 56.54 2kco n LEU 90 Cb 0.94 0.20 0.43 0.00 -2.33 0.00 0.00 43.42 42.66 2kco n LEU 90 CO 0.32 0.46 0.75 0.00 -1.33 0.00 0.00 177.39 177.59 2kco n ALA 91 N -2.66 0.96 0.15 -1.18 0.00 -0.43 -0.91 120.51 116.44 2kco n ALA 91 Ca -0.24 0.15 0.02 0.00 0.00 0.00 0.00 53.44 53.37 2kco n ALA 91 Cb 1.09 -1.16 0.37 0.00 0.00 0.00 0.00 19.45 19.75 2kco n ALA 91 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2kco h ARG 92 N 0.00 0.13 -0.01 0.00 0.11 -1.67 -1.87 114.38 111.07 2kco h ARG 92 Ca 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.04 2kco h ARG 92 Cb 0.10 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.16 2kco h ARG 92 CO 0.00 0.38 -0.03 0.54 0.10 0.00 0.00 179.97 180.96 2kco n ARG 93 N -4.19 1.36 -0.91 0.08 1.74 -0.09 -4.92 116.66 109.73 2kco n ARG 93 Ca -0.01 -0.66 0.00 0.00 -0.77 0.00 0.00 57.85 56.41 2kco n ARG 93 Cb 0.34 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 2kco n ARG 93 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kco n GLY 94 N 1.16 0.50 3.54 -0.13 0.00 -0.70 -4.99 105.19 104.57 2kco n GLY 94 Ca 0.19 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 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 4.30 -0.03 -0.61 -1.09 -0.89 -4.88 121.20 116.01 2kco s ILE 95 Ca 0.00 -1.64 -0.12 0.00 -2.23 0.00 0.00 60.65 56.66 2kco s ILE 95 Cb 0.00 -5.05 -0.05 0.00 -1.58 0.00 0.00 42.46 35.78 2kco s ILE 95 CO 0.00 -1.86 0.33 -0.63 -1.23 0.00 0.00 174.94 171.55 2kco s ILE 96 N 3.79 5.18 0.08 2.92 1.01 -1.26 -2.32 121.20 130.59 2kco s ILE 96 Ca 0.47 0.61 -0.08 0.00 0.00 0.00 0.00 60.65 61.65 2kco s ILE 96 Cb 0.00 -3.61 -0.06 0.00 0.01 0.00 0.00 42.46 38.80 2kco s ILE 96 CO -0.01 0.57 0.37 -0.51 0.00 0.00 0.00 174.94 175.36 2kco s ILE 97 N -1.09 5.14 0.19 2.92 2.07 -1.26 -4.28 121.20 124.89 2kco s ILE 97 Ca 0.22 0.34 -0.33 0.00 -1.41 0.00 0.00 60.65 59.47 2kco s ILE 97 Cb -0.15 -3.63 -0.13 0.00 0.13 0.00 0.00 42.46 38.69 2kco s ILE 97 CO 0.11 0.26 1.68 -1.14 -1.91 0.00 0.00 174.94 173.94 2kco n ARG 98 N 0.81 2.55 0.00 3.50 0.63 -1.26 -2.85 116.66 120.04 2kco n ARG 98 Ca -0.08 0.92 0.00 0.00 -0.92 0.00 0.00 57.85 57.78 2kco n ARG 98 Cb 0.52 -2.74 0.00 0.00 0.45 0.00 0.00 32.46 30.69 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 3.79 0.72 3.75 5.14 0.00 -0.59 -5.04 105.19 112.95 2kco n GLY 99 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2kco n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kco s ALA 100 N -2.00 3.55 0.48 4.61 0.00 -1.13 -4.90 121.76 122.37 2kco s ALA 100 Ca 0.00 -0.23 -0.20 0.00 0.00 0.00 0.00 51.96 51.53 2kco s ALA 100 Cb 0.00 -2.54 -0.09 0.00 0.00 0.00 0.00 23.12 20.49 2kco s ALA 100 CO 0.00 0.14 1.01 0.15 0.00 0.00 0.00 175.76 177.06 2kco s LYS 101 N 0.14 3.90 0.06 0.00 3.01 -1.26 -1.97 119.74 123.63 2kco s LYS 101 Ca 0.24 1.22 -0.12 0.00 -1.01 0.00 0.00 55.97 56.30 2kco s LYS 101 Cb -0.15 -2.12 0.01 0.00 -1.01 0.00 0.00 37.83 34.56 2kco s LYS 101 CO 0.10 -0.33 0.27 -1.50 0.51 0.00 0.00 175.35 174.41 2kco s ILE 102 N -2.17 0.10 -0.10 2.17 2.07 0.16 -1.35 121.20 122.09 2kco s ILE 102 Ca 0.64 -0.80 0.02 0.00 -1.41 0.00 0.00 60.65 59.10 2kco s ILE 102 Cb -0.13 -1.03 -0.01 0.00 0.13 0.00 0.00 42.46 41.41 2kco s ILE 102 CO 0.21 -0.44 -0.17 -0.13 -1.91 0.00 0.00 174.94 172.50 2kco s ARG 103 N -2.92 3.01 0.45 3.50 0.52 0.53 -1.01 118.95 123.03 2kco s ARG 103 Ca -0.02 -0.75 0.05 0.00 -0.52 0.00 0.00 55.73 54.48 2kco s ARG 103 Cb 0.00 -2.45 -0.05 0.00 0.52 0.00 0.00 34.95 32.97 2kco s ARG 103 CO -0.06 0.33 0.03 0.95 0.02 0.00 0.00 175.30 176.57 2kco s THR 104 N 0.03 1.69 0.48 0.02 -4.23 -0.37 -1.11 115.64 112.14 2kco s THR 104 Ca -0.06 -1.97 0.41 0.00 -1.18 0.00 0.00 61.69 58.89 2kco s THR 104 Cb -0.15 -2.65 0.43 0.00 1.34 0.00 0.00 72.50 71.47 2kco s THR 104 CO 0.05 0.00 2.25 -0.33 -0.54 0.00 0.00 174.62 176.04 2kco h GLU 105 N 1.56 0.00 0.00 3.99 4.39 -1.63 -3.21 114.58 119.68 2kco h GLU 105 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2kco h GLU 105 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 2kco h GLU 105 CO 0.77 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 178.62 2kco n ALA 106 N -2.07 -0.07 -3.00 3.43 0.00 -1.26 -5.05 120.51 112.49 2kco n ALA 106 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2kco n ALA 106 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 1.61 2.59 3.70 0.00 0.00 -1.21 -5.12 105.19 106.75 2kco n GLY 107 Ca 0.00 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 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 0.21 0.99 2.96 -1.26 -1.23 118.68 124.69 2kco s LEU 108 Ca 0.00 2.19 0.06 0.00 -0.22 0.00 0.00 54.13 56.15 2kco s LEU 108 Cb 0.00 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.07 2kco s LEU 108 CO 0.00 -0.65 -0.08 0.00 -1.32 0.00 0.00 176.35 174.30 2kco s ALA 109 N 1.61 1.87 -0.11 5.97 0.00 -0.18 -2.55 121.76 128.37 2kco s ALA 109 Ca 0.63 -1.69 0.03 0.00 0.00 0.00 0.00 51.96 50.94 2kco s ALA 109 Cb -0.33 0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.94 2kco s ALA 109 CO 0.29 -0.09 -0.23 0.54 0.00 0.00 0.00 175.76 176.27 2kco s VAL 110 N -3.19 2.06 -0.25 0.00 0.11 -0.35 -0.66 120.40 118.11 2kco s VAL 110 Ca 0.24 -1.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.00 2kco s VAL 110 Cb 0.03 -1.79 -0.03 0.00 -1.53 0.00 0.00 36.38 33.05 2kco s VAL 110 CO 0.07 0.56 1.88 0.68 -3.33 0.00 0.00 175.10 174.96 2kco s VAL 111 N 0.51 3.37 -1.44 2.04 -7.23 -0.83 -1.12 120.40 115.70 2kco s VAL 111 Ca -0.15 0.39 0.15 0.00 -1.81 0.00 0.00 61.98 60.57 2kco s VAL 111 Cb -0.17 -3.45 0.40 0.00 0.56 0.00 0.00 36.38 33.72 2kco s VAL 111 CO 0.05 -0.26 1.32 0.35 -0.31 0.00 0.00 175.10 176.25 2kco n THR 112 N 7.20 0.85 -4.07 5.32 -2.24 -0.70 -1.55 114.28 119.10 2kco n THR 112 Ca 0.24 -0.93 -0.12 0.00 -2.27 0.00 0.00 64.05 60.97 2kco n THR 112 Cb 0.46 0.62 -0.06 0.00 -2.10 0.00 0.00 70.33 69.25 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 -1.05 0.30 0.62 3.42 0.01 -0.98 -4.98 113.70 111.03 2kco s SER 113 Ca 0.31 -1.21 -0.16 0.00 1.31 0.00 0.00 55.95 56.21 2kco s SER 113 Cb 0.17 0.57 -0.02 0.00 0.21 0.00 0.00 66.02 66.95 2kco s SER 113 CO 0.22 -1.14 1.08 0.00 0.41 0.00 0.00 173.24 173.82 2kco s ARG 114 N -3.72 3.14 0.13 12.44 1.70 -1.26 -4.49 118.95 126.89 2kco s ARG 114 Ca 0.28 1.28 -0.31 0.00 -0.47 0.00 0.00 55.73 56.51 2kco s ARG 114 Cb 0.01 -2.00 -0.11 0.00 -0.57 0.00 0.00 34.95 32.28 2kco s ARG 114 CO 0.13 -0.97 1.84 -0.35 -1.08 0.00 0.00 175.30 174.87 2kco n PRO 115 N -2.16 2.82 -1.18 3.89 -0.04 -1.26 -4.18 135.00 132.88 2kco n PRO 115 Ca 0.09 1.02 -0.31 0.00 -0.04 0.00 0.00 63.50 64.27 2kco n PRO 115 Cb 0.52 -2.92 0.10 0.00 -0.04 0.00 0.00 33.50 31.17 2kco n PRO 115 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2kco s GLY 116 N 2.64 1.67 0.55 0.55 0.00 -0.22 -4.93 107.32 107.58 2kco s GLY 116 Ca 0.81 0.29 0.33 0.00 0.00 0.00 0.00 44.72 46.15 2kco s GLY 116 CO 0.37 0.65 2.02 1.46 0.00 0.00 0.00 173.10 177.59 2kco h GLN 117 N -1.25 0.00 0.00 2.90 4.20 -1.96 -1.24 115.11 117.77 2kco h GLN 117 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 2kco h GLN 117 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 2kco h GLN 117 CO 0.50 0.05 0.00 -0.25 -0.67 0.00 0.00 178.83 178.46 2kco n ASP 118 N -3.19 0.00 0.00 1.46 8.00 -1.26 -4.87 116.55 116.70 2kco n ASP 118 Ca -0.00 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.85 2kco n ASP 118 Cb 0.29 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 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 0.40 0.37 2.94 0.44 0.00 -0.47 -4.92 105.19 103.95 2kco n GLY 119 Ca 0.16 -0.89 -0.26 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.00 1.09 -0.27 1.61 0.11 -1.23 -2.24 120.40 117.47 2kco s VAL 120 Ca 0.00 -0.35 -0.08 0.00 -2.93 0.00 0.00 61.98 58.61 2kco s VAL 120 Cb 0.00 -1.07 -0.02 0.00 -1.53 0.00 0.00 36.38 33.76 2kco s VAL 120 CO 0.00 0.37 0.11 -0.63 -3.33 0.00 0.00 175.10 171.62 2kco s ILE 121 N 1.45 4.49 0.07 7.04 1.09 -0.98 -1.06 121.20 133.31 2kco s ILE 121 Ca 0.01 -0.23 -0.31 0.00 -1.10 0.00 0.00 60.65 59.02 2kco s ILE 121 Cb -0.13 -3.18 -0.08 0.00 -1.06 0.00 0.00 42.46 38.01 2kco s ILE 121 CO -0.06 0.23 1.56 0.20 -0.10 0.00 0.00 174.94 176.78 2kco s ASN 122 N 1.63 6.68 0.27 3.58 0.01 -1.26 -1.06 114.94 124.78 2kco s ASN 122 Ca 0.06 2.41 0.02 0.00 -0.71 0.00 0.00 52.86 54.64 2kco s ASN 122 Cb -0.16 -2.57 -0.05 0.00 0.41 0.00 0.00 41.25 38.88 2kco s ASN 122 CO 0.05 -0.82 0.08 0.00 -1.51 0.00 0.00 177.10 174.90 2kco s ALA 123 N 2.20 1.85 -0.13 0.60 0.00 -0.35 -1.72 121.76 124.23 2kco s ALA 123 Ca 0.70 -1.89 0.02 0.00 0.00 0.00 0.00 51.96 50.79 2kco s ALA 123 Cb -0.38 0.90 0.01 0.00 0.00 0.00 0.00 23.12 23.65 2kco s ALA 123 CO 0.31 -0.41 -0.20 0.08 0.00 0.00 0.00 175.76 175.54 2kco s VAL 124 N -3.63 1.86 -0.10 0.00 1.01 -0.28 -1.84 120.40 117.42 2kco s VAL 124 Ca 0.36 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 61.19 2kco s VAL 124 Cb 0.08 -1.66 -0.06 0.00 0.00 0.00 0.00 36.38 34.74 2kco s VAL 124 CO 0.13 0.51 1.83 -0.76 0.00 0.00 0.00 175.10 176.81 2kco s LEU 125 N 0.86 4.09 0.05 3.92 1.43 -1.23 -1.21 118.68 126.59 2kco s LEU 125 Ca -0.07 2.13 -0.25 0.00 -1.03 0.00 0.00 54.13 54.91 2kco s LEU 125 Cb -0.15 -3.53 -0.17 0.00 0.03 0.00 0.00 46.19 42.37 2kco s LEU 125 CO -0.01 -1.23 1.56 -0.07 0.23 0.00 0.00 176.35 176.83 2kco h LEU 126 N 11.56 -0.09 1.40 1.79 4.07 -1.85 -3.41 115.31 128.78 2kco h LEU 126 Ca -0.41 -0.14 -0.13 0.00 0.08 0.00 0.00 57.88 57.28 2kco h LEU 126 Cb 1.20 0.02 -0.04 0.00 1.08 0.00 0.00 40.66 42.92 2kco h LEU 126 CO 0.96 0.09 -0.13 2.29 -1.08 0.00 0.00 178.44 180.57 2kco n LYS 127 N -5.06 -1.58 -3.80 1.13 2.85 -1.26 -4.89 118.16 105.55 2kco n LYS 127 Ca -0.08 0.36 -0.30 0.00 -1.05 0.00 0.00 58.31 57.24 2kco n LYS 127 Cb 0.13 -4.62 -0.14 0.00 -0.65 0.00 0.00 35.03 29.76 2kco n LYS 127 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2kco s ASN 128 N -1.69 4.05 -0.22 -5.58 0.01 -1.26 -5.09 114.94 105.15 2kco s ASN 128 Ca 0.00 -2.29 -0.32 0.00 -0.71 0.00 0.00 52.86 49.54 2kco s ASN 128 Cb 0.00 -1.16 -0.09 0.00 0.41 0.00 0.00 41.25 40.41 2kco s ASN 128 CO 0.00 -0.33 2.13 1.21 -1.51 0.00 0.00 177.10 178.61 2kco n GLU 129 N 4.01 1.76 -3.51 -0.60 0.00 -1.26 -4.94 120.64 116.11 2kco n GLU 129 Ca 0.04 0.53 -0.42 0.00 0.00 0.00 0.00 57.16 57.31 2kco n GLU 129 Cb 0.38 -2.85 -0.07 0.00 0.00 0.00 0.00 31.44 28.89 2kco n GLU 129 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2kco s SER 130 N 6.96 5.88 0.81 4.31 0.15 -1.26 -5.09 113.70 125.45 2kco s SER 130 Ca 1.02 -2.14 -0.11 0.00 0.70 0.00 0.00 55.95 55.42 2kco s SER 130 Cb -0.58 -2.05 0.08 0.00 -1.71 0.00 0.00 66.02 61.75 2kco s SER 130 CO 0.43 -0.66 1.09 0.00 1.20 0.00 0.00 173.24 175.31 2kco s GLN 131 N 1.02 1.97 0.08 5.44 -2.07 -1.26 -4.98 119.66 119.86 2kco s GLN 131 Ca 0.09 1.06 0.25 0.00 -1.82 0.00 0.00 55.36 54.93 2kco s GLN 131 Cb -0.23 -1.87 0.42 0.00 -1.09 0.00 0.00 33.01 30.23 2kco s GLN 131 CO -0.02 -1.81 1.36 0.54 -1.32 0.00 0.00 175.29 174.04 2kco n ARG 132 N -3.62 0.20 0.00 9.60 1.74 -1.26 -5.32 116.66 117.99 2kco n ARG 132 Ca 0.08 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 2kco n ARG 132 Cb 0.54 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 2kco n ARG 132 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56