#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kha s TYR 7 N 0.00 2.26 0.06 2.61 5.04 -1.26 -5.08 117.35 120.98 2kha s TYR 7 Ca 0.00 1.12 -0.01 0.00 -2.44 0.00 0.00 57.07 55.74 2kha s TYR 7 Cb 0.00 -3.21 -0.04 0.00 0.35 0.00 0.00 41.96 39.06 2kha s TYR 7 CO 0.00 -2.57 -0.01 0.08 -1.34 0.00 0.00 175.55 171.71 2kha s VAL 8 N -2.97 0.20 0.28 3.14 1.01 -1.26 -4.96 120.40 115.83 2kha s VAL 8 Ca 0.64 -1.79 -0.29 0.00 0.00 0.00 0.00 61.98 60.54 2kha s VAL 8 Cb -0.18 -1.57 -0.09 0.00 0.00 0.00 0.00 36.38 34.54 2kha s VAL 8 CO 0.57 -0.92 0.97 0.54 0.00 0.00 0.00 175.10 176.26 2kha s VAL 9 N -3.93 3.98 0.00 2.92 0.11 -1.26 -5.03 120.40 117.19 2kha s VAL 9 Ca 0.09 1.89 0.00 0.00 -2.93 0.00 0.00 61.98 61.02 2kha s VAL 9 Cb 0.08 -4.16 0.00 0.00 -1.53 0.00 0.00 36.38 30.77 2kha s VAL 9 CO -0.09 0.36 0.00 -2.65 -3.33 0.00 0.00 175.10 169.40 2kha n PRO 10 N 1.13 -0.13 -4.40 1.54 -0.02 -1.26 -4.49 135.00 127.37 2kha n PRO 10 Ca -0.01 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.13 2kha n PRO 10 Cb 0.47 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.86 2kha n PRO 10 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kha s SER 11 N -1.66 5.17 -0.35 2.55 0.15 -1.26 -4.72 113.70 113.58 2kha s SER 11 Ca 0.00 0.12 -0.26 0.00 0.70 0.00 0.00 55.95 56.52 2kha s SER 11 Cb 0.00 -1.45 0.01 0.00 -1.71 0.00 0.00 66.02 62.87 2kha s SER 11 CO 0.00 0.37 0.91 0.00 1.20 0.00 0.00 173.24 175.72 2kha s ALA 12 N -0.84 3.44 -0.56 5.45 0.00 -1.25 -4.37 121.76 123.62 2kha s ALA 12 Ca 0.13 -0.41 -0.27 0.00 0.00 0.00 0.00 51.96 51.41 2kha s ALA 12 Cb -0.11 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.53 2kha s ALA 12 CO 0.02 -1.52 1.12 0.21 0.00 0.00 0.00 175.76 175.60 2kha s LYS 13 N 3.38 3.49 0.13 0.00 2.20 0.30 -4.72 119.74 124.52 2kha s LYS 13 Ca 0.38 0.15 -0.01 0.00 -0.36 0.00 0.00 55.97 56.12 2kha s LYS 13 Cb -0.12 -4.01 -0.04 0.00 -1.51 0.00 0.00 37.83 32.14 2kha s LYS 13 CO 0.17 -1.59 0.31 -0.51 -0.36 0.00 0.00 175.35 173.37 2kha s LEU 14 N 4.63 4.30 -0.03 5.43 1.02 -1.25 -1.75 118.68 131.02 2kha s LEU 14 Ca 0.40 0.37 -0.02 0.00 0.02 0.00 0.00 54.13 54.90 2kha s LEU 14 Cb -0.09 -3.10 0.02 0.00 0.02 0.00 0.00 46.19 43.04 2kha s LEU 14 CO 0.24 0.06 0.08 -1.61 0.02 0.00 0.00 176.35 175.14 2kha s GLU 15 N -2.89 0.06 -0.71 1.70 2.02 0.07 -4.95 118.70 114.01 2kha s GLU 15 Ca 0.37 0.16 -0.23 0.00 0.02 0.00 0.00 54.97 55.29 2kha s GLU 15 Cb -0.12 -0.04 0.07 0.00 0.10 0.00 0.00 34.13 34.13 2kha s GLU 15 CO 0.28 -0.06 1.05 0.00 0.02 0.00 0.00 175.26 176.55 2kha s ALA 16 N 0.39 3.05 0.45 5.21 0.00 -1.26 -2.06 121.76 127.54 2kha s ALA 16 Ca -0.03 -1.84 -0.22 0.00 0.00 0.00 0.00 51.96 49.87 2kha s ALA 16 Cb -0.04 -3.97 -0.09 0.00 0.00 0.00 0.00 23.12 19.02 2kha s ALA 16 CO -0.01 -2.92 1.06 0.42 0.00 0.00 0.00 175.76 174.30 2kha s ILE 17 N 4.31 3.69 0.03 0.00 -1.09 -1.17 0.14 121.20 127.10 2kha s ILE 17 Ca 0.26 1.17 0.02 0.00 -2.23 0.00 0.00 60.65 59.87 2kha s ILE 17 Cb -0.14 -3.55 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 2kha s ILE 17 CO 0.09 -0.11 0.04 -0.47 -1.23 0.00 0.00 174.94 173.26 2kha s TYR 18 N -1.80 3.15 -2.34 3.97 5.04 -1.21 -1.74 117.35 122.43 2kha s TYR 18 Ca 0.63 0.10 0.22 0.00 -2.44 0.00 0.00 57.07 55.58 2kha s TYR 18 Cb -0.20 -1.66 0.77 0.00 0.35 0.00 0.00 41.96 41.22 2kha s TYR 18 CO 0.25 0.50 1.56 -0.35 -1.34 0.00 0.00 175.55 176.17 2kha n PRO 19 N 1.01 1.78 -2.69 4.97 -0.05 -1.26 -4.72 135.00 134.04 2kha n PRO 19 Ca -0.12 -1.17 -0.04 0.00 -0.05 0.00 0.00 63.50 62.13 2kha n PRO 19 Cb 0.52 -1.42 0.03 0.00 -0.05 0.00 0.00 33.50 32.59 2kha n PRO 19 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 175.50 178.34 2kha n ARG 20 N 0.39 0.20 -2.19 0.54 1.85 -1.17 -4.83 116.66 111.45 2kha n ARG 20 Ca 0.17 -1.04 -0.03 0.00 -1.00 0.00 0.00 57.85 55.94 2kha n ARG 20 Cb 0.36 -0.23 -0.01 0.00 -1.05 0.00 0.00 32.46 31.53 2kha n ARG 20 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2kha n GLY 21 N 2.58 3.12 3.41 2.89 0.00 -0.71 -3.28 105.19 113.21 2kha n GLY 21 Ca 0.12 -1.50 -0.14 0.00 0.00 0.00 0.00 46.02 44.50 2kha n GLY 21 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kha s LEU 22 N 0.00 0.01 -0.31 0.99 2.96 0.29 -3.05 118.68 119.58 2kha s LEU 22 Ca 0.07 0.89 -0.02 0.00 -0.22 0.00 0.00 54.13 54.85 2kha s LEU 22 Cb -0.00 1.83 0.10 0.00 0.50 0.00 0.00 46.19 48.63 2kha s LEU 22 CO 0.05 -0.27 0.12 -0.13 -1.32 0.00 0.00 176.35 174.80 2kha s ARG 23 N -0.12 0.49 -0.00 1.98 1.81 -0.88 -1.66 118.95 120.57 2kha s ARG 23 Ca -0.03 -0.87 0.07 0.00 -1.72 0.00 0.00 55.73 53.17 2kha s ARG 23 Cb -0.03 -1.61 -0.03 0.00 -0.45 0.00 0.00 34.95 32.83 2kha s ARG 23 CO 0.02 -1.02 -0.20 0.08 -0.68 0.00 0.00 175.30 173.51 2kha s VAL 24 N 1.77 2.61 -0.07 3.52 1.01 0.14 -0.75 120.40 128.63 2kha s VAL 24 Ca 0.10 -1.05 -0.08 0.00 0.00 0.00 0.00 61.98 60.95 2kha s VAL 24 Cb -0.17 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.21 2kha s VAL 24 CO -0.29 0.48 0.22 -0.44 0.00 0.00 0.00 175.10 175.07 2kha s SER 25 N -0.99 -0.20 -0.07 3.32 0.01 -0.72 0.11 113.70 115.16 2kha s SER 25 Ca 0.12 0.35 -0.01 0.00 1.31 0.00 0.00 55.95 57.71 2kha s SER 25 Cb -0.10 0.41 0.03 0.00 0.21 0.00 0.00 66.02 66.57 2kha s SER 25 CO 0.02 -0.13 0.01 0.27 0.41 0.00 0.00 173.24 173.81 2kha s ILE 26 N -0.14 0.34 -0.21 1.44 -5.25 -1.01 0.11 121.20 116.47 2kha s ILE 26 Ca -0.03 0.15 -0.40 0.00 -0.99 0.00 0.00 60.65 59.38 2kha s ILE 26 Cb -0.02 -0.50 -0.17 0.00 2.95 0.00 0.00 42.46 44.72 2kha s ILE 26 CO 0.01 0.25 1.58 -2.65 -1.79 0.00 0.00 174.94 172.34 2kha n PRO 27 N 5.14 0.90 -1.92 0.37 -0.02 -1.26 -2.32 135.00 135.89 2kha n PRO 27 Ca -0.07 0.33 -0.31 0.00 -2.02 0.00 0.00 63.50 61.43 2kha n PRO 27 Cb 0.50 -1.96 0.01 0.00 -0.02 0.00 0.00 33.50 32.03 2kha n PRO 27 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2kha s ASP 28 N 2.51 6.15 -0.32 2.55 2.15 0.16 -4.61 116.67 125.26 2kha s ASP 28 Ca 0.96 1.49 0.17 0.00 0.43 0.00 0.00 52.55 55.60 2kha s ASP 28 Cb -1.12 -2.48 0.46 0.00 -0.30 0.00 0.00 42.92 39.47 2kha s ASP 28 CO 0.63 -0.92 1.12 -0.67 -0.17 0.00 0.00 175.17 175.16 2kha n ASP 29 N -2.59 0.62 -2.08 -0.34 -0.08 -1.26 -4.79 116.55 106.03 2kha n ASP 29 Ca 0.06 -2.44 -0.13 0.00 -1.51 0.00 0.00 54.79 50.77 2kha n ASP 29 Cb 0.54 -0.13 0.03 0.00 2.34 0.00 0.00 41.12 43.90 2kha n ASP 29 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kha n GLY 30 N -0.44 0.03 0.85 0.27 0.00 -1.26 -5.03 105.19 99.62 2kha n GLY 30 Ca 0.04 -0.19 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 2kha n GLY 30 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kha n PHE 31 N -3.97 -3.83 0.00 1.61 3.72 -1.26 -4.80 117.46 108.93 2kha n PHE 31 Ca -0.03 -0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.08 2kha n PHE 31 Cb 0.55 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 2kha n PHE 31 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2kha n SER 32 N -3.14 2.10 -3.75 4.37 2.88 1.24 -4.88 113.62 112.45 2kha n SER 32 Ca 0.04 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.45 2kha n SER 32 Cb 0.13 0.28 -0.13 0.00 -0.75 0.00 0.00 64.21 63.75 2kha n SER 32 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2kha s LEU 33 N -1.91 0.62 -0.31 2.46 2.96 -0.94 -4.56 118.68 117.00 2kha s LEU 33 Ca 0.00 0.50 0.01 0.00 -0.22 0.00 0.00 54.13 54.43 2kha s LEU 33 Cb 0.00 0.75 0.07 0.00 0.50 0.00 0.00 46.19 47.51 2kha s LEU 33 CO 0.00 -0.14 -0.01 0.12 -1.32 0.00 0.00 176.35 175.00 2kha s PHE 34 N 0.92 3.44 -0.28 5.38 5.36 -0.08 0.88 117.98 133.60 2kha s PHE 34 Ca -0.07 -2.41 -0.09 0.00 -0.96 0.00 0.00 56.93 53.40 2kha s PHE 34 Cb -0.08 -2.39 -0.03 0.00 -0.34 0.00 0.00 43.02 40.19 2kha s PHE 34 CO -0.06 -0.89 0.13 0.00 -1.46 0.00 0.00 175.22 172.94 2kha s ALA 35 N 1.09 3.30 -0.20 11.12 0.00 0.30 0.56 121.76 137.93 2kha s ALA 35 Ca -0.01 -1.21 -0.06 0.00 0.00 0.00 0.00 51.96 50.68 2kha s ALA 35 Cb -0.20 -2.30 -0.03 0.00 0.00 0.00 0.00 23.12 20.59 2kha s ALA 35 CO -0.05 -0.66 0.04 0.12 0.00 0.00 0.00 175.76 175.21 2kha s PHE 36 N 1.65 3.12 -0.13 0.00 2.19 -0.90 0.17 117.98 124.08 2kha s PHE 36 Ca 0.06 -0.24 0.01 0.00 0.33 0.00 0.00 56.93 57.09 2kha s PHE 36 Cb -0.16 -2.11 0.02 0.00 -1.31 0.00 0.00 43.02 39.46 2kha s PHE 36 CO 0.07 -0.11 -0.15 -1.01 1.83 0.00 0.00 175.22 175.85 2kha s HIS 37 N 0.88 2.06 -0.20 10.12 3.76 -0.77 -2.15 115.29 128.98 2kha s HIS 37 Ca 0.02 -1.06 -0.17 0.00 -0.15 0.00 0.00 55.06 53.70 2kha s HIS 37 Cb -0.14 -1.50 0.06 0.00 1.11 0.00 0.00 32.58 32.10 2kha s HIS 37 CO 0.02 -0.57 0.53 0.20 -0.85 0.00 0.00 174.74 174.07 2kha s GLY 38 N 1.24 -0.41 -0.02 -2.22 0.00 -0.58 -0.59 107.32 104.75 2kha s GLY 38 Ca -0.01 1.58 0.03 0.00 0.00 0.00 0.00 44.72 46.32 2kha s GLY 38 CO -0.06 1.44 -0.08 1.25 0.00 0.00 0.00 173.10 175.65 2kha s LYS 39 N 0.54 2.57 -0.22 2.90 2.20 0.48 0.16 119.74 128.38 2kha s LYS 39 Ca -0.02 -0.68 -0.13 0.00 -0.36 0.00 0.00 55.97 54.78 2kha s LYS 39 Cb -0.04 -2.49 -0.04 0.00 -1.51 0.00 0.00 37.83 33.74 2kha s LYS 39 CO -0.03 0.62 0.27 -1.17 -0.36 0.00 0.00 175.35 174.68 2kha s LEU 40 N -1.15 4.15 -0.96 5.43 2.96 -1.26 -2.19 118.68 125.65 2kha s LEU 40 Ca 0.15 0.32 -0.00 0.00 -0.22 0.00 0.00 54.13 54.37 2kha s LEU 40 Cb -0.11 -2.30 -0.01 0.00 0.50 0.00 0.00 46.19 44.27 2kha s LEU 40 CO 0.05 0.01 0.81 -3.20 -1.32 0.00 0.00 176.35 172.69 2kha n ASN 41 N 4.29 -2.38 0.00 3.68 5.15 -0.80 -4.99 115.26 120.20 2kha n ASN 41 Ca -0.12 -0.51 0.00 0.00 -0.60 0.00 0.00 54.58 53.35 2kha n ASN 41 Cb 0.52 -4.26 0.00 0.00 -0.53 0.00 0.00 39.78 35.50 2kha n ASN 41 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2kha n GLU 42 N -3.48 0.00 0.00 1.20 2.13 -1.26 -5.03 120.64 114.20 2kha n GLU 42 Ca -0.22 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.60 2kha n GLU 42 Cb 0.63 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.34 2kha n GLU 42 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2kha n GLU 43 N 0.00 -0.85 -3.50 5.31 1.02 -1.26 -4.64 120.64 116.72 2kha n GLU 43 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 2kha n GLU 43 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 2kha n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kha s MET 44 N -2.00 0.89 -0.33 3.49 0.23 -1.26 -4.96 119.30 115.35 2kha s MET 44 Ca 0.00 -0.21 0.17 0.00 -1.03 0.00 0.00 55.69 54.62 2kha s MET 44 Cb 0.00 0.41 0.45 0.00 -1.53 0.00 0.00 34.83 34.16 2kha s MET 44 CO 0.00 -0.36 1.02 -3.47 -2.03 0.00 0.00 175.02 170.18 2kha n ASP 45 N -0.01 0.90 0.00 -1.18 2.03 -1.26 -4.89 116.55 112.13 2kha n ASP 45 Ca -0.11 -2.65 0.00 0.00 0.52 0.00 0.00 54.79 52.55 2kha n ASP 45 Cb 0.61 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 2kha n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kha n GLY 46 N -0.17 -0.71 2.55 0.27 0.00 -1.26 -5.03 105.19 100.85 2kha n GLY 46 Ca 0.07 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 2kha n GLY 46 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kha n LEU 47 N 0.00 3.80 -4.84 0.99 4.77 -1.26 -4.98 117.00 115.48 2kha n LEU 47 Ca 0.00 -5.48 -0.34 0.00 -0.03 0.00 0.00 56.01 50.16 2kha n LEU 47 Cb 0.00 -0.57 -0.06 0.00 -2.33 0.00 0.00 43.42 40.46 2kha n LEU 47 CO 0.00 2.15 0.34 -1.61 -1.33 0.00 0.00 177.39 176.94 2kha s GLU 48 N -2.71 4.03 0.59 3.23 2.02 -1.26 -4.95 118.70 119.64 2kha s GLU 48 Ca 0.42 0.61 0.29 0.00 0.02 0.00 0.00 54.97 56.31 2kha s GLU 48 Cb 0.19 -2.71 1.51 0.00 0.10 0.00 0.00 34.13 33.22 2kha s GLU 48 CO -0.05 0.32 1.94 0.00 0.02 0.00 0.00 175.26 177.50 2kha h ALA 49 N 2.92 2.12 -0.42 5.21 0.00 -1.99 -3.45 119.26 123.65 2kha h ALA 49 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2kha h ALA 49 Cb 1.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2kha h ALA 49 CO 0.66 -0.63 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2kha n GLY 50 N -1.49 2.64 1.32 0.00 0.00 -1.26 -4.52 105.19 101.87 2kha n GLY 50 Ca 0.07 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2kha n GLY 50 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kha n HIS 51 N 9.84 -0.03 -1.58 1.61 8.25 0.43 -4.76 115.22 128.98 2kha n HIS 51 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 2kha n HIS 51 Cb 0.00 0.33 -0.07 0.00 1.12 0.00 0.00 29.99 31.37 2kha n HIS 51 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kha s TRP 52 N -0.66 1.14 -0.60 4.41 0.51 0.35 -4.73 118.94 119.37 2kha s TRP 52 Ca 0.00 1.95 0.03 0.00 -2.12 0.00 0.00 56.10 55.96 2kha s TRP 52 Cb 0.00 -3.45 0.15 0.00 -0.81 0.00 0.00 33.47 29.36 2kha s TRP 52 CO 0.00 -1.61 0.38 0.00 -0.51 0.00 0.00 176.95 175.20 2kha s ALA 53 N 14.62 3.53 -0.12 0.98 0.00 -1.22 -1.52 121.76 138.04 2kha s ALA 53 Ca 0.92 -3.44 -0.01 0.00 0.00 0.00 0.00 51.96 49.43 2kha s ALA 53 Cb -0.13 -2.30 0.03 0.00 0.00 0.00 0.00 23.12 20.73 2kha s ALA 53 CO 0.09 -2.06 -0.04 0.50 0.00 0.00 0.00 175.76 174.25 2kha s ARG 54 N -0.58 1.14 -0.50 0.00 6.06 -0.91 -4.99 118.95 119.17 2kha s ARG 54 Ca 0.19 -0.21 -0.20 0.00 -2.50 0.00 0.00 55.73 53.01 2kha s ARG 54 Cb -0.19 -1.53 0.05 0.00 0.06 0.00 0.00 34.95 33.34 2kha s ARG 54 CO -0.05 -0.35 0.66 0.16 -2.50 0.00 0.00 175.30 173.22 2kha s ASP 55 N 1.79 6.25 0.29 -2.12 1.47 -1.26 -2.11 116.67 120.97 2kha s ASP 55 Ca 0.04 -0.74 -0.15 0.00 1.18 0.00 0.00 52.55 52.87 2kha s ASP 55 Cb -0.13 -2.31 -0.09 0.00 -0.34 0.00 0.00 42.92 40.05 2kha s ASP 55 CO -0.07 -0.90 0.71 -0.63 0.68 0.00 0.00 175.17 174.96 2kha s ILE 56 N 2.80 4.69 -0.24 2.11 -1.09 0.19 -4.91 121.20 124.74 2kha s ILE 56 Ca 0.18 0.96 0.23 0.00 -2.23 0.00 0.00 60.65 59.79 2kha s ILE 56 Cb -0.17 -3.66 0.50 0.00 -1.58 0.00 0.00 42.46 37.55 2kha s ILE 56 CO 0.14 -0.08 1.12 1.07 -1.23 0.00 0.00 174.94 175.95 2kha n THR 57 N -0.09 1.18 -3.15 2.92 5.66 -1.26 -0.90 114.28 118.64 2kha n THR 57 Ca 0.02 -2.78 0.06 0.00 -3.05 0.00 0.00 64.05 58.29 2kha n THR 57 Cb 0.53 1.29 0.00 0.00 -1.55 0.00 0.00 70.33 70.59 2kha n THR 57 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2kha s LYS 58 N -3.54 0.07 0.62 1.09 2.47 -1.26 -4.97 119.74 114.22 2kha s LYS 58 Ca 0.27 0.07 -0.08 0.00 -1.56 0.00 0.00 55.97 54.67 2kha s LYS 58 Cb 0.33 0.03 0.13 0.00 -1.46 0.00 0.00 37.83 36.86 2kha s LYS 58 CO -0.05 -0.14 0.30 -2.30 0.16 0.00 0.00 175.35 173.32 2kha n PRO 59 N 5.04 -1.35 0.01 4.03 -0.02 -1.26 -4.85 135.00 136.60 2kha n PRO 59 Ca 0.10 -0.50 -0.00 0.00 -2.02 0.00 0.00 63.50 61.08 2kha n PRO 59 Cb 0.58 -0.89 -0.00 0.00 -0.02 0.00 0.00 33.50 33.18 2kha n PRO 59 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2kha n LYS 60 N -1.77 0.02 -3.18 -0.52 4.76 0.15 -4.92 118.16 112.70 2kha n LYS 60 Ca 0.05 0.01 -0.14 0.00 -2.87 0.00 0.00 58.31 55.35 2kha n LYS 60 Cb 0.21 -0.24 -0.05 0.00 -1.84 0.00 0.00 35.03 33.10 2kha n LYS 60 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2kha s GLU 61 N -1.33 0.86 0.00 1.97 2.02 -1.26 -4.85 118.70 116.11 2kha s GLU 61 Ca -0.01 -1.22 0.00 0.00 0.02 0.00 0.00 54.97 53.76 2kha s GLU 61 Cb 0.00 -0.64 0.00 0.00 0.10 0.00 0.00 34.13 33.59 2kha s GLU 61 CO 0.02 -1.29 0.00 0.41 0.02 0.00 0.00 175.26 174.42 2kha n GLY 62 N 3.48 0.68 3.40 -1.39 0.00 -1.26 -4.91 105.19 105.19 2kha n GLY 62 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 2kha n GLY 62 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kha s ARG 63 N -0.38 1.23 0.27 1.61 1.70 -1.26 -0.67 118.95 121.45 2kha s ARG 63 Ca 0.00 -0.57 -0.01 0.00 -0.47 0.00 0.00 55.73 54.67 2kha s ARG 63 Cb 0.00 0.55 -0.04 0.00 -0.57 0.00 0.00 34.95 34.89 2kha s ARG 63 CO 0.00 -0.52 0.48 -1.58 -1.08 0.00 0.00 175.30 172.60 2kha s TRP 64 N -3.78 3.48 -0.12 5.89 0.52 -0.98 0.33 118.94 124.29 2kha s TRP 64 Ca 0.02 0.42 -0.02 0.00 0.02 0.00 0.00 56.10 56.54 2kha s TRP 64 Cb -0.00 -1.93 0.04 0.00 -1.15 0.00 0.00 33.47 30.43 2kha s TRP 64 CO -0.12 0.25 0.01 0.99 0.02 0.00 0.00 176.95 178.10 2kha s THR 65 N -2.06 0.48 -0.30 2.01 2.01 -1.26 -2.40 115.64 114.12 2kha s THR 65 Ca 0.40 -0.17 -0.05 0.00 0.31 0.00 0.00 61.69 62.19 2kha s THR 65 Cb -0.10 -0.76 0.03 0.00 0.01 0.00 0.00 72.50 71.67 2kha s THR 65 CO 0.31 0.09 0.05 0.12 -0.69 0.00 0.00 174.62 174.50 2kha s PHE 66 N 1.91 3.18 0.05 4.92 5.36 0.29 -4.96 117.98 128.73 2kha s PHE 66 Ca 0.03 -1.35 0.09 0.00 -0.96 0.00 0.00 56.93 54.73 2kha s PHE 66 Cb -0.14 -2.20 -0.03 0.00 -0.34 0.00 0.00 43.02 40.31 2kha s PHE 66 CO -0.07 -0.69 -0.25 1.03 -1.46 0.00 0.00 175.22 173.79 2kha s ARG 67 N 1.40 1.85 -0.20 10.12 0.52 -1.26 0.25 118.95 131.62 2kha s ARG 67 Ca -0.00 -1.09 -0.04 0.00 -0.52 0.00 0.00 55.73 54.07 2kha s ARG 67 Cb -0.18 -2.02 0.07 0.00 0.52 0.00 0.00 34.95 33.34 2kha s ARG 67 CO 0.01 0.52 0.08 0.34 0.02 0.00 0.00 175.30 176.27 2kha s ASP 68 N -1.30 2.78 -0.14 0.23 -1.08 -0.67 -4.92 116.67 111.58 2kha s ASP 68 Ca 0.12 -0.83 0.05 0.00 -0.52 0.00 0.00 52.55 51.37 2kha s ASP 68 Cb -0.10 -0.39 0.36 0.00 -1.46 0.00 0.00 42.92 41.33 2kha s ASP 68 CO 0.03 -0.36 1.17 0.54 0.52 0.00 0.00 175.17 177.07 2kha n ARG 69 N 5.19 2.50 -1.76 4.34 1.74 -1.26 0.11 116.66 127.51 2kha n ARG 69 Ca -0.07 -1.44 0.02 0.00 -0.77 0.00 0.00 57.85 55.58 2kha n ARG 69 Cb 0.47 -1.78 0.05 0.00 -1.02 0.00 0.00 32.46 30.18 2kha n ARG 69 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2kha n ASN 70 N 0.15 1.44 -4.37 0.55 5.03 -1.20 -4.64 115.26 112.22 2kha n ASN 70 Ca 0.17 -2.33 -0.44 0.00 0.87 0.00 0.00 54.58 52.85 2kha n ASN 70 Cb 0.78 -0.38 -0.08 0.00 -1.02 0.00 0.00 39.78 39.09 2kha n ASN 70 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kha s ALA 71 N -1.55 3.51 -1.14 5.41 0.00 -1.24 -4.99 121.76 121.76 2kha s ALA 71 Ca 0.34 -2.11 -0.20 0.00 0.00 0.00 0.00 51.96 49.99 2kha s ALA 71 Cb 0.37 -3.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.44 2kha s ALA 71 CO -0.11 -1.71 1.93 1.17 0.00 0.00 0.00 175.76 177.04 2kha n LYS 72 N 5.15 2.13 -2.82 0.00 4.81 -1.26 -3.83 118.16 122.34 2kha n LYS 72 Ca -0.12 -2.51 -0.29 0.00 -0.87 0.00 0.00 58.31 54.52 2kha n LYS 72 Cb 0.44 -3.40 -0.02 0.00 0.02 0.00 0.00 35.03 32.07 2kha n LYS 72 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2kha s LEU 73 N 5.54 3.77 -0.01 3.14 1.43 -1.26 -5.10 118.68 126.19 2kha s LEU 73 Ca 0.59 1.01 0.00 0.00 -1.03 0.00 0.00 54.13 54.70 2kha s LEU 73 Cb 0.07 -3.91 0.01 0.00 0.03 0.00 0.00 46.19 42.39 2kha s LEU 73 CO 0.09 -0.45 -0.01 -0.54 0.23 0.00 0.00 176.35 175.67 2kha s LYS 74 N -4.17 0.18 0.21 1.70 -0.14 -1.26 -4.99 119.74 111.26 2kha s LYS 74 Ca 0.49 0.02 -0.32 0.00 -1.36 0.00 0.00 55.97 54.79 2kha s LYS 74 Cb -0.10 -0.28 -0.13 0.00 -1.68 0.00 0.00 37.83 35.63 2kha s LYS 74 CO 0.37 -0.05 1.58 -0.11 -0.76 0.00 0.00 175.35 176.37 2kha n LEU 75 N 3.59 3.47 0.00 3.17 0.00 -1.25 -2.08 117.00 123.90 2kha n LEU 75 Ca -0.20 1.10 0.00 0.00 0.00 0.00 0.00 56.01 56.91 2kha n LEU 75 Cb 0.55 -1.48 0.00 0.00 0.00 0.00 0.00 43.42 42.48 2kha n LEU 75 CO 0.24 -0.17 0.00 0.61 0.00 0.00 0.00 177.39 178.07 2kha n GLY 76 N 3.11 1.84 3.74 -3.96 0.00 -1.25 -4.84 105.19 103.83 2kha n GLY 76 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2kha n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kha s ASP 77 N 0.09 3.91 0.45 1.61 -1.08 -0.88 -4.75 116.67 116.00 2kha s ASP 77 Ca 0.00 1.68 0.06 0.00 -0.52 0.00 0.00 52.55 53.77 2kha s ASP 77 Cb 0.00 -2.36 -0.03 0.00 -1.46 0.00 0.00 42.92 39.07 2kha s ASP 77 CO 0.00 -2.39 0.19 -0.75 0.52 0.00 0.00 175.17 172.74 2kha s LYS 78 N -4.90 2.22 0.01 4.34 2.20 -1.26 -1.57 119.74 120.78 2kha s LYS 78 Ca 0.63 -1.95 0.05 0.00 -0.36 0.00 0.00 55.97 54.34 2kha s LYS 78 Cb -0.18 -1.94 -0.02 0.00 -1.51 0.00 0.00 37.83 34.19 2kha s LYS 78 CO 0.57 -0.23 -0.16 0.42 -0.36 0.00 0.00 175.35 175.58 2kha s ILE 79 N -2.67 1.29 -0.08 5.43 1.09 0.20 -1.90 121.20 124.56 2kha s ILE 79 Ca 0.35 -0.86 -0.03 0.00 -1.10 0.00 0.00 60.65 59.01 2kha s ILE 79 Cb 0.03 -1.10 0.04 0.00 -1.06 0.00 0.00 42.46 40.37 2kha s ILE 79 CO 0.20 0.23 0.17 -0.31 -0.10 0.00 0.00 174.94 175.13 2kha s TYR 80 N -0.58 -0.21 0.28 3.97 2.02 -0.93 -2.12 117.35 119.78 2kha s TYR 80 Ca 0.05 0.59 -0.12 0.00 -0.37 0.00 0.00 57.07 57.22 2kha s TYR 80 Cb -0.07 -0.08 0.05 0.00 -0.40 0.00 0.00 41.96 41.46 2kha s TYR 80 CO 0.00 -0.20 0.63 1.97 -1.57 0.00 0.00 175.55 176.38 2kha n PHE 81 N 4.42 -1.93 -3.72 2.71 1.16 -1.03 -0.39 117.46 118.69 2kha n PHE 81 Ca -0.22 -1.36 -0.12 0.00 -1.87 0.00 0.00 57.45 53.88 2kha n PHE 81 Cb 0.52 0.68 -0.12 0.00 -1.61 0.00 0.00 39.48 38.95 2kha n PHE 81 CO 0.00 0.00 0.00 1.67 -1.87 0.00 0.00 176.76 176.56 2kha s TRP 82 N -3.68 -0.46 0.16 2.97 1.48 0.25 -0.61 118.94 119.05 2kha s TRP 82 Ca 0.13 1.03 0.03 0.00 -1.06 0.00 0.00 56.10 56.22 2kha s TRP 82 Cb -0.04 0.16 -0.03 0.00 -1.16 0.00 0.00 33.47 32.40 2kha s TRP 82 CO 0.08 -0.28 0.28 0.95 -4.06 0.00 0.00 176.95 173.93 2kha s THR 83 N 1.20 5.25 0.04 0.66 -4.23 -1.09 -1.86 115.64 115.61 2kha s THR 83 Ca -0.08 -0.75 0.03 0.00 -1.18 0.00 0.00 61.69 59.70 2kha s THR 83 Cb -0.09 -3.72 -0.02 0.00 1.34 0.00 0.00 72.50 70.02 2kha s THR 83 CO -0.09 -0.12 -0.09 -0.47 -0.54 0.00 0.00 174.62 173.31 2kha s TYR 84 N -1.77 0.75 0.15 3.99 5.04 0.44 -1.15 117.35 124.80 2kha s TYR 84 Ca 0.34 -0.42 0.00 0.00 -2.44 0.00 0.00 57.07 54.55 2kha s TYR 84 Cb -0.11 -0.45 -0.04 0.00 0.35 0.00 0.00 41.96 41.71 2kha s TYR 84 CO 0.28 -0.05 0.04 0.54 -1.34 0.00 0.00 175.55 175.03 2kha s VAL 85 N -1.14 0.32 -0.20 3.14 0.11 0.32 0.11 120.40 123.06 2kha s VAL 85 Ca -0.06 -1.94 -0.04 0.00 -2.93 0.00 0.00 61.98 57.00 2kha s VAL 85 Cb -0.09 -2.11 0.08 0.00 -1.53 0.00 0.00 36.38 32.74 2kha s VAL 85 CO 0.01 -0.44 0.13 -0.63 -3.33 0.00 0.00 175.10 170.84 2kha s ILE 86 N -3.90 -0.15 -0.96 7.04 -1.09 0.25 -2.16 121.20 120.23 2kha s ILE 86 Ca 0.25 -0.28 -0.00 0.00 -2.23 0.00 0.00 60.65 58.39 2kha s ILE 86 Cb 0.07 -0.69 0.32 0.00 -1.58 0.00 0.00 42.46 40.58 2kha s ILE 86 CO 0.03 -0.36 1.59 1.17 -1.23 0.00 0.00 174.94 176.14 2kha n LYS 87 N 5.28 4.82 -2.38 2.79 0.00 -1.02 0.38 118.16 128.04 2kha n LYS 87 Ca -0.06 -4.67 -0.03 0.00 0.00 0.00 0.00 58.31 53.54 2kha n LYS 87 Cb 0.48 -2.44 0.02 0.00 0.00 0.00 0.00 35.03 33.09 2kha n LYS 87 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2kha n ASP 88 N 0.24 -4.85 -1.09 3.14 2.03 -1.26 -3.85 116.55 110.90 2kha n ASP 88 Ca 0.40 -0.18 -0.10 0.00 0.52 0.00 0.00 54.79 55.42 2kha n ASP 88 Cb 0.30 -3.19 -0.01 0.00 -0.72 0.00 0.00 41.12 37.49 2kha n ASP 88 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kha n GLY 89 N -1.39 0.17 2.37 0.27 0.00 -1.26 -4.96 105.19 100.38 2kha n GLY 89 Ca -0.02 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 2kha n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kha n LEU 90 N -1.41 -0.69 -4.88 0.99 4.77 -1.25 -5.13 117.00 109.40 2kha n LEU 90 Ca -0.12 -4.29 -0.31 0.00 -0.03 0.00 0.00 56.01 51.27 2kha n LEU 90 Cb 0.55 0.64 0.02 0.00 -2.33 0.00 0.00 43.42 42.30 2kha n LEU 90 CO 0.14 1.98 0.73 -0.83 -1.33 0.00 0.00 177.39 178.08 2kha s GLY 91 N -0.65 1.65 -0.04 -0.72 0.00 -1.25 -2.43 107.32 103.89 2kha s GLY 91 Ca 0.34 -0.18 -0.19 0.00 0.00 0.00 0.00 44.72 44.69 2kha s GLY 91 CO -0.15 0.12 0.41 -0.19 0.00 0.00 0.00 173.10 173.29 2kha s TYR 92 N -3.25 -0.32 0.01 1.90 1.51 -0.92 -4.93 117.35 111.36 2kha s TYR 92 Ca 0.56 0.55 0.03 0.00 -1.01 0.00 0.00 57.07 57.20 2kha s TYR 92 Cb -0.11 0.17 -0.01 0.00 -0.11 0.00 0.00 41.96 41.90 2kha s TYR 92 CO 0.53 -0.42 -0.08 -0.98 -1.11 0.00 0.00 175.55 173.48 2kha s ARG 93 N -1.14 0.62 -1.05 -0.62 1.70 -1.25 -0.52 118.95 116.69 2kha s ARG 93 Ca -0.12 -0.44 -0.06 0.00 -0.47 0.00 0.00 55.73 54.64 2kha s ARG 93 Cb -0.04 -0.56 0.28 0.00 -0.57 0.00 0.00 34.95 34.06 2kha s ARG 93 CO 0.05 0.14 1.16 0.94 -1.08 0.00 0.00 175.30 176.52 2kha n GLN 94 N 2.43 3.65 -1.54 3.89 7.27 -0.30 -4.55 117.38 128.23 2kha n GLN 94 Ca -0.16 -4.50 -0.27 0.00 0.07 0.00 0.00 57.00 52.13 2kha n GLN 94 Cb 0.56 -2.50 0.20 0.00 2.41 0.00 0.00 30.24 30.91 2kha n GLN 94 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 2kha n ASP 95 N 2.11 -0.49 -0.89 1.69 5.75 -1.26 -2.65 116.55 120.81 2kha n ASP 95 Ca 0.25 -1.35 -0.12 0.00 -0.01 0.00 0.00 54.79 53.55 2kha n ASP 95 Cb 0.37 -0.94 -0.05 0.00 -1.03 0.00 0.00 41.12 39.47 2kha n ASP 95 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2kha n ASN 96 N -4.05 -5.40 -4.73 -1.12 5.15 -1.17 -4.90 115.26 99.03 2kha n ASN 96 Ca 0.15 0.29 -0.30 0.00 -0.60 0.00 0.00 54.58 54.11 2kha n ASN 96 Cb 0.54 -3.92 0.13 0.00 -0.53 0.00 0.00 39.78 35.99 2kha n ASN 96 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2kha s GLY 97 N -2.50 1.65 0.01 8.20 0.00 0.22 -4.89 107.32 110.00 2kha s GLY 97 Ca 0.00 0.15 -0.21 0.00 0.00 0.00 0.00 44.72 44.66 2kha s GLY 97 CO 0.00 0.58 0.47 1.85 0.00 0.00 0.00 173.10 175.99 2kha s GLU 98 N -4.87 0.91 0.20 2.90 -6.30 -1.26 -2.45 118.70 107.83 2kha s GLU 98 Ca 0.63 -0.16 -0.17 0.00 -2.50 0.00 0.00 54.97 52.77 2kha s GLU 98 Cb -0.18 0.42 0.02 0.00 0.00 0.00 0.00 34.13 34.39 2kha s GLU 98 CO 0.57 -0.30 0.51 -0.46 0.02 0.00 0.00 175.26 175.60 2kha s TRP 99 N -1.92 -0.07 0.23 5.30 -0.00 -0.90 -4.95 118.94 116.63 2kha s TRP 99 Ca -0.08 -0.28 0.07 0.00 -0.00 0.00 0.00 56.10 55.81 2kha s TRP 99 Cb -0.02 0.36 -0.04 0.00 -0.00 0.00 0.00 33.47 33.78 2kha s TRP 99 CO 0.02 -0.91 0.11 -0.08 -0.00 0.00 0.00 176.95 176.08 2kha s THR 100 N -3.88 4.08 -0.01 5.86 -1.32 -1.26 0.61 115.64 119.71 2kha s THR 100 Ca 0.10 -1.50 0.00 0.00 -1.21 0.00 0.00 61.69 59.08 2kha s THR 100 Cb -0.01 -3.16 -0.00 0.00 -1.51 0.00 0.00 72.50 67.82 2kha s THR 100 CO -0.02 -0.29 0.15 0.52 -2.21 0.00 0.00 174.62 172.77 2kha n VAL 101 N -0.84 0.00 0.35 5.08 0.31 -0.61 -4.65 118.33 117.97 2kha n VAL 101 Ca -0.08 -0.50 0.04 0.00 -0.01 0.00 0.00 64.34 63.80 2kha n VAL 101 Cb 0.57 1.00 0.20 0.00 -0.91 0.00 0.00 33.84 34.71 2kha n VAL 101 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 2kha n THR 102 N -0.71 1.17 -4.25 2.52 5.66 -1.26 -3.75 114.28 113.66 2kha n THR 102 Ca 0.00 0.29 -0.18 0.00 -3.05 0.00 0.00 64.05 61.11 2kha n THR 102 Cb 0.00 -1.14 -0.15 0.00 -1.55 0.00 0.00 70.33 67.49 2kha n THR 102 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2kha s GLU 103 N -2.84 0.66 0.19 1.09 2.12 -1.26 -4.70 118.70 113.96 2kha s GLU 103 Ca 0.06 -0.22 0.10 0.00 0.36 0.00 0.00 54.97 55.27 2kha s GLU 103 Cb 0.06 -0.65 -0.04 0.00 0.26 0.00 0.00 34.13 33.76 2kha s GLU 103 CO 0.15 0.09 -0.21 -0.06 -0.54 0.00 0.00 175.26 174.69 2kha s PHE 104 N 0.12 2.10 0.12 5.30 0.40 -1.26 -4.09 117.98 120.67 2kha s PHE 104 Ca -0.01 -0.40 0.06 0.00 -0.60 0.00 0.00 56.93 55.97 2kha s PHE 104 Cb -0.06 -1.03 -0.04 0.00 0.51 0.00 0.00 43.02 42.40 2kha s PHE 104 CO -0.00 0.44 -0.00 0.14 0.70 0.00 0.00 175.22 176.50 2kha s VAL 105 N -1.88 3.88 0.46 -0.44 -7.23 0.38 0.19 120.40 115.75 2kha s VAL 105 Ca 0.19 -1.16 -0.15 0.00 -1.81 0.00 0.00 61.98 59.05 2kha s VAL 105 Cb -0.07 -2.89 -0.08 0.00 0.56 0.00 0.00 36.38 33.90 2kha s VAL 105 CO 0.09 0.03 0.90 0.20 -0.31 0.00 0.00 175.10 176.01 2kha s ASN 106 N -2.55 6.66 0.48 4.85 0.01 1.22 -3.32 114.94 122.29 2kha s ASN 106 Ca 0.26 1.45 0.25 0.00 -0.71 0.00 0.00 52.86 54.11 2kha s ASN 106 Cb -0.11 -2.45 1.38 0.00 0.41 0.00 0.00 41.25 40.48 2kha s ASN 106 CO 0.18 -0.47 1.74 -0.08 -1.51 0.00 0.00 177.10 176.97 2kha h GLU 107 N 1.27 0.00 -0.02 -0.60 4.81 -1.88 0.87 114.58 119.03 2kha h GLU 107 Ca -0.47 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.62 2kha h GLU 107 Cb 1.18 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 2kha h GLU 107 CO 0.62 0.00 -0.62 -0.44 -0.73 0.00 0.00 179.01 177.84 2kha h ASP 108 N 0.00 0.07 0.00 1.04 3.32 -2.01 -3.47 116.42 115.37 2kha h ASP 108 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2kha h ASP 108 Cb 0.39 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2kha h ASP 108 CO 0.00 0.67 0.00 0.61 -1.72 0.00 0.00 179.24 178.80 2kha n GLY 109 N 0.27 1.81 3.16 2.75 0.00 0.30 -5.14 105.19 108.35 2kha n GLY 109 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 2kha n GLY 109 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kha s THR 110 N -2.00 0.16 -0.01 2.61 -4.23 -1.22 -4.86 115.64 106.08 2kha s THR 110 Ca 0.00 -1.60 -0.39 0.00 -1.18 0.00 0.00 61.69 58.52 2kha s THR 110 Cb 0.00 -1.59 -0.18 0.00 1.34 0.00 0.00 72.50 72.07 2kha s THR 110 CO 0.00 -0.73 1.31 -2.65 -0.54 0.00 0.00 174.62 172.00 2kha n PRO 111 N -0.01 0.70 -3.05 3.99 -0.02 -1.26 0.38 135.00 135.73 2kha n PRO 111 Ca -0.12 0.25 -0.45 0.00 -2.02 0.00 0.00 63.50 61.16 2kha n PRO 111 Cb 0.62 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.23 2kha n PRO 111 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kha s ALA 112 N 0.78 3.51 1.02 3.55 0.00 0.50 -4.50 121.76 126.61 2kha s ALA 112 Ca 0.89 -2.68 -0.02 0.00 0.00 0.00 0.00 51.96 50.15 2kha s ALA 112 Cb -1.10 -3.80 0.03 0.00 0.00 0.00 0.00 23.12 18.25 2kha s ALA 112 CO 0.54 -2.67 0.12 -3.47 0.00 0.00 0.00 175.76 170.29 2kha n ASP 113 N 6.05 -1.03 0.05 0.00 -0.08 -1.26 -4.63 116.55 115.63 2kha n ASP 113 Ca 0.12 -0.61 -0.02 0.00 -1.51 0.00 0.00 54.79 52.77 2kha n ASP 113 Cb 0.47 -0.11 0.26 0.00 2.34 0.00 0.00 41.12 44.07 2kha n ASP 113 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2kha h THR 114 N -1.59 1.25 -2.96 5.18 1.35 -2.01 -3.49 112.91 110.64 2kha h THR 114 Ca -0.05 -1.15 0.36 0.00 -0.55 0.00 0.00 66.41 65.02 2kha h THR 114 Cb 0.14 1.33 -0.09 0.00 -1.73 0.00 0.00 68.15 67.79 2kha h THR 114 CO 0.03 0.36 -0.50 -0.24 -0.25 0.00 0.00 175.52 174.92 2kha n SER 115 N -4.15 -7.87 -3.48 5.36 2.88 -1.26 -4.76 113.62 100.33 2kha n SER 115 Ca -0.00 0.55 -0.27 0.00 -1.33 0.00 0.00 58.87 57.82 2kha n SER 115 Cb 0.37 -4.02 -0.10 0.00 -0.75 0.00 0.00 64.21 59.70 2kha n SER 115 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kha n LEU 116 N -3.99 0.19 -4.63 2.46 -0.00 -1.26 -5.10 117.00 104.66 2kha n LEU 116 Ca 0.01 -4.54 -0.41 0.00 -0.00 0.00 0.00 56.01 51.07 2kha n LEU 116 Cb 0.61 0.30 -0.06 0.00 -0.00 0.00 0.00 43.42 44.27 2kha n LEU 116 CO 0.01 1.84 0.49 -0.70 -0.00 0.00 0.00 177.39 179.03 2kha s GLU 117 N -0.25 4.14 0.00 1.47 2.12 -1.26 -5.33 118.70 119.59 2kha s GLU 117 Ca 0.32 0.70 0.17 0.00 0.36 0.00 0.00 54.97 56.51 2kha s GLU 117 Cb 0.03 -3.64 1.01 0.00 0.26 0.00 0.00 34.13 31.78 2kha s GLU 117 CO -0.19 -0.44 1.41 -0.35 -0.54 0.00 0.00 175.26 175.15