#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 2.09 0.29 2.61 5.04 -1.26 -5.12 117.35 121.01 2kha s TYR 7 Ca 0.00 -0.24 0.09 0.00 -2.44 0.00 0.00 57.07 54.48 2kha s TYR 7 Cb 0.00 -2.78 -0.04 0.00 0.35 0.00 0.00 41.96 39.49 2kha s TYR 7 CO 0.00 -1.27 0.05 0.08 -1.34 0.00 0.00 175.55 173.07 2kha s VAL 8 N -2.91 3.29 0.15 3.14 1.01 -1.26 -4.94 120.40 118.88 2kha s VAL 8 Ca 0.62 -1.83 -0.31 0.00 0.00 0.00 0.00 61.98 60.46 2kha s VAL 8 Cb -0.07 -2.91 -0.09 0.00 0.00 0.00 0.00 36.38 33.31 2kha s VAL 8 CO 0.41 -0.30 1.47 0.54 0.00 0.00 0.00 175.10 177.22 2kha s VAL 9 N -2.37 2.96 0.04 2.92 0.11 -1.26 -5.00 120.40 117.79 2kha s VAL 9 Ca 0.34 0.70 -0.01 0.00 -2.93 0.00 0.00 61.98 60.08 2kha s VAL 9 Cb -0.05 -3.45 0.01 0.00 -1.53 0.00 0.00 36.38 31.37 2kha s VAL 9 CO 0.21 0.06 0.02 -2.65 -3.33 0.00 0.00 175.10 169.41 2kha n PRO 10 N 3.83 -1.75 -4.21 1.54 -0.02 -1.26 -4.82 135.00 128.32 2kha n PRO 10 Ca 0.12 -0.04 -0.34 0.00 -2.02 0.00 0.00 63.50 61.22 2kha n PRO 10 Cb 0.40 -0.05 -0.13 0.00 -0.02 0.00 0.00 33.50 33.71 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 -1.89 4.48 -0.59 2.55 0.15 -1.26 -4.71 113.70 112.43 2kha s SER 11 Ca 0.02 -0.28 -0.28 0.00 0.70 0.00 0.00 55.95 56.11 2kha s SER 11 Cb -0.00 -1.75 0.02 0.00 -1.71 0.00 0.00 66.02 62.58 2kha s SER 11 CO 0.01 0.07 1.35 0.00 1.20 0.00 0.00 173.24 175.88 2kha s ALA 12 N 0.93 2.83 -0.40 5.45 0.00 -1.25 -4.07 121.76 125.25 2kha s ALA 12 Ca -0.00 -0.81 -0.19 0.00 0.00 0.00 0.00 51.96 50.95 2kha s ALA 12 Cb -0.15 -4.11 0.01 0.00 0.00 0.00 0.00 23.12 18.87 2kha s ALA 12 CO 0.01 -2.94 0.55 0.21 0.00 0.00 0.00 175.76 173.59 2kha s LYS 13 N 5.44 3.37 0.29 0.00 2.20 0.28 -4.86 119.74 126.45 2kha s LYS 13 Ca 0.48 -0.38 0.07 0.00 -0.36 0.00 0.00 55.97 55.78 2kha s LYS 13 Cb -0.10 -3.90 -0.03 0.00 -1.51 0.00 0.00 37.83 32.29 2kha s LYS 13 CO 0.24 -0.84 0.24 -0.51 -0.36 0.00 0.00 175.35 174.11 2kha s LEU 14 N 2.52 3.70 -0.10 5.43 1.02 -1.26 -0.70 118.68 129.29 2kha s LEU 14 Ca 0.19 -0.38 -0.18 0.00 0.02 0.00 0.00 54.13 53.78 2kha s LEU 14 Cb -0.15 -2.27 0.04 0.00 0.02 0.00 0.00 46.19 43.83 2kha s LEU 14 CO 0.16 -0.19 0.45 -1.61 0.02 0.00 0.00 176.35 175.17 2kha s GLU 15 N -3.91 0.68 -0.23 1.70 0.41 0.23 -4.96 118.70 112.61 2kha s GLU 15 Ca 0.37 0.28 -0.23 0.00 -0.41 0.00 0.00 54.97 54.98 2kha s GLU 15 Cb -0.07 0.32 -0.01 0.00 -1.78 0.00 0.00 34.13 32.59 2kha s GLU 15 CO 0.26 -0.15 0.73 0.00 -0.49 0.00 0.00 175.26 175.61 2kha s ALA 16 N -0.57 3.61 -0.36 5.21 0.00 -1.26 -1.43 121.76 126.97 2kha s ALA 16 Ca -0.07 -0.24 -0.15 0.00 0.00 0.00 0.00 51.96 51.51 2kha s ALA 16 Cb -0.03 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 2kha s ALA 16 CO 0.04 -0.81 0.33 0.42 0.00 0.00 0.00 175.76 175.74 2kha s ILE 17 N 2.53 5.20 0.28 0.00 -1.09 0.33 0.15 121.20 128.60 2kha s ILE 17 Ca 0.31 -0.14 -0.28 0.00 -2.23 0.00 0.00 60.65 58.32 2kha s ILE 17 Cb -0.16 -3.83 -0.09 0.00 -1.58 0.00 0.00 42.46 36.81 2kha s ILE 17 CO 0.09 -0.13 0.96 -0.47 -1.23 0.00 0.00 174.94 174.16 2kha s TYR 18 N 1.91 3.80 -2.42 3.97 5.04 -1.24 -0.29 117.35 128.12 2kha s TYR 18 Ca 0.10 1.83 0.22 0.00 -2.44 0.00 0.00 57.07 56.78 2kha s TYR 18 Cb -0.17 -2.99 0.51 0.00 0.35 0.00 0.00 41.96 39.66 2kha s TYR 18 CO 0.11 0.21 1.44 -0.35 -1.34 0.00 0.00 175.55 175.62 2kha n PRO 19 N 1.01 2.28 -3.14 4.97 -0.04 -1.26 -4.74 135.00 134.08 2kha n PRO 19 Ca -0.00 -1.93 0.03 0.00 -0.04 0.00 0.00 63.50 61.56 2kha n PRO 19 Cb 0.48 -1.48 -0.00 0.00 -0.04 0.00 0.00 33.50 32.46 2kha n PRO 19 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kha s ARG 20 N -1.58 0.58 0.00 0.54 0.52 -0.62 -4.81 118.95 113.57 2kha s ARG 20 Ca 0.37 0.17 0.00 0.00 -0.52 0.00 0.00 55.73 55.74 2kha s ARG 20 Cb 0.21 0.16 0.00 0.00 0.52 0.00 0.00 34.95 35.84 2kha s ARG 20 CO 0.30 -0.96 0.00 0.41 0.02 0.00 0.00 175.30 175.07 2kha n GLY 21 N 4.89 1.45 3.56 -3.53 0.00 0.60 -4.34 105.19 107.83 2kha n GLY 21 Ca 0.08 -0.92 -0.04 0.00 0.00 0.00 0.00 46.02 45.14 2kha n GLY 21 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kha s LEU 22 N 0.00 -0.99 -0.12 0.99 0.05 -0.20 0.12 118.68 118.53 2kha s LEU 22 Ca 0.00 1.44 -0.12 0.00 0.05 0.00 0.00 54.13 55.50 2kha s LEU 22 Cb 0.00 2.11 -0.05 0.00 -2.05 0.00 0.00 46.19 46.20 2kha s LEU 22 CO 0.00 -0.22 0.26 -0.60 -0.55 0.00 0.00 176.35 175.23 2kha s ARG 23 N 2.61 3.95 0.16 1.48 3.00 -0.51 -1.12 118.95 128.52 2kha s ARG 23 Ca -0.06 0.06 0.09 0.00 -1.00 0.00 0.00 55.73 54.83 2kha s ARG 23 Cb -0.11 -3.32 -0.04 0.00 0.00 0.00 0.00 34.95 31.48 2kha s ARG 23 CO -0.18 0.49 -0.21 0.08 0.00 0.00 0.00 175.30 175.48 2kha s VAL 24 N -0.28 1.99 0.02 7.11 1.01 -0.59 -0.60 120.40 129.05 2kha s VAL 24 Ca 0.17 -1.89 -0.22 0.00 0.00 0.00 0.00 61.98 60.04 2kha s VAL 24 Cb -0.13 -1.89 0.05 0.00 0.00 0.00 0.00 36.38 34.40 2kha s VAL 24 CO 0.05 -0.20 0.49 -0.44 0.00 0.00 0.00 175.10 175.00 2kha s SER 25 N -2.52 -0.40 -0.13 3.32 0.01 0.12 -1.45 113.70 112.65 2kha s SER 25 Ca 0.16 0.22 -0.05 0.00 1.31 0.00 0.00 55.95 57.59 2kha s SER 25 Cb -0.07 0.45 0.06 0.00 0.21 0.00 0.00 66.02 66.67 2kha s SER 25 CO 0.07 -0.63 0.28 0.27 0.41 0.00 0.00 173.24 173.63 2kha s ILE 26 N -2.00 -0.36 -0.62 1.44 -4.36 -1.04 0.98 121.20 115.24 2kha s ILE 26 Ca -0.08 0.24 -0.27 0.00 -0.26 0.00 0.00 60.65 60.29 2kha s ILE 26 Cb -0.01 -0.45 -0.11 0.00 1.25 0.00 0.00 42.46 43.13 2kha s ILE 26 CO 0.02 0.10 2.48 -0.81 0.24 0.00 0.00 174.94 176.97 2kha n PRO 27 N 5.13 0.78 -0.80 0.37 -0.04 -1.26 -1.81 135.00 137.36 2kha n PRO 27 Ca -0.10 -0.03 -0.31 0.00 -0.04 0.00 0.00 63.50 63.02 2kha n PRO 27 Cb 0.50 -3.00 0.16 0.00 -0.04 0.00 0.00 33.50 31.13 2kha n PRO 27 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2kha s ASP 28 N 11.39 2.97 -0.31 3.54 2.15 0.35 -4.50 116.67 132.26 2kha s ASP 28 Ca 1.07 2.00 0.18 0.00 0.43 0.00 0.00 52.55 56.23 2kha s ASP 28 Cb -0.42 -2.50 0.46 0.00 -0.30 0.00 0.00 42.92 40.16 2kha s ASP 28 CO 0.31 -3.04 1.15 -0.67 -0.17 0.00 0.00 175.17 172.75 2kha n ASP 29 N -4.18 0.65 -2.01 -0.34 2.03 -1.26 -4.70 116.55 106.74 2kha n ASP 29 Ca 0.10 -2.34 -0.10 0.00 0.52 0.00 0.00 54.79 52.96 2kha n ASP 29 Cb 0.53 -0.14 0.04 0.00 -0.72 0.00 0.00 41.12 40.83 2kha n ASP 29 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kha n GLY 30 N -0.55 0.20 0.48 0.27 0.00 -1.26 -5.03 105.19 99.29 2kha n GLY 30 Ca 0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.36 -3.56 0.00 1.61 3.72 -1.26 -4.75 117.46 109.85 2kha n PHE 31 Ca -0.03 -0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 2kha n PHE 31 Cb 0.54 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 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 -3.03 1.99 -3.86 4.37 2.88 1.08 -4.89 113.62 112.16 2kha n SER 32 Ca 0.02 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.41 2kha n SER 32 Cb 0.07 0.25 -0.15 0.00 -0.75 0.00 0.00 64.21 63.63 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 -1.96 1.58 -0.46 2.46 2.96 -1.03 -4.60 118.68 117.63 2kha s LEU 33 Ca 0.00 -0.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.91 2kha s LEU 33 Cb 0.00 -0.15 0.13 0.00 0.50 0.00 0.00 46.19 46.67 2kha s LEU 33 CO 0.00 -0.04 0.23 0.12 -1.32 0.00 0.00 176.35 175.34 2kha s PHE 34 N 0.48 2.42 -0.15 5.38 5.36 -0.91 0.83 117.98 131.40 2kha s PHE 34 Ca -0.05 -2.66 -0.25 0.00 -0.96 0.00 0.00 56.93 53.01 2kha s PHE 34 Cb -0.07 -2.22 -0.02 0.00 -0.34 0.00 0.00 43.02 40.37 2kha s PHE 34 CO -0.01 -0.78 0.80 0.00 -1.46 0.00 0.00 175.22 173.78 2kha s ALA 35 N 0.21 3.48 -0.23 11.12 0.00 0.42 -1.91 121.76 134.85 2kha s ALA 35 Ca 0.17 0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.15 2kha s ALA 35 Cb -0.25 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 19.71 2kha s ALA 35 CO -0.01 -0.56 -0.07 0.12 0.00 0.00 0.00 175.76 175.24 2kha s PHE 36 N 1.92 2.99 -0.12 0.00 5.36 -1.03 0.37 117.98 127.46 2kha s PHE 36 Ca 0.38 -1.34 0.02 0.00 -0.96 0.00 0.00 56.93 55.03 2kha s PHE 36 Cb -0.17 -2.06 0.01 0.00 -0.34 0.00 0.00 43.02 40.46 2kha s PHE 36 CO 0.13 -0.67 -0.19 -1.58 -1.46 0.00 0.00 175.22 171.45 2kha s HIS 37 N 1.38 2.32 -0.20 10.12 2.46 -0.94 -1.94 115.29 128.49 2kha s HIS 37 Ca 0.03 -1.13 -0.23 0.00 0.47 0.00 0.00 55.06 54.20 2kha s HIS 37 Cb -0.15 -1.62 0.06 0.00 -0.13 0.00 0.00 32.58 30.74 2kha s HIS 37 CO -0.05 -0.54 0.63 0.20 -2.47 0.00 0.00 174.74 172.51 2kha s GLY 38 N 0.87 -0.48 0.09 1.59 0.00 -0.63 -0.68 107.32 108.09 2kha s GLY 38 Ca -0.07 1.66 0.08 0.00 0.00 0.00 0.00 44.72 46.39 2kha s GLY 38 CO -0.01 1.40 -0.17 1.25 0.00 0.00 0.00 173.10 175.56 2kha s LYS 39 N 0.04 1.89 -0.23 2.90 2.20 0.67 0.12 119.74 127.34 2kha s LYS 39 Ca -0.02 -1.11 -0.11 0.00 -0.36 0.00 0.00 55.97 54.37 2kha s LYS 39 Cb -0.04 -2.15 -0.05 0.00 -1.51 0.00 0.00 37.83 34.08 2kha s LYS 39 CO 0.02 0.50 0.18 -1.17 -0.36 0.00 0.00 175.35 174.52 2kha s LEU 40 N -1.94 4.14 -1.17 5.43 2.96 -1.26 -2.29 118.68 124.55 2kha s LEU 40 Ca 0.17 0.18 -0.03 0.00 -0.22 0.00 0.00 54.13 54.23 2kha s LEU 40 Cb -0.11 -2.14 -0.02 0.00 0.50 0.00 0.00 46.19 44.42 2kha s LEU 40 CO 0.09 0.08 0.90 -3.20 -1.32 0.00 0.00 176.35 172.90 2kha n ASN 41 N 4.13 -3.38 0.00 3.68 2.85 -0.57 -4.98 115.26 116.98 2kha n ASN 41 Ca -0.15 -0.71 0.00 0.00 -0.11 0.00 0.00 54.58 53.61 2kha n ASN 41 Cb 0.52 -4.82 0.00 0.00 1.24 0.00 0.00 39.78 36.72 2kha n ASN 41 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2kha n GLU 42 N -3.91 0.00 0.00 1.20 2.13 -1.26 -5.05 120.64 113.75 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 0.65 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.36 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 -1.04 -3.50 5.31 1.02 -1.26 -4.62 120.64 116.55 2kha n GLU 43 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 2kha n GLU 43 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 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 -2.17 1.12 -0.39 3.49 0.23 -1.26 -4.96 119.30 115.37 2kha s MET 44 Ca 0.00 -0.06 0.03 0.00 -1.03 0.00 0.00 55.69 54.62 2kha s MET 44 Cb 0.00 0.52 0.16 0.00 -1.53 0.00 0.00 34.83 33.98 2kha s MET 44 CO 0.00 -0.41 0.33 0.34 -2.03 0.00 0.00 175.02 173.24 2kha s ASP 45 N -1.83 1.72 0.00 -1.18 2.15 -1.26 -4.91 116.67 111.37 2kha s ASP 45 Ca -0.06 -2.39 0.00 0.00 0.43 0.00 0.00 52.55 50.53 2kha s ASP 45 Cb -0.00 -0.08 0.00 0.00 -0.30 0.00 0.00 42.92 42.54 2kha s ASP 45 CO 0.01 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.39 2kha n GLY 46 N 3.54 0.11 1.74 2.66 0.00 -1.26 -4.84 105.19 107.15 2kha n GLY 46 Ca 0.19 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 -4.86 0.99 4.77 -1.26 -4.85 117.00 111.79 2kha n LEU 47 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 2kha n LEU 47 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 2kha n LEU 47 CO 0.00 0.00 0.27 -1.61 -1.33 0.00 0.00 177.39 174.72 2kha s GLU 48 N -1.24 3.93 0.66 3.23 0.41 -1.26 -4.95 118.70 119.48 2kha s GLU 48 Ca 0.00 0.46 0.36 0.00 -0.41 0.00 0.00 54.97 55.38 2kha s GLU 48 Cb 0.00 -2.72 1.98 0.00 -1.78 0.00 0.00 34.13 31.61 2kha s GLU 48 CO 0.00 0.35 2.12 0.00 -0.49 0.00 0.00 175.26 177.24 2kha h ALA 49 N 2.88 1.22 -0.13 5.21 0.00 -2.00 -3.46 119.26 122.99 2kha h ALA 49 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2kha h ALA 49 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2kha h ALA 49 CO 0.67 -0.19 0.00 0.41 0.00 0.00 0.00 179.25 180.14 2kha n GLY 50 N -1.17 2.64 1.38 0.00 0.00 -1.26 -4.63 105.19 102.14 2kha n GLY 50 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2kha n GLY 50 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kha n HIS 51 N 14.00 0.00 -2.19 1.61 -0.00 0.33 -4.76 115.22 124.20 2kha n HIS 51 Ca 0.00 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.84 2kha n HIS 51 Cb 0.00 0.22 -0.04 0.00 -0.12 0.00 0.00 29.99 30.05 2kha n HIS 51 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kha s TRP 52 N -0.94 1.95 -0.51 1.57 0.51 0.31 -4.77 118.94 117.05 2kha s TRP 52 Ca 0.00 0.34 0.02 0.00 -2.12 0.00 0.00 56.10 54.34 2kha s TRP 52 Cb 0.00 -4.24 0.13 0.00 -0.81 0.00 0.00 33.47 28.55 2kha s TRP 52 CO 0.00 -1.98 0.27 0.00 -0.51 0.00 0.00 176.95 174.72 2kha s ALA 53 N 8.39 3.30 -0.03 0.98 0.00 -1.21 -1.61 121.76 131.58 2kha s ALA 53 Ca 0.61 -3.14 -0.01 0.00 0.00 0.00 0.00 51.96 49.42 2kha s ALA 53 Cb -0.07 -2.25 0.03 0.00 0.00 0.00 0.00 23.12 20.82 2kha s ALA 53 CO 0.06 -1.98 0.04 0.50 0.00 0.00 0.00 175.76 174.37 2kha s ARG 54 N -0.01 0.02 -0.06 0.00 6.06 -0.82 -4.99 118.95 119.15 2kha s ARG 54 Ca 0.16 0.25 -0.24 0.00 -2.50 0.00 0.00 55.73 53.40 2kha s ARG 54 Cb -0.24 -0.42 -0.04 0.00 0.06 0.00 0.00 34.95 34.32 2kha s ARG 54 CO -0.02 -0.23 0.71 0.16 -2.50 0.00 0.00 175.30 173.41 2kha s ASP 55 N 1.54 7.01 0.15 -2.12 -4.77 -1.26 -2.45 116.67 114.76 2kha s ASP 55 Ca -0.03 1.21 0.07 0.00 -3.30 0.00 0.00 52.55 50.50 2kha s ASP 55 Cb -0.13 -2.42 -0.04 0.00 -1.09 0.00 0.00 42.92 39.25 2kha s ASP 55 CO -0.03 -0.11 -0.01 -0.63 0.70 0.00 0.00 175.17 175.10 2kha s ILE 56 N 0.73 3.78 0.00 2.11 1.01 -0.80 -4.97 121.20 123.05 2kha s ILE 56 Ca 0.38 -1.29 0.16 0.00 0.00 0.00 0.00 60.65 59.89 2kha s ILE 56 Cb -0.18 -2.86 0.26 0.00 0.01 0.00 0.00 42.46 39.69 2kha s ILE 56 CO 0.19 -0.03 1.08 0.35 0.00 0.00 0.00 174.94 176.52 2kha n THR 57 N 0.13 0.00 -3.25 2.92 -2.24 -1.26 -2.13 114.28 108.45 2kha n THR 57 Ca -0.10 -0.60 -0.13 0.00 -2.27 0.00 0.00 64.05 60.94 2kha n THR 57 Cb 0.54 0.78 -0.05 0.00 -2.10 0.00 0.00 70.33 69.49 2kha n THR 57 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2kha s LYS 58 N 0.00 0.77 0.04 -0.78 2.36 -1.26 -5.03 119.74 115.84 2kha s LYS 58 Ca 0.21 -0.94 -0.01 0.00 -2.55 0.00 0.00 55.97 52.67 2kha s LYS 58 Cb 0.24 -0.56 0.01 0.00 -1.05 0.00 0.00 37.83 36.47 2kha s LYS 58 CO -0.10 -1.24 0.03 -2.30 1.55 0.00 0.00 175.35 173.29 2kha n PRO 59 N 3.90 -1.47 -0.35 4.03 -0.02 -1.26 -4.68 135.00 135.15 2kha n PRO 59 Ca 0.15 -0.05 0.08 0.00 -2.02 0.00 0.00 63.50 61.65 2kha n PRO 59 Cb 0.49 -0.05 0.15 0.00 -0.02 0.00 0.00 33.50 34.07 2kha n PRO 59 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2kha n LYS 60 N -1.81 1.27 -1.31 -0.52 2.85 0.32 -4.87 118.16 114.09 2kha n LYS 60 Ca 0.00 -2.74 0.00 0.00 -1.05 0.00 0.00 58.31 54.53 2kha n LYS 60 Cb 0.02 -1.43 0.00 0.00 -0.65 0.00 0.00 35.03 32.97 2kha n LYS 60 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2kha n GLU 61 N -1.16 0.00 -0.91 -1.58 2.13 -1.26 -4.49 120.64 113.37 2kha n GLU 61 Ca 0.16 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.42 2kha n GLU 61 Cb 0.68 -0.88 0.00 0.00 0.27 0.00 0.00 31.44 31.52 2kha n GLU 61 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kha n GLY 62 N 0.01 0.77 3.54 8.31 0.00 -1.26 -4.95 105.19 111.61 2kha n GLY 62 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2kha n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kha s ARG 63 N -0.22 0.52 0.52 1.61 3.00 -1.26 0.13 118.95 123.26 2kha s ARG 63 Ca 0.00 1.31 -0.11 0.00 0.00 0.00 0.00 55.73 56.93 2kha s ARG 63 Cb 0.00 0.65 -0.05 0.00 0.00 0.00 0.00 34.95 35.54 2kha s ARG 63 CO 0.00 -0.21 0.91 -1.58 0.00 0.00 0.00 175.30 174.42 2kha s TRP 64 N 2.66 3.54 -0.08 -0.53 0.52 -0.75 0.12 118.94 124.41 2kha s TRP 64 Ca -0.05 1.17 -0.01 0.00 0.02 0.00 0.00 56.10 57.23 2kha s TRP 64 Cb -0.11 -2.58 0.03 0.00 -1.15 0.00 0.00 33.47 29.65 2kha s TRP 64 CO -0.17 -0.40 -0.01 0.99 0.02 0.00 0.00 176.95 177.38 2kha s THR 65 N -2.78 0.50 -0.44 2.01 2.01 -1.26 -2.50 115.64 113.18 2kha s THR 65 Ca 0.53 0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.60 2kha s THR 65 Cb -0.10 -0.64 0.12 0.00 0.01 0.00 0.00 72.50 71.89 2kha s THR 65 CO 0.42 0.27 0.18 0.12 -0.69 0.00 0.00 174.62 174.91 2kha s PHE 66 N 1.92 3.03 0.02 4.92 5.36 -0.52 -4.98 117.98 127.73 2kha s PHE 66 Ca 0.05 -2.88 -0.10 0.00 -0.96 0.00 0.00 56.93 53.04 2kha s PHE 66 Cb -0.12 -2.60 -0.05 0.00 -0.34 0.00 0.00 43.02 39.90 2kha s PHE 66 CO -0.06 -0.82 0.34 1.03 -1.46 0.00 0.00 175.22 174.25 2kha s ARG 67 N 0.32 3.71 -0.34 10.12 1.81 -1.26 -1.54 118.95 131.78 2kha s ARG 67 Ca 0.15 0.13 -0.01 0.00 -1.72 0.00 0.00 55.73 54.27 2kha s ARG 67 Cb -0.23 -3.09 0.12 0.00 -0.45 0.00 0.00 34.95 31.30 2kha s ARG 67 CO -0.04 0.64 0.18 -0.51 -0.68 0.00 0.00 175.30 174.88 2kha s ASP 68 N -1.52 3.33 -0.14 0.23 1.11 -0.28 -4.98 116.67 114.42 2kha s ASP 68 Ca 0.28 -1.88 0.05 0.00 0.18 0.00 0.00 52.55 51.18 2kha s ASP 68 Cb -0.14 -0.49 0.37 0.00 1.07 0.00 0.00 42.92 43.72 2kha s ASP 68 CO 0.15 -0.36 1.17 -2.11 1.18 0.00 0.00 175.17 175.21 2kha n ARG 69 N 4.47 2.51 -0.81 8.23 1.85 -1.26 -1.03 116.66 130.61 2kha n ARG 69 Ca 0.04 -1.45 0.06 0.00 -1.00 0.00 0.00 57.85 55.50 2kha n ARG 69 Cb 0.39 -1.78 0.14 0.00 -1.05 0.00 0.00 32.46 30.16 2kha n ARG 69 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2kha n ASN 70 N 0.15 1.49 -4.20 2.89 4.13 -1.26 -4.57 115.26 113.88 2kha n ASN 70 Ca 0.17 -3.20 -0.35 0.00 1.68 0.00 0.00 54.58 52.87 2kha n ASN 70 Cb 0.79 -0.44 -0.14 0.00 -1.54 0.00 0.00 39.78 38.45 2kha n ASN 70 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kha s ALA 71 N -2.13 2.84 -1.15 5.41 0.00 -1.25 -5.02 121.76 120.46 2kha s ALA 71 Ca 0.35 -1.71 -0.20 0.00 0.00 0.00 0.00 51.96 50.40 2kha s ALA 71 Cb 0.35 -1.97 -0.05 0.00 0.00 0.00 0.00 23.12 21.46 2kha s ALA 71 CO -0.09 -1.21 1.93 1.17 0.00 0.00 0.00 175.76 177.56 2kha n LYS 72 N 4.67 2.16 -2.99 0.00 3.00 -1.26 -3.54 118.16 120.19 2kha n LYS 72 Ca -0.14 -2.54 -0.31 0.00 -0.00 0.00 0.00 58.31 55.33 2kha n LYS 72 Cb 0.44 -3.41 -0.04 0.00 0.00 0.00 0.00 35.03 32.02 2kha n LYS 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2kha s LEU 73 N 5.58 3.92 0.01 3.14 1.43 -1.26 -5.09 118.68 126.41 2kha s LEU 73 Ca 0.59 1.13 0.03 0.00 -1.03 0.00 0.00 54.13 54.84 2kha s LEU 73 Cb 0.06 -3.98 -0.01 0.00 0.03 0.00 0.00 46.19 42.30 2kha s LEU 73 CO 0.08 -0.32 -0.09 -0.75 0.23 0.00 0.00 176.35 175.51 2kha s LYS 74 N -3.55 0.64 0.18 1.70 2.47 -1.26 -4.94 119.74 114.99 2kha s LYS 74 Ca 0.51 -0.44 -0.33 0.00 -1.56 0.00 0.00 55.97 54.15 2kha s LYS 74 Cb -0.10 -0.59 -0.14 0.00 -1.46 0.00 0.00 37.83 35.54 2kha s LYS 74 CO 0.27 0.15 1.47 -0.11 0.16 0.00 0.00 175.35 177.29 2kha n LEU 75 N 2.45 2.89 0.00 5.43 0.00 -1.25 -1.94 117.00 124.57 2kha n LEU 75 Ca -0.16 1.11 0.00 0.00 0.00 0.00 0.00 56.01 56.96 2kha n LEU 75 Cb 0.56 -1.40 0.00 0.00 0.00 0.00 0.00 43.42 42.59 2kha n LEU 75 CO 0.24 -0.48 0.00 0.61 0.00 0.00 0.00 177.39 177.76 2kha n GLY 76 N 2.79 2.13 3.67 -3.96 0.00 -1.25 -4.83 105.19 103.73 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 -0.06 2.93 0.24 1.61 -1.08 -0.82 -4.75 116.67 114.75 2kha s ASP 77 Ca 0.00 1.98 0.11 0.00 -0.52 0.00 0.00 52.55 54.12 2kha s ASP 77 Cb 0.00 -2.49 -0.05 0.00 -1.46 0.00 0.00 42.92 38.92 2kha s ASP 77 CO 0.00 -3.06 -0.20 -0.75 0.52 0.00 0.00 175.17 171.68 2kha s LYS 78 N -4.69 1.58 0.05 4.34 2.20 -1.26 -1.72 119.74 120.24 2kha s LYS 78 Ca 0.66 -1.67 0.08 0.00 -0.36 0.00 0.00 55.97 54.67 2kha s LYS 78 Cb -0.22 -1.68 -0.03 0.00 -1.51 0.00 0.00 37.83 34.39 2kha s LYS 78 CO 0.59 0.33 -0.19 0.42 -0.36 0.00 0.00 175.35 176.13 2kha s ILE 79 N -2.34 2.70 -0.08 5.43 1.09 0.31 -1.51 121.20 126.79 2kha s ILE 79 Ca 0.26 -1.25 -0.04 0.00 -1.10 0.00 0.00 60.65 58.53 2kha s ILE 79 Cb -0.05 -2.14 0.04 0.00 -1.06 0.00 0.00 42.46 39.26 2kha s ILE 79 CO 0.12 0.32 0.18 -0.31 -0.10 0.00 0.00 174.94 175.15 2kha s TYR 80 N -0.93 -0.22 0.16 3.97 2.02 -0.97 -1.92 117.35 119.47 2kha s TYR 80 Ca 0.14 0.62 -0.05 0.00 -0.37 0.00 0.00 57.07 57.41 2kha s TYR 80 Cb -0.10 -0.11 0.02 0.00 -0.40 0.00 0.00 41.96 41.37 2kha s TYR 80 CO 0.05 -0.22 0.31 1.97 -1.57 0.00 0.00 175.55 176.08 2kha n PHE 81 N 4.63 -1.42 -3.66 2.71 1.16 -0.71 -0.24 117.46 119.93 2kha n PHE 81 Ca -0.18 -0.84 -0.08 0.00 -1.87 0.00 0.00 57.45 54.48 2kha n PHE 81 Cb 0.51 0.36 -0.08 0.00 -1.61 0.00 0.00 39.48 38.66 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 -5.66 -0.93 0.13 2.97 1.48 0.15 -1.83 118.94 115.25 2kha s TRP 82 Ca 0.08 1.84 0.05 0.00 -1.06 0.00 0.00 56.10 57.01 2kha s TRP 82 Cb -0.02 0.51 -0.04 0.00 -1.16 0.00 0.00 33.47 32.77 2kha s TRP 82 CO 0.06 -0.48 0.08 0.95 -4.06 0.00 0.00 176.95 173.50 2kha s THR 83 N 1.76 4.31 -0.10 0.66 -4.23 -1.08 -2.21 115.64 114.74 2kha s THR 83 Ca -0.09 -1.03 -0.02 0.00 -1.18 0.00 0.00 61.69 59.38 2kha s THR 83 Cb -0.07 -3.13 0.04 0.00 1.34 0.00 0.00 72.50 70.67 2kha s THR 83 CO -0.17 -0.00 0.02 -0.47 -0.54 0.00 0.00 174.62 173.45 2kha s TYR 84 N -1.57 0.67 0.31 3.99 5.04 0.16 -0.53 117.35 125.42 2kha s TYR 84 Ca 0.29 -0.29 0.07 0.00 -2.44 0.00 0.00 57.07 54.70 2kha s TYR 84 Cb -0.11 -0.82 -0.02 0.00 0.35 0.00 0.00 41.96 41.36 2kha s TYR 84 CO 0.21 -0.39 0.33 0.54 -1.34 0.00 0.00 175.55 174.90 2kha s VAL 85 N 1.97 3.99 -0.19 3.14 0.11 0.09 0.16 120.40 129.67 2kha s VAL 85 Ca 0.04 -1.25 -0.04 0.00 -2.93 0.00 0.00 61.98 57.80 2kha s VAL 85 Cb -0.13 -3.34 0.06 0.00 -1.53 0.00 0.00 36.38 31.44 2kha s VAL 85 CO -0.06 -0.21 0.07 -0.63 -3.33 0.00 0.00 175.10 170.93 2kha s ILE 86 N -2.21 0.23 -0.99 7.04 -1.09 0.24 -2.03 121.20 122.40 2kha s ILE 86 Ca 0.40 -0.42 -0.02 0.00 -2.23 0.00 0.00 60.65 58.39 2kha s ILE 86 Cb -0.07 -0.84 0.30 0.00 -1.58 0.00 0.00 42.46 40.27 2kha s ILE 86 CO 0.28 -0.28 1.40 1.17 -1.23 0.00 0.00 174.94 176.28 2kha n LYS 87 N 5.16 4.28 -2.87 2.79 0.00 -0.91 0.35 118.16 126.95 2kha n LYS 87 Ca -0.08 -4.61 -0.06 0.00 0.00 0.00 0.00 58.31 53.57 2kha n LYS 87 Cb 0.48 -2.46 0.03 0.00 0.00 0.00 0.00 35.03 33.08 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 0.98 -6.42 -1.08 3.14 -0.08 -1.26 -3.46 116.55 108.37 2kha n ASP 88 Ca 0.30 -0.30 -0.10 0.00 -1.51 0.00 0.00 54.79 53.18 2kha n ASP 88 Cb 0.33 -4.53 -0.02 0.00 2.34 0.00 0.00 41.12 39.25 2kha n ASP 88 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kha n GLY 89 N -1.48 0.31 2.39 0.27 0.00 -1.26 -4.96 105.19 100.47 2kha n GLY 89 Ca -0.03 -0.48 -0.21 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 -1.42 -0.84 -4.93 0.99 4.77 -1.22 -5.13 117.00 109.22 2kha n LEU 90 Ca -0.12 -4.22 -0.26 0.00 -0.03 0.00 0.00 56.01 51.39 2kha n LEU 90 Cb 0.52 0.64 0.01 0.00 -2.33 0.00 0.00 43.42 42.26 2kha n LEU 90 CO 0.15 1.97 0.38 -0.83 -1.33 0.00 0.00 177.39 177.73 2kha s GLY 91 N -0.56 1.51 -0.05 -0.72 0.00 -1.25 -2.14 107.32 104.12 2kha s GLY 91 Ca 0.33 -0.74 -0.18 0.00 0.00 0.00 0.00 44.72 44.13 2kha s GLY 91 CO -0.15 -0.56 0.41 -0.19 0.00 0.00 0.00 173.10 172.60 2kha s TYR 92 N -2.69 -0.34 -0.00 1.90 1.51 -0.86 -4.95 117.35 111.92 2kha s TYR 92 Ca 0.48 0.63 0.06 0.00 -1.01 0.00 0.00 57.07 57.23 2kha s TYR 92 Cb -0.10 0.17 -0.02 0.00 -0.11 0.00 0.00 41.96 41.90 2kha s TYR 92 CO 0.42 -0.39 -0.18 -0.98 -1.11 0.00 0.00 175.55 173.30 2kha s ARG 93 N -0.95 1.42 -1.12 -0.62 1.70 -1.25 -0.73 118.95 117.41 2kha s ARG 93 Ca -0.10 -0.71 -0.08 0.00 -0.47 0.00 0.00 55.73 54.38 2kha s ARG 93 Cb -0.04 -1.41 0.28 0.00 -0.57 0.00 0.00 34.95 33.22 2kha s ARG 93 CO 0.04 0.38 1.28 0.94 -1.08 0.00 0.00 175.30 176.86 2kha n GLN 94 N 2.45 3.86 -2.13 3.89 7.27 0.31 -4.86 117.38 128.17 2kha n GLN 94 Ca -0.15 -4.44 -0.28 0.00 0.07 0.00 0.00 57.00 52.19 2kha n GLN 94 Cb 0.54 -2.57 0.18 0.00 2.41 0.00 0.00 30.24 30.80 2kha n GLN 94 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 2kha s ASP 95 N 0.32 3.20 -1.78 1.69 1.47 -1.26 -2.64 116.67 117.68 2kha s ASP 95 Ca 0.32 -0.02 0.00 0.00 1.18 0.00 0.00 52.55 54.02 2kha s ASP 95 Cb -0.04 -0.02 0.00 0.00 -0.34 0.00 0.00 42.92 42.52 2kha s ASP 95 CO -0.01 -2.65 0.00 -3.20 0.68 0.00 0.00 175.17 169.99 2kha n ASN 96 N -3.59 -5.34 -4.89 2.11 5.15 -1.16 -4.91 115.26 102.63 2kha n ASN 96 Ca 0.17 0.42 -0.30 0.00 -0.60 0.00 0.00 54.58 54.27 2kha n ASN 96 Cb 0.60 -4.46 0.03 0.00 -0.53 0.00 0.00 39.78 35.42 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 -2.57 1.62 0.10 8.20 0.00 -0.76 -4.92 107.32 109.00 2kha s GLY 97 Ca 0.00 -0.36 -0.18 0.00 0.00 0.00 0.00 44.72 44.18 2kha s GLY 97 CO 0.00 -0.04 0.43 -1.83 0.00 0.00 0.00 173.10 171.66 2kha s GLU 98 N -5.21 1.05 0.17 2.90 -1.05 -1.26 -1.73 118.70 113.57 2kha s GLU 98 Ca 0.56 -0.57 -0.09 0.00 -0.15 0.00 0.00 54.97 54.72 2kha s GLU 98 Cb -0.11 0.47 -0.01 0.00 -0.44 0.00 0.00 34.13 34.04 2kha s GLU 98 CO 0.51 -0.40 0.29 -0.46 0.95 0.00 0.00 175.26 176.15 2kha s TRP 99 N -3.39 0.41 0.21 4.83 -0.00 -0.81 -4.94 118.94 115.27 2kha s TRP 99 Ca 0.00 -0.77 0.07 0.00 -0.00 0.00 0.00 56.10 55.40 2kha s TRP 99 Cb 0.01 -0.05 -0.04 0.00 -0.00 0.00 0.00 33.47 33.39 2kha s TRP 99 CO -0.09 -0.74 0.11 -0.08 -0.00 0.00 0.00 176.95 176.16 2kha s THR 100 N -3.98 4.18 -0.03 5.86 -1.32 -1.26 0.11 115.64 119.20 2kha s THR 100 Ca 0.18 -1.38 0.00 0.00 -1.21 0.00 0.00 61.69 59.28 2kha s THR 100 Cb 0.03 -3.19 0.00 0.00 -1.51 0.00 0.00 72.50 67.83 2kha s THR 100 CO 0.01 -0.23 0.30 0.52 -2.21 0.00 0.00 174.62 173.01 2kha n VAL 101 N -0.69 0.00 0.24 5.08 0.31 -0.70 -4.65 118.33 117.92 2kha n VAL 101 Ca -0.08 -0.50 0.14 0.00 -0.01 0.00 0.00 64.34 63.89 2kha n VAL 101 Cb 0.57 1.00 0.69 0.00 -0.91 0.00 0.00 33.84 35.19 2kha n VAL 101 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2kha h THR 102 N 0.04 0.00 -2.29 2.52 2.02 -1.84 -3.32 112.91 110.04 2kha h THR 102 Ca 0.00 -0.06 -0.54 0.00 0.77 0.00 0.00 66.41 66.58 2kha h THR 102 Cb 0.01 0.70 -0.07 0.00 -1.74 0.00 0.00 68.15 67.05 2kha h THR 102 CO 0.00 0.00 -0.58 -1.61 0.37 0.00 0.00 175.52 173.70 2kha s GLU 103 N -3.63 2.64 -0.03 6.66 8.01 -1.26 -4.69 118.70 126.41 2kha s GLU 103 Ca -0.02 -1.18 0.00 0.00 0.01 0.00 0.00 54.97 53.79 2kha s GLU 103 Cb 0.08 -2.40 0.03 0.00 -4.31 0.00 0.00 34.13 27.53 2kha s GLU 103 CO 0.28 0.40 0.00 -0.06 0.01 0.00 0.00 175.26 175.90 2kha s PHE 104 N -2.14 0.27 0.62 1.61 0.08 -1.26 -4.40 117.98 112.76 2kha s PHE 104 Ca 0.32 0.02 0.08 0.00 0.12 0.00 0.00 56.93 57.47 2kha s PHE 104 Cb -0.08 -0.38 0.10 0.00 -0.57 0.00 0.00 43.02 42.10 2kha s PHE 104 CO 0.22 -0.12 0.85 0.14 -0.10 0.00 0.00 175.22 176.21 2kha s VAL 105 N 1.02 2.04 0.26 -0.44 -7.23 0.40 -2.37 120.40 114.07 2kha s VAL 105 Ca -0.10 -0.93 -0.06 0.00 -1.81 0.00 0.00 61.98 59.08 2kha s VAL 105 Cb -0.13 -2.11 -0.06 0.00 0.56 0.00 0.00 36.38 34.64 2kha s VAL 105 CO -0.02 0.00 0.53 0.21 -0.31 0.00 0.00 175.10 175.51 2kha s ASN 106 N -4.72 6.49 0.44 4.85 2.47 0.63 -3.65 114.94 121.45 2kha s ASN 106 Ca 0.64 0.75 0.25 0.00 0.42 0.00 0.00 52.86 54.91 2kha s ASN 106 Cb -0.05 -2.16 1.36 0.00 -1.45 0.00 0.00 41.25 38.95 2kha s ASN 106 CO 0.41 -0.13 1.74 -0.33 -3.72 0.00 0.00 177.10 175.06 2kha h GLU 107 N 2.03 0.00 -0.02 0.43 5.08 -1.86 0.56 114.58 120.81 2kha h GLU 107 Ca -0.47 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.75 2kha h GLU 107 Cb 1.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2kha h GLU 107 CO 0.68 0.00 -0.62 0.22 -1.00 0.00 0.00 179.01 178.29 2kha h ASP 108 N 0.00 0.07 0.00 1.42 3.58 -1.99 -3.47 116.42 116.03 2kha h ASP 108 Ca 0.00 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2kha h ASP 108 Cb 0.25 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.28 2kha h ASP 108 CO 0.00 0.67 0.00 0.61 -2.88 0.00 0.00 179.24 177.64 2kha n GLY 109 N 0.26 1.81 3.07 -0.78 0.00 0.20 -5.14 105.19 104.61 2kha n GLY 109 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 0.38 0.01 2.61 -4.23 -1.23 -4.88 115.64 106.30 2kha s THR 110 Ca 0.00 -1.43 -0.32 0.00 -1.18 0.00 0.00 61.69 58.76 2kha s THR 110 Cb 0.00 -1.01 -0.11 0.00 1.34 0.00 0.00 72.50 72.72 2kha s THR 110 CO 0.00 -0.69 1.89 -2.65 -0.54 0.00 0.00 174.62 172.64 2kha n PRO 111 N 0.79 2.55 0.00 3.99 -0.02 -1.26 0.23 135.00 141.28 2kha n PRO 111 Ca -0.18 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2kha n PRO 111 Cb 0.58 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 2kha n PRO 111 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kha n ALA 112 N 6.63 0.00 -3.86 3.55 0.00 -1.00 -4.76 120.51 121.07 2kha n ALA 112 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.32 2kha n ALA 112 Cb 0.35 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.68 2kha n ALA 112 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kha s ASP 113 N 0.00 4.72 -0.78 0.00 2.15 -1.00 -4.11 116.67 117.66 2kha s ASP 113 Ca 0.00 -2.90 -0.26 0.00 0.43 0.00 0.00 52.55 49.82 2kha s ASP 113 Cb 0.00 -1.73 -0.12 0.00 -0.30 0.00 0.00 42.92 40.77 2kha s ASP 113 CO 0.00 -0.30 2.36 0.28 -0.17 0.00 0.00 175.17 177.35 2kha s THR 114 N -0.13 3.05 0.00 1.71 -1.32 -1.26 -4.76 115.64 112.93 2kha s THR 114 Ca 0.17 -0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.61 2kha s THR 114 Cb -0.23 -3.12 0.00 0.00 -1.51 0.00 0.00 72.50 67.64 2kha s THR 114 CO -0.02 -0.11 0.00 -0.24 -2.21 0.00 0.00 174.62 172.04 2kha n SER 115 N 18.05 -3.49 -3.29 8.08 2.88 -1.26 -4.47 113.62 130.12 2kha n SER 115 Ca 0.45 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.74 2kha n SER 115 Cb 0.44 -0.01 -0.07 0.00 -0.75 0.00 0.00 64.21 63.83 2kha n SER 115 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2kha n LEU 116 N 0.00 2.91 -3.77 2.46 0.00 -1.26 -5.05 117.00 112.29 2kha n LEU 116 Ca 0.00 -5.29 -0.13 0.00 0.00 0.00 0.00 56.01 50.59 2kha n LEU 116 Cb 0.00 -0.28 -0.14 0.00 0.00 0.00 0.00 43.42 43.00 2kha n LEU 116 CO 0.00 2.12 -0.23 -1.61 0.00 0.00 0.00 177.39 177.67 2kha s GLU 117 N -2.34 0.10 0.00 1.96 2.02 -1.26 -5.30 118.70 113.89 2kha s GLU 117 Ca 0.40 0.31 0.21 0.00 0.02 0.00 0.00 54.97 55.92 2kha s GLU 117 Cb 0.18 -0.12 1.28 0.00 0.10 0.00 0.00 34.13 35.58 2kha s GLU 117 CO -0.06 -0.13 1.66 -0.35 0.02 0.00 0.00 175.26 176.41