#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 2.43 0.26 3.69 5.04 -1.26 -5.11 117.35 122.40 2kha s TYR 7 Ca 0.00 0.09 0.08 0.00 -2.44 0.00 0.00 57.07 54.80 2kha s TYR 7 Cb 0.00 -3.07 -0.04 0.00 0.35 0.00 0.00 41.96 39.20 2kha s TYR 7 CO 0.00 -1.42 0.11 0.08 -1.34 0.00 0.00 175.55 172.99 2kha s VAL 8 N -3.11 4.02 0.15 3.14 1.01 -1.26 -4.96 120.40 119.38 2kha s VAL 8 Ca 0.62 -1.62 -0.31 0.00 0.00 0.00 0.00 61.98 60.67 2kha s VAL 8 Cb -0.09 -3.17 -0.09 0.00 0.00 0.00 0.00 36.38 33.04 2kha s VAL 8 CO 0.43 -0.36 1.47 0.54 0.00 0.00 0.00 175.10 177.18 2kha s VAL 9 N -2.22 2.98 0.78 2.92 0.11 -1.26 -5.01 120.40 118.71 2kha s VAL 9 Ca 0.32 0.71 -0.13 0.00 -2.93 0.00 0.00 61.98 59.95 2kha s VAL 9 Cb -0.07 -3.45 0.20 0.00 -1.53 0.00 0.00 36.38 31.53 2kha s VAL 9 CO 0.23 0.06 0.47 -2.65 -3.33 0.00 0.00 175.10 169.87 2kha n PRO 10 N 3.84 -3.52 -4.15 1.54 -0.02 -1.26 -4.82 135.00 126.61 2kha n PRO 10 Ca 0.12 -0.78 -0.35 0.00 -2.02 0.00 0.00 63.50 60.47 2kha n PRO 10 Cb 0.41 -1.01 -0.12 0.00 -0.02 0.00 0.00 33.50 32.75 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 -2.60 4.80 -0.58 2.55 0.15 -1.26 -4.72 113.70 112.04 2kha s SER 11 Ca 0.36 -0.19 -0.26 0.00 0.70 0.00 0.00 55.95 56.55 2kha s SER 11 Cb -0.06 -1.81 0.03 0.00 -1.71 0.00 0.00 66.02 62.47 2kha s SER 11 CO 0.30 0.09 1.10 0.00 1.20 0.00 0.00 173.24 175.92 2kha s ALA 12 N 0.85 3.05 -0.43 5.45 0.00 -1.25 -3.98 121.76 125.45 2kha s ALA 12 Ca 0.00 -1.02 -0.18 0.00 0.00 0.00 0.00 51.96 50.76 2kha s ALA 12 Cb -0.14 -3.93 0.02 0.00 0.00 0.00 0.00 23.12 19.07 2kha s ALA 12 CO 0.02 -2.58 0.48 0.15 0.00 0.00 0.00 175.76 173.83 2kha s LYS 13 N 4.58 3.12 0.20 0.00 1.02 0.29 -4.85 119.74 124.11 2kha s LYS 13 Ca 0.37 -0.71 0.06 0.00 0.02 0.00 0.00 55.97 55.71 2kha s LYS 13 Cb -0.10 -3.97 -0.04 0.00 -0.52 0.00 0.00 37.83 33.21 2kha s LYS 13 CO 0.22 -0.90 0.16 -0.51 -0.92 0.00 0.00 175.35 173.41 2kha s LEU 14 N 2.26 3.81 -0.01 3.17 1.02 -1.26 -0.47 118.68 127.20 2kha s LEU 14 Ca 0.14 -0.18 -0.01 0.00 0.02 0.00 0.00 54.13 54.10 2kha s LEU 14 Cb -0.17 -2.38 -0.00 0.00 0.02 0.00 0.00 46.19 43.66 2kha s LEU 14 CO 0.14 0.02 0.02 -1.61 0.02 0.00 0.00 176.35 174.95 2kha s GLU 15 N -3.41 0.07 -0.19 1.70 2.02 0.21 -4.95 118.70 114.15 2kha s GLU 15 Ca 0.32 -0.05 -0.24 0.00 0.02 0.00 0.00 54.97 55.02 2kha s GLU 15 Cb -0.09 0.03 -0.02 0.00 0.10 0.00 0.00 34.13 34.15 2kha s GLU 15 CO 0.24 -0.01 0.76 0.00 0.02 0.00 0.00 175.26 176.27 2kha s ALA 16 N -0.20 3.55 -0.38 5.21 0.00 -1.26 -1.90 121.76 126.79 2kha s ALA 16 Ca -0.02 -0.11 -0.11 0.00 0.00 0.00 0.00 51.96 51.72 2kha s ALA 16 Cb -0.02 -3.16 0.03 0.00 0.00 0.00 0.00 23.12 19.98 2kha s ALA 16 CO -0.00 -0.68 0.21 0.42 0.00 0.00 0.00 175.76 175.71 2kha s ILE 17 N 2.22 4.54 0.45 0.00 -1.09 -0.11 0.16 121.20 127.36 2kha s ILE 17 Ca 0.34 -0.91 -0.20 0.00 -2.23 0.00 0.00 60.65 57.65 2kha s ILE 17 Cb -0.16 -3.55 -0.10 0.00 -1.58 0.00 0.00 42.46 37.07 2kha s ILE 17 CO 0.11 -0.26 0.97 -0.72 -1.23 0.00 0.00 174.94 173.81 2kha s TYR 18 N 1.54 3.26 -2.07 3.97 1.13 -1.26 0.14 117.35 124.07 2kha s TYR 18 Ca 0.02 1.59 0.29 0.00 -1.41 0.00 0.00 57.07 57.56 2kha s TYR 18 Cb -0.19 -2.89 1.33 0.00 -1.10 0.00 0.00 41.96 39.11 2kha s TYR 18 CO 0.06 -0.28 1.91 -0.35 -2.51 0.00 0.00 175.55 174.38 2kha n PRO 19 N -0.82 1.15 -3.11 -3.49 -0.05 -1.26 -4.80 135.00 122.62 2kha n PRO 19 Ca 0.07 -0.45 0.04 0.00 -0.05 0.00 0.00 63.50 63.12 2kha n PRO 19 Cb 0.54 -1.49 -0.00 0.00 -0.05 0.00 0.00 33.50 32.50 2kha n PRO 19 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 175.50 174.47 2kha s ARG 20 N -2.16 0.31 -0.09 0.54 3.03 -0.61 -4.79 118.95 115.18 2kha s ARG 20 Ca 0.38 0.20 -0.32 0.00 2.03 0.00 0.00 55.73 58.02 2kha s ARG 20 Cb 0.21 0.11 0.12 0.00 -1.03 0.00 0.00 34.95 34.37 2kha s ARG 20 CO 0.40 -0.55 1.21 0.20 -1.13 0.00 0.00 175.30 175.42 2kha s GLY 21 N 2.73 -0.35 0.01 3.88 0.00 0.38 -4.16 107.32 109.80 2kha s GLY 21 Ca 0.20 1.09 0.01 0.00 0.00 0.00 0.00 44.72 46.03 2kha s GLY 21 CO -0.22 0.32 -0.03 -2.27 0.00 0.00 0.00 173.10 170.89 2kha s LEU 22 N -2.58 2.11 -0.31 0.66 2.96 0.34 -0.94 118.68 120.93 2kha s LEU 22 Ca 0.11 -0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 53.74 2kha s LEU 22 Cb 0.01 -0.06 0.10 0.00 0.50 0.00 0.00 46.19 46.74 2kha s LEU 22 CO -0.04 -0.10 0.12 -0.13 -1.32 0.00 0.00 176.35 174.87 2kha s ARG 23 N -0.71 0.50 0.22 1.98 1.81 -0.80 -0.08 118.95 121.86 2kha s ARG 23 Ca -0.06 -0.87 0.06 0.00 -1.72 0.00 0.00 55.73 53.15 2kha s ARG 23 Cb -0.05 -1.62 -0.04 0.00 -0.45 0.00 0.00 34.95 32.79 2kha s ARG 23 CO -0.00 -1.01 0.17 0.08 -0.68 0.00 0.00 175.30 173.85 2kha s VAL 24 N 1.78 4.44 -0.04 3.52 1.01 -0.77 -0.62 120.40 129.72 2kha s VAL 24 Ca 0.10 -1.29 -0.23 0.00 0.00 0.00 0.00 61.98 60.55 2kha s VAL 24 Cb -0.17 -3.35 0.05 0.00 0.00 0.00 0.00 36.38 32.91 2kha s VAL 24 CO -0.29 -0.26 0.51 -0.44 0.00 0.00 0.00 175.10 174.62 2kha s SER 25 N -3.56 -0.44 -0.08 3.32 0.01 0.38 -1.58 113.70 111.75 2kha s SER 25 Ca 0.32 0.44 -0.04 0.00 1.31 0.00 0.00 55.95 57.98 2kha s SER 25 Cb -0.09 0.45 0.04 0.00 0.21 0.00 0.00 66.02 66.64 2kha s SER 25 CO 0.24 -0.53 0.18 0.27 0.41 0.00 0.00 173.24 173.82 2kha s ILE 26 N -1.22 -0.13 -0.69 1.44 -4.36 -1.02 0.10 121.20 115.33 2kha s ILE 26 Ca -0.12 0.22 -0.25 0.00 -0.26 0.00 0.00 60.65 60.24 2kha s ILE 26 Cb -0.02 -0.30 -0.13 0.00 1.25 0.00 0.00 42.46 43.25 2kha s ILE 26 CO 0.07 0.09 2.42 -0.81 0.24 0.00 0.00 174.94 176.96 2kha n PRO 27 N 4.56 0.69 -0.67 0.37 -0.04 -1.26 -2.20 135.00 136.46 2kha n PRO 27 Ca -0.20 -0.35 -0.31 0.00 -0.04 0.00 0.00 63.50 62.60 2kha n PRO 27 Cb 0.51 -3.24 0.17 0.00 -0.04 0.00 0.00 33.50 30.90 2kha n PRO 27 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kha n ASP 28 N 16.01 -0.06 -2.72 3.54 2.03 -0.37 -4.58 116.55 130.40 2kha n ASP 28 Ca 0.45 0.37 -0.05 0.00 0.52 0.00 0.00 54.79 56.08 2kha n ASP 28 Cb 0.43 -1.43 0.06 0.00 -0.72 0.00 0.00 41.12 39.46 2kha n ASP 28 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kha n ASP 29 N -4.00 0.55 -2.26 1.67 2.03 -1.26 -4.82 116.55 108.46 2kha n ASP 29 Ca 0.11 -2.40 -0.14 0.00 0.52 0.00 0.00 54.79 52.88 2kha n ASP 29 Cb 0.52 -0.10 0.04 0.00 -0.72 0.00 0.00 41.12 40.86 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 -0.50 0.01 0.01 0.27 0.00 -1.26 -5.03 105.19 98.69 2kha n GLY 30 Ca 0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.04 -3.82 0.00 1.61 3.72 -1.26 -4.80 117.46 108.88 2kha n PHE 31 Ca -0.02 -0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2kha n PHE 31 Cb 0.55 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.09 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 -3.00 2.55 -3.85 4.37 2.88 1.00 -4.89 113.62 112.68 2kha n SER 32 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 2kha n SER 32 Cb 0.00 0.27 -0.15 0.00 -0.75 0.00 0.00 64.21 63.59 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 -2.46 1.77 -0.36 2.46 2.96 -1.04 -4.46 118.68 117.55 2kha s LEU 33 Ca 0.00 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 2kha s LEU 33 Cb 0.00 -0.03 0.11 0.00 0.50 0.00 0.00 46.19 46.77 2kha s LEU 33 CO 0.00 -0.03 0.13 0.12 -1.32 0.00 0.00 176.35 175.25 2kha s PHE 34 N 0.26 2.43 -0.10 5.38 5.36 0.76 0.88 117.98 132.95 2kha s PHE 34 Ca -0.02 -2.33 -0.13 0.00 -0.96 0.00 0.00 56.93 53.49 2kha s PHE 34 Cb -0.03 -2.16 -0.05 0.00 -0.34 0.00 0.00 43.02 40.44 2kha s PHE 34 CO -0.01 -0.87 0.30 0.00 -1.46 0.00 0.00 175.22 173.18 2kha s ALA 35 N 1.01 3.69 -0.13 11.12 0.00 0.66 -0.78 121.76 137.34 2kha s ALA 35 Ca 0.12 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 51.69 2kha s ALA 35 Cb -0.20 -2.30 0.01 0.00 0.00 0.00 0.00 23.12 20.63 2kha s ALA 35 CO -0.13 0.34 -0.21 0.12 0.00 0.00 0.00 175.76 175.88 2kha s PHE 36 N -0.38 2.48 -0.13 0.00 2.19 -0.55 0.11 117.98 121.70 2kha s PHE 36 Ca 0.19 -1.20 0.01 0.00 0.33 0.00 0.00 56.93 56.26 2kha s PHE 36 Cb -0.14 -1.70 0.02 0.00 -1.31 0.00 0.00 43.02 39.88 2kha s PHE 36 CO 0.07 -0.55 -0.16 -1.01 1.83 0.00 0.00 175.22 175.39 2kha s HIS 37 N 0.78 2.20 -0.24 10.12 3.76 -0.62 -2.06 115.29 129.24 2kha s HIS 37 Ca -0.09 -1.13 -0.21 0.00 -0.15 0.00 0.00 55.06 53.48 2kha s HIS 37 Cb -0.16 -1.57 0.06 0.00 1.11 0.00 0.00 32.58 32.02 2kha s HIS 37 CO -0.00 -0.58 0.63 0.20 -0.85 0.00 0.00 174.74 174.13 2kha s GLY 38 N 1.13 -0.48 0.08 -2.22 0.00 -0.57 -0.17 107.32 105.09 2kha s GLY 38 Ca -0.02 1.80 0.06 0.00 0.00 0.00 0.00 44.72 46.55 2kha s GLY 38 CO -0.05 1.57 -0.08 1.25 0.00 0.00 0.00 173.10 175.79 2kha s LYS 39 N 0.42 2.30 -0.28 2.90 2.20 0.99 0.17 119.74 128.44 2kha s LYS 39 Ca -0.01 -0.92 -0.11 0.00 -0.36 0.00 0.00 55.97 54.57 2kha s LYS 39 Cb -0.04 -2.39 -0.05 0.00 -1.51 0.00 0.00 37.83 33.84 2kha s LYS 39 CO -0.00 0.54 0.19 -1.17 -0.36 0.00 0.00 175.35 174.54 2kha s LEU 40 N -2.01 4.02 -1.03 5.43 2.96 -1.26 -2.15 118.68 124.65 2kha s LEU 40 Ca 0.21 -0.01 -0.03 0.00 -0.22 0.00 0.00 54.13 54.08 2kha s LEU 40 Cb -0.11 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 2kha s LEU 40 CO 0.13 -0.05 0.88 -3.20 -1.32 0.00 0.00 176.35 172.79 2kha n ASN 41 N 5.04 -4.07 0.00 3.68 2.85 -0.49 -5.00 115.26 117.26 2kha n ASN 41 Ca -0.14 -0.61 0.00 0.00 -0.11 0.00 0.00 54.58 53.72 2kha n ASN 41 Cb 0.52 -4.76 0.00 0.00 1.24 0.00 0.00 39.78 36.78 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 -3.48 0.00 0.00 1.20 2.13 -1.26 -5.06 120.64 114.17 2kha n GLU 42 Ca -0.17 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.65 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 -0.78 -3.66 5.31 1.02 -1.26 -4.60 120.64 116.66 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 -0.11 0.00 -0.02 0.00 0.00 31.44 31.31 2kha n GLU 43 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2kha s MET 44 N -2.02 0.27 -1.19 3.49 -1.94 -1.26 -4.94 119.30 111.71 2kha s MET 44 Ca 0.00 0.93 -0.07 0.00 -1.71 0.00 0.00 55.69 54.84 2kha s MET 44 Cb 0.00 0.20 -0.04 0.00 2.01 0.00 0.00 34.83 37.00 2kha s MET 44 CO 0.00 -0.26 2.88 -0.40 -0.01 0.00 0.00 175.02 177.24 2kha n ASP 45 N 5.30 7.83 0.00 3.03 5.68 -1.26 -4.81 116.55 132.33 2kha n ASP 45 Ca -0.09 -2.78 0.00 0.00 -0.50 0.00 0.00 54.79 51.42 2kha n ASP 45 Cb 0.50 -1.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.03 2kha n ASP 45 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kha n GLY 46 N 2.63 0.37 2.59 6.12 0.00 -1.26 -4.88 105.19 110.76 2kha n GLY 46 Ca 0.66 -1.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 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 2.50 -4.89 0.99 4.77 -1.26 -4.92 117.00 114.18 2kha n LEU 47 Ca 0.00 -5.12 -0.29 0.00 -0.03 0.00 0.00 56.01 50.56 2kha n LEU 47 Cb 0.00 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 2kha n LEU 47 CO 0.00 1.91 0.36 -1.61 -1.33 0.00 0.00 177.39 176.72 2kha s GLU 48 N -1.59 3.71 0.58 3.23 2.02 -1.26 -4.95 118.70 120.44 2kha s GLU 48 Ca 0.32 0.28 0.29 0.00 0.02 0.00 0.00 54.97 55.89 2kha s GLU 48 Cb 0.06 -2.48 1.46 0.00 0.10 0.00 0.00 34.13 33.27 2kha s GLU 48 CO -0.11 0.03 1.88 0.00 0.02 0.00 0.00 175.26 177.08 2kha h ALA 49 N 1.29 2.31 -0.39 5.21 0.00 -1.99 -3.45 119.26 122.24 2kha h ALA 49 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2kha h ALA 49 Cb 1.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2kha h ALA 49 CO 0.64 -0.80 0.00 0.41 0.00 0.00 0.00 179.25 179.50 2kha n GLY 50 N -1.55 2.99 1.19 0.00 0.00 -1.26 -4.57 105.19 101.99 2kha n GLY 50 Ca 0.10 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.62 1.61 -0.00 0.45 -4.77 115.22 124.89 2kha n HIS 51 Ca 0.00 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.02 2kha n HIS 51 Cb 0.00 0.28 -0.07 0.00 -0.12 0.00 0.00 29.99 30.09 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 -0.63 1.21 -0.60 1.57 0.51 0.32 -4.73 118.94 116.58 2kha s TRP 52 Ca 0.00 1.82 0.03 0.00 -2.12 0.00 0.00 56.10 55.83 2kha s TRP 52 Cb 0.00 -3.51 0.15 0.00 -0.81 0.00 0.00 33.47 29.30 2kha s TRP 52 CO 0.00 -1.64 0.37 0.00 -0.51 0.00 0.00 176.95 175.18 2kha s ALA 53 N 14.16 3.53 -0.03 0.98 0.00 -1.21 -1.51 121.76 137.67 2kha s ALA 53 Ca 0.90 -3.44 0.01 0.00 0.00 0.00 0.00 51.96 49.43 2kha s ALA 53 Cb -0.12 -2.28 0.03 0.00 0.00 0.00 0.00 23.12 20.74 2kha s ALA 53 CO 0.08 -2.06 -0.01 0.50 0.00 0.00 0.00 175.76 174.26 2kha s ARG 54 N -0.59 0.48 -0.22 0.00 6.06 -0.87 -4.98 118.95 118.82 2kha s ARG 54 Ca 0.19 0.01 -0.11 0.00 -2.50 0.00 0.00 55.73 53.33 2kha s ARG 54 Cb -0.19 -0.61 -0.05 0.00 0.06 0.00 0.00 34.95 34.16 2kha s ARG 54 CO -0.05 -0.12 0.18 0.16 -2.50 0.00 0.00 175.30 172.97 2kha s ASP 55 N 0.99 6.18 -0.01 -2.12 -4.77 -1.26 -1.48 116.67 114.20 2kha s ASP 55 Ca -0.10 0.19 0.03 0.00 -3.30 0.00 0.00 52.55 49.38 2kha s ASP 55 Cb -0.14 -2.11 -0.03 0.00 -1.09 0.00 0.00 42.92 39.55 2kha s ASP 55 CO -0.01 0.09 -0.09 -0.63 0.70 0.00 0.00 175.17 175.22 2kha s ILE 56 N 0.85 3.46 -0.09 2.11 1.01 0.04 -4.96 121.20 123.63 2kha s ILE 56 Ca 0.09 -0.77 0.18 0.00 0.00 0.00 0.00 60.65 60.15 2kha s ILE 56 Cb -0.13 -2.46 0.39 0.00 0.01 0.00 0.00 42.46 40.26 2kha s ILE 56 CO 0.03 0.45 1.18 1.07 0.00 0.00 0.00 174.94 177.67 2kha n THR 57 N 1.78 1.01 -3.24 2.92 5.66 -1.26 -0.17 114.28 120.98 2kha n THR 57 Ca -0.16 -1.92 -0.03 0.00 -3.05 0.00 0.00 64.05 58.89 2kha n THR 57 Cb 0.52 0.39 -0.03 0.00 -1.55 0.00 0.00 70.33 69.66 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 -1.48 0.54 1.16 1.09 2.20 -1.26 -4.94 119.74 117.04 2kha s LYS 58 Ca 0.33 0.18 -0.15 0.00 -0.36 0.00 0.00 55.97 55.97 2kha s LYS 58 Cb 0.35 -0.07 0.23 0.00 -1.51 0.00 0.00 37.83 36.83 2kha s LYS 58 CO -0.11 -1.07 0.68 -2.30 -0.36 0.00 0.00 175.35 172.19 2kha n PRO 59 N 5.19 -2.19 -1.27 4.03 -0.02 -1.26 -4.76 135.00 134.71 2kha n PRO 59 Ca 0.04 -0.61 -0.24 0.00 -2.02 0.00 0.00 63.50 60.67 2kha n PRO 59 Cb 0.52 -2.01 0.13 0.00 -0.02 0.00 0.00 33.50 32.12 2kha n PRO 59 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2kha n LYS 60 N -4.00 2.47 -1.35 -0.52 3.00 0.44 -4.88 118.16 113.32 2kha n LYS 60 Ca 0.02 -3.29 0.00 0.00 -0.00 0.00 0.00 58.31 55.04 2kha n LYS 60 Cb 0.57 -2.15 0.00 0.00 0.00 0.00 0.00 35.03 33.44 2kha n LYS 60 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2kha n GLU 61 N -1.01 0.00 -0.34 1.64 4.07 -1.26 -4.37 120.64 119.37 2kha n GLU 61 Ca 0.53 0.45 0.00 0.00 -0.06 0.00 0.00 57.16 58.08 2kha n GLU 61 Cb 1.11 -0.98 0.00 0.00 -0.06 0.00 0.00 31.44 31.51 2kha n GLU 61 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kha n GLY 62 N -0.08 1.36 3.52 8.31 0.00 -1.26 -4.90 105.19 112.13 2kha n GLY 62 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.16 0.61 0.60 1.61 0.52 -1.26 -1.23 118.95 119.65 2kha s ARG 63 Ca 0.00 1.08 -0.13 0.00 -0.52 0.00 0.00 55.73 56.16 2kha s ARG 63 Cb 0.00 0.10 -0.04 0.00 0.52 0.00 0.00 34.95 35.53 2kha s ARG 63 CO 0.00 -0.15 1.03 -1.58 0.02 0.00 0.00 175.30 174.62 2kha s TRP 64 N 1.51 3.44 -0.17 -0.53 0.52 -0.93 0.17 118.94 122.95 2kha s TRP 64 Ca -0.09 1.38 -0.02 0.00 0.02 0.00 0.00 56.10 57.38 2kha s TRP 64 Cb -0.06 -2.79 0.05 0.00 -1.15 0.00 0.00 33.47 29.52 2kha s TRP 64 CO -0.17 -0.74 0.02 0.99 0.02 0.00 0.00 176.95 177.07 2kha s THR 65 N -2.96 0.55 -0.72 2.01 2.01 -1.26 -2.43 115.64 112.85 2kha s THR 65 Ca 0.57 -0.43 -0.01 0.00 0.31 0.00 0.00 61.69 62.14 2kha s THR 65 Cb -0.12 -0.95 0.18 0.00 0.01 0.00 0.00 72.50 71.62 2kha s THR 65 CO 0.47 -0.08 0.54 0.12 -0.69 0.00 0.00 174.62 174.98 2kha s PHE 66 N 1.86 3.57 0.09 4.92 5.36 -0.61 -4.95 117.98 128.22 2kha s PHE 66 Ca 0.00 -2.97 0.03 0.00 -0.96 0.00 0.00 56.93 53.03 2kha s PHE 66 Cb -0.16 -3.10 -0.04 0.00 -0.34 0.00 0.00 43.02 39.38 2kha s PHE 66 CO -0.07 -0.75 0.13 -0.98 -1.46 0.00 0.00 175.22 172.09 2kha s ARG 67 N -0.75 3.04 -0.14 10.12 3.03 -1.26 -1.84 118.95 131.16 2kha s ARG 67 Ca 0.22 -0.66 -0.03 0.00 2.03 0.00 0.00 55.73 57.28 2kha s ARG 67 Cb -0.14 -2.80 0.05 0.00 -1.03 0.00 0.00 34.95 31.03 2kha s ARG 67 CO -0.08 0.56 0.06 -0.51 -1.13 0.00 0.00 175.30 174.20 2kha s ASP 68 N -2.59 2.15 -0.13 -2.89 1.11 0.88 -4.92 116.67 110.29 2kha s ASP 68 Ca 0.31 -0.46 0.05 0.00 0.18 0.00 0.00 52.55 52.63 2kha s ASP 68 Cb -0.12 -0.33 0.36 0.00 1.07 0.00 0.00 42.92 43.90 2kha s ASP 68 CO 0.24 -0.30 1.16 0.54 1.18 0.00 0.00 175.17 177.99 2kha n ARG 69 N 5.21 2.51 -1.55 8.23 3.00 -1.26 0.13 116.66 132.93 2kha n ARG 69 Ca -0.07 -1.43 0.02 0.00 -0.01 0.00 0.00 57.85 56.36 2kha n ARG 69 Cb 0.49 -1.78 0.01 0.00 0.00 0.00 0.00 32.46 31.18 2kha n ARG 69 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2kha n ASN 70 N 0.16 0.65 -4.71 0.55 3.02 -1.26 -4.73 115.26 108.94 2kha n ASN 70 Ca 0.16 -2.01 -0.36 0.00 -0.03 0.00 0.00 54.58 52.35 2kha n ASN 70 Cb 0.77 -0.19 -0.08 0.00 -0.61 0.00 0.00 39.78 39.67 2kha n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kha s ALA 71 N -0.31 3.64 -0.83 5.41 0.00 -1.25 -5.01 121.76 123.41 2kha s ALA 71 Ca 0.27 -0.65 -0.25 0.00 0.00 0.00 0.00 51.96 51.33 2kha s ALA 71 Cb 0.32 -2.29 0.03 0.00 0.00 0.00 0.00 23.12 21.17 2kha s ALA 71 CO -0.13 0.04 1.43 0.21 0.00 0.00 0.00 175.76 177.31 2kha s LYS 72 N 0.58 3.23 0.14 0.00 2.20 -1.26 -3.64 119.74 121.01 2kha s LYS 72 Ca 0.11 -0.46 0.08 0.00 -0.36 0.00 0.00 55.97 55.34 2kha s LYS 72 Cb -0.12 -4.64 -0.04 0.00 -1.51 0.00 0.00 37.83 31.52 2kha s LYS 72 CO 0.02 -2.29 -0.07 -0.51 -0.36 0.00 0.00 175.35 172.13 2kha s LEU 73 N 6.04 3.11 0.02 5.43 1.43 -1.26 -5.08 118.68 128.36 2kha s LEU 73 Ca 0.43 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 53.06 2kha s LEU 73 Cb -0.06 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 2kha s LEU 73 CO 0.06 0.13 0.04 -0.54 0.23 0.00 0.00 176.35 176.28 2kha s LYS 74 N -2.58 0.41 0.20 1.70 1.02 -1.26 -4.91 119.74 114.31 2kha s LYS 74 Ca 0.24 -0.56 -0.31 0.00 0.02 0.00 0.00 55.97 55.36 2kha s LYS 74 Cb -0.10 0.16 -0.11 0.00 -0.52 0.00 0.00 37.83 37.26 2kha s LYS 74 CO 0.16 -0.08 1.62 -1.17 -0.92 0.00 0.00 175.35 174.95 2kha s LEU 75 N -1.52 4.37 0.00 3.17 1.98 -1.25 -2.06 118.68 123.36 2kha s LEU 75 Ca -0.14 2.75 0.00 0.00 -2.89 0.00 0.00 54.13 53.85 2kha s LEU 75 Cb -0.08 -3.60 0.00 0.00 0.66 0.00 0.00 46.19 43.17 2kha s LEU 75 CO -0.00 -0.88 0.00 0.61 -1.89 0.00 0.00 176.35 174.18 2kha n GLY 76 N 3.59 3.12 3.62 7.98 0.00 -1.15 -4.92 105.19 117.43 2kha n GLY 76 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 2kha n GLY 76 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kha n ASP 77 N 0.12 0.52 -4.59 1.61 -0.08 -0.88 -4.75 116.55 108.50 2kha n ASP 77 Ca 0.00 0.68 -0.28 0.00 -1.51 0.00 0.00 54.79 53.68 2kha n ASP 77 Cb 0.00 -1.41 -0.09 0.00 2.34 0.00 0.00 41.12 41.96 2kha n ASP 77 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2kha s LYS 78 N -3.30 2.16 0.05 -0.67 2.47 -1.26 -1.59 119.74 117.60 2kha s LYS 78 Ca 0.74 -1.13 0.06 0.00 -1.56 0.00 0.00 55.97 54.07 2kha s LYS 78 Cb -0.35 -2.26 -0.04 0.00 -1.46 0.00 0.00 37.83 33.72 2kha s LYS 78 CO 0.50 0.47 -0.10 0.42 0.16 0.00 0.00 175.35 176.80 2kha s ILE 79 N -1.51 3.37 -0.09 5.43 1.09 0.32 -1.39 121.20 128.42 2kha s ILE 79 Ca 0.24 -1.06 -0.04 0.00 -1.10 0.00 0.00 60.65 58.69 2kha s ILE 79 Cb -0.10 -2.51 0.05 0.00 -1.06 0.00 0.00 42.46 38.84 2kha s ILE 79 CO 0.15 0.26 0.19 -0.31 -0.10 0.00 0.00 174.94 175.13 2kha s TYR 80 N -1.08 -0.24 0.25 3.97 2.02 -0.91 -2.15 117.35 119.21 2kha s TYR 80 Ca 0.19 0.64 -0.11 0.00 -0.37 0.00 0.00 57.07 57.42 2kha s TYR 80 Cb -0.11 -0.10 0.04 0.00 -0.40 0.00 0.00 41.96 41.40 2kha s TYR 80 CO 0.10 -0.23 0.56 1.97 -1.57 0.00 0.00 175.55 176.37 2kha n PHE 81 N 4.65 -1.83 -3.70 2.71 1.16 -1.01 -0.01 117.46 119.42 2kha n PHE 81 Ca -0.18 -1.22 -0.12 0.00 -1.87 0.00 0.00 57.45 54.07 2kha n PHE 81 Cb 0.51 0.61 -0.10 0.00 -1.61 0.00 0.00 39.48 38.89 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 -4.23 -0.59 0.31 2.97 1.48 0.76 -1.58 118.94 118.06 2kha s TRP 82 Ca 0.11 1.33 0.06 0.00 -1.06 0.00 0.00 56.10 56.54 2kha s TRP 82 Cb -0.03 0.25 -0.01 0.00 -1.16 0.00 0.00 33.47 32.51 2kha s TRP 82 CO 0.08 -0.31 0.45 0.95 -4.06 0.00 0.00 176.95 174.05 2kha s THR 83 N 0.83 4.41 -0.17 0.66 -4.23 -1.06 -1.59 115.64 114.49 2kha s THR 83 Ca -0.05 -0.98 -0.04 0.00 -1.18 0.00 0.00 61.69 59.45 2kha s THR 83 Cb -0.05 -3.54 0.08 0.00 1.34 0.00 0.00 72.50 70.33 2kha s THR 83 CO -0.06 -0.21 0.22 -0.47 -0.54 0.00 0.00 174.62 173.55 2kha s TYR 84 N -2.13 -0.28 0.33 3.99 5.04 0.31 -1.89 117.35 122.72 2kha s TYR 84 Ca 0.42 0.43 0.08 0.00 -2.44 0.00 0.00 57.07 55.56 2kha s TYR 84 Cb -0.09 -0.29 -0.03 0.00 0.35 0.00 0.00 41.96 41.90 2kha s TYR 84 CO 0.31 -0.49 0.25 0.54 -1.34 0.00 0.00 175.55 174.81 2kha s VAL 85 N 2.34 3.42 -0.24 3.14 0.11 0.52 0.24 120.40 129.93 2kha s VAL 85 Ca 0.05 -1.46 -0.04 0.00 -2.93 0.00 0.00 61.98 57.60 2kha s VAL 85 Cb -0.14 -3.13 0.08 0.00 -1.53 0.00 0.00 36.38 31.66 2kha s VAL 85 CO -0.10 -0.18 0.11 -0.63 -3.33 0.00 0.00 175.10 170.96 2kha s ILE 86 N -2.33 0.04 -1.12 7.04 -1.09 0.25 -2.10 121.20 121.88 2kha s ILE 86 Ca 0.40 -0.57 -0.03 0.00 -2.23 0.00 0.00 60.65 58.22 2kha s ILE 86 Cb -0.05 -0.88 0.25 0.00 -1.58 0.00 0.00 42.46 40.19 2kha s ILE 86 CO 0.25 -0.52 2.04 1.17 -1.23 0.00 0.00 174.94 176.66 2kha n LYS 87 N 5.22 5.06 -2.80 2.79 0.00 -0.97 0.33 118.16 127.78 2kha n LYS 87 Ca -0.06 -4.19 -0.07 0.00 0.00 0.00 0.00 58.31 53.99 2kha n LYS 87 Cb 0.45 -2.52 0.03 0.00 0.00 0.00 0.00 35.03 32.99 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 0.57 -6.02 -0.31 3.14 -0.08 -1.26 -3.66 116.55 108.94 2kha n ASP 88 Ca 0.53 -0.34 -0.03 0.00 -1.51 0.00 0.00 54.79 53.44 2kha n ASP 88 Cb 0.26 -4.26 -0.01 0.00 2.34 0.00 0.00 41.12 39.45 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 -1.42 0.41 2.30 0.27 0.00 -1.26 -4.98 105.19 100.51 2kha n GLY 89 Ca -0.03 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.41 -0.40 -4.87 0.99 4.77 -1.24 -5.13 117.00 110.71 2kha n LEU 90 Ca -0.03 -4.43 -0.31 0.00 -0.03 0.00 0.00 56.01 51.21 2kha n LEU 90 Cb 0.34 0.66 0.01 0.00 -2.33 0.00 0.00 43.42 42.11 2kha n LEU 90 CO 0.05 2.04 0.72 -0.83 -1.33 0.00 0.00 177.39 178.03 2kha s GLY 91 N -1.08 1.65 -0.04 -0.72 0.00 -1.25 -2.30 107.32 103.58 2kha s GLY 91 Ca 0.34 -0.14 -0.19 0.00 0.00 0.00 0.00 44.72 44.74 2kha s GLY 91 CO -0.14 0.15 0.41 -0.19 0.00 0.00 0.00 173.10 173.33 2kha s TYR 92 N -3.20 -0.32 0.04 1.90 2.02 -0.89 -4.94 117.35 111.95 2kha s TYR 92 Ca 0.55 0.56 0.05 0.00 -0.37 0.00 0.00 57.07 57.86 2kha s TYR 92 Cb -0.11 0.18 -0.02 0.00 -0.40 0.00 0.00 41.96 41.61 2kha s TYR 92 CO 0.53 -0.43 -0.16 -0.98 -1.57 0.00 0.00 175.55 172.95 2kha s ARG 93 N -1.14 1.06 -1.03 -0.62 1.70 -1.25 -0.35 118.95 117.32 2kha s ARG 93 Ca -0.12 -0.78 -0.05 0.00 -0.47 0.00 0.00 55.73 54.32 2kha s ARG 93 Cb -0.04 -1.09 0.28 0.00 -0.57 0.00 0.00 34.95 33.53 2kha s ARG 93 CO 0.05 0.28 1.15 0.94 -1.08 0.00 0.00 175.30 176.64 2kha n GLN 94 N 1.97 3.62 -1.98 3.89 7.27 -0.79 -4.77 117.38 126.58 2kha n GLN 94 Ca -0.17 -4.52 -0.29 0.00 0.07 0.00 0.00 57.00 52.09 2kha n GLN 94 Cb 0.54 -2.49 0.16 0.00 2.41 0.00 0.00 30.24 30.86 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 -0.36 3.57 -1.69 1.69 1.47 -1.26 -2.58 116.67 117.51 2kha s ASP 95 Ca 0.31 0.35 0.00 0.00 1.18 0.00 0.00 52.55 54.39 2kha s ASP 95 Cb -0.02 -0.53 0.00 0.00 -0.34 0.00 0.00 42.92 42.02 2kha s ASP 95 CO -0.02 -2.45 0.00 -3.20 0.68 0.00 0.00 175.17 170.18 2kha n ASN 96 N -3.58 -5.43 -4.83 2.11 2.85 -1.21 -4.93 115.26 100.25 2kha n ASN 96 Ca 0.13 0.39 -0.30 0.00 -0.11 0.00 0.00 54.58 54.69 2kha n ASN 96 Cb 0.60 -4.33 0.06 0.00 1.24 0.00 0.00 39.78 37.35 2kha n ASN 96 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2kha s GLY 97 N -2.65 1.64 -0.09 8.20 0.00 -0.62 -4.93 107.32 108.88 2kha s GLY 97 Ca 0.00 -0.14 -0.21 0.00 0.00 0.00 0.00 44.72 44.38 2kha s GLY 97 CO 0.00 0.23 0.49 1.85 0.00 0.00 0.00 173.10 175.67 2kha s GLU 98 N -5.17 0.76 0.17 2.90 2.12 -1.26 -2.42 118.70 115.80 2kha s GLU 98 Ca 0.59 0.27 -0.04 0.00 0.36 0.00 0.00 54.97 56.15 2kha s GLU 98 Cb -0.13 0.36 -0.03 0.00 0.26 0.00 0.00 34.13 34.58 2kha s GLU 98 CO 0.54 -0.19 0.16 -0.46 -0.54 0.00 0.00 175.26 174.77 2kha s TRP 99 N -0.72 0.80 0.32 5.30 -0.00 -0.92 -4.95 118.94 118.78 2kha s TRP 99 Ca -0.08 -1.13 0.09 0.00 -0.00 0.00 0.00 56.10 54.98 2kha s TRP 99 Cb -0.03 -0.35 -0.05 0.00 -0.00 0.00 0.00 33.47 33.03 2kha s TRP 99 CO 0.05 -0.64 -0.00 -0.08 -0.00 0.00 0.00 176.95 176.28 2kha s THR 100 N -4.06 2.81 -0.07 5.86 -1.32 -1.26 0.12 115.64 117.72 2kha s THR 100 Ca 0.27 -1.98 0.10 0.00 -1.21 0.00 0.00 61.69 58.87 2kha s THR 100 Cb 0.06 -2.77 0.16 0.00 -1.51 0.00 0.00 72.50 68.43 2kha s THR 100 CO 0.05 -0.25 1.05 0.52 -2.21 0.00 0.00 174.62 173.78 2kha n VAL 101 N -0.93 1.20 0.30 5.08 0.31 -0.62 -4.73 118.33 118.94 2kha n VAL 101 Ca -0.05 -1.41 0.09 0.00 -0.01 0.00 0.00 64.34 62.96 2kha n VAL 101 Cb 0.61 0.12 0.41 0.00 -0.91 0.00 0.00 33.84 34.07 2kha n VAL 101 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2kha n THR 102 N -0.87 1.09 -3.90 2.52 -2.24 -1.26 -2.95 114.28 106.66 2kha n THR 102 Ca 0.09 0.40 -0.09 0.00 -2.27 0.00 0.00 64.05 62.18 2kha n THR 102 Cb 0.58 -1.33 -0.07 0.00 -2.10 0.00 0.00 70.33 67.42 2kha n THR 102 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2kha s GLU 103 N -3.26 0.98 -0.00 -0.78 2.02 -1.26 -4.72 118.70 111.67 2kha s GLU 103 Ca 0.02 -1.05 0.04 0.00 0.02 0.00 0.00 54.97 54.00 2kha s GLU 103 Cb 0.07 0.36 -0.01 0.00 0.10 0.00 0.00 34.13 34.65 2kha s GLU 103 CO 0.26 -0.33 -0.13 -0.06 0.02 0.00 0.00 175.26 175.02 2kha s PHE 104 N -3.91 1.12 0.30 1.61 0.08 -1.26 -4.20 117.98 111.73 2kha s PHE 104 Ca 0.10 -0.23 0.04 0.00 0.12 0.00 0.00 56.93 56.97 2kha s PHE 104 Cb 0.04 -0.71 -0.02 0.00 -0.57 0.00 0.00 43.02 41.76 2kha s PHE 104 CO -0.06 -0.01 0.45 0.14 -0.10 0.00 0.00 175.22 175.63 2kha s VAL 105 N -0.36 4.78 0.42 -0.44 -7.23 0.42 0.17 120.40 118.17 2kha s VAL 105 Ca 0.04 -0.87 -0.16 0.00 -1.81 0.00 0.00 61.98 59.18 2kha s VAL 105 Cb -0.05 -3.70 -0.09 0.00 0.56 0.00 0.00 36.38 33.11 2kha s VAL 105 CO -0.00 -0.32 0.87 0.20 -0.31 0.00 0.00 175.10 175.54 2kha s ASN 106 N -4.07 6.73 0.49 4.85 0.01 1.15 -4.00 114.94 120.10 2kha s ASN 106 Ca 0.39 1.44 0.25 0.00 -0.71 0.00 0.00 52.86 54.24 2kha s ASN 106 Cb -0.09 -2.44 1.37 0.00 0.41 0.00 0.00 41.25 40.49 2kha s ASN 106 CO 0.31 -0.39 1.74 -0.33 -1.51 0.00 0.00 177.10 176.93 2kha h GLU 107 N 1.60 0.00 -0.03 -0.60 5.08 -1.92 0.90 114.58 119.61 2kha h GLU 107 Ca -0.48 0.00 -0.14 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 30.42 2kha h GLU 107 CO 0.63 0.00 -0.61 0.22 -1.00 0.00 0.00 179.01 178.25 2kha h ASP 108 N 0.00 0.13 0.00 1.42 3.58 -2.03 -3.47 116.42 116.05 2kha h ASP 108 Ca 0.00 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2kha h ASP 108 Cb 0.42 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2kha h ASP 108 CO 0.00 0.70 0.00 0.61 -2.88 0.00 0.00 179.24 177.67 2kha n GLY 109 N 0.24 1.82 3.14 -0.78 0.00 0.31 -5.14 105.19 104.79 2kha n GLY 109 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 0.62 0.06 2.61 -4.23 -1.23 -4.87 115.64 106.60 2kha s THR 110 Ca 0.00 -1.77 -0.36 0.00 -1.18 0.00 0.00 61.69 58.39 2kha s THR 110 Cb 0.00 -1.47 -0.15 0.00 1.34 0.00 0.00 72.50 72.22 2kha s THR 110 CO 0.00 -0.80 1.52 -2.65 -0.54 0.00 0.00 174.62 172.16 2kha n PRO 111 N 0.25 1.63 -2.44 3.99 -0.02 -1.26 0.36 135.00 137.51 2kha n PRO 111 Ca -0.14 0.59 -0.43 0.00 -2.02 0.00 0.00 63.50 61.50 2kha n PRO 111 Cb 0.60 -2.30 -0.02 0.00 -0.02 0.00 0.00 33.50 31.75 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 1.31 3.29 0.07 3.55 0.00 0.45 -4.60 121.76 125.84 2kha s ALA 112 Ca 0.85 -0.02 0.08 0.00 0.00 0.00 0.00 51.96 52.87 2kha s ALA 112 Cb -0.84 -3.81 -0.03 0.00 0.00 0.00 0.00 23.12 18.44 2kha s ALA 112 CO 0.46 -1.92 -0.20 0.34 0.00 0.00 0.00 175.76 174.43 2kha s ASP 113 N 2.90 2.46 -0.21 0.00 -1.08 -1.26 -4.69 116.67 114.78 2kha s ASP 113 Ca 0.56 -0.61 -0.16 0.00 -0.52 0.00 0.00 52.55 51.82 2kha s ASP 113 Cb -0.15 -0.16 -0.11 0.00 -1.46 0.00 0.00 42.92 41.04 2kha s ASP 113 CO 0.25 0.10 -0.16 0.35 0.52 0.00 0.00 175.17 176.23 2kha n THR 114 N 1.44 1.50 -3.68 1.71 -2.24 -1.26 -4.99 114.28 106.76 2kha n THR 114 Ca -0.19 -0.07 -0.11 0.00 -2.27 0.00 0.00 64.05 61.42 2kha n THR 114 Cb 0.53 -2.11 -0.11 0.00 -2.10 0.00 0.00 70.33 66.54 2kha n THR 114 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kha s SER 115 N -6.68 -0.18 -0.34 3.42 0.01 -1.26 -5.10 113.70 103.57 2kha s SER 115 Ca -0.30 0.79 -0.06 0.00 1.31 0.00 0.00 55.95 57.70 2kha s SER 115 Cb 0.08 0.88 0.19 0.00 0.21 0.00 0.00 66.02 67.37 2kha s SER 115 CO 0.46 -0.21 0.96 -0.22 0.41 0.00 0.00 173.24 174.63 2kha s LEU 116 N 2.02 -0.60 -0.30 2.44 0.20 -1.26 -5.07 118.68 116.11 2kha s LEU 116 Ca -0.04 -0.24 -0.01 0.00 0.69 0.00 0.00 54.13 54.53 2kha s LEU 116 Cb -0.11 0.86 0.00 0.00 -0.43 0.00 0.00 46.19 46.51 2kha s LEU 116 CO -0.11 -0.07 0.02 -0.62 -0.29 0.00 0.00 176.35 175.28 2kha n GLU 117 N 4.06 -3.37 0.00 1.98 -0.58 -1.26 -5.20 120.64 116.27 2kha n GLU 117 Ca 0.07 2.71 0.08 0.00 -0.42 0.00 0.00 57.16 59.60 2kha n GLU 117 Cb 0.61 -5.26 0.46 0.00 -0.57 0.00 0.00 31.44 26.68 2kha n GLU 117 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30