#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 2.17 0.26 3.69 5.04 -1.26 -5.11 117.35 122.13 2kha s TYR 7 Ca 0.00 -0.06 0.09 0.00 -2.44 0.00 0.00 57.07 54.66 2kha s TYR 7 Cb 0.00 -3.01 -0.04 0.00 0.35 0.00 0.00 41.96 39.26 2kha s TYR 7 CO 0.00 -1.46 0.02 0.08 -1.34 0.00 0.00 175.55 172.85 2kha s VAL 8 N -3.08 3.61 0.23 3.14 1.01 -1.26 -4.89 120.40 119.16 2kha s VAL 8 Ca 0.63 -1.80 -0.30 0.00 0.00 0.00 0.00 61.98 60.51 2kha s VAL 8 Cb -0.08 -2.92 -0.09 0.00 0.00 0.00 0.00 36.38 33.29 2kha s VAL 8 CO 0.43 -0.35 1.33 0.54 0.00 0.00 0.00 175.10 177.05 2kha s VAL 9 N -2.25 3.06 0.48 2.92 0.11 -1.26 -5.00 120.40 118.46 2kha s VAL 9 Ca 0.31 0.90 -0.08 0.00 -2.93 0.00 0.00 61.98 60.18 2kha s VAL 9 Cb -0.07 -3.57 0.12 0.00 -1.53 0.00 0.00 36.38 31.33 2kha s VAL 9 CO 0.20 0.15 0.37 -2.65 -3.33 0.00 0.00 175.10 169.85 2kha n PRO 10 N 2.32 -2.21 -4.09 1.54 -0.02 -1.26 -4.84 135.00 126.44 2kha n PRO 10 Ca 0.05 -0.61 -0.35 0.00 -2.02 0.00 0.00 63.50 60.58 2kha n PRO 10 Cb 0.42 -0.63 -0.12 0.00 -0.02 0.00 0.00 33.50 33.15 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 -2.53 4.88 -0.55 2.55 0.15 -1.26 -4.71 113.70 112.23 2kha s SER 11 Ca 0.26 -0.18 -0.25 0.00 0.70 0.00 0.00 55.95 56.48 2kha s SER 11 Cb -0.03 -1.83 0.04 0.00 -1.71 0.00 0.00 66.02 62.49 2kha s SER 11 CO 0.20 0.08 0.97 0.00 1.20 0.00 0.00 173.24 175.69 2kha s ALA 12 N 0.93 3.15 -0.26 5.45 0.00 -1.25 -4.00 121.76 125.77 2kha s ALA 12 Ca 0.01 -1.14 -0.18 0.00 0.00 0.00 0.00 51.96 50.65 2kha s ALA 12 Cb -0.14 -3.77 -0.03 0.00 0.00 0.00 0.00 23.12 19.18 2kha s ALA 12 CO 0.02 -2.39 0.52 0.21 0.00 0.00 0.00 175.76 174.12 2kha s LYS 13 N 4.06 4.06 0.23 0.00 2.20 0.27 -4.82 119.74 125.75 2kha s LYS 13 Ca 0.33 0.31 0.07 0.00 -0.36 0.00 0.00 55.97 56.32 2kha s LYS 13 Cb -0.12 -3.66 -0.04 0.00 -1.51 0.00 0.00 37.83 32.51 2kha s LYS 13 CO 0.21 -0.36 0.12 -0.51 -0.36 0.00 0.00 175.35 174.44 2kha s LEU 14 N 2.32 3.60 -0.08 5.43 1.02 -1.26 -0.25 118.68 129.47 2kha s LEU 14 Ca 0.21 -0.35 -0.08 0.00 0.02 0.00 0.00 54.13 53.94 2kha s LEU 14 Cb -0.16 -2.16 0.02 0.00 0.02 0.00 0.00 46.19 43.92 2kha s LEU 14 CO 0.09 0.00 0.22 -0.70 0.02 0.00 0.00 176.35 175.98 2kha s GLU 15 N -3.60 0.27 -0.24 1.70 2.56 -0.28 -4.95 118.70 114.15 2kha s GLU 15 Ca 0.32 0.26 -0.23 0.00 0.00 0.00 0.00 54.97 55.32 2kha s GLU 15 Cb -0.08 0.13 -0.01 0.00 2.00 0.00 0.00 34.13 36.17 2kha s GLU 15 CO 0.23 -0.04 0.77 0.00 -0.56 0.00 0.00 175.26 175.66 2kha s ALA 16 N 0.02 3.63 -0.12 6.30 0.00 -1.26 -1.95 121.76 128.39 2kha s ALA 16 Ca -0.01 -0.21 -0.17 0.00 0.00 0.00 0.00 51.96 51.57 2kha s ALA 16 Cb -0.02 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 2kha s ALA 16 CO 0.00 -0.87 0.44 0.42 0.00 0.00 0.00 175.76 175.76 2kha s ILE 17 N 2.69 5.19 0.07 0.00 -1.09 -0.27 0.18 121.20 127.97 2kha s ILE 17 Ca 0.32 0.88 -0.14 0.00 -2.23 0.00 0.00 60.65 59.49 2kha s ILE 17 Cb -0.15 -3.78 -0.06 0.00 -1.58 0.00 0.00 42.46 36.88 2kha s ILE 17 CO 0.08 0.35 0.47 -0.47 -1.23 0.00 0.00 174.94 174.14 2kha s TYR 18 N 0.48 3.67 -2.50 3.97 5.04 0.07 -1.05 117.35 127.03 2kha s TYR 18 Ca 0.24 1.00 0.26 0.00 -2.44 0.00 0.00 57.07 56.14 2kha s TYR 18 Cb -0.15 -2.31 0.72 0.00 0.35 0.00 0.00 41.96 40.58 2kha s TYR 18 CO 0.09 0.55 1.56 -0.35 -1.34 0.00 0.00 175.55 176.06 2kha n PRO 19 N 1.32 1.70 -3.14 4.97 -0.04 -1.26 -4.26 135.00 134.29 2kha n PRO 19 Ca -0.10 -1.15 0.03 0.00 -0.04 0.00 0.00 63.50 62.24 2kha n PRO 19 Cb 0.52 -1.48 -0.00 0.00 -0.04 0.00 0.00 33.50 32.50 2kha n PRO 19 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2kha s ARG 20 N -2.10 0.60 -0.01 0.54 3.52 -0.98 -4.89 118.95 115.63 2kha s ARG 20 Ca 0.32 0.12 -0.30 0.00 -0.13 0.00 0.00 55.73 55.75 2kha s ARG 20 Cb 0.20 0.15 0.11 0.00 -1.56 0.00 0.00 34.95 33.86 2kha s ARG 20 CO 0.37 -0.98 1.29 0.20 -0.81 0.00 0.00 175.30 175.37 2kha s GLY 21 N 2.35 -0.32 -0.18 8.12 0.00 -0.21 -4.10 107.32 112.98 2kha s GLY 21 Ca 0.14 0.48 -0.10 0.00 0.00 0.00 0.00 44.72 45.24 2kha s GLY 21 CO -0.17 1.83 0.44 -2.27 0.00 0.00 0.00 173.10 172.93 2kha s LEU 22 N -3.24 -0.17 -0.21 0.66 1.98 0.14 -1.12 118.68 116.72 2kha s LEU 22 Ca 0.19 0.95 0.02 0.00 -2.89 0.00 0.00 54.13 52.40 2kha s LEU 22 Cb 0.03 1.44 0.04 0.00 0.66 0.00 0.00 46.19 48.36 2kha s LEU 22 CO -0.03 -0.20 -0.16 -0.60 -1.89 0.00 0.00 176.35 173.48 2kha s ARG 23 N 1.42 2.62 0.28 1.98 3.52 -0.82 -0.79 118.95 127.16 2kha s ARG 23 Ca -0.10 -1.05 0.09 0.00 -0.13 0.00 0.00 55.73 54.54 2kha s ARG 23 Cb -0.08 -2.69 -0.04 0.00 -1.56 0.00 0.00 34.95 30.58 2kha s ARG 23 CO -0.13 -0.37 0.09 0.08 -0.81 0.00 0.00 175.30 174.15 2kha s VAL 24 N 1.22 3.56 -0.12 7.11 1.01 -0.83 -1.13 120.40 131.22 2kha s VAL 24 Ca -0.01 -1.73 -0.17 0.00 0.00 0.00 0.00 61.98 60.07 2kha s VAL 24 Cb -0.16 -3.01 0.04 0.00 0.00 0.00 0.00 36.38 33.25 2kha s VAL 24 CO -0.09 -0.31 0.44 -0.44 0.00 0.00 0.00 175.10 174.70 2kha s SER 25 N -3.77 -0.42 -0.04 3.32 0.01 0.65 -2.16 113.70 111.30 2kha s SER 25 Ca 0.34 0.69 -0.02 0.00 1.31 0.00 0.00 55.95 58.27 2kha s SER 25 Cb -0.06 0.73 0.03 0.00 0.21 0.00 0.00 66.02 66.94 2kha s SER 25 CO 0.22 -0.28 0.07 0.27 0.41 0.00 0.00 173.24 173.93 2kha s ILE 26 N -0.31 -0.10 -0.59 1.44 -4.36 -1.00 0.98 121.20 117.25 2kha s ILE 26 Ca -0.05 0.33 -0.27 0.00 -0.26 0.00 0.00 60.65 60.41 2kha s ILE 26 Cb -0.03 -0.15 -0.10 0.00 1.25 0.00 0.00 42.46 43.43 2kha s ILE 26 CO 0.03 0.14 2.46 -0.81 0.24 0.00 0.00 174.94 177.00 2kha n PRO 27 N 4.85 0.83 -1.00 0.37 -0.04 -1.26 -2.07 135.00 136.69 2kha n PRO 27 Ca -0.13 -0.06 -0.31 0.00 -0.04 0.00 0.00 63.50 62.96 2kha n PRO 27 Cb 0.50 -3.14 0.13 0.00 -0.04 0.00 0.00 33.50 30.95 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 11.55 3.76 -0.30 3.54 2.15 0.80 -4.57 116.67 133.60 2kha s ASP 28 Ca 1.04 1.99 0.19 0.00 0.43 0.00 0.00 52.55 56.20 2kha s ASP 28 Cb -0.35 -2.54 0.48 0.00 -0.30 0.00 0.00 42.92 40.21 2kha s ASP 28 CO 0.29 -2.54 1.12 -0.67 -0.17 0.00 0.00 175.17 173.20 2kha n ASP 29 N -3.86 1.01 -2.10 -0.34 2.03 -1.26 -4.80 116.55 107.23 2kha n ASP 29 Ca 0.10 -2.29 -0.11 0.00 0.52 0.00 0.00 54.79 53.01 2kha n ASP 29 Cb 0.53 -0.29 0.04 0.00 -0.72 0.00 0.00 41.12 40.68 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 -0.52 0.16 0.21 0.27 0.00 -1.26 -5.04 105.19 99.01 2kha n GLY 30 Ca 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.45 -3.78 0.00 1.61 3.72 -1.26 -4.83 117.46 109.47 2kha n PHE 31 Ca -0.04 -0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 2kha n PHE 31 Cb 0.54 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 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 2.01 -3.82 4.37 2.88 1.01 -4.90 113.62 112.13 2kha n SER 32 Ca 0.01 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 2kha n SER 32 Cb 0.03 0.24 -0.15 0.00 -0.75 0.00 0.00 64.21 63.58 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 -2.00 1.49 -0.45 2.46 2.96 -1.02 -4.40 118.68 117.72 2kha s LEU 33 Ca 0.00 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.98 2kha s LEU 33 Cb 0.00 -0.00 0.13 0.00 0.50 0.00 0.00 46.19 46.82 2kha s LEU 33 CO 0.00 -0.07 0.24 0.12 -1.32 0.00 0.00 176.35 175.32 2kha s PHE 34 N 0.56 2.27 -0.14 5.38 5.36 -0.86 0.97 117.98 131.52 2kha s PHE 34 Ca -0.05 -2.59 -0.25 0.00 -0.96 0.00 0.00 56.93 53.09 2kha s PHE 34 Cb -0.07 -2.11 -0.02 0.00 -0.34 0.00 0.00 43.02 40.48 2kha s PHE 34 CO -0.02 -0.78 0.79 0.00 -1.46 0.00 0.00 175.22 173.76 2kha s ALA 35 N 0.24 3.46 -0.17 11.12 0.00 0.47 -1.91 121.76 134.97 2kha s ALA 35 Ca 0.17 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.18 2kha s ALA 35 Cb -0.25 -3.15 -0.00 0.00 0.00 0.00 0.00 23.12 19.72 2kha s ALA 35 CO -0.00 -0.49 -0.12 0.12 0.00 0.00 0.00 175.76 175.26 2kha s PHE 36 N 1.76 2.84 -0.13 0.00 2.19 -1.05 0.10 117.98 123.70 2kha s PHE 36 Ca 0.38 -1.01 0.01 0.00 0.33 0.00 0.00 56.93 56.64 2kha s PHE 36 Cb -0.17 -1.95 0.02 0.00 -1.31 0.00 0.00 43.02 39.61 2kha s PHE 36 CO 0.14 -0.49 -0.14 -1.01 1.83 0.00 0.00 175.22 175.55 2kha s HIS 37 N 0.98 2.05 -0.09 10.12 3.76 -0.67 -2.33 115.29 129.11 2kha s HIS 37 Ca -0.02 -1.07 -0.23 0.00 -0.15 0.00 0.00 55.06 53.59 2kha s HIS 37 Cb -0.15 -1.50 0.05 0.00 1.11 0.00 0.00 32.58 32.09 2kha s HIS 37 CO -0.02 -0.58 0.55 0.20 -0.85 0.00 0.00 174.74 174.05 2kha s GLY 38 N 1.29 -0.42 0.17 -2.22 0.00 -0.74 0.25 107.32 105.64 2kha s GLY 38 Ca 0.00 1.15 0.09 0.00 0.00 0.00 0.00 44.72 45.96 2kha s GLY 38 CO -0.07 0.87 -0.18 1.25 0.00 0.00 0.00 173.10 174.97 2kha s LYS 39 N -0.78 1.29 -0.34 2.90 2.20 0.93 0.14 119.74 126.07 2kha s LYS 39 Ca -0.08 -1.42 -0.19 0.00 -0.36 0.00 0.00 55.97 53.92 2kha s LYS 39 Cb -0.03 -1.35 -0.00 0.00 -1.51 0.00 0.00 37.83 34.94 2kha s LYS 39 CO 0.06 0.27 0.55 -1.17 -0.36 0.00 0.00 175.35 174.70 2kha s LEU 40 N -2.70 4.30 -0.68 5.43 2.96 -1.26 -2.24 118.68 124.49 2kha s LEU 40 Ca 0.16 0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 54.11 2kha s LEU 40 Cb -0.06 -2.65 0.00 0.00 0.50 0.00 0.00 46.19 43.99 2kha s LEU 40 CO 0.07 -0.50 0.68 -3.20 -1.32 0.00 0.00 176.35 172.08 2kha n ASN 41 N 5.82 -7.82 0.00 3.68 5.15 -0.61 -5.01 115.26 116.46 2kha n ASN 41 Ca -0.04 0.04 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2kha n ASN 41 Cb 0.49 -5.31 0.00 0.00 -0.53 0.00 0.00 39.78 34.42 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 -1.49 0.00 0.00 1.20 2.13 -1.26 -5.07 120.64 116.14 2kha n GLU 42 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 2kha n GLU 42 Cb 0.49 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.20 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 -0.62 -3.81 5.31 1.02 -1.26 -4.62 120.64 116.65 2kha n GLU 43 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 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 -1.85 0.34 -0.46 3.49 -1.94 -1.26 -4.99 119.30 112.63 2kha s MET 44 Ca 0.00 0.08 0.04 0.00 -1.71 0.00 0.00 55.69 54.10 2kha s MET 44 Cb 0.00 0.16 0.17 0.00 2.01 0.00 0.00 34.83 37.16 2kha s MET 44 CO 0.00 -0.06 0.36 0.34 -0.01 0.00 0.00 175.02 175.64 2kha s ASP 45 N -0.38 2.26 0.00 3.03 2.15 -1.26 -4.91 116.67 117.56 2kha s ASP 45 Ca -0.05 -3.14 0.00 0.00 0.43 0.00 0.00 52.55 49.79 2kha s ASP 45 Cb -0.03 -0.69 0.00 0.00 -0.30 0.00 0.00 42.92 41.90 2kha s ASP 45 CO 0.01 -0.17 0.00 0.61 -0.17 0.00 0.00 175.17 175.45 2kha n GLY 46 N 2.78 -2.23 0.18 2.66 0.00 -1.26 -4.84 105.19 102.47 2kha n GLY 46 Ca 0.26 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.62 0.99 4.77 -1.26 -4.92 117.00 111.96 2kha n LEU 47 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 2kha n LEU 47 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 2kha n LEU 47 CO 0.00 0.00 -0.35 -1.61 -1.33 0.00 0.00 177.39 174.10 2kha s GLU 48 N 0.00 2.79 0.58 3.23 0.41 -1.26 -4.99 118.70 119.46 2kha s GLU 48 Ca 0.00 -0.54 0.29 0.00 -0.41 0.00 0.00 54.97 54.32 2kha s GLU 48 Cb 0.00 -2.64 1.43 0.00 -1.78 0.00 0.00 34.13 31.14 2kha s GLU 48 CO 0.00 0.66 1.83 0.00 -0.49 0.00 0.00 175.26 177.27 2kha h ALA 49 N 5.05 2.36 -0.24 5.21 0.00 -2.00 -3.46 119.26 126.18 2kha h ALA 49 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2kha h ALA 49 Cb 1.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2kha h ALA 49 CO 0.53 -0.89 0.00 0.41 0.00 0.00 0.00 179.25 179.30 2kha n GLY 50 N -1.56 0.59 0.02 0.00 0.00 -1.26 -4.60 105.19 98.38 2kha n GLY 50 Ca 0.12 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.01 0.00 -1.73 1.61 -0.00 0.38 -4.81 115.22 110.66 2kha n HIS 51 Ca 0.00 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 57.98 2kha n HIS 51 Cb 0.00 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 29.81 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 -0.58 1.35 -0.52 1.57 0.51 0.24 -4.74 118.94 116.77 2kha s TRP 52 Ca 0.00 1.50 0.02 0.00 -2.12 0.00 0.00 56.10 55.50 2kha s TRP 52 Cb 0.00 -3.66 0.13 0.00 -0.81 0.00 0.00 33.47 29.14 2kha s TRP 52 CO 0.00 -1.74 0.28 0.00 -0.51 0.00 0.00 176.95 174.98 2kha s ALA 53 N 12.93 3.33 -0.11 0.98 0.00 -1.22 -1.79 121.76 135.88 2kha s ALA 53 Ca 0.85 -3.19 -0.05 0.00 0.00 0.00 0.00 51.96 49.58 2kha s ALA 53 Cb -0.11 -2.26 0.05 0.00 0.00 0.00 0.00 23.12 20.80 2kha s ALA 53 CO 0.07 -2.00 0.23 0.50 0.00 0.00 0.00 175.76 174.56 2kha s ARG 54 N -0.10 0.15 -0.12 0.00 3.00 -0.98 -5.01 118.95 115.89 2kha s ARG 54 Ca 0.16 0.59 -0.21 0.00 -1.00 0.00 0.00 55.73 55.27 2kha s ARG 54 Cb -0.24 -0.12 -0.03 0.00 0.00 0.00 0.00 34.95 34.56 2kha s ARG 54 CO -0.02 -0.22 0.62 0.16 0.00 0.00 0.00 175.30 175.84 2kha s ASP 55 N 1.78 6.82 0.24 -2.12 1.47 -1.26 -2.52 116.67 121.08 2kha s ASP 55 Ca -0.04 0.99 0.06 0.00 1.18 0.00 0.00 52.55 54.74 2kha s ASP 55 Cb -0.11 -2.36 -0.03 0.00 -0.34 0.00 0.00 42.92 40.07 2kha s ASP 55 CO -0.08 -0.13 0.27 -0.63 0.68 0.00 0.00 175.17 175.29 2kha s ILE 56 N 1.05 4.85 -0.29 2.11 1.01 -0.80 -4.95 121.20 124.17 2kha s ILE 56 Ca 0.32 -1.17 0.19 0.00 0.00 0.00 0.00 60.65 59.98 2kha s ILE 56 Cb -0.16 -3.61 0.47 0.00 0.01 0.00 0.00 42.46 39.16 2kha s ILE 56 CO 0.14 -0.32 1.29 1.07 0.00 0.00 0.00 174.94 177.12 2kha n THR 57 N -1.21 0.74 -3.01 2.92 5.66 -1.26 -2.03 114.28 116.08 2kha n THR 57 Ca -0.08 -2.11 0.04 0.00 -3.05 0.00 0.00 64.05 58.85 2kha n THR 57 Cb 0.57 1.18 0.00 0.00 -1.55 0.00 0.00 70.33 70.53 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 -2.15 0.14 0.99 1.09 2.20 -1.26 -4.98 119.74 115.76 2kha s LYS 58 Ca 0.19 0.05 -0.12 0.00 -0.36 0.00 0.00 55.97 55.73 2kha s LYS 58 Cb 0.37 0.04 0.19 0.00 -1.51 0.00 0.00 37.83 36.92 2kha s LYS 58 CO -0.08 -0.23 0.40 -2.30 -0.36 0.00 0.00 175.35 172.78 2kha n PRO 59 N 4.57 -2.39 -0.05 4.03 -0.02 -1.26 -4.86 135.00 135.02 2kha n PRO 59 Ca 0.08 -0.71 -0.08 0.00 -2.02 0.00 0.00 63.50 60.77 2kha n PRO 59 Cb 0.60 -1.46 -0.03 0.00 -0.02 0.00 0.00 33.50 32.59 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 -1.83 0.36 -2.80 -0.52 3.00 0.45 -4.92 118.16 111.91 2kha n LYS 60 Ca 0.07 0.15 -0.03 0.00 -0.00 0.00 0.00 58.31 58.50 2kha n LYS 60 Cb 0.31 -1.13 0.01 0.00 0.00 0.00 0.00 35.03 34.22 2kha n LYS 60 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2kha s GLU 61 N -2.57 0.78 0.00 1.64 2.12 -1.26 -4.88 118.70 114.53 2kha s GLU 61 Ca -0.21 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 54.44 2kha s GLU 61 Cb 0.04 -0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.41 2kha s GLU 61 CO 0.30 -0.99 0.00 0.41 -0.54 0.00 0.00 175.26 174.44 2kha n GLY 62 N 3.11 1.05 3.45 -1.50 0.00 -1.26 -4.92 105.19 105.12 2kha n GLY 62 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 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 0.87 0.53 1.61 0.52 -1.26 -0.14 118.95 120.86 2kha s ARG 63 Ca 0.00 0.31 -0.09 0.00 -0.52 0.00 0.00 55.73 55.44 2kha s ARG 63 Cb 0.00 0.41 -0.04 0.00 0.52 0.00 0.00 34.95 35.84 2kha s ARG 63 CO 0.00 -0.23 0.89 -1.58 0.02 0.00 0.00 175.30 174.40 2kha s TRP 64 N -0.81 3.57 -0.10 -0.53 0.52 -0.88 -0.41 118.94 120.31 2kha s TRP 64 Ca -0.09 1.06 -0.02 0.00 0.02 0.00 0.00 56.10 57.08 2kha s TRP 64 Cb -0.02 -2.51 0.03 0.00 -1.15 0.00 0.00 33.47 29.82 2kha s TRP 64 CO 0.06 -0.43 -0.00 0.99 0.02 0.00 0.00 176.95 177.60 2kha s THR 65 N -2.87 0.48 -0.70 2.01 2.01 -1.26 -2.38 115.64 112.94 2kha s THR 65 Ca 0.51 -0.06 -0.15 0.00 0.31 0.00 0.00 61.69 62.30 2kha s THR 65 Cb -0.11 -0.69 0.18 0.00 0.01 0.00 0.00 72.50 71.89 2kha s THR 65 CO 0.46 0.18 0.65 0.12 -0.69 0.00 0.00 174.62 175.34 2kha s PHE 66 N 1.92 3.52 -0.20 4.92 2.19 -0.92 -4.91 117.98 124.50 2kha s PHE 66 Ca 0.04 -1.66 -0.17 0.00 0.33 0.00 0.00 56.93 55.47 2kha s PHE 66 Cb -0.13 -3.82 -0.04 0.00 -1.31 0.00 0.00 43.02 37.72 2kha s PHE 66 CO -0.06 -1.01 0.44 1.03 1.83 0.00 0.00 175.22 177.45 2kha s ARG 67 N 0.86 4.18 -0.31 10.12 0.52 -1.26 -1.97 118.95 131.10 2kha s ARG 67 Ca 0.11 0.28 -0.02 0.00 -0.52 0.00 0.00 55.73 55.58 2kha s ARG 67 Cb -0.19 -3.54 0.11 0.00 0.52 0.00 0.00 34.95 31.84 2kha s ARG 67 CO -0.03 -0.08 0.14 0.34 0.02 0.00 0.00 175.30 175.69 2kha s ASP 68 N 1.08 3.52 -0.13 0.23 2.15 0.03 -4.98 116.67 118.56 2kha s ASP 68 Ca 0.21 -1.59 0.05 0.00 0.43 0.00 0.00 52.55 51.66 2kha s ASP 68 Cb -0.15 -0.48 0.37 0.00 -0.30 0.00 0.00 42.92 42.36 2kha s ASP 68 CO 0.09 -0.40 1.16 -2.11 -0.17 0.00 0.00 175.17 173.74 2kha n ARG 69 N 4.87 2.53 -2.60 4.34 1.85 -1.26 0.28 116.66 126.67 2kha n ARG 69 Ca -0.01 -1.45 -0.10 0.00 -1.00 0.00 0.00 57.85 55.28 2kha n ARG 69 Cb 0.41 -1.79 0.03 0.00 -1.05 0.00 0.00 32.46 30.06 2kha n ARG 69 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2kha n ASN 70 N 0.16 2.53 -4.13 2.89 5.15 -1.26 -4.57 115.26 116.04 2kha n ASN 70 Ca 0.16 -2.74 -0.33 0.00 -0.60 0.00 0.00 54.58 51.07 2kha n ASN 70 Cb 0.78 -0.47 -0.15 0.00 -0.53 0.00 0.00 39.78 39.41 2kha n ASN 70 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kha s ALA 71 N -3.54 2.50 -1.15 5.20 0.00 -1.26 -5.03 121.76 118.48 2kha s ALA 71 Ca 0.34 -1.45 -0.20 0.00 0.00 0.00 0.00 51.96 50.64 2kha s ALA 71 Cb 0.39 -1.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.02 2kha s ALA 71 CO -0.02 -0.74 1.93 1.17 0.00 0.00 0.00 175.76 178.10 2kha n LYS 72 N 4.57 2.15 -2.11 0.00 0.00 -1.26 -3.96 118.16 117.55 2kha n LYS 72 Ca -0.18 -2.53 -0.28 0.00 0.00 0.00 0.00 58.31 55.32 2kha n LYS 72 Cb 0.47 -3.41 0.04 0.00 0.00 0.00 0.00 35.03 32.13 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 5.60 3.02 0.02 3.14 1.43 -1.26 -5.10 118.68 125.53 2kha s LEU 73 Ca 0.59 0.92 -0.03 0.00 -1.03 0.00 0.00 54.13 54.59 2kha s LEU 73 Cb 0.06 -3.72 -0.01 0.00 0.03 0.00 0.00 46.19 42.56 2kha s LEU 73 CO 0.09 -1.25 0.03 -0.54 0.23 0.00 0.00 176.35 174.90 2kha s LYS 74 N -5.21 0.39 0.16 1.70 -0.14 -1.26 -5.05 119.74 110.33 2kha s LYS 74 Ca 0.57 -0.57 -0.30 0.00 -1.36 0.00 0.00 55.97 54.30 2kha s LYS 74 Cb -0.11 0.15 -0.08 0.00 -1.68 0.00 0.00 37.83 36.11 2kha s LYS 74 CO 0.49 -0.08 1.30 -1.17 -0.76 0.00 0.00 175.35 175.12 2kha s LEU 75 N -1.51 4.40 0.00 3.17 1.98 -1.26 -2.82 118.68 122.64 2kha s LEU 75 Ca -0.14 2.31 0.00 0.00 -2.89 0.00 0.00 54.13 53.40 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 -0.01 -0.52 0.00 0.61 -1.89 0.00 0.00 176.35 174.54 2kha n GLY 76 N 2.71 3.02 3.55 7.98 0.00 -0.98 -4.91 105.19 116.56 2kha n GLY 76 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 0.08 1.58 0.32 1.61 -1.08 -1.13 -4.71 116.67 113.34 2kha s ASP 77 Ca 0.00 1.77 0.10 0.00 -0.52 0.00 0.00 52.55 53.90 2kha s ASP 77 Cb 0.00 -2.42 -0.05 0.00 -1.46 0.00 0.00 42.92 38.99 2kha s ASP 77 CO 0.00 -3.87 -0.06 -0.75 0.52 0.00 0.00 175.17 171.00 2kha s LYS 78 N -4.51 1.94 0.10 4.34 2.20 -1.26 -1.55 119.74 121.00 2kha s LYS 78 Ca 0.68 -1.77 0.09 0.00 -0.36 0.00 0.00 55.97 54.61 2kha s LYS 78 Cb -0.24 -1.86 -0.04 0.00 -1.51 0.00 0.00 37.83 34.18 2kha s LYS 78 CO 0.62 0.20 -0.21 0.42 -0.36 0.00 0.00 175.35 176.03 2kha s ILE 79 N -2.52 2.61 -0.08 5.43 1.01 0.36 -1.58 121.20 126.43 2kha s ILE 79 Ca 0.33 -1.49 -0.03 0.00 0.00 0.00 0.00 60.65 59.46 2kha s ILE 79 Cb -0.01 -2.15 0.04 0.00 0.01 0.00 0.00 42.46 40.35 2kha s ILE 79 CO 0.18 0.18 0.17 -0.31 0.00 0.00 0.00 174.94 175.16 2kha s TYR 80 N -1.04 -0.21 0.21 3.97 2.02 -0.95 -1.61 117.35 119.73 2kha s TYR 80 Ca 0.16 0.57 -0.09 0.00 -0.37 0.00 0.00 57.07 57.34 2kha s TYR 80 Cb -0.10 -0.05 0.03 0.00 -0.40 0.00 0.00 41.96 41.44 2kha s TYR 80 CO 0.07 -0.19 0.46 1.97 -1.57 0.00 0.00 175.55 176.29 2kha n PHE 81 N 4.25 -1.67 -3.66 2.71 -1.74 -0.61 -0.05 117.46 116.69 2kha n PHE 81 Ca -0.26 -0.99 -0.06 0.00 -0.56 0.00 0.00 57.45 55.58 2kha n PHE 81 Cb 0.52 0.50 -0.07 0.00 1.52 0.00 0.00 39.48 41.94 2kha n PHE 81 CO 0.00 0.00 0.00 1.67 -0.56 0.00 0.00 176.76 177.87 2kha s TRP 82 N -5.01 -1.03 0.11 2.97 1.48 0.14 -2.07 118.94 115.52 2kha s TRP 82 Ca 0.09 1.94 0.04 0.00 -1.06 0.00 0.00 56.10 57.12 2kha s TRP 82 Cb -0.03 0.57 -0.04 0.00 -1.16 0.00 0.00 33.47 32.81 2kha s TRP 82 CO 0.06 -0.54 0.05 0.95 -4.06 0.00 0.00 176.95 173.42 2kha s THR 83 N 2.22 4.26 -0.07 0.66 -4.23 -1.08 -1.67 115.64 115.74 2kha s THR 83 Ca -0.07 -0.96 -0.00 0.00 -1.18 0.00 0.00 61.69 59.48 2kha s THR 83 Cb -0.09 -3.08 0.02 0.00 1.34 0.00 0.00 72.50 70.70 2kha s THR 83 CO -0.17 0.06 -0.04 -0.47 -0.54 0.00 0.00 174.62 173.47 2kha s TYR 84 N -1.45 0.86 0.32 3.99 5.04 0.29 0.80 117.35 127.20 2kha s TYR 84 Ca 0.28 -0.29 0.08 0.00 -2.44 0.00 0.00 57.07 54.70 2kha s TYR 84 Cb -0.11 -0.82 -0.03 0.00 0.35 0.00 0.00 41.96 41.34 2kha s TYR 84 CO 0.21 -0.29 0.21 0.54 -1.34 0.00 0.00 175.55 174.87 2kha s VAL 85 N 1.42 3.52 -0.13 3.14 0.11 0.34 0.18 120.40 128.97 2kha s VAL 85 Ca -0.03 -1.51 -0.03 0.00 -2.93 0.00 0.00 61.98 57.48 2kha s VAL 85 Cb -0.13 -3.13 0.05 0.00 -1.53 0.00 0.00 36.38 31.63 2kha s VAL 85 CO -0.03 -0.22 0.04 -0.63 -3.33 0.00 0.00 175.10 170.93 2kha s ILE 86 N -2.32 0.25 -0.81 7.04 -1.09 0.27 -2.01 121.20 122.54 2kha s ILE 86 Ca 0.38 -0.13 0.02 0.00 -2.23 0.00 0.00 60.65 58.69 2kha s ILE 86 Cb -0.05 -0.65 0.27 0.00 -1.58 0.00 0.00 42.46 40.44 2kha s ILE 86 CO 0.25 -0.04 1.00 1.17 -1.23 0.00 0.00 174.94 176.09 2kha n LYS 87 N 5.17 3.20 -2.66 2.79 0.00 -0.98 0.33 118.16 126.01 2kha n LYS 87 Ca -0.07 -4.62 -0.08 0.00 0.00 0.00 0.00 58.31 53.54 2kha n LYS 87 Cb 0.49 -2.36 0.04 0.00 0.00 0.00 0.00 35.03 33.20 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 1.12 -5.34 -1.24 3.14 -0.08 -1.26 -3.59 116.55 109.29 2kha n ASP 88 Ca 0.28 -0.38 -0.11 0.00 -1.51 0.00 0.00 54.79 53.07 2kha n ASP 88 Cb 0.38 -3.75 -0.01 0.00 2.34 0.00 0.00 41.12 40.07 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 -1.37 0.08 2.45 0.27 0.00 -1.26 -4.96 105.19 100.41 2kha n GLY 89 Ca -0.04 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.58 -1.12 -4.94 0.99 4.77 -1.24 -5.14 117.00 108.74 2kha n LEU 90 Ca -0.13 -4.07 -0.24 0.00 -0.03 0.00 0.00 56.01 51.54 2kha n LEU 90 Cb 0.57 0.62 -0.00 0.00 -2.33 0.00 0.00 43.42 42.28 2kha n LEU 90 CO 0.16 1.92 0.25 -0.83 -1.33 0.00 0.00 177.39 177.55 2kha s GLY 91 N -0.06 1.45 -0.06 -0.72 0.00 -1.25 -2.33 107.32 104.35 2kha s GLY 91 Ca 0.33 -0.93 -0.18 0.00 0.00 0.00 0.00 44.72 43.94 2kha s GLY 91 CO -0.16 -0.81 0.41 -0.19 0.00 0.00 0.00 173.10 172.35 2kha s TYR 92 N -2.46 -0.34 0.14 1.90 2.02 -0.85 -4.94 117.35 112.81 2kha s TYR 92 Ca 0.44 0.65 0.09 0.00 -0.37 0.00 0.00 57.07 57.89 2kha s TYR 92 Cb -0.10 0.17 -0.04 0.00 -0.40 0.00 0.00 41.96 41.59 2kha s TYR 92 CO 0.38 -0.39 -0.22 -0.98 -1.57 0.00 0.00 175.55 172.76 2kha s ARG 93 N -0.92 1.28 -0.96 -0.62 1.70 -1.25 -0.50 118.95 117.69 2kha s ARG 93 Ca -0.10 -1.31 -0.02 0.00 -0.47 0.00 0.00 55.73 53.83 2kha s ARG 93 Cb -0.04 -1.58 0.27 0.00 -0.57 0.00 0.00 34.95 33.03 2kha s ARG 93 CO 0.04 0.36 1.12 0.94 -1.08 0.00 0.00 175.30 176.68 2kha n GLN 94 N 0.77 3.52 -2.21 3.89 7.27 0.24 -4.75 117.38 126.10 2kha n GLN 94 Ca -0.17 -4.55 -0.27 0.00 0.07 0.00 0.00 57.00 52.08 2kha n GLN 94 Cb 0.54 -2.44 0.17 0.00 2.41 0.00 0.00 30.24 30.92 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 -1.07 3.39 -1.97 1.69 1.47 -1.26 -2.62 116.67 116.30 2kha s ASP 95 Ca 0.32 -0.10 0.00 0.00 1.18 0.00 0.00 52.55 53.95 2kha s ASP 95 Cb 0.02 0.01 0.00 0.00 -0.34 0.00 0.00 42.92 42.61 2kha s ASP 95 CO -0.00 -2.53 0.00 -3.20 0.68 0.00 0.00 175.17 170.12 2kha n ASN 96 N -3.47 -5.15 -4.92 2.11 5.15 -1.19 -4.92 115.26 102.87 2kha n ASN 96 Ca 0.17 0.46 -0.26 0.00 -0.60 0.00 0.00 54.58 54.34 2kha n ASN 96 Cb 0.60 -4.50 0.02 0.00 -0.53 0.00 0.00 39.78 35.36 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 -2.61 1.57 0.15 8.20 0.00 -0.88 -4.95 107.32 108.80 2kha s GLY 97 Ca 0.00 -0.71 -0.16 0.00 0.00 0.00 0.00 44.72 43.84 2kha s GLY 97 CO 0.00 -0.49 0.44 -1.83 0.00 0.00 0.00 173.10 171.22 2kha s GLU 98 N -4.84 1.17 0.21 2.90 -1.05 -1.26 -1.58 118.70 114.25 2kha s GLU 98 Ca 0.51 -0.76 -0.07 0.00 -0.15 0.00 0.00 54.97 54.49 2kha s GLU 98 Cb -0.10 0.49 -0.02 0.00 -0.44 0.00 0.00 34.13 34.05 2kha s GLU 98 CO 0.44 -0.47 0.31 -0.46 0.95 0.00 0.00 175.26 176.02 2kha s TRP 99 N -3.83 0.67 0.16 4.83 -0.00 -0.64 -4.92 118.94 115.22 2kha s TRP 99 Ca 0.05 -0.99 0.05 0.00 -0.00 0.00 0.00 56.10 55.22 2kha s TRP 99 Cb 0.01 -0.15 -0.04 0.00 -0.00 0.00 0.00 33.47 33.30 2kha s TRP 99 CO -0.09 -0.80 0.15 -0.08 -0.00 0.00 0.00 176.95 176.12 2kha s THR 100 N -4.06 4.55 -0.08 5.86 -1.32 -1.26 0.13 115.64 119.47 2kha s THR 100 Ca 0.28 -1.04 0.11 0.00 -1.21 0.00 0.00 61.69 59.83 2kha s THR 100 Cb 0.03 -3.32 0.17 0.00 -1.51 0.00 0.00 72.50 67.87 2kha s THR 100 CO 0.08 -0.10 1.06 0.52 -2.21 0.00 0.00 174.62 173.98 2kha n VAL 101 N -0.34 1.32 0.51 5.08 0.31 -0.59 -4.73 118.33 119.88 2kha n VAL 101 Ca -0.08 -1.55 0.08 0.00 -0.01 0.00 0.00 64.34 62.78 2kha n VAL 101 Cb 0.55 0.08 0.35 0.00 -0.91 0.00 0.00 33.84 33.91 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 -0.96 0.93 -4.37 2.52 -2.24 -1.26 -2.32 114.28 106.58 2kha n THR 102 Ca 0.10 0.23 -0.19 0.00 -2.27 0.00 0.00 64.05 61.92 2kha n THR 102 Cb 0.57 -1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 67.70 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 -3.05 1.40 -0.06 -0.78 2.02 -1.26 -4.67 118.70 112.30 2kha s GLU 103 Ca 0.07 -1.67 -0.01 0.00 0.02 0.00 0.00 54.97 53.38 2kha s GLU 103 Cb 0.10 -1.02 0.03 0.00 0.10 0.00 0.00 34.13 33.33 2kha s GLU 103 CO 0.30 0.08 -0.01 -0.06 0.02 0.00 0.00 175.26 175.58 2kha s PHE 104 N -3.08 0.67 0.15 1.61 0.08 -1.26 -4.47 117.98 111.68 2kha s PHE 104 Ca 0.26 -0.18 -0.00 0.00 0.12 0.00 0.00 56.93 57.13 2kha s PHE 104 Cb 0.02 -0.74 -0.04 0.00 -0.57 0.00 0.00 43.02 41.69 2kha s PHE 104 CO 0.09 -0.28 0.33 0.14 -0.10 0.00 0.00 175.22 175.40 2kha s VAL 105 N 1.59 5.26 0.63 -0.44 -7.23 0.48 0.25 120.40 120.93 2kha s VAL 105 Ca -0.01 -0.39 -0.15 0.00 -1.81 0.00 0.00 61.98 59.63 2kha s VAL 105 Cb -0.13 -3.70 -0.02 0.00 0.56 0.00 0.00 36.38 33.09 2kha s VAL 105 CO -0.04 -0.06 1.07 0.21 -0.31 0.00 0.00 175.10 175.98 2kha s ASN 106 N -2.95 5.50 0.46 4.85 2.47 1.09 -0.75 114.94 125.61 2kha s ASN 106 Ca 0.37 1.85 0.25 0.00 0.42 0.00 0.00 52.86 55.76 2kha s ASN 106 Cb -0.12 -2.53 1.37 0.00 -1.45 0.00 0.00 41.25 38.52 2kha s ASN 106 CO 0.28 -1.36 1.74 -0.33 -3.72 0.00 0.00 177.10 173.71 2kha h GLU 107 N 0.16 0.00 -0.03 0.43 5.08 -1.87 0.88 114.58 119.23 2kha h GLU 107 Ca -0.46 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.74 2kha h GLU 107 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2kha h GLU 107 CO 0.56 0.00 -0.68 0.22 -1.00 0.00 0.00 179.01 178.11 2kha h ASP 108 N 0.00 0.17 0.00 1.42 3.58 -1.95 -3.47 116.42 116.16 2kha h ASP 108 Ca 0.00 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.34 2kha h ASP 108 Cb 0.32 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.32 2kha h ASP 108 CO 0.00 0.79 0.00 0.61 -2.88 0.00 0.00 179.24 177.76 2kha n GLY 109 N 0.43 1.61 3.31 -0.78 0.00 0.30 -5.13 105.19 104.93 2kha n GLY 109 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 1.62 0.12 2.61 -4.23 -1.24 -4.84 115.64 107.69 2kha s THR 110 Ca 0.00 -2.01 -0.34 0.00 -1.18 0.00 0.00 61.69 58.16 2kha s THR 110 Cb 0.00 -1.86 -0.14 0.00 1.34 0.00 0.00 72.50 71.84 2kha s THR 110 CO 0.00 -0.49 1.57 -2.65 -0.54 0.00 0.00 174.62 172.51 2kha n PRO 111 N 0.02 2.01 -2.70 3.99 -0.02 -1.26 0.35 135.00 137.40 2kha n PRO 111 Ca -0.11 0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 2kha n PRO 111 Cb 0.59 -2.48 0.02 0.00 -0.02 0.00 0.00 33.50 31.60 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 3.60 5.87 -1.68 3.55 0.00 0.68 -4.62 120.51 127.91 2kha n ALA 112 Ca 0.18 -4.63 -0.45 0.00 0.00 0.00 0.00 53.44 48.53 2kha n ALA 112 Cb 0.27 -2.28 -0.04 0.00 0.00 0.00 0.00 19.45 17.41 2kha n ALA 112 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kha n ASP 113 N 0.47 3.70 0.00 0.00 -0.08 -1.26 -4.74 116.55 114.63 2kha n ASP 113 Ca 0.42 0.98 0.00 0.00 -1.51 0.00 0.00 54.79 54.68 2kha n ASP 113 Cb 0.28 -1.45 0.00 0.00 2.34 0.00 0.00 41.12 42.29 2kha n ASP 113 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2kha n THR 114 N 4.90 0.00 -2.66 5.18 -2.24 -1.26 -5.08 114.28 113.12 2kha n THR 114 Ca 0.20 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.89 2kha n THR 114 Cb 0.34 -0.21 0.05 0.00 -2.10 0.00 0.00 70.33 68.40 2kha n THR 114 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2kha n SER 115 N -1.88 -3.01 -3.87 3.42 7.64 -1.26 -3.99 113.62 110.66 2kha n SER 115 Ca 0.00 -0.36 -0.30 0.00 1.01 0.00 0.00 58.87 59.22 2kha n SER 115 Cb 0.06 -3.07 0.01 0.00 -1.01 0.00 0.00 64.21 60.20 2kha n SER 115 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kha n LEU 116 N -2.62 -1.41 -1.47 -3.43 -0.00 -1.26 -4.54 117.00 102.27 2kha n LEU 116 Ca -0.11 -1.06 0.09 0.00 -0.00 0.00 0.00 56.01 54.93 2kha n LEU 116 Cb 0.58 -1.60 -0.05 0.00 -0.00 0.00 0.00 43.42 42.35 2kha n LEU 116 CO 0.33 0.51 -0.56 -0.62 -0.00 0.00 0.00 177.39 177.05 2kha n GLU 117 N -3.25 -3.62 0.00 1.47 1.02 -1.26 -5.33 120.64 109.67 2kha n GLU 117 Ca -0.27 2.89 0.08 0.00 -0.02 0.00 0.00 57.16 59.84 2kha n GLU 117 Cb 0.66 -3.88 0.45 0.00 -0.02 0.00 0.00 31.44 28.66 2kha n GLU 117 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96