#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 1.89 0.28 2.61 5.04 -1.26 -5.12 117.35 120.79 2kha s TYR 7 Ca 0.00 -0.16 0.11 0.00 -2.44 0.00 0.00 57.07 54.57 2kha s TYR 7 Cb 0.00 -3.01 -0.05 0.00 0.35 0.00 0.00 41.96 39.25 2kha s TYR 7 CO 0.00 -1.58 -0.11 0.08 -1.34 0.00 0.00 175.55 172.60 2kha s VAL 8 N -3.11 2.81 0.29 3.14 1.01 -1.26 -4.95 120.40 118.33 2kha s VAL 8 Ca 0.65 -2.19 -0.29 0.00 0.00 0.00 0.00 61.98 60.15 2kha s VAL 8 Cb -0.06 -2.55 -0.10 0.00 0.00 0.00 0.00 36.38 33.66 2kha s VAL 8 CO 0.44 -0.36 1.35 0.54 0.00 0.00 0.00 175.10 177.07 2kha s VAL 9 N -2.45 2.75 0.12 2.92 0.11 -1.26 -5.01 120.40 117.58 2kha s VAL 9 Ca 0.31 0.69 -0.02 0.00 -2.93 0.00 0.00 61.98 60.03 2kha s VAL 9 Cb -0.05 -3.44 0.03 0.00 -1.53 0.00 0.00 36.38 31.39 2kha s VAL 9 CO 0.17 0.14 0.11 -0.81 -3.33 0.00 0.00 175.10 171.39 2kha n PRO 10 N 1.52 -1.16 -4.20 1.54 -0.04 -1.26 -4.86 135.00 126.53 2kha n PRO 10 Ca 0.03 -0.18 -0.34 0.00 -0.04 0.00 0.00 63.50 62.96 2kha n PRO 10 Cb 0.41 -0.17 -0.12 0.00 -0.04 0.00 0.00 33.50 33.59 2kha n PRO 10 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kha s SER 11 N -1.79 4.89 -0.53 3.54 0.15 -1.26 -4.72 113.70 113.98 2kha s SER 11 Ca 0.07 -0.14 -0.25 0.00 0.70 0.00 0.00 55.95 56.33 2kha s SER 11 Cb -0.01 -1.82 0.04 0.00 -1.71 0.00 0.00 66.02 62.52 2kha s SER 11 CO 0.06 0.12 0.95 0.00 1.20 0.00 0.00 173.24 175.56 2kha s ALA 12 N 0.67 3.17 -0.44 5.45 0.00 -1.25 -3.90 121.76 125.47 2kha s ALA 12 Ca -0.01 -1.11 -0.17 0.00 0.00 0.00 0.00 51.96 50.68 2kha s ALA 12 Cb -0.14 -3.73 0.04 0.00 0.00 0.00 0.00 23.12 19.29 2kha s ALA 12 CO 0.02 -2.32 0.43 0.21 0.00 0.00 0.00 175.76 174.11 2kha s LYS 13 N 3.95 3.05 0.18 0.00 2.47 0.28 -4.83 119.74 124.84 2kha s LYS 13 Ca 0.33 -0.94 0.04 0.00 -1.56 0.00 0.00 55.97 53.84 2kha s LYS 13 Cb -0.12 -4.02 -0.04 0.00 -1.46 0.00 0.00 37.83 32.20 2kha s LYS 13 CO 0.21 -0.92 0.23 -0.51 0.16 0.00 0.00 175.35 174.52 2kha s LEU 14 N 2.03 4.09 -0.00 5.43 1.02 -1.26 -0.31 118.68 129.68 2kha s LEU 14 Ca 0.10 0.01 0.01 0.00 0.02 0.00 0.00 54.13 54.26 2kha s LEU 14 Cb -0.19 -2.66 -0.00 0.00 0.02 0.00 0.00 46.19 43.35 2kha s LEU 14 CO 0.11 0.03 -0.04 -1.61 0.02 0.00 0.00 176.35 174.87 2kha s GLU 15 N -3.33 0.31 -0.66 1.70 0.41 0.06 -4.94 118.70 112.24 2kha s GLU 15 Ca 0.33 -0.17 -0.24 0.00 -0.41 0.00 0.00 54.97 54.49 2kha s GLU 15 Cb -0.10 -0.28 0.06 0.00 -1.78 0.00 0.00 34.13 32.03 2kha s GLU 15 CO 0.26 0.07 1.01 0.00 -0.49 0.00 0.00 175.26 176.12 2kha s ALA 16 N -0.17 3.06 0.32 5.21 0.00 -1.26 -2.08 121.76 126.84 2kha s ALA 16 Ca 0.01 -1.67 -0.28 0.00 0.00 0.00 0.00 51.96 50.02 2kha s ALA 16 Cb -0.02 -3.91 -0.09 0.00 0.00 0.00 0.00 23.12 19.10 2kha s ALA 16 CO -0.00 -2.80 1.08 0.42 0.00 0.00 0.00 175.76 174.46 2kha s ILE 17 N 4.32 3.57 -0.08 0.00 -1.09 -0.13 0.16 121.20 127.95 2kha s ILE 17 Ca 0.25 1.45 -0.03 0.00 -2.23 0.00 0.00 60.65 60.10 2kha s ILE 17 Cb -0.15 -3.87 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 2kha s ILE 17 CO 0.12 0.25 0.06 -0.47 -1.23 0.00 0.00 174.94 173.68 2kha s TYR 18 N -1.32 3.33 -2.52 3.97 5.04 -1.15 -2.40 117.35 122.30 2kha s TYR 18 Ca 0.49 0.31 0.24 0.00 -2.44 0.00 0.00 57.07 55.66 2kha s TYR 18 Cb -0.29 -1.83 0.62 0.00 0.35 0.00 0.00 41.96 40.81 2kha s TYR 18 CO 0.36 0.57 1.49 -0.35 -1.34 0.00 0.00 175.55 176.29 2kha n PRO 19 N 1.90 2.04 -3.13 4.97 -0.04 -1.26 -4.74 135.00 134.75 2kha n PRO 19 Ca -0.18 -1.54 0.03 0.00 -0.04 0.00 0.00 63.50 61.77 2kha n PRO 19 Cb 0.54 -1.46 -0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.80 0.50 -0.13 0.54 0.52 -1.16 -4.83 118.95 112.60 2kha s ARG 20 Ca 0.34 0.20 -0.34 0.00 -0.52 0.00 0.00 55.73 55.42 2kha s ARG 20 Cb 0.20 0.15 0.14 0.00 0.52 0.00 0.00 34.95 35.96 2kha s ARG 20 CO 0.30 -0.84 1.34 0.20 0.02 0.00 0.00 175.30 176.31 2kha s GLY 21 N 2.52 -0.37 0.01 -3.53 0.00 -1.01 -4.09 107.32 100.85 2kha s GLY 21 Ca 0.16 1.21 0.00 0.00 0.00 0.00 0.00 44.72 46.09 2kha s GLY 21 CO -0.20 0.33 -0.02 -2.27 0.00 0.00 0.00 173.10 170.94 2kha s LEU 22 N -2.62 2.09 -0.28 0.66 2.96 0.22 -0.96 118.68 120.76 2kha s LEU 22 Ca 0.13 -0.20 -0.02 0.00 -0.22 0.00 0.00 54.13 53.81 2kha s LEU 22 Cb 0.03 -0.03 0.09 0.00 0.50 0.00 0.00 46.19 46.78 2kha s LEU 22 CO -0.04 -0.09 0.10 -0.60 -1.32 0.00 0.00 176.35 174.39 2kha s ARG 23 N -0.56 0.52 0.21 1.98 3.52 -0.88 -0.40 118.95 123.33 2kha s ARG 23 Ca -0.05 -0.77 0.04 0.00 -0.13 0.00 0.00 55.73 54.83 2kha s ARG 23 Cb -0.04 -1.74 -0.03 0.00 -1.56 0.00 0.00 34.95 31.58 2kha s ARG 23 CO -0.00 -0.93 0.33 0.08 -0.81 0.00 0.00 175.30 173.96 2kha s VAL 24 N 1.83 5.23 -0.10 7.11 1.01 -1.03 -0.76 120.40 133.70 2kha s VAL 24 Ca 0.08 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.95 2kha s VAL 24 Cb -0.17 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 32.45 2kha s VAL 24 CO -0.26 -0.26 0.44 -0.44 0.00 0.00 0.00 175.10 174.58 2kha s SER 25 N -3.76 -0.40 -0.09 3.32 0.01 0.58 -2.02 113.70 111.34 2kha s SER 25 Ca 0.34 0.60 -0.04 0.00 1.31 0.00 0.00 55.95 58.16 2kha s SER 25 Cb -0.10 0.66 0.05 0.00 0.21 0.00 0.00 66.02 66.84 2kha s SER 25 CO 0.29 -0.33 0.19 0.27 0.41 0.00 0.00 173.24 174.07 2kha s ILE 26 N -0.52 -0.14 -0.69 1.44 -4.36 -1.00 0.10 121.20 116.03 2kha s ILE 26 Ca -0.06 0.22 -0.25 0.00 -0.26 0.00 0.00 60.65 60.30 2kha s ILE 26 Cb -0.03 -0.32 -0.13 0.00 1.25 0.00 0.00 42.46 43.23 2kha s ILE 26 CO 0.03 0.09 2.43 -0.81 0.24 0.00 0.00 174.94 176.92 2kha n PRO 27 N 4.59 0.69 -0.71 0.37 -0.04 -1.26 -2.17 135.00 136.47 2kha n PRO 27 Ca -0.19 -0.33 -0.31 0.00 -0.04 0.00 0.00 63.50 62.63 2kha n PRO 27 Cb 0.51 -3.19 0.17 0.00 -0.04 0.00 0.00 33.50 30.95 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 15.77 0.30 -2.73 3.54 2.03 -0.15 -4.61 116.55 130.70 2kha n ASP 28 Ca 0.46 0.43 -0.04 0.00 0.52 0.00 0.00 54.79 56.16 2kha n ASP 28 Cb 0.43 -1.47 0.07 0.00 -0.72 0.00 0.00 41.12 39.42 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 -4.09 0.42 -2.28 1.67 2.03 -1.26 -4.82 116.55 108.23 2kha n ASP 29 Ca 0.12 -2.33 -0.13 0.00 0.52 0.00 0.00 54.79 52.97 2kha n ASP 29 Cb 0.52 -0.04 0.05 0.00 -0.72 0.00 0.00 41.12 40.92 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 -0.62 0.09 1.09 0.27 0.00 -1.26 -5.01 105.19 99.75 2kha n GLY 30 Ca 0.01 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.85 -3.82 0.00 1.61 3.72 -1.26 -4.75 117.46 109.11 2kha n PHE 31 Ca -0.01 -0.37 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 2kha n PHE 31 Cb 0.54 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 2kha n PHE 31 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2kha n SER 32 N -3.18 2.07 -3.79 4.37 7.64 1.16 -4.89 113.62 117.00 2kha n SER 32 Ca 0.05 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.78 2kha n SER 32 Cb 0.16 0.26 -0.16 0.00 -1.01 0.00 0.00 64.21 63.47 2kha n SER 32 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2kha s LEU 33 N -2.00 1.28 -0.36 -3.43 2.96 -1.03 -4.51 118.68 111.59 2kha s LEU 33 Ca 0.00 0.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 2kha s LEU 33 Cb 0.00 -0.05 0.11 0.00 0.50 0.00 0.00 46.19 46.74 2kha s LEU 33 CO 0.00 -0.10 0.10 0.12 -1.32 0.00 0.00 176.35 175.14 2kha s PHE 34 N 0.83 3.07 -0.19 5.38 5.36 -0.86 0.98 117.98 132.56 2kha s PHE 34 Ca -0.07 -2.66 -0.18 0.00 -0.96 0.00 0.00 56.93 53.06 2kha s PHE 34 Cb -0.10 -2.54 -0.03 0.00 -0.34 0.00 0.00 43.02 40.00 2kha s PHE 34 CO -0.02 -0.90 0.51 0.00 -1.46 0.00 0.00 175.22 173.34 2kha s ALA 35 N 0.93 3.54 -0.17 11.12 0.00 0.50 -1.38 121.76 136.29 2kha s ALA 35 Ca 0.12 -0.39 -0.00 0.00 0.00 0.00 0.00 51.96 51.69 2kha s ALA 35 Cb -0.20 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.14 2kha s ALA 35 CO -0.11 -0.39 -0.15 0.12 0.00 0.00 0.00 175.76 175.23 2kha s PHE 36 N 1.51 2.80 -0.09 0.00 5.36 -0.34 0.12 117.98 127.34 2kha s PHE 36 Ca 0.24 -1.24 0.02 0.00 -0.96 0.00 0.00 56.93 54.99 2kha s PHE 36 Cb -0.15 -1.93 0.01 0.00 -0.34 0.00 0.00 43.02 40.61 2kha s PHE 36 CO 0.10 -0.60 -0.14 -1.58 -1.46 0.00 0.00 175.22 171.53 2kha s HIS 37 N 1.09 1.80 -0.12 10.12 2.46 -0.65 -1.54 115.29 128.45 2kha s HIS 37 Ca -0.00 -0.78 -0.29 0.00 0.47 0.00 0.00 55.06 54.45 2kha s HIS 37 Cb -0.14 -1.31 0.08 0.00 -0.13 0.00 0.00 32.58 31.08 2kha s HIS 37 CO -0.05 -0.40 0.72 0.20 -2.47 0.00 0.00 174.74 172.74 2kha s GLY 38 N 0.86 -0.54 -0.07 1.59 0.00 -0.54 -0.29 107.32 108.33 2kha s GLY 38 Ca -0.10 1.58 0.04 0.00 0.00 0.00 0.00 44.72 46.23 2kha s GLY 38 CO 0.01 1.18 -0.18 1.25 0.00 0.00 0.00 173.10 175.36 2kha s LYS 39 N -0.77 2.12 -0.59 2.90 2.20 0.16 0.16 119.74 125.92 2kha s LYS 39 Ca -0.07 -0.63 -0.28 0.00 -0.36 0.00 0.00 55.97 54.63 2kha s LYS 39 Cb -0.01 -1.73 0.03 0.00 -1.51 0.00 0.00 37.83 34.61 2kha s LYS 39 CO 0.07 0.16 1.21 -1.17 -0.36 0.00 0.00 175.35 175.26 2kha s LEU 40 N 0.32 3.43 -0.15 5.43 2.96 -1.26 -1.80 118.68 127.61 2kha s LEU 40 Ca -0.11 0.08 -0.00 0.00 -0.22 0.00 0.00 54.13 53.87 2kha s LEU 40 Cb -0.15 -3.12 -0.01 0.00 0.50 0.00 0.00 46.19 43.41 2kha s LEU 40 CO 0.05 -1.52 0.14 -3.20 -1.32 0.00 0.00 176.35 170.49 2kha n ASN 41 N 8.56 -2.90 0.00 3.68 2.85 0.13 -4.91 115.26 122.67 2kha n ASN 41 Ca 0.08 -0.06 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 2kha n ASN 41 Cb 0.49 -1.54 0.00 0.00 1.24 0.00 0.00 39.78 39.97 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 -1.44 0.00 -0.24 1.20 2.13 -1.26 -5.03 120.64 116.01 2kha n GLU 42 Ca -0.01 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.69 2kha n GLU 42 Cb 0.51 0.00 0.12 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 -1.85 -3.43 5.31 1.02 -1.26 -4.56 120.64 115.87 2kha n GLU 43 Ca 0.00 -0.59 0.01 0.00 -0.02 0.00 0.00 57.16 56.57 2kha n GLU 43 Cb 0.00 -0.96 -0.05 0.00 -0.02 0.00 0.00 31.44 30.41 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 -3.23 0.24 -0.67 3.49 0.23 -1.26 -4.96 119.30 113.13 2kha s MET 44 Ca 0.27 0.53 0.05 0.00 -1.03 0.00 0.00 55.69 55.51 2kha s MET 44 Cb -0.05 0.25 0.25 0.00 -1.53 0.00 0.00 34.83 33.76 2kha s MET 44 CO 0.23 -0.07 0.80 -3.47 -2.03 0.00 0.00 175.02 170.48 2kha n ASP 45 N 4.46 3.98 0.00 -1.18 -0.08 -1.26 -4.44 116.55 118.02 2kha n ASP 45 Ca -0.11 -3.45 0.00 0.00 -1.51 0.00 0.00 54.79 49.72 2kha n ASP 45 Cb 0.54 -0.72 0.00 0.00 2.34 0.00 0.00 41.12 43.29 2kha n ASP 45 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kha n GLY 46 N 0.89 -0.00 2.69 0.27 0.00 -1.26 -4.94 105.19 102.82 2kha n GLY 46 Ca 0.30 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 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 3.70 -4.77 0.99 4.77 -1.26 -4.95 117.00 115.48 2kha n LEU 47 Ca 0.00 -5.32 -0.37 0.00 -0.03 0.00 0.00 56.01 50.29 2kha n LEU 47 Cb 0.00 -0.25 -0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2kha n LEU 47 CO 0.00 2.26 0.83 -1.61 -1.33 0.00 0.00 177.39 177.54 2kha s GLU 48 N -3.29 3.67 0.61 3.23 0.41 -1.26 -4.89 118.70 117.18 2kha s GLU 48 Ca 0.46 1.79 0.29 0.00 -0.41 0.00 0.00 54.97 57.10 2kha s GLU 48 Cb 0.33 -2.35 1.53 0.00 -1.78 0.00 0.00 34.13 31.86 2kha s GLU 48 CO -0.13 -0.63 1.93 0.00 -0.49 0.00 0.00 175.26 175.94 2kha h ALA 49 N 1.92 1.92 -0.07 5.21 0.00 -2.00 -3.46 119.26 122.77 2kha h ALA 49 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2kha h ALA 49 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2kha h ALA 49 CO 0.60 -0.56 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2kha n GLY 50 N -1.42 1.39 0.62 0.00 0.00 -1.26 -4.61 105.19 99.91 2kha n GLY 50 Ca 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 14.00 0.00 -1.96 1.61 8.25 0.43 -4.85 115.22 132.69 2kha n HIS 51 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.22 2kha n HIS 51 Cb 0.00 0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.09 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 -0.55 1.71 -0.62 4.41 0.51 0.18 -4.75 118.94 119.82 2kha s TRP 52 Ca 0.00 0.87 0.03 0.00 -2.12 0.00 0.00 56.10 54.88 2kha s TRP 52 Cb 0.00 -3.92 0.15 0.00 -0.81 0.00 0.00 33.47 28.90 2kha s TRP 52 CO 0.00 -1.59 0.40 0.00 -0.51 0.00 0.00 176.95 175.25 2kha s ALA 53 N 11.21 3.59 0.02 0.98 0.00 -1.20 -1.47 121.76 134.88 2kha s ALA 53 Ca 0.74 -3.49 0.02 0.00 0.00 0.00 0.00 51.96 49.23 2kha s ALA 53 Cb -0.07 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.74 2kha s ALA 53 CO 0.03 -2.07 -0.07 0.50 0.00 0.00 0.00 175.76 174.15 2kha s ARG 54 N -0.70 0.55 -0.26 0.00 3.52 -0.59 -4.98 118.95 116.49 2kha s ARG 54 Ca 0.20 -0.45 -0.07 0.00 -0.13 0.00 0.00 55.73 55.29 2kha s ARG 54 Cb -0.17 -0.46 -0.01 0.00 -1.56 0.00 0.00 34.95 32.74 2kha s ARG 54 CO -0.06 0.11 0.05 0.34 -0.81 0.00 0.00 175.30 174.93 2kha s ASP 55 N -0.71 4.98 0.19 -2.12 -1.08 -1.26 -1.20 116.67 115.46 2kha s ASP 55 Ca -0.02 -0.37 -0.04 0.00 -0.52 0.00 0.00 52.55 51.60 2kha s ASP 55 Cb -0.05 -1.88 -0.05 0.00 -1.46 0.00 0.00 42.92 39.48 2kha s ASP 55 CO 0.00 -0.07 0.42 -0.63 0.52 0.00 0.00 175.17 175.40 2kha s ILE 56 N 1.56 5.14 -0.28 4.11 1.01 -0.48 -4.94 121.20 127.32 2kha s ILE 56 Ca 0.05 -0.05 0.21 0.00 0.00 0.00 0.00 60.65 60.87 2kha s ILE 56 Cb -0.15 -3.67 0.49 0.00 0.01 0.00 0.00 42.46 39.14 2kha s ILE 56 CO 0.02 -0.08 1.07 0.35 0.00 0.00 0.00 174.94 176.30 2kha n THR 57 N -0.30 1.17 0.00 2.92 -2.24 -1.26 -2.02 114.28 112.55 2kha n THR 57 Ca -0.03 -2.94 0.00 0.00 -2.27 0.00 0.00 64.05 58.82 2kha n THR 57 Cb 0.53 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 2kha n THR 57 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2kha n LYS 58 N -0.45 0.00 -0.26 -0.78 4.81 -1.26 -5.02 118.16 115.20 2kha n LYS 58 Ca 0.07 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.40 2kha n LYS 58 Cb 0.81 0.00 0.11 0.00 0.02 0.00 0.00 35.03 35.97 2kha n LYS 58 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2kha n PRO 59 N 0.00 -1.50 -0.06 1.64 -0.02 -1.26 -4.85 135.00 128.94 2kha n PRO 59 Ca 0.00 -0.54 -0.13 0.00 -2.02 0.00 0.00 63.50 60.81 2kha n PRO 59 Cb 0.00 -0.94 -0.05 0.00 -0.02 0.00 0.00 33.50 32.49 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 -1.91 0.28 -2.66 -0.52 0.00 -0.58 -4.90 118.16 107.87 2kha n LYS 60 Ca 0.05 0.11 -0.03 0.00 0.00 0.00 0.00 58.31 58.45 2kha n LYS 60 Cb 0.22 -1.00 0.04 0.00 0.00 0.00 0.00 35.03 34.28 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 -2.24 0.06 0.00 1.64 2.56 -1.26 -4.89 118.70 114.57 2kha s GLU 61 Ca -0.18 -0.06 0.00 0.00 0.00 0.00 0.00 54.97 54.73 2kha s GLU 61 Cb 0.07 -0.00 0.00 0.00 2.00 0.00 0.00 34.13 36.19 2kha s GLU 61 CO 0.24 -0.08 0.00 0.41 -0.56 0.00 0.00 175.26 175.27 2kha n GLY 62 N 2.60 0.49 3.50 -1.50 0.00 -1.26 -4.91 105.19 104.11 2kha n GLY 62 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.55 0.63 0.51 1.61 0.52 -1.26 -0.98 118.95 119.42 2kha s ARG 63 Ca 0.00 0.99 -0.17 0.00 -0.52 0.00 0.00 55.73 56.03 2kha s ARG 63 Cb 0.00 0.17 -0.08 0.00 0.52 0.00 0.00 34.95 35.56 2kha s ARG 63 CO 0.00 -0.13 0.98 -1.58 0.02 0.00 0.00 175.30 174.60 2kha s TRP 64 N 1.13 3.42 -0.07 -0.53 0.52 -0.92 -1.52 118.94 120.96 2kha s TRP 64 Ca -0.06 1.48 -0.01 0.00 0.02 0.00 0.00 56.10 57.53 2kha s TRP 64 Cb -0.06 -2.81 0.03 0.00 -1.15 0.00 0.00 33.47 29.48 2kha s TRP 64 CO -0.11 -0.37 -0.00 0.99 0.02 0.00 0.00 176.95 177.48 2kha s THR 65 N -2.57 0.41 -0.86 2.01 2.01 -1.26 -2.37 115.64 113.02 2kha s THR 65 Ca 0.59 0.10 -0.02 0.00 0.31 0.00 0.00 61.69 62.67 2kha s THR 65 Cb -0.10 -0.56 0.21 0.00 0.01 0.00 0.00 72.50 72.06 2kha s THR 65 CO 0.29 0.26 0.73 0.12 -0.69 0.00 0.00 174.62 175.34 2kha s PHE 66 N 1.93 3.83 -0.17 4.92 5.36 -0.86 -4.94 117.98 128.06 2kha s PHE 66 Ca 0.05 -2.96 -0.18 0.00 -0.96 0.00 0.00 56.93 52.88 2kha s PHE 66 Cb -0.12 -3.25 -0.04 0.00 -0.34 0.00 0.00 43.02 39.27 2kha s PHE 66 CO -0.05 -0.76 0.48 1.03 -1.46 0.00 0.00 175.22 174.45 2kha s ARG 67 N -1.14 4.25 -0.16 10.12 0.52 -1.26 -2.45 118.95 128.83 2kha s ARG 67 Ca 0.26 0.39 -0.04 0.00 -0.52 0.00 0.00 55.73 55.81 2kha s ARG 67 Cb -0.09 -3.50 0.06 0.00 0.52 0.00 0.00 34.95 31.93 2kha s ARG 67 CO -0.11 0.01 0.07 0.16 0.02 0.00 0.00 175.30 175.44 2kha s ASP 68 N 0.90 2.37 -0.13 0.23 -4.77 0.46 -4.96 116.67 110.77 2kha s ASP 68 Ca 0.24 -0.59 0.05 0.00 -3.30 0.00 0.00 52.55 48.95 2kha s ASP 68 Cb -0.15 -0.35 0.37 0.00 -1.09 0.00 0.00 42.92 41.69 2kha s ASP 68 CO 0.09 -0.32 1.16 0.54 0.70 0.00 0.00 175.17 177.34 2kha n ARG 69 N 5.20 2.53 -0.89 2.11 1.74 -1.26 0.72 116.66 126.81 2kha n ARG 69 Ca -0.07 -1.45 0.02 0.00 -0.77 0.00 0.00 57.85 55.58 2kha n ARG 69 Cb 0.49 -1.79 0.17 0.00 -1.02 0.00 0.00 32.46 30.30 2kha n ARG 69 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2kha n ASN 70 N 0.16 1.97 -4.48 0.55 2.85 -1.26 -4.52 115.26 110.54 2kha n ASN 70 Ca 0.16 -3.65 -0.34 0.00 -0.11 0.00 0.00 54.58 50.64 2kha n ASN 70 Cb 0.77 -0.48 -0.12 0.00 1.24 0.00 0.00 39.78 41.19 2kha n ASN 70 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kha s ALA 71 N -2.92 3.04 -1.27 5.20 0.00 -1.25 -5.01 121.76 119.55 2kha s ALA 71 Ca 0.39 -0.91 -0.13 0.00 0.00 0.00 0.00 51.96 51.31 2kha s ALA 71 Cb 0.38 -1.69 0.14 0.00 0.00 0.00 0.00 23.12 21.94 2kha s ALA 71 CO -0.07 0.01 1.70 1.17 0.00 0.00 0.00 175.76 178.57 2kha n LYS 72 N 3.93 3.38 -2.58 0.00 4.81 -1.26 -3.23 118.16 123.20 2kha n LYS 72 Ca -0.17 -3.54 -0.31 0.00 -0.87 0.00 0.00 58.31 53.41 2kha n LYS 72 Cb 0.52 -3.09 -0.03 0.00 0.02 0.00 0.00 35.03 32.44 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 1.46 3.71 0.03 3.14 1.43 -1.26 -5.09 118.68 122.10 2kha s LEU 73 Ca 0.44 1.39 0.04 0.00 -1.03 0.00 0.00 54.13 54.97 2kha s LEU 73 Cb 0.04 -4.31 -0.02 0.00 0.03 0.00 0.00 46.19 41.93 2kha s LEU 73 CO 0.01 -0.51 -0.13 -0.75 0.23 0.00 0.00 176.35 175.20 2kha s LYS 74 N -3.97 0.89 0.16 1.70 2.20 -1.26 -4.98 119.74 114.47 2kha s LYS 74 Ca 0.56 -0.66 -0.31 0.00 -0.36 0.00 0.00 55.97 55.20 2kha s LYS 74 Cb -0.10 -0.87 -0.09 0.00 -1.51 0.00 0.00 37.83 35.26 2kha s LYS 74 CO 0.31 0.22 1.43 -1.17 -0.36 0.00 0.00 175.35 175.78 2kha s LEU 75 N -0.93 4.38 0.00 5.43 1.98 -1.25 -2.52 118.68 125.76 2kha s LEU 75 Ca 0.01 2.47 0.00 0.00 -2.89 0.00 0.00 54.13 53.72 2kha s LEU 75 Cb -0.07 -3.60 0.00 0.00 0.66 0.00 0.00 46.19 43.18 2kha s LEU 75 CO 0.01 -0.69 0.00 0.61 -1.89 0.00 0.00 176.35 174.39 2kha n GLY 76 N 3.19 3.11 3.65 7.98 0.00 -0.67 -4.89 105.19 117.56 2kha n GLY 76 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 0.14 0.14 -4.80 1.61 -0.08 -1.05 -4.64 116.55 107.88 2kha n ASP 77 Ca 0.00 0.41 -0.22 0.00 -1.51 0.00 0.00 54.79 53.47 2kha n ASP 77 Cb 0.00 -1.46 -0.05 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 -4.55 2.59 0.05 -0.67 2.20 -1.26 -1.47 119.74 116.63 2kha s LYS 78 Ca 0.66 -1.39 0.07 0.00 -0.36 0.00 0.00 55.97 54.96 2kha s LYS 78 Cb -0.23 -2.36 -0.03 0.00 -1.51 0.00 0.00 37.83 33.71 2kha s LYS 78 CO 0.59 0.11 -0.19 0.42 -0.36 0.00 0.00 175.35 175.92 2kha s ILE 79 N -2.35 1.55 -0.08 5.43 -1.09 0.25 0.22 121.20 125.14 2kha s ILE 79 Ca 0.39 -1.23 -0.04 0.00 -2.23 0.00 0.00 60.65 57.55 2kha s ILE 79 Cb -0.05 -1.37 0.04 0.00 -1.58 0.00 0.00 42.46 39.50 2kha s ILE 79 CO 0.25 0.10 0.17 -0.31 -1.23 0.00 0.00 174.94 173.93 2kha s TYR 80 N -0.89 -0.21 0.23 3.97 1.51 -0.74 -2.35 117.35 118.87 2kha s TYR 80 Ca 0.06 0.56 -0.10 0.00 -1.01 0.00 0.00 57.07 56.58 2kha s TYR 80 Cb -0.09 -0.03 0.04 0.00 -0.11 0.00 0.00 41.96 41.77 2kha s TYR 80 CO 0.02 -0.18 0.54 1.97 -1.11 0.00 0.00 175.55 176.79 2kha n PHE 81 N 4.11 -1.74 -3.69 2.71 -1.74 -1.03 0.36 117.46 116.43 2kha n PHE 81 Ca -0.25 -1.13 -0.11 0.00 -0.56 0.00 0.00 57.45 55.40 2kha n PHE 81 Cb 0.53 0.56 -0.10 0.00 1.52 0.00 0.00 39.48 41.99 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 -4.38 -0.65 0.15 2.97 1.48 0.60 0.05 118.94 119.17 2kha s TRP 82 Ca 0.11 1.41 0.07 0.00 -1.06 0.00 0.00 56.10 56.64 2kha s TRP 82 Cb -0.03 0.29 -0.04 0.00 -1.16 0.00 0.00 33.47 32.53 2kha s TRP 82 CO 0.07 -0.34 -0.04 0.95 -4.06 0.00 0.00 176.95 173.52 2kha s THR 83 N 1.06 3.55 0.00 0.66 -4.23 -1.07 -1.63 115.64 113.97 2kha s THR 83 Ca -0.06 -1.41 0.02 0.00 -1.18 0.00 0.00 61.69 59.05 2kha s THR 83 Cb -0.06 -2.74 -0.01 0.00 1.34 0.00 0.00 72.50 71.03 2kha s THR 83 CO -0.09 -0.05 -0.05 -0.47 -0.54 0.00 0.00 174.62 173.42 2kha s TYR 84 N -1.59 0.44 0.22 3.99 5.04 0.32 0.47 117.35 126.25 2kha s TYR 84 Ca 0.25 -0.12 0.05 0.00 -2.44 0.00 0.00 57.07 54.82 2kha s TYR 84 Cb -0.10 -0.28 -0.05 0.00 0.35 0.00 0.00 41.96 41.88 2kha s TYR 84 CO 0.17 -0.02 -0.06 0.54 -1.34 0.00 0.00 175.55 174.84 2kha s VAL 85 N -0.24 1.36 -0.21 3.14 0.11 0.17 0.19 120.40 124.92 2kha s VAL 85 Ca 0.01 -2.10 -0.04 0.00 -2.93 0.00 0.00 61.98 56.92 2kha s VAL 85 Cb -0.03 -2.22 0.07 0.00 -1.53 0.00 0.00 36.38 32.67 2kha s VAL 85 CO -0.00 -0.45 0.08 -0.63 -3.33 0.00 0.00 175.10 170.77 2kha s ILE 86 N -3.20 0.20 -0.98 7.04 -1.09 0.28 -2.11 121.20 121.32 2kha s ILE 86 Ca 0.25 -0.51 -0.02 0.00 -2.23 0.00 0.00 60.65 58.14 2kha s ILE 86 Cb 0.03 -0.90 0.30 0.00 -1.58 0.00 0.00 42.46 40.32 2kha s ILE 86 CO 0.08 -0.38 1.37 1.17 -1.23 0.00 0.00 174.94 175.94 2kha n LYS 87 N 5.16 4.18 -2.84 2.79 0.00 -0.97 0.37 118.16 126.84 2kha n LYS 87 Ca -0.07 -4.60 -0.05 0.00 0.00 0.00 0.00 58.31 53.59 2kha n LYS 87 Cb 0.46 -2.45 0.02 0.00 0.00 0.00 0.00 35.03 33.07 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 1.07 -6.36 -1.21 3.14 -0.08 -1.26 -3.55 116.55 108.30 2kha n ASP 88 Ca 0.29 -0.28 -0.11 0.00 -1.51 0.00 0.00 54.79 53.18 2kha n ASP 88 Cb 0.34 -4.47 -0.01 0.00 2.34 0.00 0.00 41.12 39.33 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 0.05 2.39 0.27 0.00 -1.26 -4.96 105.19 100.19 2kha n GLY 89 Ca -0.02 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.54 -0.81 -4.92 0.99 4.77 -1.23 -5.13 117.00 109.13 2kha n LEU 90 Ca -0.13 -4.23 -0.26 0.00 -0.03 0.00 0.00 56.01 51.36 2kha n LEU 90 Cb 0.57 0.64 -0.01 0.00 -2.33 0.00 0.00 43.42 42.29 2kha n LEU 90 CO 0.15 1.96 0.32 -0.83 -1.33 0.00 0.00 177.39 177.67 2kha s GLY 91 N -0.50 1.51 -0.02 -0.72 0.00 -1.25 -2.30 107.32 104.05 2kha s GLY 91 Ca 0.33 -0.63 -0.19 0.00 0.00 0.00 0.00 44.72 44.23 2kha s GLY 91 CO -0.15 -0.51 0.41 -0.19 0.00 0.00 0.00 173.10 172.66 2kha s TYR 92 N -2.50 -0.30 0.08 1.90 1.51 -0.90 -4.94 117.35 112.20 2kha s TYR 92 Ca 0.45 0.47 0.06 0.00 -1.01 0.00 0.00 57.07 57.03 2kha s TYR 92 Cb -0.10 0.18 -0.03 0.00 -0.11 0.00 0.00 41.96 41.90 2kha s TYR 92 CO 0.39 -0.46 -0.16 -0.98 -1.11 0.00 0.00 175.55 173.23 2kha s ARG 93 N -1.41 0.90 -0.98 -0.62 1.70 -1.25 -0.66 118.95 116.64 2kha s ARG 93 Ca -0.12 -1.01 -0.03 0.00 -0.47 0.00 0.00 55.73 54.09 2kha s ARG 93 Cb -0.03 -0.99 0.27 0.00 -0.57 0.00 0.00 34.95 33.63 2kha s ARG 93 CO 0.05 0.22 1.11 0.94 -1.08 0.00 0.00 175.30 176.54 2kha n GLN 94 N 1.23 3.49 -1.52 3.89 7.27 0.18 -4.79 117.38 127.12 2kha n GLN 94 Ca -0.21 -4.53 -0.29 0.00 0.07 0.00 0.00 57.00 52.04 2kha n GLN 94 Cb 0.54 -2.46 0.16 0.00 2.41 0.00 0.00 30.24 30.89 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 -0.69 3.04 -1.72 1.69 1.47 -1.26 -2.60 116.67 116.60 2kha s ASP 95 Ca 0.31 0.81 0.00 0.00 1.18 0.00 0.00 52.55 54.85 2kha s ASP 95 Cb -0.01 -1.25 0.00 0.00 -0.34 0.00 0.00 42.92 41.33 2kha s ASP 95 CO -0.02 -2.83 0.00 -3.20 0.68 0.00 0.00 175.17 169.81 2kha n ASN 96 N -3.92 -5.40 -4.62 2.11 5.15 -1.17 -4.91 115.26 102.50 2kha n ASN 96 Ca 0.09 0.40 -0.29 0.00 -0.60 0.00 0.00 54.58 54.18 2kha n ASN 96 Cb 0.59 -4.33 0.19 0.00 -0.53 0.00 0.00 39.78 35.70 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 -2.67 1.61 -0.04 8.20 0.00 0.11 -4.86 107.32 109.66 2kha s GLY 97 Ca 0.00 0.08 -0.22 0.00 0.00 0.00 0.00 44.72 44.59 2kha s GLY 97 CO 0.00 0.65 0.48 -1.83 0.00 0.00 0.00 173.10 172.39 2kha s GLU 98 N -4.67 0.82 0.18 2.90 -1.05 -1.26 -2.46 118.70 113.15 2kha s GLU 98 Ca 0.66 0.06 -0.14 0.00 -0.15 0.00 0.00 54.97 55.41 2kha s GLU 98 Cb -0.22 0.38 0.01 0.00 -0.44 0.00 0.00 34.13 33.86 2kha s GLU 98 CO 0.60 -0.24 0.41 -0.46 0.95 0.00 0.00 175.26 176.53 2kha s TRP 99 N -1.15 0.10 0.31 4.83 -0.00 -0.99 -4.95 118.94 117.09 2kha s TRP 99 Ca -0.11 -0.45 0.09 0.00 -0.00 0.00 0.00 56.10 55.62 2kha s TRP 99 Cb -0.03 0.19 -0.05 0.00 -0.00 0.00 0.00 33.47 33.58 2kha s TRP 99 CO 0.06 -0.82 0.03 -0.08 -0.00 0.00 0.00 176.95 176.14 2kha s THR 100 N -3.91 2.98 -0.04 5.86 -1.32 -1.26 0.87 115.64 118.83 2kha s THR 100 Ca 0.12 -1.91 0.05 0.00 -1.21 0.00 0.00 61.69 58.74 2kha s THR 100 Cb 0.01 -2.83 0.08 0.00 -1.51 0.00 0.00 72.50 68.26 2kha s THR 100 CO -0.02 -0.26 0.94 0.52 -2.21 0.00 0.00 174.62 173.58 2kha n VAL 101 N -0.96 0.77 0.22 5.08 0.31 -0.55 -4.74 118.33 118.47 2kha n VAL 101 Ca -0.05 -0.88 0.18 0.00 -0.01 0.00 0.00 64.34 63.58 2kha n VAL 101 Cb 0.61 0.39 0.85 0.00 -0.91 0.00 0.00 33.84 34.79 2kha n VAL 101 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2kha h THR 102 N 2.53 0.37 -4.46 2.52 1.35 -1.82 -1.78 112.91 111.61 2kha h THR 102 Ca 0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 66.41 65.60 2kha h THR 102 Cb 0.99 0.81 -0.13 0.00 -1.73 0.00 0.00 68.15 68.10 2kha h THR 102 CO 0.00 0.00 -0.47 -1.61 -0.25 0.00 0.00 175.52 173.19 2kha s GLU 103 N -4.53 1.44 0.06 4.72 2.02 -1.26 -4.32 118.70 116.83 2kha s GLU 103 Ca -0.04 -1.66 0.04 0.00 0.02 0.00 0.00 54.97 53.32 2kha s GLU 103 Cb 0.14 0.33 -0.03 0.00 0.10 0.00 0.00 34.13 34.68 2kha s GLU 103 CO 0.50 -0.52 -0.11 -0.06 0.02 0.00 0.00 175.26 175.09 2kha s PHE 104 N -3.87 0.97 0.47 1.61 0.40 -1.26 -4.38 117.98 111.91 2kha s PHE 104 Ca 0.36 -0.48 0.07 0.00 -0.60 0.00 0.00 56.93 56.28 2kha s PHE 104 Cb 0.04 -0.56 0.03 0.00 0.51 0.00 0.00 43.02 43.04 2kha s PHE 104 CO 0.16 -0.01 0.64 0.14 0.70 0.00 0.00 175.22 176.85 2kha s VAL 105 N -1.33 2.83 0.23 -0.44 -7.23 0.41 0.10 120.40 114.97 2kha s VAL 105 Ca -0.06 -0.93 -0.07 0.00 -1.81 0.00 0.00 61.98 59.11 2kha s VAL 105 Cb -0.10 -2.90 -0.06 0.00 0.56 0.00 0.00 36.38 33.88 2kha s VAL 105 CO 0.01 0.00 0.51 0.21 -0.31 0.00 0.00 175.10 175.53 2kha s ASN 106 N -4.41 6.55 0.46 4.85 2.47 1.24 -2.92 114.94 123.18 2kha s ASN 106 Ca 0.56 0.79 0.25 0.00 0.42 0.00 0.00 52.86 54.89 2kha s ASN 106 Cb -0.09 -2.17 1.35 0.00 -1.45 0.00 0.00 41.25 38.88 2kha s ASN 106 CO 0.35 -0.08 1.73 -0.33 -3.72 0.00 0.00 177.10 175.05 2kha h GLU 107 N 2.37 0.00 0.00 0.43 5.08 -1.85 0.68 114.58 121.29 2kha h GLU 107 Ca -0.47 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.77 2kha h GLU 107 Cb 1.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2kha h GLU 107 CO 0.69 0.00 -0.56 0.22 -1.00 0.00 0.00 179.01 178.37 2kha h ASP 108 N 0.00 0.00 0.00 1.42 3.58 -2.00 -3.47 116.42 115.95 2kha h ASP 108 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kha h ASP 108 Cb 0.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.38 2kha h ASP 108 CO 0.00 0.56 0.00 0.61 -2.88 0.00 0.00 179.24 177.53 2kha n GLY 109 N 0.18 1.66 3.14 -0.78 0.00 0.24 -5.13 105.19 104.49 2kha n GLY 109 Ca -0.01 0.00 -0.09 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 0.21 0.05 2.61 -4.23 -1.22 -4.88 115.64 106.17 2kha s THR 110 Ca 0.00 -1.88 -0.38 0.00 -1.18 0.00 0.00 61.69 58.25 2kha s THR 110 Cb 0.00 -1.86 -0.19 0.00 1.34 0.00 0.00 72.50 71.79 2kha s THR 110 CO 0.00 -0.66 1.14 -2.65 -0.54 0.00 0.00 174.62 171.91 2kha n PRO 111 N -0.03 0.43 -1.60 3.99 -0.02 -1.26 0.39 135.00 136.90 2kha n PRO 111 Ca -0.09 0.16 -0.45 0.00 -2.02 0.00 0.00 63.50 61.10 2kha n PRO 111 Cb 0.63 -1.68 -0.04 0.00 -0.02 0.00 0.00 33.50 32.39 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 1.76 1.54 -2.55 3.55 0.00 0.28 -4.35 120.51 120.74 2kha n ALA 112 Ca 0.19 -0.08 -0.30 0.00 0.00 0.00 0.00 53.44 53.25 2kha n ALA 112 Cb 0.13 -2.78 -0.10 0.00 0.00 0.00 0.00 19.45 16.70 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 7.02 4.28 -0.59 0.00 -1.08 -1.26 -4.91 116.67 120.12 2kha s ASP 113 Ca 0.99 -0.39 -0.01 0.00 -0.52 0.00 0.00 52.55 52.62 2kha s ASP 113 Cb -0.47 -0.80 0.45 0.00 -1.46 0.00 0.00 42.92 40.64 2kha s ASP 113 CO 0.40 0.20 2.01 0.35 0.52 0.00 0.00 175.17 178.65 2kha n THR 114 N 0.91 3.45 -0.53 1.71 -2.24 -1.26 -5.00 114.28 111.32 2kha n THR 114 Ca -0.14 -2.62 -0.29 0.00 -2.27 0.00 0.00 64.05 58.73 2kha n THR 114 Cb 0.52 -1.09 0.23 0.00 -2.10 0.00 0.00 70.33 67.90 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 -0.79 -1.48 -2.70 3.42 7.64 -1.26 -5.03 113.62 113.42 2kha n SER 115 Ca 0.58 -0.06 -0.04 0.00 1.01 0.00 0.00 58.87 60.37 2kha n SER 115 Cb 0.79 -1.27 0.03 0.00 -1.01 0.00 0.00 64.21 62.75 2kha n SER 115 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2kha n LEU 116 N -4.47 -2.18 -3.45 -3.43 -0.00 -1.26 -5.11 117.00 97.10 2kha n LEU 116 Ca 0.04 -1.73 -0.24 0.00 -0.00 0.00 0.00 56.01 54.09 2kha n LEU 116 Cb 0.54 0.63 -0.11 0.00 -0.00 0.00 0.00 43.42 44.48 2kha n LEU 116 CO 0.55 1.48 -0.26 -0.70 -0.00 0.00 0.00 177.39 178.46 2kha s GLU 117 N 0.89 0.43 0.00 1.96 2.12 -1.26 -5.36 118.70 117.48 2kha s GLU 117 Ca 0.26 -0.78 0.15 0.00 0.36 0.00 0.00 54.97 54.95 2kha s GLU 117 Cb 0.09 -1.01 0.88 0.00 0.26 0.00 0.00 34.13 34.35 2kha s GLU 117 CO -0.09 -1.12 1.30 -0.35 -0.54 0.00 0.00 175.26 174.46