#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 1.32 0.57 1.08 5.04 -1.26 -5.05 117.35 119.06 2kha s TYR 7 Ca 0.00 1.16 0.07 0.00 -2.44 0.00 0.00 57.07 55.86 2kha s TYR 7 Cb 0.00 -3.09 0.07 0.00 0.35 0.00 0.00 41.96 39.29 2kha s TYR 7 CO 0.00 -3.95 0.59 0.54 -1.34 0.00 0.00 175.55 171.39 2kha s VAL 8 N -2.45 1.79 0.16 3.14 0.11 -1.26 -4.95 120.40 116.94 2kha s VAL 8 Ca 0.69 -1.28 -0.28 0.00 -2.93 0.00 0.00 61.98 58.17 2kha s VAL 8 Cb -0.25 -2.06 -0.07 0.00 -1.53 0.00 0.00 36.38 32.46 2kha s VAL 8 CO 0.65 0.00 0.89 0.54 -3.33 0.00 0.00 175.10 173.85 2kha s VAL 9 N -2.75 4.33 0.58 2.04 0.11 -1.26 -4.96 120.40 118.49 2kha s VAL 9 Ca 0.46 1.96 -0.10 0.00 -2.93 0.00 0.00 61.98 61.37 2kha s VAL 9 Cb -0.04 -4.27 0.15 0.00 -1.53 0.00 0.00 36.38 30.69 2kha s VAL 9 CO 0.29 0.43 0.49 -2.65 -3.33 0.00 0.00 175.10 170.33 2kha n PRO 10 N 2.05 -2.19 -3.81 1.54 -0.02 -1.26 -4.87 135.00 126.44 2kha n PRO 10 Ca -0.01 -0.78 -0.36 0.00 -2.02 0.00 0.00 63.50 60.32 2kha n PRO 10 Cb 0.48 -0.77 -0.13 0.00 -0.02 0.00 0.00 33.50 33.07 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 -2.81 4.85 -0.55 2.55 0.15 -1.26 -4.73 113.70 111.90 2kha s SER 11 Ca 0.32 -0.40 -0.28 0.00 0.70 0.00 0.00 55.95 56.29 2kha s SER 11 Cb -0.04 -1.85 0.02 0.00 -1.71 0.00 0.00 66.02 62.44 2kha s SER 11 CO 0.25 -0.07 1.38 0.00 1.20 0.00 0.00 173.24 176.00 2kha s ALA 12 N 1.54 2.86 -0.48 5.45 0.00 -1.25 -4.14 121.76 125.74 2kha s ALA 12 Ca 0.05 -0.65 -0.20 0.00 0.00 0.00 0.00 51.96 51.16 2kha s ALA 12 Cb -0.15 -4.08 0.04 0.00 0.00 0.00 0.00 23.12 18.93 2kha s ALA 12 CO 0.01 -2.84 0.65 0.21 0.00 0.00 0.00 175.76 173.78 2kha s LYS 13 N 5.37 3.19 0.29 0.00 2.36 0.26 -4.81 119.74 126.40 2kha s LYS 13 Ca 0.52 -0.66 0.02 0.00 -2.55 0.00 0.00 55.97 53.29 2kha s LYS 13 Cb -0.10 -4.04 -0.03 0.00 -1.05 0.00 0.00 37.83 32.60 2kha s LYS 13 CO 0.26 -1.15 0.47 -0.51 1.55 0.00 0.00 175.35 175.96 2kha s LEU 14 N 2.77 4.14 -0.06 5.43 1.02 -1.26 -1.09 118.68 129.63 2kha s LEU 14 Ca 0.19 0.33 -0.05 0.00 0.02 0.00 0.00 54.13 54.62 2kha s LEU 14 Cb -0.17 -3.15 0.02 0.00 0.02 0.00 0.00 46.19 42.91 2kha s LEU 14 CO 0.15 -0.19 0.15 -1.61 0.02 0.00 0.00 176.35 174.87 2kha s GLU 15 N -4.07 0.16 -0.62 1.70 8.01 0.21 -4.94 118.70 119.15 2kha s GLU 15 Ca 0.38 0.26 -0.24 0.00 0.01 0.00 0.00 54.97 55.38 2kha s GLU 15 Cb -0.10 0.01 0.05 0.00 -4.31 0.00 0.00 34.13 29.79 2kha s GLU 15 CO 0.33 -0.06 0.99 0.00 0.01 0.00 0.00 175.26 176.52 2kha s ALA 16 N 0.39 3.10 0.19 5.21 0.00 -1.26 -2.00 121.76 127.39 2kha s ALA 16 Ca -0.03 -1.52 -0.30 0.00 0.00 0.00 0.00 51.96 50.11 2kha s ALA 16 Cb -0.04 -3.84 -0.08 0.00 0.00 0.00 0.00 23.12 19.16 2kha s ALA 16 CO -0.02 -2.65 1.18 0.42 0.00 0.00 0.00 175.76 174.69 2kha s ILE 17 N 4.18 3.59 -0.00 0.00 -1.09 -1.12 0.12 121.20 126.87 2kha s ILE 17 Ca 0.27 1.36 -0.12 0.00 -2.23 0.00 0.00 60.65 59.93 2kha s ILE 17 Cb -0.14 -3.87 -0.05 0.00 -1.58 0.00 0.00 42.46 36.82 2kha s ILE 17 CO 0.15 0.23 0.35 -0.47 -1.23 0.00 0.00 174.94 173.97 2kha s TYR 18 N -0.16 3.67 -2.08 3.97 6.14 -1.22 -1.48 117.35 126.19 2kha s TYR 18 Ca 0.52 0.85 0.26 0.00 0.64 0.00 0.00 57.07 59.34 2kha s TYR 18 Cb -0.32 -2.18 0.68 0.00 0.42 0.00 0.00 41.96 40.56 2kha s TYR 18 CO 0.37 0.64 1.52 -0.35 0.64 0.00 0.00 175.55 178.37 2kha n PRO 19 N 1.62 1.22 -3.14 4.97 -0.04 -1.26 -4.82 135.00 133.55 2kha n PRO 19 Ca -0.14 -0.80 0.03 0.00 -0.04 0.00 0.00 63.50 62.55 2kha n PRO 19 Cb 0.53 -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 -0.98 -0.04 0.00 0.00 175.50 174.48 2kha s ARG 20 N -2.33 0.59 0.02 0.54 1.70 -1.02 -4.85 118.95 113.61 2kha s ARG 20 Ca 0.27 0.12 -0.02 0.00 -0.47 0.00 0.00 55.73 55.63 2kha s ARG 20 Cb 0.20 0.15 0.01 0.00 -0.57 0.00 0.00 34.95 34.73 2kha s ARG 20 CO 0.46 -0.96 0.11 0.41 -1.08 0.00 0.00 175.30 174.24 2kha n GLY 21 N 4.82 1.20 3.45 3.88 0.00 -0.55 -4.20 105.19 113.79 2kha n GLY 21 Ca 0.08 -0.94 -0.16 0.00 0.00 0.00 0.00 46.02 45.00 2kha n GLY 21 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kha s LEU 22 N 0.00 -0.24 -0.23 0.99 2.96 0.24 -2.81 118.68 119.59 2kha s LEU 22 Ca 0.03 0.69 -0.03 0.00 -0.22 0.00 0.00 54.13 54.60 2kha s LEU 22 Cb -0.00 2.15 0.10 0.00 0.50 0.00 0.00 46.19 48.94 2kha s LEU 22 CO 0.01 -0.48 0.22 -0.60 -1.32 0.00 0.00 176.35 174.17 2kha s ARG 23 N -0.87 0.21 0.22 1.98 3.52 -0.85 -1.36 118.95 121.81 2kha s ARG 23 Ca -0.09 0.03 0.07 0.00 -0.13 0.00 0.00 55.73 55.61 2kha s ARG 23 Cb -0.02 -1.12 -0.04 0.00 -1.56 0.00 0.00 34.95 32.21 2kha s ARG 23 CO 0.07 -0.78 0.08 0.08 -0.81 0.00 0.00 175.30 173.94 2kha s VAL 24 N 2.30 4.00 -0.09 7.11 1.01 -0.91 -0.61 120.40 133.21 2kha s VAL 24 Ca 0.07 -1.49 -0.22 0.00 0.00 0.00 0.00 61.98 60.34 2kha s VAL 24 Cb -0.15 -3.10 0.05 0.00 0.00 0.00 0.00 36.38 33.17 2kha s VAL 24 CO -0.19 -0.26 0.52 -0.44 0.00 0.00 0.00 175.10 174.72 2kha s SER 25 N -3.45 -0.48 -0.04 3.32 0.01 -0.25 -1.63 113.70 111.18 2kha s SER 25 Ca 0.31 0.64 -0.02 0.00 1.31 0.00 0.00 55.95 58.19 2kha s SER 25 Cb -0.08 0.65 0.03 0.00 0.21 0.00 0.00 66.02 66.83 2kha s SER 25 CO 0.22 -0.42 0.09 0.27 0.41 0.00 0.00 173.24 173.81 2kha s ILE 26 N -0.75 -0.05 -0.47 1.44 -4.36 -1.01 0.93 121.20 116.93 2kha s ILE 26 Ca -0.08 0.19 -0.26 0.00 -0.26 0.00 0.00 60.65 60.23 2kha s ILE 26 Cb -0.03 -0.16 -0.06 0.00 1.25 0.00 0.00 42.46 43.46 2kha s ILE 26 CO 0.05 0.08 2.30 -2.84 0.24 0.00 0.00 174.94 174.77 2kha s PRO 27 N 1.07 2.32 0.54 0.37 0.02 -1.26 -2.11 135.00 135.96 2kha s PRO 27 Ca -0.09 1.39 -0.20 0.00 0.02 0.00 0.00 61.00 62.12 2kha s PRO 27 Cb -0.12 -4.52 -0.06 0.00 0.02 0.00 0.00 34.50 29.82 2kha s PRO 27 CO -0.04 -3.03 1.14 0.34 -0.33 0.00 0.00 177.00 175.07 2kha s ASP 28 N 11.06 5.68 -0.30 2.53 2.15 0.15 -4.63 116.67 133.31 2kha s ASP 28 Ca 0.94 2.21 0.15 0.00 0.43 0.00 0.00 52.55 56.28 2kha s ASP 28 Cb -0.19 -2.58 0.48 0.00 -0.30 0.00 0.00 42.92 40.33 2kha s ASP 28 CO 0.27 -1.25 1.11 -0.67 -0.17 0.00 0.00 175.17 174.46 2kha n ASP 29 N -1.29 2.98 -1.74 -0.34 2.03 -1.26 -4.71 116.55 112.21 2kha n ASP 29 Ca 0.12 -2.87 -0.07 0.00 0.52 0.00 0.00 54.79 52.48 2kha n ASP 29 Cb 0.51 -0.44 0.03 0.00 -0.72 0.00 0.00 41.12 40.49 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 -0.53 0.27 0.59 0.27 0.00 -1.26 -5.06 105.19 99.48 2kha n GLY 30 Ca 0.23 -0.31 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.63 -3.58 0.00 1.61 3.72 -1.26 -4.77 117.46 110.54 2kha n PHE 31 Ca -0.06 -0.23 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 2kha n PHE 31 Cb 0.54 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 2kha n PHE 31 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2kha n SER 32 N -3.04 2.84 -3.84 4.37 3.41 0.90 -4.89 113.62 113.37 2kha n SER 32 Ca 0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.51 2kha n SER 32 Cb 0.09 0.31 -0.13 0.00 -0.26 0.00 0.00 64.21 64.22 2kha n SER 32 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2kha s LEU 33 N -2.62 1.65 -0.31 1.04 2.96 -1.03 -4.21 118.68 116.16 2kha s LEU 33 Ca 0.00 0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 54.06 2kha s LEU 33 Cb 0.00 0.33 0.10 0.00 0.50 0.00 0.00 46.19 47.12 2kha s LEU 33 CO 0.00 -0.05 0.11 0.12 -1.32 0.00 0.00 176.35 175.21 2kha s PHE 34 N -0.03 1.49 -0.31 5.38 5.36 0.34 0.79 117.98 131.00 2kha s PHE 34 Ca -0.01 -1.61 -0.13 0.00 -0.96 0.00 0.00 56.93 54.21 2kha s PHE 34 Cb -0.01 -1.59 -0.03 0.00 -0.34 0.00 0.00 43.02 41.05 2kha s PHE 34 CO 0.00 -0.87 0.29 0.00 -1.46 0.00 0.00 175.22 173.18 2kha s ALA 35 N 1.67 3.52 -0.25 11.12 0.00 0.42 -1.74 121.76 136.50 2kha s ALA 35 Ca 0.10 -1.11 -0.08 0.00 0.00 0.00 0.00 51.96 50.86 2kha s ALA 35 Cb -0.17 -2.66 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 2kha s ALA 35 CO -0.26 -0.80 0.09 0.12 0.00 0.00 0.00 175.76 174.91 2kha s PHE 36 N 1.90 3.11 -0.13 0.00 5.36 0.30 -0.04 117.98 128.48 2kha s PHE 36 Ca 0.10 -0.31 0.01 0.00 -0.96 0.00 0.00 56.93 55.77 2kha s PHE 36 Cb -0.16 -2.26 -0.01 0.00 -0.34 0.00 0.00 43.02 40.25 2kha s PHE 36 CO 0.11 -0.31 -0.18 -1.01 -1.46 0.00 0.00 175.22 172.37 2kha s HIS 37 N 1.62 2.71 -0.23 10.12 3.76 -0.62 -0.58 115.29 132.08 2kha s HIS 37 Ca 0.06 -0.90 -0.15 0.00 -0.15 0.00 0.00 55.06 53.93 2kha s HIS 37 Cb -0.15 -1.81 0.07 0.00 1.11 0.00 0.00 32.58 31.80 2kha s HIS 37 CO 0.05 -0.36 0.57 0.20 -0.85 0.00 0.00 174.74 174.35 2kha s GLY 38 N 0.47 -0.48 -0.01 -2.22 0.00 -0.24 -0.22 107.32 104.62 2kha s GLY 38 Ca -0.12 1.94 0.01 0.00 0.00 0.00 0.00 44.72 46.54 2kha s GLY 38 CO 0.05 1.93 0.03 1.25 0.00 0.00 0.00 173.10 176.36 2kha s LYS 39 N 1.24 2.89 -0.24 2.90 2.20 0.11 0.15 119.74 128.99 2kha s LYS 39 Ca -0.07 -0.56 -0.12 0.00 -0.36 0.00 0.00 55.97 54.86 2kha s LYS 39 Cb -0.06 -2.74 -0.05 0.00 -1.51 0.00 0.00 37.83 33.47 2kha s LYS 39 CO -0.13 0.64 0.21 -1.17 -0.36 0.00 0.00 175.35 174.54 2kha s LEU 40 N -1.58 4.12 -0.90 5.43 2.96 -1.26 -2.10 118.68 125.34 2kha s LEU 40 Ca 0.20 0.18 -0.00 0.00 -0.22 0.00 0.00 54.13 54.29 2kha s LEU 40 Cb -0.12 -2.18 0.00 0.00 0.50 0.00 0.00 46.19 44.39 2kha s LEU 40 CO 0.11 0.03 0.75 -3.20 -1.32 0.00 0.00 176.35 172.73 2kha n ASN 41 N 4.37 -2.24 0.00 3.68 4.05 -1.00 -5.01 115.26 119.11 2kha n ASN 41 Ca -0.14 -0.46 0.00 0.00 0.45 0.00 0.00 54.58 54.44 2kha n ASN 41 Cb 0.52 -3.94 0.00 0.00 1.23 0.00 0.00 39.78 37.58 2kha n ASN 41 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 2kha n GLU 42 N -3.37 0.00 -0.19 1.20 2.13 -1.26 -5.06 120.64 114.09 2kha n GLU 42 Ca -0.20 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.49 2kha n GLU 42 Cb 0.62 0.00 0.13 0.00 0.27 0.00 0.00 31.44 32.46 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 -2.31 -3.87 5.31 1.02 -1.26 -4.65 120.64 114.88 2kha n GLU 43 Ca 0.00 -0.62 -0.10 0.00 -0.02 0.00 0.00 57.16 56.42 2kha n GLU 43 Cb 0.00 -0.95 -0.08 0.00 -0.02 0.00 0.00 31.44 30.39 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 -3.44 0.73 -0.31 3.49 -1.94 -1.26 -4.98 119.30 111.59 2kha s MET 44 Ca 0.29 -0.78 0.18 0.00 -1.71 0.00 0.00 55.69 53.66 2kha s MET 44 Cb -0.05 0.30 0.47 0.00 2.01 0.00 0.00 34.83 37.55 2kha s MET 44 CO 0.24 -0.21 1.16 -3.47 -0.01 0.00 0.00 175.02 172.73 2kha n ASP 45 N 0.42 0.63 0.00 3.03 2.03 -1.26 -4.82 116.55 116.58 2kha n ASP 45 Ca -0.17 -2.31 0.00 0.00 0.52 0.00 0.00 54.79 52.83 2kha n ASP 45 Cb 0.60 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 2kha n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kha n GLY 46 N -0.60 -0.60 2.59 0.27 0.00 -1.26 -5.04 105.19 100.56 2kha n GLY 46 Ca 0.02 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 2kha n GLY 46 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kha n LEU 47 N 0.00 2.60 -4.90 0.99 4.77 -1.26 -4.99 117.00 114.21 2kha n LEU 47 Ca 0.00 -5.15 -0.34 0.00 -0.03 0.00 0.00 56.01 50.49 2kha n LEU 47 Cb 0.00 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 40.61 2kha n LEU 47 CO 0.00 1.91 -0.11 -1.61 -1.33 0.00 0.00 177.39 176.25 2kha s GLU 48 N -1.64 3.50 0.40 3.23 2.02 -1.26 -4.99 118.70 119.97 2kha s GLU 48 Ca 0.32 -0.22 0.19 0.00 0.02 0.00 0.00 54.97 55.29 2kha s GLU 48 Cb 0.06 -3.08 1.12 0.00 0.10 0.00 0.00 34.13 32.33 2kha s GLU 48 CO -0.11 0.65 1.78 0.00 0.02 0.00 0.00 175.26 177.60 2kha h ALA 49 N 3.83 2.27 -0.79 5.21 0.00 -1.99 -3.45 119.26 124.34 2kha h ALA 49 Ca -0.49 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2kha h ALA 49 Cb 1.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2kha h ALA 49 CO 0.68 -0.66 0.00 0.41 0.00 0.00 0.00 179.25 179.68 2kha n GLY 50 N -1.49 2.00 1.16 0.00 0.00 -1.26 -4.40 105.19 101.21 2kha n GLY 50 Ca 0.25 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 3.26 -0.38 -1.74 1.61 -0.00 0.40 -4.74 115.22 113.64 2kha n HIS 51 Ca 0.00 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 57.80 2kha n HIS 51 Cb 0.00 0.29 -0.03 0.00 -0.12 0.00 0.00 29.99 30.13 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 1.31 -0.77 1.57 0.51 0.18 -4.74 118.94 116.42 2kha s TRP 52 Ca 0.00 1.20 0.03 0.00 -2.12 0.00 0.00 56.10 55.21 2kha s TRP 52 Cb 0.00 -3.80 0.22 0.00 -0.81 0.00 0.00 33.47 29.08 2kha s TRP 52 CO 0.00 -2.56 0.72 0.00 -0.51 0.00 0.00 176.95 174.59 2kha n ALA 53 N 14.36 3.83 -2.54 0.98 0.00 -1.18 -1.08 120.51 134.89 2kha n ALA 53 Ca 0.30 -4.64 -0.41 0.00 0.00 0.00 0.00 53.44 48.69 2kha n ALA 53 Cb 0.53 -1.28 -0.09 0.00 0.00 0.00 0.00 19.45 18.61 2kha n ALA 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2kha s ARG 54 N -1.82 3.49 -0.53 0.00 3.00 0.25 -4.89 118.95 118.46 2kha s ARG 54 Ca 0.30 -0.43 -0.04 0.00 -1.00 0.00 0.00 55.73 54.56 2kha s ARG 54 Cb 0.01 -3.83 0.14 0.00 0.00 0.00 0.00 34.95 31.26 2kha s ARG 54 CO -0.10 -0.61 0.35 0.16 0.00 0.00 0.00 175.30 175.11 2kha s ASP 55 N 1.75 5.37 0.12 -2.12 -4.77 -1.26 0.11 116.67 115.88 2kha s ASP 55 Ca 0.13 -2.39 0.03 0.00 -3.30 0.00 0.00 52.55 47.02 2kha s ASP 55 Cb -0.16 -1.88 -0.04 0.00 -1.09 0.00 0.00 42.92 39.75 2kha s ASP 55 CO 0.12 -0.49 0.15 -0.63 0.70 0.00 0.00 175.17 175.02 2kha s ILE 56 N 0.62 4.74 0.00 2.11 1.01 -0.71 -4.95 121.20 124.02 2kha s ILE 56 Ca 0.12 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.93 2kha s ILE 56 Cb -0.22 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 38.88 2kha s ILE 56 CO -0.04 -0.01 0.07 0.35 0.00 0.00 0.00 174.94 175.32 2kha n THR 57 N -0.07 0.00 -3.78 2.92 -2.24 -1.26 -0.51 114.28 109.35 2kha n THR 57 Ca -0.08 -0.47 -0.23 0.00 -2.27 0.00 0.00 64.05 61.00 2kha n THR 57 Cb 0.53 1.01 -0.18 0.00 -2.10 0.00 0.00 70.33 69.60 2kha n THR 57 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2kha s LYS 58 N -0.80 0.63 0.00 -0.78 1.02 -1.26 -4.51 119.74 114.04 2kha s LYS 58 Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 55.97 56.09 2kha s LYS 58 Cb 0.00 -0.98 0.00 0.00 -0.52 0.00 0.00 37.83 36.33 2kha s LYS 58 CO 0.00 -0.30 0.00 -2.30 -0.92 0.00 0.00 175.35 171.83 2kha n PRO 59 N 5.13 -0.39 -0.00 -1.68 -0.02 -1.26 -4.89 135.00 131.89 2kha n PRO 59 Ca -0.07 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.40 2kha n PRO 59 Cb 0.50 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.98 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 -1.02 0.02 -2.67 -0.52 3.00 -0.01 -4.88 118.16 112.08 2kha n LYS 60 Ca 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 58.31 58.30 2kha n LYS 60 Cb 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 35.03 34.29 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 -2.01 0.07 0.00 1.64 2.56 -1.26 -4.90 118.70 114.80 2kha s GLU 61 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.97 54.90 2kha s GLU 61 Cb 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 34.13 36.13 2kha s GLU 61 CO 0.01 -0.09 0.00 0.41 -0.56 0.00 0.00 175.26 175.03 2kha n GLY 62 N 2.83 1.76 3.45 -1.50 0.00 -1.26 -4.90 105.19 105.57 2kha n GLY 62 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 2kha n GLY 62 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kha s ARG 63 N -0.08 0.96 0.29 1.61 3.03 -1.26 0.32 118.95 123.82 2kha s ARG 63 Ca 0.00 0.16 -0.12 0.00 2.03 0.00 0.00 55.73 57.81 2kha s ARG 63 Cb 0.00 0.45 -0.08 0.00 -1.03 0.00 0.00 34.95 34.29 2kha s ARG 63 CO 0.00 -0.29 0.66 -1.58 -1.13 0.00 0.00 175.30 172.96 2kha s TRP 64 N -1.19 3.41 -0.06 5.89 0.52 -0.90 -0.83 118.94 125.78 2kha s TRP 64 Ca -0.11 1.03 -0.01 0.00 0.02 0.00 0.00 56.10 57.02 2kha s TRP 64 Cb -0.01 -2.39 0.03 0.00 -1.15 0.00 0.00 33.47 29.94 2kha s TRP 64 CO 0.08 0.14 -0.00 0.99 0.02 0.00 0.00 176.95 178.18 2kha s THR 65 N -1.97 0.38 0.16 2.01 2.01 -1.26 -2.41 115.64 114.57 2kha s THR 65 Ca 0.51 0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.65 2kha s THR 65 Cb -0.11 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 2kha s THR 65 CO 0.21 0.25 0.03 0.12 -0.69 0.00 0.00 174.62 174.54 2kha s PHE 66 N 1.76 2.94 -0.09 4.92 5.36 -0.65 -4.97 117.98 127.25 2kha s PHE 66 Ca 0.02 -0.09 -0.03 0.00 -0.96 0.00 0.00 56.93 55.86 2kha s PHE 66 Cb -0.13 -1.44 0.05 0.00 -0.34 0.00 0.00 43.02 41.17 2kha s PHE 66 CO -0.04 0.51 0.15 1.03 -1.46 0.00 0.00 175.22 175.41 2kha s ARG 67 N -2.89 0.03 -0.36 10.12 0.52 -1.26 -2.14 118.95 122.97 2kha s ARG 67 Ca 0.28 0.48 0.04 0.00 -0.52 0.00 0.00 55.73 56.01 2kha s ARG 67 Cb -0.10 -0.45 0.11 0.00 0.52 0.00 0.00 34.95 35.03 2kha s ARG 67 CO 0.20 -0.35 0.09 0.34 0.02 0.00 0.00 175.30 175.59 2kha s ASP 68 N 2.27 4.61 -0.13 0.23 2.15 -0.46 -4.93 116.67 120.41 2kha s ASP 68 Ca 0.04 -2.24 0.05 0.00 0.43 0.00 0.00 52.55 50.83 2kha s ASP 68 Cb -0.12 -1.55 0.36 0.00 -0.30 0.00 0.00 42.92 41.31 2kha s ASP 68 CO -0.06 -0.36 1.17 -2.11 -0.17 0.00 0.00 175.17 173.64 2kha n ARG 69 N 4.13 2.49 -0.95 4.34 0.00 -1.26 0.80 116.66 126.21 2kha n ARG 69 Ca 0.04 -1.44 0.05 0.00 -0.00 0.00 0.00 57.85 56.50 2kha n ARG 69 Cb 0.40 -1.78 0.09 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 0.15 1.25 -4.26 2.89 3.02 -1.26 -4.66 115.26 112.39 2kha n ASN 70 Ca 0.17 -2.76 -0.42 0.00 -0.03 0.00 0.00 54.58 51.53 2kha n ASN 70 Cb 0.78 -0.38 -0.08 0.00 -0.61 0.00 0.00 39.78 39.49 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 -1.37 3.46 -1.14 5.41 0.00 -1.25 -4.99 121.76 121.88 2kha s ALA 71 Ca 0.31 -2.46 -0.20 0.00 0.00 0.00 0.00 51.96 49.61 2kha s ALA 71 Cb 0.33 -2.95 -0.05 0.00 0.00 0.00 0.00 23.12 20.45 2kha s ALA 71 CO -0.10 -1.89 1.93 1.17 0.00 0.00 0.00 175.76 176.87 2kha n LYS 72 N 5.03 2.12 -3.41 0.00 3.00 -1.26 -3.70 118.16 119.93 2kha n LYS 72 Ca -0.10 -2.50 -0.37 0.00 -0.00 0.00 0.00 58.31 55.34 2kha n LYS 72 Cb 0.41 -3.39 -0.06 0.00 0.00 0.00 0.00 35.03 31.99 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 5.49 4.43 0.06 3.14 1.43 -1.26 -5.09 118.68 126.88 2kha s LEU 73 Ca 0.59 1.05 0.07 0.00 -1.03 0.00 0.00 54.13 54.81 2kha s LEU 73 Cb 0.07 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.35 2kha s LEU 73 CO 0.09 0.23 -0.20 -0.75 0.23 0.00 0.00 176.35 175.95 2kha s LYS 74 N -1.46 1.25 0.46 1.70 2.47 -1.26 -4.96 119.74 117.94 2kha s LYS 74 Ca 0.30 -0.98 -0.23 0.00 -1.56 0.00 0.00 55.97 53.51 2kha s LYS 74 Cb -0.16 -1.39 -0.09 0.00 -1.46 0.00 0.00 37.83 34.72 2kha s LYS 74 CO 0.17 0.34 0.99 1.28 0.16 0.00 0.00 175.35 178.30 2kha n LEU 75 N 1.64 2.78 0.00 5.43 4.32 -1.24 -2.21 117.00 127.73 2kha n LEU 75 Ca -0.18 0.99 0.00 0.00 -0.02 0.00 0.00 56.01 56.80 2kha n LEU 75 Cb 0.54 -1.36 0.00 0.00 -1.62 0.00 0.00 43.42 40.98 2kha n LEU 75 CO 0.23 -1.57 0.00 0.61 -1.22 0.00 0.00 177.39 175.44 2kha n GLY 76 N 1.21 2.74 3.74 -0.72 0.00 -1.26 -4.83 105.19 106.07 2kha n GLY 76 Ca 0.10 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 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 0.37 4.90 0.39 1.61 -1.08 -0.94 -4.78 116.67 117.15 2kha s ASP 77 Ca 0.00 2.56 0.08 0.00 -0.52 0.00 0.00 52.55 54.66 2kha s ASP 77 Cb 0.00 -2.61 -0.03 0.00 -1.46 0.00 0.00 42.92 38.82 2kha s ASP 77 CO 0.00 -1.80 0.30 -0.75 0.52 0.00 0.00 175.17 173.44 2kha s LYS 78 N -3.30 2.51 0.05 4.34 2.20 -1.26 -1.19 119.74 123.10 2kha s LYS 78 Ca 0.79 -1.53 0.07 0.00 -0.36 0.00 0.00 55.97 54.95 2kha s LYS 78 Cb -0.35 -2.32 -0.03 0.00 -1.51 0.00 0.00 37.83 33.62 2kha s LYS 78 CO 0.38 -0.08 -0.20 0.42 -0.36 0.00 0.00 175.35 175.51 2kha s ILE 79 N -2.45 1.65 -0.08 5.43 1.09 0.29 -2.37 121.20 124.76 2kha s ILE 79 Ca 0.44 -1.25 -0.04 0.00 -1.10 0.00 0.00 60.65 58.70 2kha s ILE 79 Cb -0.03 -1.45 0.04 0.00 -1.06 0.00 0.00 42.46 39.96 2kha s ILE 79 CO 0.26 0.15 0.18 -0.31 -0.10 0.00 0.00 174.94 175.13 2kha s TYR 80 N -0.87 -0.23 0.30 3.97 2.02 -0.89 -1.98 117.35 119.67 2kha s TYR 80 Ca 0.07 0.60 -0.11 0.00 -0.37 0.00 0.00 57.07 57.26 2kha s TYR 80 Cb -0.09 -0.04 0.04 0.00 -0.40 0.00 0.00 41.96 41.48 2kha s TYR 80 CO 0.02 -0.19 0.60 1.97 -1.57 0.00 0.00 175.55 176.38 2kha n PHE 81 N 4.24 -2.04 -3.69 2.71 1.16 -1.03 0.04 117.46 118.84 2kha n PHE 81 Ca -0.26 -1.42 -0.11 0.00 -1.87 0.00 0.00 57.45 53.79 2kha n PHE 81 Cb 0.52 0.71 -0.10 0.00 -1.61 0.00 0.00 39.48 39.00 2kha n PHE 81 CO 0.00 0.00 0.00 1.67 -1.87 0.00 0.00 176.76 176.56 2kha s TRP 82 N -3.79 -0.62 0.37 2.97 1.48 0.69 -1.54 118.94 118.51 2kha s TRP 82 Ca 0.12 1.40 0.07 0.00 -1.06 0.00 0.00 56.10 56.62 2kha s TRP 82 Cb -0.04 0.27 -0.00 0.00 -1.16 0.00 0.00 33.47 32.54 2kha s TRP 82 CO 0.09 -0.32 0.51 0.95 -4.06 0.00 0.00 176.95 174.12 2kha s THR 83 N 0.85 3.73 -0.24 0.66 -4.23 -1.04 -1.59 115.64 113.78 2kha s THR 83 Ca -0.05 -0.97 -0.02 0.00 -1.18 0.00 0.00 61.69 59.47 2kha s THR 83 Cb -0.05 -3.28 0.13 0.00 1.34 0.00 0.00 72.50 70.63 2kha s THR 83 CO -0.07 -0.12 0.35 -0.47 -0.54 0.00 0.00 174.62 173.77 2kha s TYR 84 N -2.26 -0.72 0.41 3.99 5.04 0.95 -1.88 117.35 122.88 2kha s TYR 84 Ca 0.48 0.63 0.08 0.00 -2.44 0.00 0.00 57.07 55.82 2kha s TYR 84 Cb -0.10 -0.09 -0.00 0.00 0.35 0.00 0.00 41.96 42.12 2kha s TYR 84 CO 0.32 -0.73 0.48 0.14 -1.34 0.00 0.00 175.55 174.42 2kha s VAL 85 N 2.50 2.94 -0.28 3.14 -7.23 0.15 0.16 120.40 121.78 2kha s VAL 85 Ca 0.11 -1.14 -0.02 0.00 -1.81 0.00 0.00 61.98 59.12 2kha s VAL 85 Cb -0.15 -3.03 0.12 0.00 0.56 0.00 0.00 36.38 33.88 2kha s VAL 85 CO -0.17 -0.01 0.23 -0.63 -0.31 0.00 0.00 175.10 174.20 2kha s ILE 86 N -2.39 -0.28 -1.15 -0.62 -1.09 0.24 -2.13 121.20 113.78 2kha s ILE 86 Ca 0.51 -0.51 -0.03 0.00 -2.23 0.00 0.00 60.65 58.39 2kha s ILE 86 Cb -0.07 -0.93 0.25 0.00 -1.58 0.00 0.00 42.46 40.12 2kha s ILE 86 CO 0.31 -0.51 1.95 1.17 -1.23 0.00 0.00 174.94 176.63 2kha n LYS 87 N 5.29 4.91 -2.83 2.79 4.81 -0.95 0.31 118.16 132.50 2kha n LYS 87 Ca -0.04 -4.19 -0.09 0.00 -0.87 0.00 0.00 58.31 53.12 2kha n LYS 87 Cb 0.45 -2.56 0.04 0.00 0.02 0.00 0.00 35.03 32.98 2kha n LYS 87 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2kha n ASP 88 N 1.00 -5.89 -0.27 3.14 2.03 -1.26 -3.64 116.55 111.66 2kha n ASP 88 Ca 0.48 -0.42 -0.03 0.00 0.52 0.00 0.00 54.79 55.35 2kha n ASP 88 Cb 0.27 -4.24 -0.00 0.00 -0.72 0.00 0.00 41.12 36.43 2kha n ASP 88 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kha n GLY 89 N -1.37 0.36 2.31 0.27 0.00 -1.26 -4.98 105.19 100.51 2kha n GLY 89 Ca -0.04 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.35 -0.43 -4.83 0.99 4.77 -1.24 -5.13 117.00 110.78 2kha n LEU 90 Ca -0.03 -4.41 -0.31 0.00 -0.03 0.00 0.00 56.01 51.23 2kha n LEU 90 Cb 0.39 0.66 0.05 0.00 -2.33 0.00 0.00 43.42 42.18 2kha n LEU 90 CO 0.04 2.03 0.71 -0.83 -1.33 0.00 0.00 177.39 178.01 2kha s GLY 91 N -1.05 1.66 -0.15 -0.72 0.00 -1.25 -2.23 107.32 103.58 2kha s GLY 91 Ca 0.34 0.02 -0.16 0.00 0.00 0.00 0.00 44.72 44.93 2kha s GLY 91 CO -0.14 0.34 0.44 -0.19 0.00 0.00 0.00 173.10 173.54 2kha s TYR 92 N -3.08 -0.47 0.05 1.90 2.02 -0.90 -4.91 117.35 111.95 2kha s TYR 92 Ca 0.58 1.12 0.09 0.00 -0.37 0.00 0.00 57.07 58.48 2kha s TYR 92 Cb -0.14 0.17 -0.03 0.00 -0.40 0.00 0.00 41.96 41.56 2kha s TYR 92 CO 0.55 -0.25 -0.24 -0.98 -1.57 0.00 0.00 175.55 173.06 2kha s ARG 93 N 0.11 1.63 -0.96 -0.62 1.70 -1.25 0.33 118.95 119.90 2kha s ARG 93 Ca -0.01 -1.05 -0.01 0.00 -0.47 0.00 0.00 55.73 54.19 2kha s ARG 93 Cb -0.03 -1.79 0.30 0.00 -0.57 0.00 0.00 34.95 32.85 2kha s ARG 93 CO 0.01 0.46 1.30 0.94 -1.08 0.00 0.00 175.30 176.93 2kha n GLN 94 N 1.80 4.01 -1.78 3.89 7.27 -0.79 -4.72 117.38 127.05 2kha n GLN 94 Ca -0.17 -4.60 -0.30 0.00 0.07 0.00 0.00 57.00 52.01 2kha n GLN 94 Cb 0.52 -2.44 0.17 0.00 2.41 0.00 0.00 30.24 30.91 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 -2.00 3.06 -1.57 1.69 1.47 -1.26 -2.51 116.67 115.55 2kha s ASP 95 Ca 0.34 0.45 0.00 0.00 1.18 0.00 0.00 52.55 54.52 2kha s ASP 95 Cb 0.08 -0.63 0.00 0.00 -0.34 0.00 0.00 42.92 42.04 2kha s ASP 95 CO 0.07 -2.78 0.00 -3.20 0.68 0.00 0.00 175.17 169.94 2kha n ASN 96 N -3.83 -5.46 -4.83 2.11 5.15 -1.20 -4.91 115.26 102.29 2kha n ASN 96 Ca 0.13 0.37 -0.30 0.00 -0.60 0.00 0.00 54.58 54.18 2kha n ASN 96 Cb 0.60 -4.26 0.08 0.00 -0.53 0.00 0.00 39.78 35.67 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 -2.60 1.62 0.00 8.20 0.00 -0.59 -4.93 107.32 109.03 2kha s GLY 97 Ca 0.00 -0.25 -0.21 0.00 0.00 0.00 0.00 44.72 44.27 2kha s GLY 97 CO 0.00 0.17 0.46 -1.83 0.00 0.00 0.00 173.10 171.90 2kha s GLU 98 N -5.22 0.89 0.15 2.90 -1.05 -1.26 -2.46 118.70 112.66 2kha s GLU 98 Ca 0.60 -0.14 -0.10 0.00 -0.15 0.00 0.00 54.97 55.18 2kha s GLU 98 Cb -0.13 0.40 -0.00 0.00 -0.44 0.00 0.00 34.13 33.96 2kha s GLU 98 CO 0.53 -0.28 0.30 -0.46 0.95 0.00 0.00 175.26 176.30 2kha s TRP 99 N -1.78 0.27 0.24 4.83 -0.00 -0.84 -4.95 118.94 116.71 2kha s TRP 99 Ca -0.09 -0.64 0.07 0.00 -0.00 0.00 0.00 56.10 55.44 2kha s TRP 99 Cb -0.02 0.01 -0.04 0.00 -0.00 0.00 0.00 33.47 33.42 2kha s TRP 99 CO 0.03 -0.71 0.15 -0.08 -0.00 0.00 0.00 176.95 176.33 2kha s THR 100 N -3.93 4.25 -0.13 5.86 -1.32 -1.26 0.10 115.64 119.21 2kha s THR 100 Ca 0.14 -1.45 0.01 0.00 -1.21 0.00 0.00 61.69 59.18 2kha s THR 100 Cb 0.03 -3.27 -0.00 0.00 -1.51 0.00 0.00 72.50 67.75 2kha s THR 100 CO -0.03 -0.31 0.29 0.52 -2.21 0.00 0.00 174.62 172.88 2kha n VAL 101 N -0.98 0.00 0.67 5.08 0.31 -0.33 -4.63 118.33 118.45 2kha n VAL 101 Ca -0.08 -0.48 0.07 0.00 -0.01 0.00 0.00 64.34 63.84 2kha n VAL 101 Cb 0.58 1.02 0.35 0.00 -0.91 0.00 0.00 33.84 34.88 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 -0.50 0.57 -4.07 2.52 -2.24 -1.26 -3.58 114.28 105.72 2kha n THR 102 Ca 0.01 0.14 -0.13 0.00 -2.27 0.00 0.00 64.05 61.80 2kha n THR 102 Cb 0.03 -0.91 -0.12 0.00 -2.10 0.00 0.00 70.33 67.23 2kha n THR 102 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2kha s GLU 103 N -2.52 0.51 0.04 -0.78 2.56 -1.26 -4.78 118.70 112.48 2kha s GLU 103 Ca 0.14 -0.70 0.03 0.00 0.00 0.00 0.00 54.97 54.44 2kha s GLU 103 Cb 0.09 -0.29 -0.02 0.00 2.00 0.00 0.00 34.13 35.91 2kha s GLU 103 CO 0.21 0.05 -0.10 -0.06 -0.56 0.00 0.00 175.26 174.80 2kha s PHE 104 N -1.27 0.87 0.41 5.30 0.40 -1.26 -4.12 117.98 118.31 2kha s PHE 104 Ca -0.09 -0.43 0.06 0.00 -0.60 0.00 0.00 56.93 55.87 2kha s PHE 104 Cb -0.09 -0.51 0.01 0.00 0.51 0.00 0.00 43.02 42.93 2kha s PHE 104 CO 0.00 -0.02 0.57 0.14 0.70 0.00 0.00 175.22 176.61 2kha s VAL 105 N -1.16 3.38 0.15 -0.44 -7.23 0.32 0.15 120.40 115.57 2kha s VAL 105 Ca -0.05 -0.92 -0.06 0.00 -1.81 0.00 0.00 61.98 59.14 2kha s VAL 105 Cb -0.09 -3.17 -0.06 0.00 0.56 0.00 0.00 36.38 33.62 2kha s VAL 105 CO 0.01 -0.08 0.39 0.20 -0.31 0.00 0.00 175.10 175.32 2kha s ASN 106 N -4.29 6.51 0.59 4.85 0.01 0.96 -3.37 114.94 120.19 2kha s ASN 106 Ca 0.52 0.63 0.31 0.00 -0.71 0.00 0.00 52.86 53.61 2kha s ASN 106 Cb -0.10 -2.11 1.68 0.00 0.41 0.00 0.00 41.25 41.13 2kha s ASN 106 CO 0.33 0.05 1.93 1.05 -1.51 0.00 0.00 177.10 178.95 2kha h GLU 107 N 2.85 0.00 -0.04 -0.60 4.11 -1.89 0.84 114.58 119.85 2kha h GLU 107 Ca -0.46 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 58.88 2kha h GLU 107 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2kha h GLU 107 CO 0.72 0.00 -0.39 -0.44 0.07 0.00 0.00 179.01 178.97 2kha h ASP 108 N 0.00 0.09 0.00 3.06 5.19 -2.02 -3.46 116.42 119.28 2kha h ASP 108 Ca 0.00 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2kha h ASP 108 Cb 0.42 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.91 2kha h ASP 108 CO 0.00 0.48 0.00 0.61 -3.12 0.00 0.00 179.24 177.21 2kha n GLY 109 N -0.34 1.92 3.24 2.75 0.00 0.29 -5.14 105.19 107.92 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 0.11 -0.06 2.61 -4.23 -1.20 -4.89 115.64 105.97 2kha s THR 110 Ca 0.00 -0.91 -0.38 0.00 -1.18 0.00 0.00 61.69 59.22 2kha s THR 110 Cb 0.00 -1.21 -0.16 0.00 1.34 0.00 0.00 72.50 72.47 2kha s THR 110 CO 0.00 -0.50 1.55 -2.65 -0.54 0.00 0.00 174.62 172.48 2kha n PRO 111 N 0.01 1.30 -1.21 3.99 -0.02 -1.26 0.32 135.00 138.12 2kha n PRO 111 Ca -0.16 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 2kha n PRO 111 Cb 0.62 -2.15 -0.05 0.00 -0.02 0.00 0.00 33.50 31.90 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 3.97 3.78 -0.79 3.55 0.00 0.41 -4.62 120.51 126.81 2kha n ALA 112 Ca 0.22 -3.32 -0.29 0.00 0.00 0.00 0.00 53.44 50.05 2kha n ALA 112 Cb 0.18 -3.58 0.24 0.00 0.00 0.00 0.00 19.45 16.29 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 4.60 0.94 -0.54 0.00 -1.08 -1.26 -4.80 116.67 114.52 2kha s ASP 113 Ca 0.55 1.10 0.01 0.00 -0.52 0.00 0.00 52.55 53.70 2kha s ASP 113 Cb 0.14 -1.68 0.56 0.00 -1.46 0.00 0.00 42.92 40.48 2kha s ASP 113 CO 0.07 -4.16 1.94 0.35 0.52 0.00 0.00 175.17 173.89 2kha n THR 114 N -4.85 3.37 -4.55 1.71 -2.24 -1.26 -4.93 114.28 101.52 2kha n THR 114 Ca 0.07 -2.46 -0.23 0.00 -2.27 0.00 0.00 64.05 59.16 2kha n THR 114 Cb 0.57 -0.79 -0.14 0.00 -2.10 0.00 0.00 70.33 67.87 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 -1.63 2.02 -0.89 3.42 0.01 -1.26 -5.07 113.70 110.29 2kha s SER 115 Ca 0.60 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.42 2kha s SER 115 Cb 0.49 -0.17 0.30 0.00 0.21 0.00 0.00 66.02 66.85 2kha s SER 115 CO 0.05 0.12 1.30 0.18 0.41 0.00 0.00 173.24 175.30 2kha n LEU 116 N 2.06 5.71 -4.66 2.44 4.32 -1.26 -5.03 117.00 120.57 2kha n LEU 116 Ca -0.17 -5.37 -0.43 0.00 -0.02 0.00 0.00 56.01 50.02 2kha n LEU 116 Cb 0.54 -1.01 -0.02 0.00 -1.62 0.00 0.00 43.42 41.31 2kha n LEU 116 CO 0.23 1.95 1.02 -1.61 -1.22 0.00 0.00 177.39 177.76 2kha s GLU 117 N -3.13 4.25 0.00 3.23 2.02 -1.26 -5.30 118.70 118.51 2kha s GLU 117 Ca 0.37 1.56 0.17 0.00 0.02 0.00 0.00 54.97 57.09 2kha s GLU 117 Cb 0.13 -3.71 1.01 0.00 0.10 0.00 0.00 34.13 31.66 2kha s GLU 117 CO -0.00 -0.66 1.41 -0.35 0.02 0.00 0.00 175.26 175.68