#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 1.53 0.28 1.08 5.04 -1.26 -5.09 117.35 118.93 2kha s TYR 7 Ca 0.00 0.42 0.12 0.00 -2.44 0.00 0.00 57.07 55.17 2kha s TYR 7 Cb 0.00 -3.90 -0.05 0.00 0.35 0.00 0.00 41.96 38.36 2kha s TYR 7 CO 0.00 -2.82 -0.18 0.08 -1.34 0.00 0.00 175.55 171.29 2kha s VAL 8 N -3.65 2.57 0.27 3.14 1.01 -1.26 -4.98 120.40 117.50 2kha s VAL 8 Ca 0.72 -2.37 -0.29 0.00 0.00 0.00 0.00 61.98 60.04 2kha s VAL 8 Cb -0.06 -2.35 -0.09 0.00 0.00 0.00 0.00 36.38 33.87 2kha s VAL 8 CO 0.53 -0.40 1.24 0.54 0.00 0.00 0.00 175.10 177.01 2kha s VAL 9 N -2.49 3.15 0.00 2.92 0.11 -1.26 -5.00 120.40 117.83 2kha s VAL 9 Ca 0.30 1.08 0.00 0.00 -2.93 0.00 0.00 61.98 60.43 2kha s VAL 9 Cb -0.05 -3.69 0.00 0.00 -1.53 0.00 0.00 36.38 31.11 2kha s VAL 9 CO 0.15 0.22 0.00 -0.81 -3.33 0.00 0.00 175.10 171.34 2kha n PRO 10 N 1.56 -0.91 -3.70 1.54 -0.04 -1.26 -4.89 135.00 127.30 2kha n PRO 10 Ca 0.02 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.10 2kha n PRO 10 Cb 0.43 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.77 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 -1.64 5.36 -0.72 3.54 0.15 -1.26 -4.77 113.70 114.36 2kha s SER 11 Ca 0.00 -0.38 -0.25 0.00 0.70 0.00 0.00 55.95 56.03 2kha s SER 11 Cb 0.00 -1.96 0.05 0.00 -1.71 0.00 0.00 66.02 62.40 2kha s SER 11 CO 0.00 -0.12 1.14 0.00 1.20 0.00 0.00 173.24 175.46 2kha s ALA 12 N 1.61 2.93 0.43 5.45 0.00 -1.25 -3.95 121.76 126.98 2kha s ALA 12 Ca 0.05 -1.65 -0.17 0.00 0.00 0.00 0.00 51.96 50.20 2kha s ALA 12 Cb -0.16 -4.08 -0.09 0.00 0.00 0.00 0.00 23.12 18.79 2kha s ALA 12 CO 0.05 -3.06 0.89 0.15 0.00 0.00 0.00 175.76 173.79 2kha s LYS 13 N 4.88 4.02 0.06 0.00 1.02 0.30 -4.83 119.74 125.18 2kha s LYS 13 Ca 0.29 0.87 -0.07 0.00 0.02 0.00 0.00 55.97 57.08 2kha s LYS 13 Cb -0.12 -2.25 -0.01 0.00 -0.52 0.00 0.00 37.83 34.94 2kha s LYS 13 CO 0.11 -0.07 0.14 -0.51 -0.92 0.00 0.00 175.35 174.10 2kha s LEU 14 N -3.55 1.64 -0.10 3.17 1.02 -1.26 -0.90 118.68 118.71 2kha s LEU 14 Ca 0.58 -0.61 -0.13 0.00 0.02 0.00 0.00 54.13 53.98 2kha s LEU 14 Cb -0.10 0.81 0.03 0.00 0.02 0.00 0.00 46.19 46.95 2kha s LEU 14 CO 0.23 -0.63 0.35 -1.61 0.02 0.00 0.00 176.35 174.71 2kha s GLU 15 N -3.33 0.50 -0.64 1.70 2.02 -0.72 -5.00 118.70 113.23 2kha s GLU 15 Ca 0.01 0.30 -0.24 0.00 0.02 0.00 0.00 54.97 55.07 2kha s GLU 15 Cb 0.03 0.23 0.06 0.00 0.10 0.00 0.00 34.13 34.55 2kha s GLU 15 CO -0.08 -0.09 1.01 0.00 0.02 0.00 0.00 175.26 176.12 2kha s ALA 16 N -0.25 3.07 -0.06 5.21 0.00 -1.26 -2.50 121.76 125.97 2kha s ALA 16 Ca -0.04 -1.59 -0.30 0.00 0.00 0.00 0.00 51.96 50.03 2kha s ALA 16 Cb -0.03 -3.89 -0.04 0.00 0.00 0.00 0.00 23.12 19.16 2kha s ALA 16 CO 0.02 -2.75 1.38 0.42 0.00 0.00 0.00 175.76 174.84 2kha s ILE 17 N 4.30 3.91 0.14 0.00 -1.09 0.06 0.17 121.20 128.69 2kha s ILE 17 Ca 0.27 1.20 -0.20 0.00 -2.23 0.00 0.00 60.65 59.69 2kha s ILE 17 Cb -0.14 -3.78 -0.07 0.00 -1.58 0.00 0.00 42.46 36.89 2kha s ILE 17 CO 0.14 -0.05 0.65 -0.47 -1.23 0.00 0.00 174.94 173.98 2kha s TYR 18 N 2.95 3.76 -2.39 3.97 5.04 -0.38 -0.93 117.35 129.36 2kha s TYR 18 Ca 0.62 1.35 0.22 0.00 -2.44 0.00 0.00 57.07 56.82 2kha s TYR 18 Cb -0.28 -2.57 0.52 0.00 0.35 0.00 0.00 41.96 39.99 2kha s TYR 18 CO 0.23 0.49 1.44 -0.35 -1.34 0.00 0.00 175.55 176.03 2kha n PRO 19 N 1.31 2.25 -3.13 4.97 -0.04 -1.26 -4.43 135.00 134.68 2kha n PRO 19 Ca -0.07 -1.89 0.03 0.00 -0.04 0.00 0.00 63.50 61.54 2kha n PRO 19 Cb 0.51 -1.47 -0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2kha n PRO 19 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kha s ARG 20 N -1.58 0.50 0.00 0.54 0.52 -0.83 -4.83 118.95 113.26 2kha s ARG 20 Ca 0.36 0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.79 2kha s ARG 20 Cb 0.21 0.15 0.00 0.00 0.52 0.00 0.00 34.95 35.83 2kha s ARG 20 CO 0.29 -0.84 0.00 0.41 0.02 0.00 0.00 175.30 175.18 2kha n GLY 21 N 4.95 0.72 3.14 -3.53 0.00 -0.11 -4.27 105.19 106.09 2kha n GLY 21 Ca 0.07 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.43 -0.13 0.99 1.98 0.11 -0.76 118.68 120.45 2kha s LEU 22 Ca 0.00 0.79 -0.02 0.00 -2.89 0.00 0.00 54.13 52.01 2kha s LEU 22 Cb 0.00 1.03 -0.03 0.00 0.66 0.00 0.00 46.19 47.85 2kha s LEU 22 CO 0.00 -0.23 -0.05 0.00 -1.89 0.00 0.00 176.35 174.17 2kha s ARG 23 N 2.43 3.37 0.19 1.98 1.70 -1.04 -0.93 118.95 126.64 2kha s ARG 23 Ca -0.01 -0.54 0.10 0.00 -0.47 0.00 0.00 55.73 54.82 2kha s ARG 23 Cb -0.12 -2.79 -0.04 0.00 -0.57 0.00 0.00 34.95 31.43 2kha s ARG 23 CO -0.11 0.37 -0.22 0.08 -1.08 0.00 0.00 175.30 174.35 2kha s VAL 24 N -0.01 2.18 -0.03 4.99 1.01 0.35 -1.76 120.40 127.12 2kha s VAL 24 Ca 0.00 -2.03 -0.11 0.00 0.00 0.00 0.00 61.98 59.84 2kha s VAL 24 Cb -0.13 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.22 2kha s VAL 24 CO 0.03 -0.21 0.25 -0.44 0.00 0.00 0.00 175.10 174.73 2kha s SER 25 N -2.74 -0.16 -0.10 3.32 0.01 -0.08 -0.39 113.70 113.55 2kha s SER 25 Ca 0.20 0.14 -0.05 0.00 1.31 0.00 0.00 55.95 57.55 2kha s SER 25 Cb -0.07 0.35 0.05 0.00 0.21 0.00 0.00 66.02 66.56 2kha s SER 25 CO 0.09 -0.32 0.23 0.27 0.41 0.00 0.00 173.24 173.92 2kha s ILE 26 N -0.92 -0.13 -0.59 1.44 -4.36 -1.03 0.11 121.20 115.72 2kha s ILE 26 Ca -0.10 0.19 -0.26 0.00 -0.26 0.00 0.00 60.65 60.22 2kha s ILE 26 Cb -0.05 -0.37 -0.09 0.00 1.25 0.00 0.00 42.46 43.20 2kha s ILE 26 CO 0.02 0.08 2.38 -2.16 0.24 0.00 0.00 174.94 175.50 2kha s PRO 27 N 1.54 1.97 0.78 0.37 0.04 -1.26 -2.27 135.00 136.18 2kha s PRO 27 Ca -0.07 1.08 -0.14 0.00 0.04 0.00 0.00 61.00 61.91 2kha s PRO 27 Cb -0.11 -4.64 0.07 0.00 0.04 0.00 0.00 34.50 29.86 2kha s PRO 27 CO -0.08 -3.61 1.22 -3.47 0.04 0.00 0.00 177.00 171.10 2kha n ASP 28 N 16.60 1.22 -2.76 6.66 2.03 -0.26 -4.65 116.55 135.39 2kha n ASP 28 Ca 0.39 0.63 -0.04 0.00 0.52 0.00 0.00 54.79 56.29 2kha n ASP 28 Cb 0.51 -1.52 0.04 0.00 -0.72 0.00 0.00 41.12 39.44 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 -3.07 1.63 -1.73 1.67 -0.08 -1.26 -4.78 116.55 108.92 2kha n ASP 29 Ca 0.14 -2.31 -0.09 0.00 -1.51 0.00 0.00 54.79 51.02 2kha n ASP 29 Cb 0.50 -0.49 0.03 0.00 2.34 0.00 0.00 41.12 43.50 2kha n ASP 29 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kha n GLY 30 N -0.41 0.34 0.33 0.27 0.00 -1.26 -5.04 105.19 99.42 2kha n GLY 30 Ca 0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.28 -3.72 0.00 1.61 3.72 -1.26 -4.70 117.46 109.82 2kha n PHE 31 Ca -0.01 -0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 2kha n PHE 31 Cb 0.53 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 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 -3.04 2.04 -3.83 4.37 2.88 1.25 -4.87 113.62 112.42 2kha n SER 32 Ca 0.01 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.42 2kha n SER 32 Cb 0.05 0.23 -0.15 0.00 -0.75 0.00 0.00 64.21 63.60 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 -2.08 1.61 -0.29 2.46 2.96 -1.06 -4.66 118.68 117.62 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 -0.05 0.09 0.00 0.50 0.00 0.00 46.19 46.73 2kha s LEU 33 CO 0.00 -0.05 0.04 0.12 -1.32 0.00 0.00 176.35 175.14 2kha s PHE 34 N 0.46 2.45 -0.27 5.38 5.36 -0.18 0.93 117.98 132.10 2kha s PHE 34 Ca -0.04 -2.06 -0.08 0.00 -0.96 0.00 0.00 56.93 53.80 2kha s PHE 34 Cb -0.06 -1.99 -0.02 0.00 -0.34 0.00 0.00 43.02 40.62 2kha s PHE 34 CO -0.01 -0.86 0.08 0.00 -1.46 0.00 0.00 175.22 172.98 2kha s ALA 35 N 1.36 3.16 -0.18 11.12 0.00 0.58 0.35 121.76 138.15 2kha s ALA 35 Ca 0.05 -1.24 -0.06 0.00 0.00 0.00 0.00 51.96 50.71 2kha s ALA 35 Cb -0.18 -2.14 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 2kha s ALA 35 CO -0.14 -0.65 0.03 0.12 0.00 0.00 0.00 175.76 175.12 2kha s PHE 36 N 1.59 3.15 -0.11 0.00 5.36 -0.87 0.79 117.98 127.89 2kha s PHE 36 Ca 0.05 -0.13 0.03 0.00 -0.96 0.00 0.00 56.93 55.93 2kha s PHE 36 Cb -0.16 -2.06 -0.00 0.00 -0.34 0.00 0.00 43.02 40.46 2kha s PHE 36 CO 0.04 0.01 -0.22 -1.01 -1.46 0.00 0.00 175.22 172.58 2kha s HIS 37 N 0.55 2.60 -0.07 10.12 3.76 -0.55 -2.10 115.29 129.60 2kha s HIS 37 Ca 0.01 -1.04 -0.09 0.00 -0.15 0.00 0.00 55.06 53.79 2kha s HIS 37 Cb -0.13 -1.74 0.02 0.00 1.11 0.00 0.00 32.58 31.84 2kha s HIS 37 CO 0.02 -0.42 0.25 0.20 -0.85 0.00 0.00 174.74 173.93 2kha s GLY 38 N 0.40 -0.16 -0.15 -2.22 0.00 -0.30 -0.85 107.32 104.05 2kha s GLY 38 Ca -0.17 0.57 0.02 0.00 0.00 0.00 0.00 44.72 45.14 2kha s GLY 38 CO 0.07 0.45 -0.21 0.54 0.00 0.00 0.00 173.10 173.95 2kha s LYS 39 N -0.22 3.04 -0.40 2.90 1.02 0.29 0.26 119.74 126.63 2kha s LYS 39 Ca -0.03 -0.84 -0.28 0.00 0.02 0.00 0.00 55.97 54.84 2kha s LYS 39 Cb -0.03 -2.47 0.02 0.00 -0.52 0.00 0.00 37.83 34.84 2kha s LYS 39 CO 0.01 -0.03 1.04 -1.17 -0.92 0.00 0.00 175.35 174.28 2kha s LEU 40 N 0.86 3.86 -0.90 3.17 2.96 -1.26 -1.90 118.68 125.46 2kha s LEU 40 Ca -0.06 0.62 -0.04 0.00 -0.22 0.00 0.00 54.13 54.43 2kha s LEU 40 Cb -0.15 -3.43 -0.03 0.00 0.50 0.00 0.00 46.19 43.08 2kha s LEU 40 CO -0.03 -1.02 0.80 -3.20 -1.32 0.00 0.00 176.35 171.58 2kha n ASN 41 N 7.21 -7.08 0.00 3.68 4.05 -0.68 -5.01 115.26 117.43 2kha n ASN 41 Ca 0.10 -0.43 0.00 0.00 0.45 0.00 0.00 54.58 54.70 2kha n ASN 41 Cb 0.48 -5.07 0.00 0.00 1.23 0.00 0.00 39.78 36.42 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 -2.57 0.00 0.00 1.20 2.13 -1.26 -5.07 120.64 115.07 2kha n GLU 42 Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 2kha n GLU 42 Cb 0.56 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.27 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 -0.64 -3.71 5.31 1.02 -1.26 -4.64 120.64 116.72 2kha n GLU 43 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 2kha n GLU 43 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 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 -1.94 0.65 -0.32 3.49 -1.94 -1.26 -4.96 119.30 113.02 2kha s MET 44 Ca 0.00 0.22 0.14 0.00 -1.71 0.00 0.00 55.69 54.34 2kha s MET 44 Cb 0.00 0.30 0.47 0.00 2.01 0.00 0.00 34.83 37.61 2kha s MET 44 CO 0.00 -0.15 1.09 -3.47 -0.01 0.00 0.00 175.02 172.48 2kha n ASP 45 N 1.92 3.06 0.00 3.03 2.03 -1.26 -4.94 116.55 120.40 2kha n ASP 45 Ca -0.18 -2.99 0.00 0.00 0.52 0.00 0.00 54.79 52.14 2kha n ASP 45 Cb 0.57 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 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 -0.47 -0.32 2.62 0.27 0.00 -1.26 -5.01 105.19 101.02 2kha n GLY 46 Ca 0.24 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 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 3.57 -4.87 0.99 4.77 -1.26 -5.02 117.00 115.18 2kha n LEU 47 Ca 0.00 -5.36 -0.35 0.00 -0.03 0.00 0.00 56.01 50.27 2kha n LEU 47 Cb 0.00 -0.72 -0.06 0.00 -2.33 0.00 0.00 43.42 40.31 2kha n LEU 47 CO 0.00 1.94 0.03 -1.61 -1.33 0.00 0.00 177.39 176.42 2kha s GLU 48 N -2.11 3.72 0.59 3.23 0.41 -1.26 -4.96 118.70 118.32 2kha s GLU 48 Ca 0.34 0.13 0.29 0.00 -0.41 0.00 0.00 54.97 55.33 2kha s GLU 48 Cb 0.08 -3.07 1.40 0.00 -1.78 0.00 0.00 34.13 30.75 2kha s GLU 48 CO -0.07 0.62 1.80 0.00 -0.49 0.00 0.00 175.26 177.12 2kha h ALA 49 N 4.05 2.33 -0.41 5.21 0.00 -1.97 -3.45 119.26 125.02 2kha h ALA 49 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2kha h ALA 49 Cb 1.20 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2kha h ALA 49 CO 0.65 -0.91 0.00 0.41 0.00 0.00 0.00 179.25 179.40 2kha n GLY 50 N -1.55 1.40 0.43 0.00 0.00 -1.26 -4.37 105.19 99.84 2kha n GLY 50 Ca 0.11 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 0.00 0.00 -1.84 1.61 -0.00 0.74 -4.88 115.22 110.85 2kha n HIS 51 Ca 0.00 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.97 2kha n HIS 51 Cb 0.00 0.10 -0.07 0.00 -0.12 0.00 0.00 29.99 29.91 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 -0.23 1.54 -0.61 1.57 0.51 -0.09 -4.73 118.94 116.90 2kha s TRP 52 Ca 0.00 1.25 0.03 0.00 -2.12 0.00 0.00 56.10 55.27 2kha s TRP 52 Cb 0.00 -3.75 0.15 0.00 -0.81 0.00 0.00 33.47 29.06 2kha s TRP 52 CO 0.00 -1.48 0.39 0.00 -0.51 0.00 0.00 176.95 175.34 2kha s ALA 53 N 12.59 3.56 -0.06 0.98 0.00 -1.21 -1.15 121.76 136.47 2kha s ALA 53 Ca 0.79 -3.49 0.01 0.00 0.00 0.00 0.00 51.96 49.26 2kha s ALA 53 Cb -0.08 -2.26 0.02 0.00 0.00 0.00 0.00 23.12 20.80 2kha s ALA 53 CO 0.06 -2.06 -0.05 0.50 0.00 0.00 0.00 175.76 174.21 2kha s ARG 54 N -0.71 0.96 -0.44 0.00 6.06 -0.89 -4.98 118.95 118.95 2kha s ARG 54 Ca 0.20 -0.11 -0.19 0.00 -2.50 0.00 0.00 55.73 53.13 2kha s ARG 54 Cb -0.17 -1.01 0.03 0.00 0.06 0.00 0.00 34.95 33.85 2kha s ARG 54 CO -0.06 -0.13 0.53 0.16 -2.50 0.00 0.00 175.30 173.30 2kha s ASP 55 N 1.19 6.25 0.02 -2.12 1.47 -1.26 -2.04 116.67 120.17 2kha s ASP 55 Ca -0.06 -0.57 -0.14 0.00 1.18 0.00 0.00 52.55 52.95 2kha s ASP 55 Cb -0.14 -2.27 -0.06 0.00 -0.34 0.00 0.00 42.92 40.12 2kha s ASP 55 CO -0.01 -0.69 0.41 -0.63 0.68 0.00 0.00 175.17 174.93 2kha s ILE 56 N 2.45 5.03 -0.08 2.11 1.01 0.16 -4.92 121.20 126.95 2kha s ILE 56 Ca 0.16 0.78 0.13 0.00 0.00 0.00 0.00 60.65 61.72 2kha s ILE 56 Cb -0.16 -3.70 0.25 0.00 0.01 0.00 0.00 42.46 38.86 2kha s ILE 56 CO 0.16 0.52 1.12 0.35 0.00 0.00 0.00 174.94 177.09 2kha n THR 57 N 1.63 1.05 -3.36 2.92 -2.24 -1.26 -1.01 114.28 112.00 2kha n THR 57 Ca -0.13 -1.56 -0.22 0.00 -2.27 0.00 0.00 64.05 59.88 2kha n THR 57 Cb 0.52 0.21 -0.09 0.00 -2.10 0.00 0.00 70.33 68.87 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 -1.57 0.69 1.13 -0.78 1.02 -1.26 -5.00 119.74 113.97 2kha s LYS 58 Ca 0.24 -1.25 -0.18 0.00 0.02 0.00 0.00 55.97 54.80 2kha s LYS 58 Cb 0.23 -0.98 0.14 0.00 -0.52 0.00 0.00 37.83 36.71 2kha s LYS 58 CO -0.03 -1.25 0.14 -2.30 -0.92 0.00 0.00 175.35 170.99 2kha n PRO 59 N 3.84 -1.95 -1.41 -1.68 -0.02 -1.26 -4.75 135.00 127.77 2kha n PRO 59 Ca 0.15 -0.56 -0.22 0.00 -2.02 0.00 0.00 63.50 60.86 2kha n PRO 59 Cb 0.44 -1.71 0.10 0.00 -0.02 0.00 0.00 33.50 32.31 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 -2.43 2.72 -1.71 -0.52 3.00 0.48 -4.88 118.16 114.82 2kha n LYS 60 Ca 0.02 -3.53 -0.00 0.00 -0.00 0.00 0.00 58.31 54.80 2kha n LYS 60 Cb 0.59 -2.15 0.00 0.00 0.00 0.00 0.00 35.03 33.47 2kha n LYS 60 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2kha n GLU 61 N -0.93 -0.57 -0.52 1.64 1.02 -1.26 -4.27 120.64 115.75 2kha n GLU 61 Ca 0.49 0.88 0.00 0.00 -0.02 0.00 0.00 57.16 58.50 2kha n GLU 61 Cb 0.95 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 2kha n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kha n GLY 62 N 0.06 1.09 3.52 0.62 0.00 -1.26 -4.91 105.19 104.31 2kha n GLY 62 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.23 0.60 0.41 1.61 0.52 -1.26 -1.10 118.95 119.49 2kha s ARG 63 Ca 0.00 1.11 -0.19 0.00 -0.52 0.00 0.00 55.73 56.13 2kha s ARG 63 Cb 0.00 0.15 -0.10 0.00 0.52 0.00 0.00 34.95 35.51 2kha s ARG 63 CO 0.00 -0.16 0.90 -1.58 0.02 0.00 0.00 175.30 174.48 2kha s TRP 64 N 1.68 3.33 -0.07 -0.53 0.52 -0.96 0.18 118.94 123.10 2kha s TRP 64 Ca -0.09 1.50 -0.01 0.00 0.02 0.00 0.00 56.10 57.52 2kha s TRP 64 Cb -0.07 -2.76 0.03 0.00 -1.15 0.00 0.00 33.47 29.52 2kha s TRP 64 CO -0.18 -0.07 -0.01 0.99 0.02 0.00 0.00 176.95 177.70 2kha s THR 65 N -2.16 0.43 -0.00 2.01 2.01 -1.26 -2.48 115.64 114.19 2kha s THR 65 Ca 0.60 0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.68 2kha s THR 65 Cb -0.09 -0.56 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 2kha s THR 65 CO 0.15 0.26 -0.06 0.12 -0.69 0.00 0.00 174.62 174.40 2kha s PHE 66 N 1.75 2.92 -0.09 4.92 5.36 0.47 -4.95 117.98 128.36 2kha s PHE 66 Ca 0.02 -0.02 -0.03 0.00 -0.96 0.00 0.00 56.93 55.94 2kha s PHE 66 Cb -0.13 -1.63 0.05 0.00 -0.34 0.00 0.00 43.02 40.97 2kha s PHE 66 CO -0.04 0.38 0.12 1.03 -1.46 0.00 0.00 175.22 175.24 2kha s ARG 67 N -1.38 0.00 -0.31 10.12 0.52 -1.26 -0.50 118.95 126.14 2kha s ARG 67 Ca 0.17 0.39 0.01 0.00 -0.52 0.00 0.00 55.73 55.78 2kha s ARG 67 Cb -0.11 -0.62 0.09 0.00 0.52 0.00 0.00 34.95 34.83 2kha s ARG 67 CO 0.07 -0.38 0.06 0.34 0.02 0.00 0.00 175.30 175.41 2kha s ASP 68 N 2.23 4.25 -0.13 0.23 2.15 -0.10 -4.97 116.67 120.32 2kha s ASP 68 Ca 0.04 -1.75 0.05 0.00 0.43 0.00 0.00 52.55 51.33 2kha s ASP 68 Cb -0.13 -1.18 0.36 0.00 -0.30 0.00 0.00 42.92 41.68 2kha s ASP 68 CO -0.05 -0.38 1.16 0.54 -0.17 0.00 0.00 175.17 176.27 2kha n ARG 69 N 4.61 2.52 -0.67 4.34 3.00 -1.26 0.07 116.66 129.28 2kha n ARG 69 Ca -0.01 -1.45 0.06 0.00 -0.01 0.00 0.00 57.85 56.44 2kha n ARG 69 Cb 0.42 -1.78 0.17 0.00 0.00 0.00 0.00 32.46 31.27 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 1.65 -4.19 0.55 4.13 -1.26 -4.56 115.26 111.73 2kha n ASN 70 Ca 0.16 -3.53 -0.36 0.00 1.68 0.00 0.00 54.58 52.53 2kha n ASN 70 Cb 0.78 -0.48 -0.12 0.00 -1.54 0.00 0.00 39.78 38.41 2kha n ASN 70 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kha s ALA 71 N -2.70 3.00 -1.17 5.41 0.00 -1.25 -5.02 121.76 120.03 2kha s ALA 71 Ca 0.36 -2.00 -0.20 0.00 0.00 0.00 0.00 51.96 50.12 2kha s ALA 71 Cb 0.36 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 2kha s ALA 71 CO -0.07 -1.46 1.91 1.17 0.00 0.00 0.00 175.76 177.31 2kha n LYS 72 N 4.69 2.17 -1.81 0.00 4.81 -1.26 -3.39 118.16 123.37 2kha n LYS 72 Ca -0.10 -2.59 -0.30 0.00 -0.87 0.00 0.00 58.31 54.45 2kha n LYS 72 Cb 0.43 -3.46 0.07 0.00 0.02 0.00 0.00 35.03 32.09 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 6.21 2.69 0.03 3.14 1.43 -1.26 -5.09 118.68 125.83 2kha s LEU 73 Ca 0.60 1.06 0.01 0.00 -1.03 0.00 0.00 54.13 54.77 2kha s LEU 73 Cb 0.05 -3.72 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 2kha s LEU 73 CO 0.09 -1.66 -0.05 -0.54 0.23 0.00 0.00 176.35 174.42 2kha s LYS 74 N -5.38 0.41 0.16 1.70 1.02 -1.26 -5.01 119.74 111.38 2kha s LYS 74 Ca 0.60 -0.64 -0.31 0.00 0.02 0.00 0.00 55.97 55.64 2kha s LYS 74 Cb -0.12 -0.12 -0.09 0.00 -0.52 0.00 0.00 37.83 36.99 2kha s LYS 74 CO 0.52 0.01 1.42 -1.17 -0.92 0.00 0.00 175.35 175.21 2kha s LEU 75 N -1.40 4.38 0.00 3.17 1.98 -1.25 -2.53 118.68 123.02 2kha s LEU 75 Ca -0.12 2.44 0.00 0.00 -2.89 0.00 0.00 54.13 53.57 2kha s LEU 75 Cb -0.09 -3.60 0.00 0.00 0.66 0.00 0.00 46.19 43.16 2kha s LEU 75 CO -0.00 -0.68 0.00 0.61 -1.89 0.00 0.00 176.35 174.39 2kha n GLY 76 N 3.22 3.03 3.62 7.98 0.00 -0.99 -4.89 105.19 117.15 2kha n GLY 76 Ca 0.11 0.00 -0.32 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 0.20 0.01 -4.76 1.61 -0.08 -1.05 -4.68 116.55 107.81 2kha n ASP 77 Ca 0.00 0.45 -0.22 0.00 -1.51 0.00 0.00 54.79 53.51 2kha n ASP 77 Cb 0.00 -1.43 -0.05 0.00 2.34 0.00 0.00 41.12 41.98 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 -4.25 2.61 0.13 -0.67 2.47 -1.26 -1.40 119.74 117.36 2kha s LYS 78 Ca 0.67 -1.29 0.10 0.00 -1.56 0.00 0.00 55.97 53.88 2kha s LYS 78 Cb -0.25 -2.36 -0.04 0.00 -1.46 0.00 0.00 37.83 33.72 2kha s LYS 78 CO 0.58 0.28 -0.23 0.42 0.16 0.00 0.00 175.35 176.55 2kha s ILE 79 N -2.27 1.99 -0.08 5.43 1.01 0.29 -1.68 121.20 125.90 2kha s ILE 79 Ca 0.35 -1.71 -0.04 0.00 0.00 0.00 0.00 60.65 59.25 2kha s ILE 79 Cb -0.06 -1.81 0.04 0.00 0.01 0.00 0.00 42.46 40.64 2kha s ILE 79 CO 0.23 -0.04 0.17 -0.31 0.00 0.00 0.00 174.94 175.00 2kha s TYR 80 N -1.26 -0.21 0.31 3.97 1.51 -0.80 -1.84 117.35 119.03 2kha s TYR 80 Ca 0.12 0.57 -0.13 0.00 -1.01 0.00 0.00 57.07 56.61 2kha s TYR 80 Cb -0.09 -0.04 0.05 0.00 -0.11 0.00 0.00 41.96 41.77 2kha s TYR 80 CO 0.06 -0.18 0.71 1.97 -1.11 0.00 0.00 175.55 176.99 2kha n PHE 81 N 4.17 -2.04 -3.68 2.71 1.16 -1.02 0.11 117.46 118.87 2kha n PHE 81 Ca -0.26 -1.52 -0.10 0.00 -1.87 0.00 0.00 57.45 53.71 2kha n PHE 81 Cb 0.52 0.76 -0.09 0.00 -1.61 0.00 0.00 39.48 39.06 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 -3.09 -0.75 0.30 2.97 1.48 -0.03 -2.05 118.94 117.76 2kha s TRP 82 Ca 0.14 1.60 0.06 0.00 -1.06 0.00 0.00 56.10 56.84 2kha s TRP 82 Cb -0.04 0.37 -0.02 0.00 -1.16 0.00 0.00 33.47 32.62 2kha s TRP 82 CO 0.09 -0.39 0.43 0.95 -4.06 0.00 0.00 176.95 173.97 2kha s THR 83 N 1.22 4.58 -0.09 0.66 -4.23 -1.07 -1.48 115.64 115.22 2kha s THR 83 Ca -0.07 -0.99 -0.04 0.00 -1.18 0.00 0.00 61.69 59.41 2kha s THR 83 Cb -0.06 -3.60 0.05 0.00 1.34 0.00 0.00 72.50 70.23 2kha s THR 83 CO -0.12 -0.23 0.18 -0.47 -0.54 0.00 0.00 174.62 173.44 2kha s TYR 84 N -2.10 -0.23 0.32 3.99 5.04 0.24 -1.91 117.35 122.70 2kha s TYR 84 Ca 0.40 0.67 0.10 0.00 -2.44 0.00 0.00 57.07 55.80 2kha s TYR 84 Cb -0.09 -0.17 -0.06 0.00 0.35 0.00 0.00 41.96 41.99 2kha s TYR 84 CO 0.30 -0.27 -0.06 0.54 -1.34 0.00 0.00 175.55 174.72 2kha s VAL 85 N 2.06 2.55 -0.19 3.14 0.11 0.16 0.22 120.40 128.44 2kha s VAL 85 Ca -0.00 -2.12 -0.03 0.00 -2.93 0.00 0.00 61.98 56.89 2kha s VAL 85 Cb -0.12 -2.66 0.06 0.00 -1.53 0.00 0.00 36.38 32.13 2kha s VAL 85 CO -0.06 -0.25 0.06 -0.63 -3.33 0.00 0.00 175.10 170.88 2kha s ILE 86 N -2.53 0.32 -1.02 7.04 -1.09 0.26 -2.15 121.20 122.04 2kha s ILE 86 Ca 0.33 -0.47 -0.04 0.00 -2.23 0.00 0.00 60.65 58.24 2kha s ILE 86 Cb -0.01 -0.91 0.28 0.00 -1.58 0.00 0.00 42.46 40.25 2kha s ILE 86 CO 0.18 -0.27 1.20 1.17 -1.23 0.00 0.00 174.94 175.99 2kha n LYS 87 N 5.12 3.73 -3.55 2.79 4.81 -0.99 0.39 118.16 130.47 2kha n LYS 87 Ca -0.08 -4.53 -0.20 0.00 -0.87 0.00 0.00 58.31 52.63 2kha n LYS 87 Cb 0.47 -2.48 0.07 0.00 0.02 0.00 0.00 35.03 33.11 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 1.79 -2.50 -0.01 3.14 -0.08 -1.26 -2.98 116.55 114.65 2kha n ASP 88 Ca 0.25 -0.67 0.00 0.00 -1.51 0.00 0.00 54.79 52.86 2kha n ASP 88 Cb 0.36 -4.77 0.00 0.00 2.34 0.00 0.00 41.12 39.05 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 -1.39 0.96 2.39 0.27 0.00 -1.26 -5.03 105.19 101.13 2kha n GLY 89 Ca -0.24 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.01 -0.79 -4.86 0.99 4.77 -1.16 -5.13 117.00 110.81 2kha n LEU 90 Ca 0.00 -4.24 -0.31 0.00 -0.03 0.00 0.00 56.01 51.43 2kha n LEU 90 Cb 0.32 0.63 0.01 0.00 -2.33 0.00 0.00 43.42 42.05 2kha n LEU 90 CO 0.00 1.96 0.71 -0.83 -1.33 0.00 0.00 177.39 177.90 2kha s GLY 91 N -0.46 1.74 -0.02 -0.72 0.00 -1.25 -2.34 107.32 104.26 2kha s GLY 91 Ca 0.33 -0.01 -0.19 0.00 0.00 0.00 0.00 44.72 44.85 2kha s GLY 91 CO -0.16 0.26 0.41 -0.19 0.00 0.00 0.00 173.10 173.42 2kha s TYR 92 N -3.06 -0.31 0.05 1.90 2.02 -0.91 -4.94 117.35 112.10 2kha s TYR 92 Ca 0.56 0.49 0.04 0.00 -0.37 0.00 0.00 57.07 57.79 2kha s TYR 92 Cb -0.11 0.18 -0.02 0.00 -0.40 0.00 0.00 41.96 41.60 2kha s TYR 92 CO 0.50 -0.45 -0.13 -0.98 -1.57 0.00 0.00 175.55 172.92 2kha s ARG 93 N -1.32 0.80 -0.94 -0.62 3.03 -1.25 -0.66 118.95 117.99 2kha s ARG 93 Ca -0.13 -0.79 -0.02 0.00 2.03 0.00 0.00 55.73 56.83 2kha s ARG 93 Cb -0.04 -0.77 0.27 0.00 -1.03 0.00 0.00 34.95 33.38 2kha s ARG 93 CO 0.06 0.18 1.10 0.94 -1.13 0.00 0.00 175.30 176.45 2kha n GLN 94 N 1.69 3.48 -2.23 3.89 7.27 -0.80 -4.73 117.38 125.94 2kha n GLN 94 Ca -0.20 -4.56 -0.27 0.00 0.07 0.00 0.00 57.00 52.05 2kha n GLN 94 Cb 0.55 -2.43 0.17 0.00 2.41 0.00 0.00 30.24 30.93 2kha n GLN 94 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 2kha n ASP 95 N 1.58 0.69 -1.25 1.69 5.68 -1.26 -2.60 116.55 121.08 2kha n ASP 95 Ca 0.26 -1.80 -0.16 0.00 -0.50 0.00 0.00 54.79 52.59 2kha n ASP 95 Cb 0.37 -0.86 -0.07 0.00 -1.14 0.00 0.00 41.12 39.42 2kha n ASP 95 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 2kha n ASN 96 N -3.42 -5.48 -4.89 -1.12 5.15 -1.21 -4.92 115.26 99.36 2kha n ASN 96 Ca 0.17 0.40 -0.29 0.00 -0.60 0.00 0.00 54.58 54.26 2kha n ASN 96 Cb 0.59 -4.41 0.03 0.00 -0.53 0.00 0.00 39.78 35.46 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 -2.65 1.62 -0.21 8.20 0.00 -0.87 -4.95 107.32 108.45 2kha s GLY 97 Ca 0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 44.72 44.22 2kha s GLY 97 CO 0.00 -0.08 0.50 1.85 0.00 0.00 0.00 173.10 175.37 2kha s GLU 98 N -5.17 0.48 0.41 2.90 2.12 -1.26 -2.43 118.70 115.75 2kha s GLU 98 Ca 0.55 0.96 0.07 0.00 0.36 0.00 0.00 54.97 56.91 2kha s GLU 98 Cb -0.11 0.08 -0.08 0.00 0.26 0.00 0.00 34.13 34.29 2kha s GLU 98 CO 0.50 -0.17 0.01 -0.46 -0.54 0.00 0.00 175.26 174.61 2kha s TRP 99 N 1.62 2.50 0.28 5.30 -0.00 -0.76 -4.92 118.94 122.96 2kha s TRP 99 Ca -0.09 -0.68 0.09 0.00 -0.00 0.00 0.00 56.10 55.42 2kha s TRP 99 Cb -0.08 -1.77 -0.04 0.00 -0.00 0.00 0.00 33.47 31.58 2kha s TRP 99 CO -0.15 0.44 0.08 -0.08 -0.00 0.00 0.00 176.95 177.24 2kha s THR 100 N -2.72 3.66 -0.04 5.86 -1.32 -1.26 0.11 115.64 119.92 2kha s THR 100 Ca 0.34 -1.72 0.07 0.00 -1.21 0.00 0.00 61.69 59.17 2kha s THR 100 Cb 0.10 -3.03 0.10 0.00 -1.51 0.00 0.00 72.50 68.16 2kha s THR 100 CO 0.18 -0.33 0.97 0.52 -2.21 0.00 0.00 174.62 173.74 2kha n VAL 101 N -1.03 0.97 0.28 5.08 0.31 -0.50 -4.75 118.33 118.69 2kha n VAL 101 Ca -0.06 -1.10 0.17 0.00 -0.01 0.00 0.00 64.34 63.34 2kha n VAL 101 Cb 0.59 0.33 0.93 0.00 -0.91 0.00 0.00 33.84 34.77 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 1.70 0.43 -4.00 2.52 1.35 -1.83 -2.64 112.91 110.44 2kha h THR 102 Ca 0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 66.41 65.66 2kha h THR 102 Cb 0.91 0.94 -0.15 0.00 -1.73 0.00 0.00 68.15 68.12 2kha h THR 102 CO 0.00 0.00 -0.68 -1.61 -0.25 0.00 0.00 175.52 172.98 2kha s GLU 103 N -4.56 0.83 0.04 4.72 2.02 -1.26 -4.48 118.70 116.01 2kha s GLU 103 Ca -0.05 -1.35 0.05 0.00 0.02 0.00 0.00 54.97 53.64 2kha s GLU 103 Cb 0.15 -0.05 -0.02 0.00 0.10 0.00 0.00 34.13 34.31 2kha s GLU 103 CO 0.52 -0.09 -0.14 -0.06 0.02 0.00 0.00 175.26 175.51 2kha s PHE 104 N -3.76 1.22 0.41 1.61 0.40 -1.26 -4.16 117.98 112.43 2kha s PHE 104 Ca 0.14 -0.36 0.06 0.00 -0.60 0.00 0.00 56.93 56.17 2kha s PHE 104 Cb 0.06 -0.72 0.00 0.00 0.51 0.00 0.00 43.02 42.88 2kha s PHE 104 CO -0.04 0.03 0.57 0.14 0.70 0.00 0.00 175.22 176.62 2kha s VAL 105 N -0.86 3.47 0.27 -0.44 -7.23 0.45 0.13 120.40 116.19 2kha s VAL 105 Ca 0.01 -0.91 -0.11 0.00 -1.81 0.00 0.00 61.98 59.16 2kha s VAL 105 Cb -0.08 -3.21 -0.08 0.00 0.56 0.00 0.00 36.38 33.58 2kha s VAL 105 CO 0.01 -0.09 0.61 0.20 -0.31 0.00 0.00 175.10 175.52 2kha s ASN 106 N -4.28 6.66 0.55 4.85 0.01 1.31 -1.25 114.94 122.79 2kha s ASN 106 Ca 0.51 1.03 0.28 0.00 -0.71 0.00 0.00 52.86 53.96 2kha s ASN 106 Cb -0.10 -2.27 1.51 0.00 0.41 0.00 0.00 41.25 40.80 2kha s ASN 106 CO 0.33 -0.13 1.83 1.05 -1.51 0.00 0.00 177.10 178.67 2kha h GLU 107 N 2.37 0.00 -0.02 -0.60 4.11 -1.85 0.88 114.58 119.47 2kha h GLU 107 Ca -0.47 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 58.85 2kha h GLU 107 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2kha h GLU 107 CO 0.68 0.00 -0.51 -0.44 0.07 0.00 0.00 179.01 178.81 2kha h ASP 108 N 0.00 0.06 0.00 3.06 3.32 -1.97 -3.47 116.42 117.42 2kha h ASP 108 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2kha h ASP 108 Cb 0.47 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2kha h ASP 108 CO 0.00 0.56 0.00 0.61 -1.72 0.00 0.00 179.24 178.69 2kha n GLY 109 N -0.04 1.81 3.15 2.75 0.00 0.31 -5.14 105.19 108.03 2kha n GLY 109 Ca -0.02 0.00 -0.08 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 0.15 0.04 2.61 -4.23 -1.22 -4.88 115.64 106.12 2kha s THR 110 Ca 0.00 -1.70 -0.38 0.00 -1.18 0.00 0.00 61.69 58.43 2kha s THR 110 Cb 0.00 -1.69 -0.18 0.00 1.34 0.00 0.00 72.50 71.96 2kha s THR 110 CO 0.00 -0.70 1.21 -2.65 -0.54 0.00 0.00 174.62 171.93 2kha n PRO 111 N -0.02 0.56 -1.84 3.99 -0.02 -1.26 0.40 135.00 136.81 2kha n PRO 111 Ca -0.11 0.20 -0.42 0.00 -2.02 0.00 0.00 63.50 61.16 2kha n PRO 111 Cb 0.62 -1.77 -0.03 0.00 -0.02 0.00 0.00 33.50 32.30 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 0.26 3.85 0.06 3.55 0.00 0.35 -4.40 121.76 125.41 2kha s ALA 112 Ca 0.88 1.47 0.01 0.00 0.00 0.00 0.00 51.96 54.31 2kha s ALA 112 Cb -1.12 -3.65 -0.00 0.00 0.00 0.00 0.00 23.12 18.35 2kha s ALA 112 CO 0.52 -0.84 0.02 -3.47 0.00 0.00 0.00 175.76 171.99 2kha n ASP 113 N 3.95 0.75 -4.25 0.00 2.03 -1.26 -4.88 116.55 112.89 2kha n ASP 113 Ca 0.15 -1.31 -0.43 0.00 0.52 0.00 0.00 54.79 53.72 2kha n ASP 113 Cb 0.37 0.17 -0.03 0.00 -0.72 0.00 0.00 41.12 40.90 2kha n ASP 113 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2kha s THR 114 N -1.84 5.19 0.96 5.18 2.01 -1.26 -5.06 115.64 120.82 2kha s THR 114 Ca 0.03 -3.13 -0.11 0.00 0.31 0.00 0.00 61.69 58.79 2kha s THR 114 Cb 0.00 -4.19 0.17 0.00 0.01 0.00 0.00 72.50 68.49 2kha s THR 114 CO 0.02 -1.07 1.09 -0.44 -0.69 0.00 0.00 174.62 173.54 2kha s SER 115 N 1.19 2.75 -0.32 3.53 0.01 -1.26 -5.05 113.70 114.56 2kha s SER 115 Ca 0.24 1.66 -0.10 0.00 1.31 0.00 0.00 55.95 59.05 2kha s SER 115 Cb -0.11 -2.30 0.19 0.00 0.21 0.00 0.00 66.02 64.01 2kha s SER 115 CO -0.08 -3.12 1.06 -0.22 0.41 0.00 0.00 173.24 171.29 2kha s LEU 116 N -6.55 -0.30 -0.06 2.44 0.20 -1.26 -5.16 118.68 107.99 2kha s LEU 116 Ca 0.65 -0.13 -0.06 0.00 0.69 0.00 0.00 54.13 55.28 2kha s LEU 116 Cb -0.21 0.45 -0.04 0.00 -0.43 0.00 0.00 46.19 45.96 2kha s LEU 116 CO 0.59 -0.04 0.18 -1.61 -0.29 0.00 0.00 176.35 175.18 2kha s GLU 117 N 2.06 3.47 0.00 1.98 2.02 -1.26 -5.35 118.70 121.62 2kha s GLU 117 Ca 0.16 -0.18 0.20 0.00 0.02 0.00 0.00 54.97 55.18 2kha s GLU 117 Cb 0.03 -3.14 1.22 0.00 0.10 0.00 0.00 34.13 32.34 2kha s GLU 117 CO -0.16 0.72 1.61 -0.35 0.02 0.00 0.00 175.26 177.10