#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 2.32 0.26 3.69 5.04 -1.26 -5.09 117.35 122.30 2kha s TYR 7 Ca 0.00 0.59 0.10 0.00 -2.44 0.00 0.00 57.07 55.32 2kha s TYR 7 Cb 0.00 -3.73 -0.05 0.00 0.35 0.00 0.00 41.96 38.54 2kha s TYR 7 CO 0.00 -2.23 -0.08 0.08 -1.34 0.00 0.00 175.55 171.98 2kha s VAL 8 N -3.65 3.12 0.36 3.14 1.01 -1.26 -5.00 120.40 118.11 2kha s VAL 8 Ca 0.67 -2.04 -0.27 0.00 0.00 0.00 0.00 61.98 60.34 2kha s VAL 8 Cb -0.09 -2.65 -0.09 0.00 0.00 0.00 0.00 36.38 33.56 2kha s VAL 8 CO 0.51 -0.36 1.15 0.54 0.00 0.00 0.00 175.10 176.94 2kha s VAL 9 N -2.32 3.29 1.09 2.92 0.11 -1.26 -5.01 120.40 119.22 2kha s VAL 9 Ca 0.30 1.15 -0.18 0.00 -2.93 0.00 0.00 61.98 60.32 2kha s VAL 9 Cb -0.06 -3.67 0.27 0.00 -1.53 0.00 0.00 36.38 31.39 2kha s VAL 9 CO 0.18 0.16 0.91 -2.65 -3.33 0.00 0.00 175.10 170.37 2kha n PRO 10 N 0.44 -3.10 -3.91 1.54 -0.02 -1.26 -4.87 135.00 123.82 2kha n PRO 10 Ca 0.02 -1.47 -0.35 0.00 -2.02 0.00 0.00 63.50 59.68 2kha n PRO 10 Cb 0.46 -1.44 -0.14 0.00 -0.02 0.00 0.00 33.50 32.36 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 -3.88 4.53 -0.33 2.55 0.15 -1.26 -4.68 113.70 110.79 2kha s SER 11 Ca 0.61 -0.33 -0.27 0.00 0.70 0.00 0.00 55.95 56.66 2kha s SER 11 Cb -0.07 -1.79 0.01 0.00 -1.71 0.00 0.00 66.02 62.47 2kha s SER 11 CO 0.47 -0.01 0.98 0.00 1.20 0.00 0.00 173.24 175.88 2kha s ALA 12 N 1.43 3.48 -0.48 5.45 0.00 -1.25 -4.06 121.76 126.33 2kha s ALA 12 Ca 0.05 -0.22 -0.12 0.00 0.00 0.00 0.00 51.96 51.67 2kha s ALA 12 Cb -0.14 -3.57 0.11 0.00 0.00 0.00 0.00 23.12 19.51 2kha s ALA 12 CO -0.01 -1.46 0.38 0.21 0.00 0.00 0.00 175.76 174.88 2kha s LYS 13 N 3.48 2.73 0.57 0.00 2.20 0.24 -4.85 119.74 124.10 2kha s LYS 13 Ca 0.41 -1.63 -0.01 0.00 -0.36 0.00 0.00 55.97 54.39 2kha s LYS 13 Cb -0.12 -4.04 0.03 0.00 -1.51 0.00 0.00 37.83 32.19 2kha s LYS 13 CO 0.16 -1.16 0.81 -0.51 -0.36 0.00 0.00 175.35 174.29 2kha s LEU 14 N 1.49 3.25 0.04 5.43 1.02 -1.26 -1.39 118.68 127.25 2kha s LEU 14 Ca 0.04 0.18 -0.22 0.00 0.02 0.00 0.00 54.13 54.15 2kha s LEU 14 Cb -0.26 -3.02 0.05 0.00 0.02 0.00 0.00 46.19 42.98 2kha s LEU 14 CO 0.02 -1.15 0.51 -1.61 0.02 0.00 0.00 176.35 174.14 2kha s GLU 15 N -4.84 1.00 -0.10 1.70 2.02 0.84 -4.91 118.70 114.42 2kha s GLU 15 Ca 0.56 -0.21 -0.23 0.00 0.02 0.00 0.00 54.97 55.11 2kha s GLU 15 Cb -0.10 0.46 -0.03 0.00 0.10 0.00 0.00 34.13 34.55 2kha s GLU 15 CO 0.40 -0.35 0.69 0.00 0.02 0.00 0.00 175.26 176.02 2kha s ALA 16 N -2.28 3.39 -0.26 5.21 0.00 -1.26 -2.50 121.76 124.06 2kha s ALA 16 Ca -0.06 0.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.91 2kha s ALA 16 Cb -0.01 -2.97 0.02 0.00 0.00 0.00 0.00 23.12 20.15 2kha s ALA 16 CO -0.00 -0.22 -0.02 0.42 0.00 0.00 0.00 175.76 175.93 2kha s ILE 17 N 1.10 3.27 0.32 0.00 1.09 -1.21 0.12 121.20 125.90 2kha s ILE 17 Ca 0.36 -0.85 -0.27 0.00 -1.10 0.00 0.00 60.65 58.79 2kha s ILE 17 Cb -0.17 -2.65 -0.10 0.00 -1.06 0.00 0.00 42.46 38.49 2kha s ILE 17 CO 0.16 0.19 0.97 -0.47 -0.10 0.00 0.00 174.94 175.70 2kha s TYR 18 N 1.40 3.66 -1.93 3.97 5.04 -1.26 0.51 117.35 128.74 2kha s TYR 18 Ca 0.02 1.77 0.26 0.00 -2.44 0.00 0.00 57.07 56.68 2kha s TYR 18 Cb -0.16 -2.99 0.69 0.00 0.35 0.00 0.00 41.96 39.85 2kha s TYR 18 CO -0.02 0.06 1.53 -0.35 -1.34 0.00 0.00 175.55 175.42 2kha n PRO 19 N 0.64 1.05 -3.03 4.97 -0.04 -1.26 -4.78 135.00 132.54 2kha n PRO 19 Ca 0.02 -0.67 0.01 0.00 -0.04 0.00 0.00 63.50 62.82 2kha n PRO 19 Cb 0.49 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 -2.41 0.61 0.18 0.54 3.52 -0.70 -4.83 118.95 115.85 2kha s ARG 20 Ca 0.26 -0.23 -0.05 0.00 -0.13 0.00 0.00 55.73 55.57 2kha s ARG 20 Cb 0.19 0.06 0.02 0.00 -1.56 0.00 0.00 34.95 33.67 2kha s ARG 20 CO 0.49 -0.87 0.32 0.41 -0.81 0.00 0.00 175.30 174.85 2kha n GLY 21 N 4.06 1.88 3.56 8.12 0.00 0.18 -3.81 105.19 119.19 2kha n GLY 21 Ca 0.10 -1.24 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.72 -0.17 0.99 2.96 0.35 -3.31 118.68 118.77 2kha s LEU 22 Ca 0.09 1.38 -0.01 0.00 -0.22 0.00 0.00 54.13 55.37 2kha s LEU 22 Cb -0.02 2.19 0.04 0.00 0.50 0.00 0.00 46.19 48.90 2kha s LEU 22 CO 0.07 -0.23 -0.05 -0.60 -1.32 0.00 0.00 176.35 174.22 2kha s ARG 23 N 1.37 1.39 0.23 1.98 3.52 -1.04 0.04 118.95 126.43 2kha s ARG 23 Ca -0.08 -0.53 0.10 0.00 -0.13 0.00 0.00 55.73 55.09 2kha s ARG 23 Cb -0.05 -2.03 -0.05 0.00 -1.56 0.00 0.00 34.95 31.26 2kha s ARG 23 CO -0.15 -0.45 -0.18 0.08 -0.81 0.00 0.00 175.30 173.79 2kha s VAL 24 N 1.64 2.12 -0.08 7.11 1.01 -0.66 -0.11 120.40 131.43 2kha s VAL 24 Ca 0.00 -2.22 -0.14 0.00 0.00 0.00 0.00 61.98 59.63 2kha s VAL 24 Cb -0.15 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.14 2kha s VAL 24 CO -0.08 -0.41 0.34 -0.44 0.00 0.00 0.00 175.10 174.52 2kha s SER 25 N -3.20 -0.30 -0.03 3.32 0.01 -0.49 -1.82 113.70 111.19 2kha s SER 25 Ca 0.24 0.43 -0.00 0.00 1.31 0.00 0.00 55.95 57.92 2kha s SER 25 Cb -0.04 0.53 0.03 0.00 0.21 0.00 0.00 66.02 66.75 2kha s SER 25 CO 0.10 -0.29 0.02 0.27 0.41 0.00 0.00 173.24 173.75 2kha s ILE 26 N -0.55 0.12 -0.39 1.44 -5.25 -1.02 0.83 121.20 116.39 2kha s ILE 26 Ca -0.07 0.17 -0.27 0.00 -0.99 0.00 0.00 60.65 59.49 2kha s ILE 26 Cb -0.04 -0.25 -0.06 0.00 2.95 0.00 0.00 42.46 45.06 2kha s ILE 26 CO 0.02 0.16 2.30 -2.16 -1.79 0.00 0.00 174.94 173.47 2kha s PRO 27 N 1.33 2.54 0.77 0.37 0.04 -1.26 -1.93 135.00 136.87 2kha s PRO 27 Ca -0.05 1.62 -0.12 0.00 0.04 0.00 0.00 61.00 62.49 2kha s PRO 27 Cb -0.13 -4.49 0.06 0.00 0.04 0.00 0.00 34.50 29.98 2kha s PRO 27 CO -0.03 -2.78 1.12 0.34 0.04 0.00 0.00 177.00 175.70 2kha s ASP 28 N 10.42 4.25 -0.30 6.66 2.15 0.47 -4.58 116.67 135.74 2kha s ASP 28 Ca 0.97 2.01 0.19 0.00 0.43 0.00 0.00 52.55 56.16 2kha s ASP 28 Cb -0.23 -2.55 0.47 0.00 -0.30 0.00 0.00 42.92 40.31 2kha s ASP 28 CO 0.29 -2.21 1.09 -0.67 -0.17 0.00 0.00 175.17 173.51 2kha n ASP 29 N -3.33 1.06 -2.03 -0.34 2.03 -1.26 -4.80 116.55 107.88 2kha n ASP 29 Ca 0.11 -2.36 -0.09 0.00 0.52 0.00 0.00 54.79 52.96 2kha n ASP 29 Cb 0.52 -0.32 0.04 0.00 -0.72 0.00 0.00 41.12 40.65 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 -0.43 0.15 1.05 0.27 0.00 -1.26 -5.03 105.19 99.94 2kha n GLY 30 Ca 0.05 -0.23 -0.07 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 -2.90 -3.49 0.00 1.61 3.72 -1.26 -4.73 117.46 110.41 2kha n PHE 31 Ca -0.08 -0.43 0.00 0.00 -0.05 0.00 0.00 57.45 56.89 2kha n PHE 31 Cb 0.56 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 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 -3.06 1.70 -3.77 4.37 7.64 1.19 -4.87 113.62 116.82 2kha n SER 32 Ca 0.04 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.78 2kha n SER 32 Cb 0.16 0.21 -0.15 0.00 -1.01 0.00 0.00 64.21 63.42 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 -1.77 1.01 -0.32 -3.43 2.96 -1.01 -4.34 118.68 111.79 2kha s LEU 33 Ca 0.00 0.15 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 2kha s LEU 33 Cb 0.00 0.12 0.09 0.00 0.50 0.00 0.00 46.19 46.90 2kha s LEU 33 CO 0.00 -0.13 0.04 0.12 -1.32 0.00 0.00 176.35 175.06 2kha s PHE 34 N 1.01 3.24 -0.24 5.38 5.36 0.24 0.66 117.98 133.62 2kha s PHE 34 Ca -0.08 -2.62 -0.08 0.00 -0.96 0.00 0.00 56.93 53.19 2kha s PHE 34 Cb -0.11 -2.51 -0.03 0.00 -0.34 0.00 0.00 43.02 40.02 2kha s PHE 34 CO -0.04 -0.92 0.08 0.00 -1.46 0.00 0.00 175.22 172.88 2kha s ALA 35 N 1.09 3.22 -0.15 11.12 0.00 0.62 -0.05 121.76 137.60 2kha s ALA 35 Ca 0.08 -1.08 -0.05 0.00 0.00 0.00 0.00 51.96 50.91 2kha s ALA 35 Cb -0.19 -2.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.81 2kha s ALA 35 CO -0.11 -0.41 0.00 0.12 0.00 0.00 0.00 175.76 175.37 2kha s PHE 36 N 1.47 3.12 -0.11 0.00 2.19 -1.03 0.11 117.98 123.74 2kha s PHE 36 Ca 0.06 -0.09 0.00 0.00 0.33 0.00 0.00 56.93 57.23 2kha s PHE 36 Cb -0.15 -1.97 0.02 0.00 -1.31 0.00 0.00 43.02 39.61 2kha s PHE 36 CO 0.04 0.12 -0.10 -1.01 1.83 0.00 0.00 175.22 176.10 2kha s HIS 37 N 0.14 1.64 -0.07 10.12 3.76 -0.63 -2.19 115.29 128.06 2kha s HIS 37 Ca 0.01 -0.80 -0.20 0.00 -0.15 0.00 0.00 55.06 53.92 2kha s HIS 37 Cb -0.13 -1.28 0.04 0.00 1.11 0.00 0.00 32.58 32.33 2kha s HIS 37 CO 0.02 -0.49 0.47 0.20 -0.85 0.00 0.00 174.74 174.09 2kha s GLY 38 N 1.39 -0.34 0.05 -2.22 0.00 -0.70 -0.24 107.32 105.26 2kha s GLY 38 Ca -0.00 0.90 0.09 0.00 0.00 0.00 0.00 44.72 45.71 2kha s GLY 38 CO -0.06 0.65 -0.25 1.25 0.00 0.00 0.00 173.10 174.69 2kha s LYS 39 N -0.89 1.83 -0.31 2.90 2.36 0.14 0.23 119.74 125.99 2kha s LYS 39 Ca -0.09 -1.10 -0.17 0.00 -2.55 0.00 0.00 55.97 52.05 2kha s LYS 39 Cb -0.03 -2.02 -0.02 0.00 -1.05 0.00 0.00 37.83 34.71 2kha s LYS 39 CO 0.05 0.51 0.46 -1.17 1.55 0.00 0.00 175.35 176.76 2kha s LEU 40 N -1.35 4.20 -0.54 5.43 2.96 -1.26 -2.23 118.68 125.88 2kha s LEU 40 Ca 0.13 0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 54.20 2kha s LEU 40 Cb -0.10 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.04 2kha s LEU 40 CO 0.03 -0.34 0.50 -3.20 -1.32 0.00 0.00 176.35 172.02 2kha n ASN 41 N 5.55 -5.65 0.00 3.68 5.15 -0.73 -5.01 115.26 118.25 2kha n ASN 41 Ca -0.06 -0.16 0.00 0.00 -0.60 0.00 0.00 54.58 53.76 2kha n ASN 41 Cb 0.50 -3.80 0.00 0.00 -0.53 0.00 0.00 39.78 35.95 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 -1.81 0.00 -0.02 1.20 2.13 -1.26 -5.01 120.64 115.87 2kha n GLU 42 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 2kha n GLU 42 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.23 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 0.46 -1.39 5.31 1.02 -1.26 -4.49 120.64 120.30 2kha n GLU 43 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2kha n GLU 43 Cb 0.00 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 2kha n GLU 43 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2kha n MET 44 N 0.86 -2.66 -3.14 3.49 2.81 -1.26 -4.92 117.12 112.29 2kha n MET 44 Ca 0.00 2.07 -0.17 0.00 -1.81 0.00 0.00 57.70 57.78 2kha n MET 44 Cb 0.23 -2.77 -0.02 0.00 -0.71 0.00 0.00 33.22 29.95 2kha n MET 44 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2kha n ASP 45 N -2.38 0.45 -0.01 7.83 2.03 -1.26 -5.07 116.55 118.14 2kha n ASP 45 Ca 0.00 -3.06 0.00 0.00 0.52 0.00 0.00 54.79 52.25 2kha n ASP 45 Cb 0.31 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 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 0.37 1.17 3.48 0.27 0.00 -1.26 -4.86 105.19 104.36 2kha n GLY 46 Ca 0.23 -1.30 -0.35 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.03 -0.22 0.00 0.99 4.77 -1.26 -4.85 117.00 116.40 2kha n LEU 47 Ca 0.00 -0.03 -0.27 0.00 -0.03 0.00 0.00 56.01 55.68 2kha n LEU 47 Cb 0.00 -0.80 -0.06 0.00 -2.33 0.00 0.00 43.42 40.23 2kha n LEU 47 CO 0.00 -0.92 -0.19 -0.62 -1.33 0.00 0.00 177.39 174.32 2kha n GLU 48 N 7.58 0.90 0.29 3.23 -0.58 -1.26 -5.01 120.64 125.78 2kha n GLU 48 Ca 0.66 -3.11 0.20 0.00 -0.42 0.00 0.00 57.16 54.48 2kha n GLU 48 Cb 0.06 0.98 1.00 0.00 -0.57 0.00 0.00 31.44 32.92 2kha n GLU 48 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kha h ALA 49 N 1.29 1.00 -0.25 0.62 0.00 -2.00 -3.47 119.26 116.44 2kha h ALA 49 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2kha h ALA 49 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2kha h ALA 49 CO 0.57 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.23 2kha n GLY 50 N -0.85 2.16 0.30 0.00 0.00 -1.26 -4.42 105.19 101.12 2kha n GLY 50 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.94 1.61 8.25 0.62 -4.88 115.22 132.88 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 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 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 -0.32 1.68 -0.58 4.41 0.51 0.68 -4.76 118.94 120.56 2kha s TRP 52 Ca 0.00 0.96 0.03 0.00 -2.12 0.00 0.00 56.10 54.97 2kha s TRP 52 Cb 0.00 -3.87 0.14 0.00 -0.81 0.00 0.00 33.47 28.93 2kha s TRP 52 CO 0.00 -1.49 0.35 0.00 -0.51 0.00 0.00 176.95 175.30 2kha s ALA 53 N 11.68 3.48 -0.06 0.98 0.00 -1.21 -1.72 121.76 134.91 2kha s ALA 53 Ca 0.74 -3.42 -0.02 0.00 0.00 0.00 0.00 51.96 49.26 2kha s ALA 53 Cb -0.06 -2.24 0.04 0.00 0.00 0.00 0.00 23.12 20.86 2kha s ALA 53 CO 0.06 -2.05 0.12 0.50 0.00 0.00 0.00 175.76 174.38 2kha s ARG 54 N -0.55 0.04 0.01 0.00 3.52 -0.93 -4.99 118.95 116.05 2kha s ARG 54 Ca 0.19 0.37 -0.21 0.00 -0.13 0.00 0.00 55.73 55.95 2kha s ARG 54 Cb -0.20 -0.23 -0.06 0.00 -1.56 0.00 0.00 34.95 32.90 2kha s ARG 54 CO -0.04 -0.20 0.61 0.16 -0.81 0.00 0.00 175.30 175.02 2kha s ASP 55 N 1.42 7.02 0.14 -2.12 1.47 -1.26 -2.45 116.67 120.89 2kha s ASP 55 Ca -0.06 1.21 0.10 0.00 1.18 0.00 0.00 52.55 54.98 2kha s ASP 55 Cb -0.12 -2.38 -0.04 0.00 -0.34 0.00 0.00 42.92 40.04 2kha s ASP 55 CO -0.05 0.11 -0.24 -0.63 0.68 0.00 0.00 175.17 175.04 2kha s ILE 56 N -0.28 2.12 -0.00 2.11 1.01 0.93 -4.94 121.20 122.14 2kha s ILE 56 Ca 0.32 -1.79 0.11 0.00 0.00 0.00 0.00 60.65 59.29 2kha s ILE 56 Cb -0.19 -1.91 0.19 0.00 0.01 0.00 0.00 42.46 40.56 2kha s ILE 56 CO 0.18 -0.03 1.08 1.07 0.00 0.00 0.00 174.94 177.24 2kha n THR 57 N 0.74 0.05 -3.40 2.92 5.66 -1.26 0.81 114.28 119.80 2kha n THR 57 Ca -0.17 -0.49 -0.20 0.00 -3.05 0.00 0.00 64.05 60.15 2kha n THR 57 Cb 0.54 0.69 -0.10 0.00 -1.55 0.00 0.00 70.33 69.92 2kha n THR 57 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2kha s LYS 58 N -0.08 0.47 0.24 1.09 1.02 -1.26 -4.90 119.74 116.33 2kha s LYS 58 Ca 0.15 -0.64 -0.04 0.00 0.02 0.00 0.00 55.97 55.46 2kha s LYS 58 Cb 0.17 -0.82 0.05 0.00 -0.52 0.00 0.00 37.83 36.72 2kha s LYS 58 CO -0.07 -1.12 0.12 -2.30 -0.92 0.00 0.00 175.35 171.06 2kha n PRO 59 N 4.68 -1.12 -0.02 -1.68 -0.02 -1.26 -4.83 135.00 130.74 2kha n PRO 59 Ca 0.05 -0.21 -0.03 0.00 -2.02 0.00 0.00 63.50 61.29 2kha n PRO 59 Cb 0.44 -0.34 -0.01 0.00 -0.02 0.00 0.00 33.50 33.57 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 -1.70 0.07 -2.67 -0.52 0.00 0.44 -4.90 118.16 108.89 2kha n LYS 60 Ca 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 58.31 58.35 2kha n LYS 60 Cb 0.09 -0.68 0.03 0.00 0.00 0.00 0.00 35.03 34.47 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 -2.06 0.06 0.00 1.64 2.12 -1.26 -4.90 118.70 114.30 2kha s GLU 61 Ca -0.05 -0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.24 2kha s GLU 61 Cb 0.02 0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.41 2kha s GLU 61 CO 0.06 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.11 2kha n GLY 62 N 2.87 0.66 3.47 -1.50 0.00 -1.26 -4.92 105.19 104.51 2kha n GLY 62 Ca 0.08 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 -0.37 0.95 0.45 1.61 1.70 -1.26 -0.40 118.95 121.63 2kha s ARG 63 Ca 0.00 0.24 -0.03 0.00 -0.47 0.00 0.00 55.73 55.47 2kha s ARG 63 Cb 0.00 0.45 -0.03 0.00 -0.57 0.00 0.00 34.95 34.80 2kha s ARG 63 CO 0.00 -0.28 0.71 -1.58 -1.08 0.00 0.00 175.30 173.07 2kha s TRP 64 N -1.05 3.47 -0.12 5.89 0.52 -0.81 -0.42 118.94 126.41 2kha s TRP 64 Ca -0.10 0.57 -0.02 0.00 0.02 0.00 0.00 56.10 56.57 2kha s TRP 64 Cb -0.01 -2.22 0.04 0.00 -1.15 0.00 0.00 33.47 30.12 2kha s TRP 64 CO 0.08 -0.22 0.00 0.99 0.02 0.00 0.00 176.95 177.82 2kha s THR 65 N -2.61 0.52 -0.60 2.01 2.01 -1.26 -2.43 115.64 113.28 2kha s THR 65 Ca 0.46 -0.16 -0.09 0.00 0.31 0.00 0.00 61.69 62.20 2kha s THR 65 Cb -0.10 -0.77 0.15 0.00 0.01 0.00 0.00 72.50 71.79 2kha s THR 65 CO 0.41 0.12 0.48 0.12 -0.69 0.00 0.00 174.62 175.06 2kha s PHE 66 N 1.90 3.49 -0.12 4.92 2.19 -0.76 -4.96 117.98 124.65 2kha s PHE 66 Ca 0.03 -2.08 -0.06 0.00 0.33 0.00 0.00 56.93 55.15 2kha s PHE 66 Cb -0.14 -3.52 -0.04 0.00 -1.31 0.00 0.00 43.02 38.01 2kha s PHE 66 CO -0.07 -0.96 0.11 1.03 1.83 0.00 0.00 175.22 177.17 2kha s ARG 67 N 0.74 3.37 -0.22 10.12 0.52 -1.26 -1.65 118.95 130.56 2kha s ARG 67 Ca 0.11 -0.18 -0.04 0.00 -0.52 0.00 0.00 55.73 55.10 2kha s ARG 67 Cb -0.21 -3.12 0.08 0.00 0.52 0.00 0.00 34.95 32.21 2kha s ARG 67 CO -0.03 0.76 0.09 0.34 0.02 0.00 0.00 175.30 176.48 2kha s ASP 68 N -0.98 2.97 -0.13 0.23 -1.08 0.11 -4.95 116.67 112.83 2kha s ASP 68 Ca 0.15 -0.95 0.05 0.00 -0.52 0.00 0.00 52.55 51.28 2kha s ASP 68 Cb -0.12 -0.41 0.36 0.00 -1.46 0.00 0.00 42.92 41.30 2kha s ASP 68 CO 0.04 -0.37 1.17 0.54 0.52 0.00 0.00 175.17 177.06 2kha n ARG 69 N 5.18 2.51 -2.60 4.34 1.74 -1.26 0.13 116.66 126.69 2kha n ARG 69 Ca -0.07 -1.44 0.00 0.00 -0.77 0.00 0.00 57.85 55.57 2kha n ARG 69 Cb 0.46 -1.78 0.05 0.00 -1.02 0.00 0.00 32.46 30.17 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 0.15 1.32 -4.43 0.55 4.05 -1.25 -4.68 115.26 110.97 2kha n ASN 70 Ca 0.17 -2.03 -0.38 0.00 0.45 0.00 0.00 54.58 52.79 2kha n ASN 70 Cb 0.78 -0.39 -0.12 0.00 1.23 0.00 0.00 39.78 41.28 2kha n ASN 70 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2kha s ALA 71 N -3.00 3.25 -1.16 5.20 0.00 -1.25 -5.00 121.76 119.80 2kha s ALA 71 Ca 0.27 -1.38 -0.20 0.00 0.00 0.00 0.00 51.96 50.65 2kha s ALA 71 Cb 0.33 -2.34 -0.05 0.00 0.00 0.00 0.00 23.12 21.07 2kha s ALA 71 CO -0.06 -0.88 1.92 1.17 0.00 0.00 0.00 175.76 177.90 2kha n LYS 72 N 4.97 2.16 -3.72 0.00 4.81 -1.26 -3.59 118.16 121.53 2kha n LYS 72 Ca -0.14 -2.57 -0.37 0.00 -0.87 0.00 0.00 58.31 54.36 2kha n LYS 72 Cb 0.49 -3.44 -0.06 0.00 0.02 0.00 0.00 35.03 32.04 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 5.98 4.41 0.07 3.14 1.43 -1.26 -5.10 118.68 127.34 2kha s LEU 73 Ca 0.59 0.65 0.03 0.00 -1.03 0.00 0.00 54.13 54.37 2kha s LEU 73 Cb 0.06 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 2kha s LEU 73 CO 0.09 0.36 -0.09 -0.75 0.23 0.00 0.00 176.35 176.19 2kha s LYS 74 N -0.94 0.69 0.30 1.70 2.36 -1.26 -4.91 119.74 117.68 2kha s LYS 74 Ca 0.18 -0.96 -0.29 0.00 -2.55 0.00 0.00 55.97 52.35 2kha s LYS 74 Cb -0.14 -0.42 -0.13 0.00 -1.05 0.00 0.00 37.83 36.10 2kha s LYS 74 CO 0.07 0.07 1.34 -0.11 1.55 0.00 0.00 175.35 178.27 2kha n LEU 75 N 1.01 3.39 0.00 5.43 -0.00 -1.25 -1.79 117.00 123.79 2kha n LEU 75 Ca -0.19 1.18 0.00 0.00 -0.00 0.00 0.00 56.01 57.00 2kha n LEU 75 Cb 0.56 -1.46 0.00 0.00 -0.00 0.00 0.00 43.42 42.52 2kha n LEU 75 CO 0.23 -0.48 0.00 0.61 -0.00 0.00 0.00 177.39 177.76 2kha n GLY 76 N 1.36 2.85 3.63 -3.96 0.00 -1.24 -4.91 105.19 102.92 2kha n GLY 76 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 0.34 -0.05 -4.38 1.61 -0.08 -0.74 -4.80 116.55 108.45 2kha n ASP 77 Ca 0.00 0.40 -0.21 0.00 -1.51 0.00 0.00 54.79 53.47 2kha n ASP 77 Cb 0.00 -1.44 -0.10 0.00 2.34 0.00 0.00 41.12 41.92 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 -4.49 1.43 0.04 -0.67 2.20 -1.26 -1.77 119.74 115.22 2kha s LYS 78 Ca 0.66 -1.62 0.07 0.00 -0.36 0.00 0.00 55.97 54.72 2kha s LYS 78 Cb -0.23 -1.35 -0.03 0.00 -1.51 0.00 0.00 37.83 34.71 2kha s LYS 78 CO 0.60 0.24 -0.18 0.42 -0.36 0.00 0.00 175.35 176.07 2kha s ILE 79 N -2.70 2.81 -0.09 5.43 1.09 0.29 -1.78 121.20 126.25 2kha s ILE 79 Ca 0.24 -1.18 -0.04 0.00 -1.10 0.00 0.00 60.65 58.57 2kha s ILE 79 Cb -0.03 -2.18 0.05 0.00 -1.06 0.00 0.00 42.46 39.23 2kha s ILE 79 CO 0.09 0.33 0.18 -0.31 -0.10 0.00 0.00 174.94 175.14 2kha s TYR 80 N -0.93 -0.23 0.11 3.97 2.02 -0.94 -1.90 117.35 119.45 2kha s TYR 80 Ca 0.15 0.63 -0.05 0.00 -0.37 0.00 0.00 57.07 57.43 2kha s TYR 80 Cb -0.10 -0.09 0.02 0.00 -0.40 0.00 0.00 41.96 41.38 2kha s TYR 80 CO 0.05 -0.23 0.26 1.97 -1.57 0.00 0.00 175.55 176.04 2kha n PHE 81 N 4.61 -1.34 -3.68 2.71 -1.74 -0.30 0.24 117.46 117.95 2kha n PHE 81 Ca -0.19 -0.56 -0.11 0.00 -0.56 0.00 0.00 57.45 56.04 2kha n PHE 81 Cb 0.51 0.28 -0.09 0.00 1.52 0.00 0.00 39.48 41.70 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 -6.53 -0.69 0.31 2.97 1.48 0.66 -1.53 118.94 115.61 2kha s TRP 82 Ca 0.05 1.50 0.06 0.00 -1.06 0.00 0.00 56.10 56.65 2kha s TRP 82 Cb -0.01 0.32 -0.02 0.00 -1.16 0.00 0.00 33.47 32.60 2kha s TRP 82 CO 0.03 -0.36 0.44 0.95 -4.06 0.00 0.00 176.95 173.96 2kha s THR 83 N 1.04 4.46 -0.08 0.66 -4.23 -1.06 -1.61 115.64 114.82 2kha s THR 83 Ca -0.06 -0.97 -0.03 0.00 -1.18 0.00 0.00 61.69 59.45 2kha s THR 83 Cb -0.06 -3.56 0.04 0.00 1.34 0.00 0.00 72.50 70.26 2kha s THR 83 CO -0.09 -0.22 0.16 -0.47 -0.54 0.00 0.00 174.62 173.45 2kha s TYR 84 N -2.13 -0.18 0.36 3.99 5.04 0.31 -1.79 117.35 122.94 2kha s TYR 84 Ca 0.42 0.57 0.09 0.00 -2.44 0.00 0.00 57.07 55.71 2kha s TYR 84 Cb -0.09 -0.17 -0.07 0.00 0.35 0.00 0.00 41.96 41.98 2kha s TYR 84 CO 0.31 -0.23 -0.06 0.14 -1.34 0.00 0.00 175.55 174.37 2kha s VAL 85 N 1.77 2.22 -0.22 3.14 -7.23 0.39 0.23 120.40 120.70 2kha s VAL 85 Ca -0.03 -2.13 -0.04 0.00 -1.81 0.00 0.00 61.98 57.97 2kha s VAL 85 Cb -0.12 -2.74 0.08 0.00 0.56 0.00 0.00 36.38 34.16 2kha s VAL 85 CO -0.06 -0.15 0.14 -0.63 -0.31 0.00 0.00 175.10 174.08 2kha s ILE 86 N -2.62 -0.14 -0.97 -0.62 -1.09 0.21 -2.16 121.20 113.80 2kha s ILE 86 Ca 0.33 -0.36 -0.01 0.00 -2.23 0.00 0.00 60.65 58.39 2kha s ILE 86 Cb 0.04 -0.74 0.31 0.00 -1.58 0.00 0.00 42.46 40.49 2kha s ILE 86 CO 0.17 -0.42 1.53 1.17 -1.23 0.00 0.00 174.94 176.16 2kha n LYS 87 N 5.28 4.65 -2.52 2.79 0.00 -1.02 0.37 118.16 127.71 2kha n LYS 87 Ca -0.06 -4.65 -0.05 0.00 0.00 0.00 0.00 58.31 53.55 2kha n LYS 87 Cb 0.47 -2.44 0.02 0.00 0.00 0.00 0.00 35.03 33.08 2kha n LYS 87 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2kha n ASP 88 N 0.49 -5.19 -1.11 3.14 -0.08 -1.26 -3.75 116.55 108.80 2kha n ASP 88 Ca 0.36 -0.26 -0.10 0.00 -1.51 0.00 0.00 54.79 53.29 2kha n ASP 88 Cb 0.31 -3.52 -0.01 0.00 2.34 0.00 0.00 41.12 40.24 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 -1.40 0.09 2.36 0.27 0.00 -1.26 -4.96 105.19 100.28 2kha n GLY 89 Ca -0.02 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.41 -0.66 -4.87 0.99 4.77 -1.25 -5.13 117.00 109.44 2kha n LEU 90 Ca -0.12 -4.30 -0.31 0.00 -0.03 0.00 0.00 56.01 51.25 2kha n LEU 90 Cb 0.56 0.65 0.03 0.00 -2.33 0.00 0.00 43.42 42.33 2kha n LEU 90 CO 0.14 1.99 0.73 -0.83 -1.33 0.00 0.00 177.39 178.09 2kha s GLY 91 N -0.74 1.65 -0.12 -0.72 0.00 -1.25 -2.42 107.32 103.72 2kha s GLY 91 Ca 0.34 -0.19 -0.17 0.00 0.00 0.00 0.00 44.72 44.70 2kha s GLY 91 CO -0.15 0.13 0.43 -0.19 0.00 0.00 0.00 173.10 173.32 2kha s TYR 92 N -3.25 -0.43 0.02 1.90 2.02 -0.92 -4.93 117.35 111.77 2kha s TYR 92 Ca 0.57 0.96 0.06 0.00 -0.37 0.00 0.00 57.07 58.29 2kha s TYR 92 Cb -0.11 0.17 -0.02 0.00 -0.40 0.00 0.00 41.96 41.60 2kha s TYR 92 CO 0.53 -0.30 -0.19 -0.98 -1.57 0.00 0.00 175.55 173.04 2kha s ARG 93 N -0.27 1.35 -1.08 -0.62 1.70 -1.25 -0.46 118.95 118.32 2kha s ARG 93 Ca -0.04 -0.79 -0.06 0.00 -0.47 0.00 0.00 55.73 54.37 2kha s ARG 93 Cb -0.03 -1.38 0.29 0.00 -0.57 0.00 0.00 34.95 33.26 2kha s ARG 93 CO 0.02 0.36 1.26 0.94 -1.08 0.00 0.00 175.30 176.80 2kha n GLN 94 N 2.18 3.90 -1.79 3.89 7.27 -0.74 -4.75 117.38 127.34 2kha n GLN 94 Ca -0.16 -4.51 -0.29 0.00 0.07 0.00 0.00 57.00 52.10 2kha n GLN 94 Cb 0.54 -2.52 0.16 0.00 2.41 0.00 0.00 30.24 30.83 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 -0.23 3.32 -1.83 1.69 -4.77 -1.26 -2.57 116.67 111.02 2kha s ASP 95 Ca 0.31 0.53 0.00 0.00 -3.30 0.00 0.00 52.55 50.09 2kha s ASP 95 Cb -0.03 -0.79 0.00 0.00 -1.09 0.00 0.00 42.92 41.02 2kha s ASP 95 CO 0.00 -2.63 0.00 -3.20 0.70 0.00 0.00 175.17 170.05 2kha n ASN 96 N -3.75 -5.58 -4.88 2.11 5.15 -1.19 -4.92 115.26 102.21 2kha n ASN 96 Ca 0.12 0.43 -0.30 0.00 -0.60 0.00 0.00 54.58 54.22 2kha n ASN 96 Cb 0.60 -4.60 0.01 0.00 -0.53 0.00 0.00 39.78 35.26 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 1.63 0.15 8.20 0.00 -0.58 -4.92 107.32 109.16 2kha s GLY 97 Ca 0.00 -0.17 -0.17 0.00 0.00 0.00 0.00 44.72 44.39 2kha s GLY 97 CO 0.00 0.08 0.45 -1.83 0.00 0.00 0.00 173.10 171.81 2kha s GLU 98 N -5.08 1.19 0.18 2.90 1.03 -1.26 -1.15 118.70 116.50 2kha s GLU 98 Ca 0.54 -0.75 -0.09 0.00 0.03 0.00 0.00 54.97 54.69 2kha s GLU 98 Cb -0.11 0.49 -0.01 0.00 -0.80 0.00 0.00 34.13 33.70 2kha s GLU 98 CO 0.52 -0.48 0.30 -0.46 -1.33 0.00 0.00 175.26 173.81 2kha s TRP 99 N -3.83 0.45 0.19 4.83 -0.00 -0.80 -4.93 118.94 114.86 2kha s TRP 99 Ca 0.05 -0.80 0.07 0.00 -0.00 0.00 0.00 56.10 55.42 2kha s TRP 99 Cb 0.01 -0.06 -0.04 0.00 -0.00 0.00 0.00 33.47 33.38 2kha s TRP 99 CO -0.09 -0.75 0.03 -0.08 -0.00 0.00 0.00 176.95 176.06 2kha s THR 100 N -3.99 3.81 -0.13 5.86 -1.32 -1.26 0.10 115.64 118.71 2kha s THR 100 Ca 0.20 -1.45 0.01 0.00 -1.21 0.00 0.00 61.69 59.24 2kha s THR 100 Cb 0.03 -2.95 0.03 0.00 -1.51 0.00 0.00 72.50 68.11 2kha s THR 100 CO 0.02 -0.16 0.93 0.52 -2.21 0.00 0.00 174.62 173.72 2kha n VAL 101 N -0.32 0.79 0.55 5.08 0.31 -0.73 -4.64 118.33 119.38 2kha n VAL 101 Ca -0.09 -0.89 0.08 0.00 -0.01 0.00 0.00 64.34 63.42 2kha n VAL 101 Cb 0.56 0.61 0.34 0.00 -0.91 0.00 0.00 33.84 34.44 2kha n VAL 101 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2kha n THR 102 N -0.27 0.90 -4.46 2.52 -1.04 -1.26 -3.67 114.28 106.99 2kha n THR 102 Ca 0.01 0.22 -0.23 0.00 -2.04 0.00 0.00 64.05 62.02 2kha n THR 102 Cb 0.22 -0.95 -0.10 0.00 -1.82 0.00 0.00 70.33 67.68 2kha n THR 102 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2kha s GLU 103 N -2.99 1.63 -0.06 -2.82 -1.05 -1.26 -4.81 118.70 107.34 2kha s GLU 103 Ca 0.08 -1.81 -0.01 0.00 -0.15 0.00 0.00 54.97 53.07 2kha s GLU 103 Cb 0.10 -1.38 0.03 0.00 -0.44 0.00 0.00 34.13 32.44 2kha s GLU 103 CO 0.29 0.11 0.02 -0.06 0.95 0.00 0.00 175.26 176.57 2kha s PHE 104 N -2.84 0.43 0.00 4.83 0.08 -1.26 -4.42 117.98 114.80 2kha s PHE 104 Ca 0.30 -0.00 0.00 0.00 0.12 0.00 0.00 56.93 57.35 2kha s PHE 104 Cb 0.02 -0.66 0.00 0.00 -0.57 0.00 0.00 43.02 41.81 2kha s PHE 104 CO 0.13 -0.26 0.00 1.33 -0.10 0.00 0.00 175.22 176.32 2kha n VAL 105 N 5.12 0.00 -4.32 -0.44 0.24 0.33 -3.15 118.33 116.10 2kha n VAL 105 Ca -0.07 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.91 2kha n VAL 105 Cb 0.50 -1.08 -0.09 0.00 -1.47 0.00 0.00 33.84 31.70 2kha n VAL 105 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2kha s ASN 106 N -1.00 4.91 0.59 -1.34 2.47 0.84 -4.02 114.94 117.40 2kha s ASN 106 Ca 0.00 -0.09 0.29 0.00 0.42 0.00 0.00 52.86 53.48 2kha s ASN 106 Cb 0.00 -1.21 1.57 0.00 -1.45 0.00 0.00 41.25 40.15 2kha s ASN 106 CO 0.00 0.27 1.87 -0.33 -3.72 0.00 0.00 177.10 175.18 2kha h GLU 107 N 4.27 0.00 0.00 0.43 5.08 -1.86 0.89 114.58 123.40 2kha h GLU 107 Ca -0.49 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.80 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 0.56 0.00 -0.35 0.22 -1.00 0.00 0.00 179.01 178.44 2kha h ASP 108 N 0.00 0.00 0.00 1.42 3.58 -1.93 -3.46 116.42 116.03 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 0.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.58 2kha h ASP 108 CO 0.00 0.35 0.00 0.61 -2.88 0.00 0.00 179.24 177.32 2kha n GLY 109 N -0.40 1.91 3.09 -0.78 0.00 0.31 -5.14 105.19 104.18 2kha n GLY 109 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 2kha n GLY 109 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kha s THR 110 N -2.00 0.11 -0.67 2.61 -4.23 -1.19 -4.91 115.64 105.36 2kha s THR 110 Ca 0.00 -0.91 -0.27 0.00 -1.18 0.00 0.00 61.69 59.33 2kha s THR 110 Cb 0.00 -0.62 -0.27 0.00 1.34 0.00 0.00 72.50 72.95 2kha s THR 110 CO 0.00 -0.50 1.87 -2.65 -0.54 0.00 0.00 174.62 172.80 2kha n PRO 111 N 1.16 0.06 -3.65 3.99 -0.02 -1.26 0.29 135.00 135.57 2kha n PRO 111 Ca -0.21 -1.38 -0.03 0.00 -2.02 0.00 0.00 63.50 59.85 2kha n PRO 111 Cb 0.57 -3.32 -0.06 0.00 -0.02 0.00 0.00 33.50 30.67 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 13.20 -1.78 -0.50 3.55 0.00 -1.19 -4.83 121.76 130.20 2kha s ALA 112 Ca 0.73 2.11 0.03 0.00 0.00 0.00 0.00 51.96 54.83 2kha s ALA 112 Cb 0.02 -1.63 0.14 0.00 0.00 0.00 0.00 23.12 21.65 2kha s ALA 112 CO 0.23 -0.85 0.28 0.34 0.00 0.00 0.00 175.76 175.76 2kha s ASP 113 N 2.75 4.03 -0.90 0.00 2.15 -1.25 -1.70 116.67 121.76 2kha s ASP 113 Ca -0.05 -2.95 -0.16 0.00 0.43 0.00 0.00 52.55 49.82 2kha s ASP 113 Cb -0.12 -1.37 0.17 0.00 -0.30 0.00 0.00 42.92 41.31 2kha s ASP 113 CO -0.17 -0.23 0.98 -0.89 -0.17 0.00 0.00 175.17 174.69 2kha s THR 114 N -0.15 5.14 -0.38 1.71 2.01 -1.26 -4.83 115.64 117.88 2kha s THR 114 Ca 0.18 -2.02 0.12 0.00 0.31 0.00 0.00 61.69 60.28 2kha s THR 114 Cb -0.22 -4.65 0.44 0.00 0.01 0.00 0.00 72.50 68.07 2kha s THR 114 CO -0.02 -1.30 1.01 -1.54 -0.69 0.00 0.00 174.62 172.08 2kha n SER 115 N 5.35 2.88 -3.36 3.53 3.41 -1.26 -4.95 113.62 119.22 2kha n SER 115 Ca 0.20 -3.17 -0.25 0.00 -0.26 0.00 0.00 58.87 55.39 2kha n SER 115 Cb 0.48 -0.50 -0.09 0.00 -0.26 0.00 0.00 64.21 63.83 2kha n SER 115 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2kha s LEU 116 N -3.28 0.88 0.06 1.04 0.20 -1.26 -5.12 118.68 111.20 2kha s LEU 116 Ca 0.37 -2.56 0.07 0.00 0.69 0.00 0.00 54.13 52.69 2kha s LEU 116 Cb 0.43 -0.12 -0.03 0.00 -0.43 0.00 0.00 46.19 46.04 2kha s LEU 116 CO -0.07 -0.21 -0.18 -1.61 -0.29 0.00 0.00 176.35 174.00 2kha s GLU 117 N 0.55 1.12 0.00 1.98 0.41 -1.26 -5.30 118.70 116.19 2kha s GLU 117 Ca 0.27 -0.94 0.18 0.00 -0.41 0.00 0.00 54.97 54.07 2kha s GLU 117 Cb -0.06 -1.23 1.09 0.00 -1.78 0.00 0.00 34.13 32.16 2kha s GLU 117 CO -0.11 0.30 1.49 -0.35 -0.49 0.00 0.00 175.26 176.10