#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kha n TYR 7 N 0.00 -2.25 -4.40 1.08 9.36 -1.26 -5.05 117.16 114.64 2kha n TYR 7 Ca 0.00 -0.42 -0.24 0.00 3.32 0.00 0.00 57.90 60.57 2kha n TYR 7 Cb 0.00 -1.56 -0.09 0.00 -0.63 0.00 0.00 39.34 37.06 2kha n TYR 7 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2kha s VAL 8 N -2.29 2.87 0.26 2.97 1.01 -1.26 -5.01 120.40 118.95 2kha s VAL 8 Ca 0.69 -2.20 -0.29 0.00 0.00 0.00 0.00 61.98 60.17 2kha s VAL 8 Cb -0.21 -2.51 -0.09 0.00 0.00 0.00 0.00 36.38 33.56 2kha s VAL 8 CO 0.63 -0.38 1.24 0.54 0.00 0.00 0.00 175.10 177.12 2kha s VAL 9 N -2.42 3.16 0.66 2.92 0.11 -1.26 -5.02 120.40 118.55 2kha s VAL 9 Ca 0.30 1.08 -0.11 0.00 -2.93 0.00 0.00 61.98 60.32 2kha s VAL 9 Cb -0.06 -3.69 0.17 0.00 -1.53 0.00 0.00 36.38 31.28 2kha s VAL 9 CO 0.17 0.22 0.46 -0.81 -3.33 0.00 0.00 175.10 171.81 2kha n PRO 10 N 1.59 -2.90 -3.83 1.54 -0.04 -1.26 -4.88 135.00 125.23 2kha n PRO 10 Ca 0.02 -0.75 -0.36 0.00 -0.04 0.00 0.00 63.50 62.37 2kha n PRO 10 Cb 0.43 -0.86 -0.13 0.00 -0.04 0.00 0.00 33.50 32.90 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 -2.67 4.81 -0.67 3.54 0.15 -1.26 -4.74 113.70 112.85 2kha s SER 11 Ca 0.33 -0.62 -0.27 0.00 0.70 0.00 0.00 55.95 56.09 2kha s SER 11 Cb -0.05 -1.82 -0.00 0.00 -1.71 0.00 0.00 66.02 62.44 2kha s SER 11 CO 0.27 -0.13 1.66 0.00 1.20 0.00 0.00 173.24 176.24 2kha s ALA 12 N 1.48 2.36 -0.44 5.45 0.00 -1.25 -4.20 121.76 125.15 2kha s ALA 12 Ca 0.03 -0.94 -0.24 0.00 0.00 0.00 0.00 51.96 50.81 2kha s ALA 12 Cb -0.16 -4.30 0.02 0.00 0.00 0.00 0.00 23.12 18.68 2kha s ALA 12 CO 0.00 -3.72 0.82 0.15 0.00 0.00 0.00 175.76 173.02 2kha s LYS 13 N 6.57 3.48 0.31 0.00 1.02 0.35 -4.81 119.74 126.68 2kha s LYS 13 Ca 0.56 0.02 0.07 0.00 0.02 0.00 0.00 55.97 56.64 2kha s LYS 13 Cb -0.11 -3.92 -0.03 0.00 -0.52 0.00 0.00 37.83 33.26 2kha s LYS 13 CO 0.18 -1.11 0.28 -0.51 -0.92 0.00 0.00 175.35 173.27 2kha s LEU 14 N 3.38 3.68 -0.15 3.17 1.02 -1.26 -0.17 118.68 128.36 2kha s LEU 14 Ca 0.32 -0.42 -0.14 0.00 0.02 0.00 0.00 54.13 53.91 2kha s LEU 14 Cb -0.12 -2.28 0.04 0.00 0.02 0.00 0.00 46.19 43.85 2kha s LEU 14 CO 0.23 -0.28 0.40 -1.61 0.02 0.00 0.00 176.35 175.10 2kha s GLU 15 N -3.97 0.47 -0.26 1.70 8.01 0.39 -4.94 118.70 120.09 2kha s GLU 15 Ca 0.39 0.53 -0.23 0.00 0.01 0.00 0.00 54.97 55.68 2kha s GLU 15 Cb -0.06 0.23 -0.01 0.00 -4.31 0.00 0.00 34.13 29.98 2kha s GLU 15 CO 0.26 -0.06 0.77 0.00 0.01 0.00 0.00 175.26 176.24 2kha s ALA 16 N 0.17 3.60 0.23 5.21 0.00 -1.26 -2.06 121.76 127.65 2kha s ALA 16 Ca -0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 51.96 51.61 2kha s ALA 16 Cb -0.03 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.81 2kha s ALA 16 CO 0.01 -0.98 0.49 0.42 0.00 0.00 0.00 175.76 175.69 2kha s ILE 17 N 2.79 5.07 0.10 0.00 -1.09 -1.17 0.15 121.20 127.05 2kha s ILE 17 Ca 0.32 0.07 0.09 0.00 -2.23 0.00 0.00 60.65 58.90 2kha s ILE 17 Cb -0.15 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 2kha s ILE 17 CO 0.09 -0.17 -0.18 -0.47 -1.23 0.00 0.00 174.94 172.98 2kha s TYR 18 N -1.90 2.53 -1.32 3.97 5.04 -1.25 -2.28 117.35 122.13 2kha s TYR 18 Ca 0.43 -0.27 0.29 0.00 -2.44 0.00 0.00 57.07 55.09 2kha s TYR 18 Cb -0.11 -1.36 1.36 0.00 0.35 0.00 0.00 41.96 42.20 2kha s TYR 18 CO 0.27 0.36 1.97 -2.30 -1.34 0.00 0.00 175.55 174.51 2kha n PRO 19 N 0.93 0.32 -3.04 4.97 -0.02 -1.26 -4.76 135.00 132.15 2kha n PRO 19 Ca -0.16 -0.03 0.03 0.00 -2.02 0.00 0.00 63.50 61.32 2kha n PRO 19 Cb 0.53 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.51 2kha n PRO 19 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2kha s ARG 20 N -2.70 0.42 0.00 -0.52 1.70 -1.21 -4.98 118.95 111.67 2kha s ARG 20 Ca 0.24 0.01 0.00 0.00 -0.47 0.00 0.00 55.73 55.51 2kha s ARG 20 Cb 0.20 0.09 0.00 0.00 -0.57 0.00 0.00 34.95 34.67 2kha s ARG 20 CO 0.49 -0.66 0.00 0.41 -1.08 0.00 0.00 175.30 174.46 2kha n GLY 21 N 4.45 2.36 3.49 3.88 0.00 -0.97 -3.98 105.19 114.43 2kha n GLY 21 Ca 0.08 -1.01 -0.17 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.41 -0.24 0.99 2.96 0.27 -3.05 118.68 119.19 2kha s LEU 22 Ca 0.00 0.73 -0.03 0.00 -0.22 0.00 0.00 54.13 54.61 2kha s LEU 22 Cb 0.00 2.31 0.10 0.00 0.50 0.00 0.00 46.19 49.10 2kha s LEU 22 CO 0.00 -0.52 0.19 -0.60 -1.32 0.00 0.00 176.35 174.10 2kha s ARG 23 N -0.95 0.20 0.27 1.98 6.06 -0.88 -1.88 118.95 123.75 2kha s ARG 23 Ca -0.10 -0.14 0.10 0.00 -2.50 0.00 0.00 55.73 53.09 2kha s ARG 23 Cb -0.02 -1.18 -0.04 0.00 0.06 0.00 0.00 34.95 33.77 2kha s ARG 23 CO 0.08 -0.85 -0.01 0.08 -2.50 0.00 0.00 175.30 172.09 2kha s VAL 24 N 2.23 3.41 -0.12 7.11 1.01 -0.67 -0.47 120.40 132.92 2kha s VAL 24 Ca 0.07 -1.93 -0.21 0.00 0.00 0.00 0.00 61.98 59.91 2kha s VAL 24 Cb -0.15 -2.82 0.05 0.00 0.00 0.00 0.00 36.38 33.45 2kha s VAL 24 CO -0.24 -0.37 0.52 -0.44 0.00 0.00 0.00 175.10 174.58 2kha s SER 25 N -3.66 -0.50 -0.12 3.32 0.01 0.76 -2.00 113.70 111.51 2kha s SER 25 Ca 0.31 0.76 -0.04 0.00 1.31 0.00 0.00 55.95 58.29 2kha s SER 25 Cb -0.06 0.77 0.06 0.00 0.21 0.00 0.00 66.02 66.99 2kha s SER 25 CO 0.20 -0.36 0.14 0.27 0.41 0.00 0.00 173.24 173.89 2kha s ILE 26 N -0.49 -0.21 -0.58 1.44 -4.36 -1.00 0.13 121.20 116.14 2kha s ILE 26 Ca -0.06 0.17 -0.34 0.00 -0.26 0.00 0.00 60.65 60.15 2kha s ILE 26 Cb -0.03 -0.40 -0.15 0.00 1.25 0.00 0.00 42.46 43.13 2kha s ILE 26 CO 0.04 -0.01 2.36 -2.65 0.24 0.00 0.00 174.94 174.92 2kha n PRO 27 N 5.31 0.55 -2.36 0.37 -0.02 -1.26 -2.51 135.00 135.09 2kha n PRO 27 Ca -0.05 0.10 -0.35 0.00 -2.02 0.00 0.00 63.50 61.18 2kha n PRO 27 Cb 0.50 -2.16 -0.01 0.00 -0.02 0.00 0.00 33.50 31.81 2kha n PRO 27 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2kha s ASP 28 N 8.31 6.06 -0.31 2.55 2.15 -0.39 -4.59 116.67 130.44 2kha s ASP 28 Ca 1.17 2.13 0.17 0.00 0.43 0.00 0.00 52.55 56.45 2kha s ASP 28 Cb -0.99 -2.58 0.47 0.00 -0.30 0.00 0.00 42.92 39.52 2kha s ASP 28 CO 0.49 -0.98 1.06 -0.67 -0.17 0.00 0.00 175.17 174.89 2kha n ASP 29 N -0.94 2.37 -1.84 -0.34 2.03 -1.26 -4.77 116.55 111.80 2kha n ASP 29 Ca 0.10 -2.74 -0.12 0.00 0.52 0.00 0.00 54.79 52.54 2kha n ASP 29 Cb 0.51 -0.48 0.03 0.00 -0.72 0.00 0.00 41.12 40.45 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 -0.38 0.10 0.85 0.27 0.00 -1.26 -5.01 105.19 99.75 2kha n GLY 30 Ca 0.17 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.87 -3.85 0.00 1.61 3.72 -1.26 -4.72 117.46 109.09 2kha n PHE 31 Ca -0.04 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 2kha n PHE 31 Cb 0.55 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 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 -3.23 1.73 -3.75 4.37 3.41 1.13 -4.88 113.62 112.40 2kha n SER 32 Ca 0.04 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.49 2kha n SER 32 Cb 0.13 0.23 -0.16 0.00 -0.26 0.00 0.00 64.21 64.15 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 -1.73 0.84 -0.45 1.04 2.96 -1.02 -4.54 118.68 115.78 2kha s LEU 33 Ca 0.00 0.09 0.04 0.00 -0.22 0.00 0.00 54.13 54.04 2kha s LEU 33 Cb 0.00 -0.01 0.12 0.00 0.50 0.00 0.00 46.19 46.80 2kha s LEU 33 CO 0.00 -0.15 0.18 0.12 -1.32 0.00 0.00 176.35 175.18 2kha s PHE 34 N 1.30 3.32 -0.27 5.38 5.36 -0.66 0.64 117.98 133.05 2kha s PHE 34 Ca -0.06 -3.06 -0.15 0.00 -0.96 0.00 0.00 56.93 52.70 2kha s PHE 34 Cb -0.13 -2.80 -0.04 0.00 -0.34 0.00 0.00 43.02 39.71 2kha s PHE 34 CO -0.03 -0.82 0.37 0.00 -1.46 0.00 0.00 175.22 173.27 2kha s ALA 35 N 0.19 3.56 -0.17 11.12 0.00 0.46 -1.38 121.76 135.54 2kha s ALA 35 Ca 0.15 -0.81 -0.06 0.00 0.00 0.00 0.00 51.96 51.24 2kha s ALA 35 Cb -0.23 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.16 2kha s ALA 35 CO -0.03 -0.63 0.02 0.12 0.00 0.00 0.00 175.76 175.23 2kha s PHE 36 N 2.01 3.15 -0.16 0.00 2.19 -0.98 0.73 117.98 124.92 2kha s PHE 36 Ca 0.15 -0.08 -0.00 0.00 0.33 0.00 0.00 56.93 57.32 2kha s PHE 36 Cb -0.16 -2.01 0.04 0.00 -1.31 0.00 0.00 43.02 39.58 2kha s PHE 36 CO 0.10 0.09 -0.07 -1.58 1.83 0.00 0.00 175.22 175.58 2kha s HIS 37 N 0.31 1.82 -0.21 10.12 2.46 -0.75 -2.27 115.29 126.77 2kha s HIS 37 Ca 0.00 -1.12 -0.19 0.00 0.47 0.00 0.00 55.06 54.22 2kha s HIS 37 Cb -0.13 -1.38 0.05 0.00 -0.13 0.00 0.00 32.58 31.00 2kha s HIS 37 CO 0.01 -0.62 0.56 0.20 -2.47 0.00 0.00 174.74 172.42 2kha s GLY 38 N 1.60 -0.42 0.05 1.59 0.00 -0.67 -0.49 107.32 108.98 2kha s GLY 38 Ca 0.02 1.59 0.08 0.00 0.00 0.00 0.00 44.72 46.41 2kha s GLY 38 CO -0.08 1.38 -0.20 1.25 0.00 0.00 0.00 173.10 175.45 2kha s LYS 39 N 0.32 1.97 -0.23 2.90 2.47 0.24 0.17 119.74 127.58 2kha s LYS 39 Ca -0.00 -1.04 -0.17 0.00 -1.56 0.00 0.00 55.97 53.20 2kha s LYS 39 Cb -0.04 -2.13 -0.03 0.00 -1.46 0.00 0.00 37.83 34.17 2kha s LYS 39 CO 0.00 0.53 0.45 -1.17 0.16 0.00 0.00 175.35 175.32 2kha s LEU 40 N -1.48 4.10 -0.87 5.43 2.96 -1.26 -2.15 118.68 125.42 2kha s LEU 40 Ca 0.14 0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 54.53 2kha s LEU 40 Cb -0.10 -2.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.98 2kha s LEU 40 CO 0.05 -0.18 0.76 -3.20 -1.32 0.00 0.00 176.35 172.46 2kha n ASN 41 N 5.00 -7.01 0.00 3.68 4.05 0.13 -5.00 115.26 116.12 2kha n ASN 41 Ca -0.06 -0.41 0.00 0.00 0.45 0.00 0.00 54.58 54.56 2kha n ASN 41 Cb 0.50 -4.78 0.00 0.00 1.23 0.00 0.00 39.78 36.74 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 -2.46 0.00 0.00 1.20 2.13 -1.26 -5.04 120.64 115.21 2kha n GLU 42 Ca -0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.76 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 -0.71 -3.67 5.31 1.02 -1.26 -4.69 120.64 116.64 2kha n GLU 43 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 2kha n GLU 43 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.26 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 -1.99 0.04 -1.23 3.49 -1.94 -1.26 -4.97 119.30 111.43 2kha s MET 44 Ca 0.00 0.56 -0.08 0.00 -1.71 0.00 0.00 55.69 54.46 2kha s MET 44 Cb 0.00 -0.27 -0.07 0.00 2.01 0.00 0.00 34.83 36.50 2kha s MET 44 CO 0.00 -0.30 2.95 -0.40 -0.01 0.00 0.00 175.02 177.26 2kha n ASP 45 N 5.29 7.93 -0.97 3.03 5.75 -1.26 -4.67 116.55 131.64 2kha n ASP 45 Ca -0.05 -2.70 0.00 0.00 -0.01 0.00 0.00 54.79 52.02 2kha n ASP 45 Cb 0.50 -1.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.11 2kha n ASP 45 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kha n GLY 46 N 2.88 -2.03 2.39 6.12 0.00 -1.26 -4.81 105.19 108.49 2kha n GLY 46 Ca 0.68 -0.57 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.03 -4.92 0.99 4.77 -1.26 -4.92 117.00 110.62 2kha n LEU 47 Ca 0.00 -0.17 -0.27 0.00 -0.03 0.00 0.00 56.01 55.54 2kha n LEU 47 Cb 0.00 -0.72 -0.03 0.00 -2.33 0.00 0.00 43.42 40.34 2kha n LEU 47 CO 0.00 0.05 0.10 -1.61 -1.33 0.00 0.00 177.39 174.60 2kha s GLU 48 N -1.70 3.54 0.34 3.23 0.41 -1.26 -4.98 118.70 118.28 2kha s GLU 48 Ca 0.13 -0.26 0.14 0.00 -0.41 0.00 0.00 54.97 54.57 2kha s GLU 48 Cb -0.01 -2.76 1.07 0.00 -1.78 0.00 0.00 34.13 30.65 2kha s GLU 48 CO 0.40 0.31 1.66 0.00 -0.49 0.00 0.00 175.26 177.14 2kha h ALA 49 N 1.67 1.93 -2.35 5.21 0.00 -2.00 -3.46 119.26 120.27 2kha h ALA 49 Ca -0.48 0.19 0.26 0.00 0.00 0.00 0.00 54.91 54.88 2kha h ALA 49 Cb 1.20 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 19.07 2kha h ALA 49 CO 0.66 -0.56 -0.45 0.41 0.00 0.00 0.00 179.25 179.30 2kha n GLY 50 N -1.29 -1.46 0.00 0.00 0.00 -1.26 -4.58 105.19 96.60 2kha n GLY 50 Ca 0.31 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.23 0.00 -1.53 1.61 8.25 0.44 -4.57 115.22 116.19 2kha n HIS 51 Ca -0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.32 2kha n HIS 51 Cb 0.62 -0.07 -0.10 0.00 1.12 0.00 0.00 29.99 31.56 2kha n HIS 51 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 2kha n TRP 52 N -0.72 0.89 -3.90 4.41 8.01 0.32 -4.70 117.44 121.75 2kha n TRP 52 Ca 0.00 -0.08 -0.31 0.00 -1.31 0.00 0.00 57.50 55.80 2kha n TRP 52 Cb 0.00 -2.33 -0.13 0.00 -2.01 0.00 0.00 31.31 26.84 2kha n TRP 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2kha s ALA 53 N 13.98 3.36 -0.13 6.99 0.00 -1.21 -1.66 121.76 143.09 2kha s ALA 53 Ca 0.85 -3.28 -0.09 0.00 0.00 0.00 0.00 51.96 49.44 2kha s ALA 53 Cb -0.14 -2.26 0.05 0.00 0.00 0.00 0.00 23.12 20.77 2kha s ALA 53 CO 0.16 -2.04 0.33 0.50 0.00 0.00 0.00 175.76 174.71 2kha s ARG 54 N -0.26 0.33 -0.01 0.00 3.52 -0.96 -5.00 118.95 116.56 2kha s ARG 54 Ca 0.17 0.60 -0.18 0.00 -0.13 0.00 0.00 55.73 56.19 2kha s ARG 54 Cb -0.25 0.01 -0.06 0.00 -1.56 0.00 0.00 34.95 33.10 2kha s ARG 54 CO -0.01 -0.12 0.50 0.16 -0.81 0.00 0.00 175.30 175.02 2kha s ASP 55 N 0.96 6.88 0.09 -2.12 1.47 -1.26 -2.33 116.67 120.37 2kha s ASP 55 Ca -0.06 1.04 0.08 0.00 1.18 0.00 0.00 52.55 54.79 2kha s ASP 55 Cb -0.07 -2.31 -0.04 0.00 -0.34 0.00 0.00 42.92 40.16 2kha s ASP 55 CO -0.07 0.19 -0.17 -0.63 0.68 0.00 0.00 175.17 175.17 2kha s ILE 56 N -0.50 2.90 -0.02 2.11 1.01 -0.48 -4.96 121.20 121.26 2kha s ILE 56 Ca 0.27 -1.38 0.08 0.00 0.00 0.00 0.00 60.65 59.61 2kha s ILE 56 Cb -0.17 -2.30 0.13 0.00 0.01 0.00 0.00 42.46 40.13 2kha s ILE 56 CO 0.15 0.17 1.06 0.35 0.00 0.00 0.00 174.94 176.66 2kha n THR 57 N 1.00 0.21 -3.34 2.92 -2.24 -1.26 -1.66 114.28 109.91 2kha n THR 57 Ca -0.15 -0.50 -0.19 0.00 -2.27 0.00 0.00 64.05 60.94 2kha n THR 57 Cb 0.52 0.53 -0.08 0.00 -2.10 0.00 0.00 70.33 69.21 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 -0.32 0.68 1.12 -0.78 -0.14 -1.26 -5.01 119.74 114.04 2kha s LYS 58 Ca 0.11 -1.08 -0.18 0.00 -1.36 0.00 0.00 55.97 53.46 2kha s LYS 58 Cb 0.12 -0.84 0.13 0.00 -1.68 0.00 0.00 37.83 35.56 2kha s LYS 58 CO -0.04 -1.23 0.08 -2.30 -0.76 0.00 0.00 175.35 171.10 2kha n PRO 59 N 3.98 -1.86 -1.58 -1.68 -0.02 -1.26 -4.83 135.00 127.75 2kha n PRO 59 Ca 0.14 -0.53 -0.30 0.00 -2.02 0.00 0.00 63.50 60.78 2kha n PRO 59 Cb 0.45 -1.68 0.06 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 -2.22 3.03 -1.87 -0.52 0.00 0.48 -4.90 118.16 112.17 2kha n LYS 60 Ca 0.02 -3.62 -0.00 0.00 0.00 0.00 0.00 58.31 54.71 2kha n LYS 60 Cb 0.59 -2.28 0.00 0.00 0.00 0.00 0.00 35.03 33.34 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 -0.84 -1.04 -0.39 1.64 1.02 -1.26 -4.21 120.64 115.55 2kha n GLU 61 Ca 0.55 1.18 0.00 0.00 -0.02 0.00 0.00 57.16 58.88 2kha n GLU 61 Cb 0.79 -2.35 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 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 0.18 1.30 3.53 0.62 0.00 -1.26 -4.91 105.19 104.65 2kha n GLY 62 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.17 0.65 0.52 1.61 0.52 -1.26 -1.27 118.95 119.55 2kha s ARG 63 Ca 0.00 1.04 -0.13 0.00 -0.52 0.00 0.00 55.73 56.12 2kha s ARG 63 Cb 0.00 0.16 -0.06 0.00 0.52 0.00 0.00 34.95 35.57 2kha s ARG 63 CO 0.00 -0.14 0.94 -1.58 0.02 0.00 0.00 175.30 174.54 2kha s TRP 64 N 1.24 3.51 -0.08 -0.53 0.52 -1.04 0.18 118.94 122.74 2kha s TRP 64 Ca -0.07 1.28 -0.01 0.00 0.02 0.00 0.00 56.10 57.32 2kha s TRP 64 Cb -0.06 -2.66 0.03 0.00 -1.15 0.00 0.00 33.47 29.63 2kha s TRP 64 CO -0.13 -0.40 -0.01 0.99 0.02 0.00 0.00 176.95 177.43 2kha s THR 65 N -2.73 0.48 -0.64 2.01 2.01 -1.26 -2.36 115.64 113.14 2kha s THR 65 Ca 0.55 0.02 -0.02 0.00 0.31 0.00 0.00 61.69 62.55 2kha s THR 65 Cb -0.10 -0.64 0.16 0.00 0.01 0.00 0.00 72.50 71.93 2kha s THR 65 CO 0.38 0.25 0.45 0.12 -0.69 0.00 0.00 174.62 175.13 2kha s PHE 66 N 1.93 3.41 0.06 4.92 2.19 -0.85 -4.94 117.98 124.70 2kha s PHE 66 Ca 0.05 -2.77 0.02 0.00 0.33 0.00 0.00 56.93 54.55 2kha s PHE 66 Cb -0.13 -3.17 -0.04 0.00 -1.31 0.00 0.00 43.02 38.37 2kha s PHE 66 CO -0.06 -0.82 0.10 1.03 1.83 0.00 0.00 175.22 177.30 2kha s ARG 67 N -0.19 3.02 -0.11 10.12 0.52 -1.26 -1.67 118.95 129.38 2kha s ARG 67 Ca 0.18 -0.60 -0.03 0.00 -0.52 0.00 0.00 55.73 54.76 2kha s ARG 67 Cb -0.20 -2.81 0.04 0.00 0.52 0.00 0.00 34.95 32.50 2kha s ARG 67 CO -0.04 0.59 0.05 -0.51 0.02 0.00 0.00 175.30 175.42 2kha s ASP 68 N -2.26 1.87 -0.13 0.23 1.11 -0.79 -4.92 116.67 111.77 2kha s ASP 68 Ca 0.29 -0.30 0.05 0.00 0.18 0.00 0.00 52.55 52.77 2kha s ASP 68 Cb -0.12 -0.31 0.36 0.00 1.07 0.00 0.00 42.92 43.92 2kha s ASP 68 CO 0.21 -0.27 1.14 0.54 1.18 0.00 0.00 175.17 177.97 2kha n ARG 69 N 5.22 2.55 -1.11 8.23 3.00 -1.26 0.94 116.66 134.23 2kha n ARG 69 Ca -0.06 -1.43 0.01 0.00 -0.01 0.00 0.00 57.85 56.36 2kha n ARG 69 Cb 0.49 -1.79 -0.00 0.00 0.00 0.00 0.00 32.46 31.16 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 0.18 0.33 -4.65 0.55 4.13 -1.26 -4.72 115.26 109.82 2kha n ASN 70 Ca 0.16 -1.92 -0.41 0.00 1.68 0.00 0.00 54.58 54.09 2kha n ASN 70 Cb 0.76 -0.14 -0.05 0.00 -1.54 0.00 0.00 39.78 38.81 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 0.00 3.57 -1.31 5.41 0.00 -1.24 -4.98 121.76 123.21 2kha s ALA 71 Ca 0.18 -0.17 -0.14 0.00 0.00 0.00 0.00 51.96 51.82 2kha s ALA 71 Cb 0.20 -3.13 0.11 0.00 0.00 0.00 0.00 23.12 20.30 2kha s ALA 71 CO -0.09 -0.70 1.80 1.17 0.00 0.00 0.00 175.76 177.94 2kha n LYS 72 N 5.40 3.24 -4.01 0.00 4.81 -1.26 -3.94 118.16 122.40 2kha n LYS 72 Ca 0.02 -3.32 -0.35 0.00 -0.87 0.00 0.00 58.31 53.80 2kha n LYS 72 Cb 0.49 -3.24 -0.09 0.00 0.02 0.00 0.00 35.03 32.21 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 2.33 3.89 0.15 3.14 1.43 -1.26 -5.06 118.68 123.30 2kha s LEU 73 Ca 0.47 0.15 0.10 0.00 -1.03 0.00 0.00 54.13 53.82 2kha s LEU 73 Cb 0.06 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 2kha s LEU 73 CO 0.01 0.23 -0.22 -0.54 0.23 0.00 0.00 176.35 176.06 2kha s LYS 74 N 0.05 1.33 0.18 1.70 1.02 -1.26 -4.98 119.74 117.78 2kha s LYS 74 Ca 0.06 -1.37 -0.33 0.00 0.02 0.00 0.00 55.97 54.35 2kha s LYS 74 Cb -0.12 -1.59 -0.14 0.00 -0.52 0.00 0.00 37.83 35.46 2kha s LYS 74 CO 0.01 0.35 1.48 -0.11 -0.92 0.00 0.00 175.35 176.16 2kha n LEU 75 N 0.60 2.89 0.00 3.17 -0.00 -1.25 -1.25 117.00 121.16 2kha n LEU 75 Ca -0.15 1.11 0.00 0.00 -0.00 0.00 0.00 56.01 56.97 2kha n LEU 75 Cb 0.55 -1.40 0.00 0.00 -0.00 0.00 0.00 43.42 42.58 2kha n LEU 75 CO 0.26 -0.47 0.00 0.61 -0.00 0.00 0.00 177.39 177.79 2kha n GLY 76 N 2.83 2.99 3.68 -3.96 0.00 -1.24 -4.87 105.19 104.62 2kha n GLY 76 Ca 0.15 0.00 -0.37 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 0.22 1.51 -4.59 1.61 -0.08 -0.38 -4.77 116.55 110.07 2kha n ASP 77 Ca 0.00 0.82 -0.30 0.00 -1.51 0.00 0.00 54.79 53.80 2kha n ASP 77 Cb 0.00 -1.48 -0.10 0.00 2.34 0.00 0.00 41.12 41.88 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 -3.09 2.17 0.07 -0.67 2.20 -1.26 -1.45 119.74 117.70 2kha s LYS 78 Ca 0.80 -1.00 0.04 0.00 -0.36 0.00 0.00 55.97 55.45 2kha s LYS 78 Cb -0.40 -2.33 -0.04 0.00 -1.51 0.00 0.00 37.83 33.56 2kha s LYS 78 CO 0.43 0.51 -0.02 0.42 -0.36 0.00 0.00 175.35 176.34 2kha s ILE 79 N -1.22 3.94 -0.09 5.43 1.09 0.39 0.21 121.20 130.96 2kha s ILE 79 Ca 0.22 -0.95 -0.04 0.00 -1.10 0.00 0.00 60.65 58.78 2kha s ILE 79 Cb -0.11 -2.85 0.05 0.00 -1.06 0.00 0.00 42.46 38.49 2kha s ILE 79 CO 0.14 0.18 0.18 -0.31 -0.10 0.00 0.00 174.94 175.03 2kha s TYR 80 N -1.25 -0.23 0.16 3.97 1.51 -0.91 -2.10 117.35 118.50 2kha s TYR 80 Ca 0.24 0.64 -0.07 0.00 -1.01 0.00 0.00 57.07 56.87 2kha s TYR 80 Cb -0.12 -0.11 0.03 0.00 -0.11 0.00 0.00 41.96 41.65 2kha s TYR 80 CO 0.16 -0.24 0.36 1.97 -1.11 0.00 0.00 175.55 176.69 2kha n PHE 81 N 4.73 -1.51 -3.65 2.71 1.16 -1.02 -0.59 117.46 119.29 2kha n PHE 81 Ca -0.16 -0.78 -0.10 0.00 -1.87 0.00 0.00 57.45 54.53 2kha n PHE 81 Cb 0.51 0.39 -0.08 0.00 -1.61 0.00 0.00 39.48 38.69 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 -5.75 -0.85 0.28 2.97 1.48 0.36 -2.10 118.94 115.33 2kha s TRP 82 Ca 0.07 1.85 0.05 0.00 -1.06 0.00 0.00 56.10 57.02 2kha s TRP 82 Cb -0.02 0.42 -0.02 0.00 -1.16 0.00 0.00 33.47 32.68 2kha s TRP 82 CO 0.05 -0.42 0.41 0.95 -4.06 0.00 0.00 176.95 173.88 2kha s THR 83 N 1.05 4.80 -0.23 0.66 -4.23 -1.06 -1.81 115.64 114.81 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 -0.05 -3.69 0.10 0.00 1.34 0.00 0.00 72.50 70.20 2kha s THR 83 CO -0.10 -0.27 0.21 -0.47 -0.54 0.00 0.00 174.62 173.45 2kha s TYR 84 N -2.07 -0.17 0.32 3.99 5.04 0.22 -1.92 117.35 122.77 2kha s TYR 84 Ca 0.38 -0.12 0.07 0.00 -2.44 0.00 0.00 57.07 54.97 2kha s TYR 84 Cb -0.09 -0.51 -0.02 0.00 0.35 0.00 0.00 41.96 41.69 2kha s TYR 84 CO 0.30 -0.70 0.38 0.54 -1.34 0.00 0.00 175.55 174.73 2kha s VAL 85 N 2.28 4.00 -0.21 3.14 0.11 0.10 0.17 120.40 129.99 2kha s VAL 85 Ca 0.07 -1.15 -0.04 0.00 -2.93 0.00 0.00 61.98 57.93 2kha s VAL 85 Cb -0.15 -3.37 0.08 0.00 -1.53 0.00 0.00 36.38 31.41 2kha s VAL 85 CO -0.21 -0.19 0.12 -0.63 -3.33 0.00 0.00 175.10 170.86 2kha s ILE 86 N -2.20 -0.11 -1.04 7.04 -1.09 0.21 -2.11 121.20 121.90 2kha s ILE 86 Ca 0.42 -0.35 -0.05 0.00 -2.23 0.00 0.00 60.65 58.44 2kha s ILE 86 Cb -0.08 -0.72 0.29 0.00 -1.58 0.00 0.00 42.46 40.37 2kha s ILE 86 CO 0.29 -0.42 1.26 1.17 -1.23 0.00 0.00 174.94 176.00 2kha n LYS 87 N 5.27 3.89 -3.31 2.79 0.00 -1.02 0.36 118.16 126.15 2kha n LYS 87 Ca -0.06 -4.53 -0.15 0.00 0.00 0.00 0.00 58.31 53.56 2kha n LYS 87 Cb 0.47 -2.49 0.05 0.00 0.00 0.00 0.00 35.03 33.05 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 1.78 -6.60 -0.97 3.14 2.03 -1.26 -3.07 116.55 111.59 2kha n ASP 88 Ca 0.25 -0.65 -0.08 0.00 0.52 0.00 0.00 54.79 54.84 2kha n ASP 88 Cb 0.36 -4.81 0.00 0.00 -0.72 0.00 0.00 41.12 35.95 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 -1.43 0.10 2.27 0.27 0.00 -1.26 -4.98 105.19 100.16 2kha n GLY 89 Ca -0.07 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.24 -0.25 -4.84 0.99 4.77 -1.17 -5.13 117.00 110.13 2kha n LEU 90 Ca -0.08 -4.50 -0.32 0.00 -0.03 0.00 0.00 56.01 51.09 2kha n LEU 90 Cb 0.56 0.66 0.01 0.00 -2.33 0.00 0.00 43.42 42.33 2kha n LEU 90 CO 0.12 2.05 0.71 -0.83 -1.33 0.00 0.00 177.39 178.12 2kha s GLY 91 N -1.20 1.83 -0.11 -0.72 0.00 -1.25 -2.42 107.32 103.45 2kha s GLY 91 Ca 0.35 0.10 -0.17 0.00 0.00 0.00 0.00 44.72 45.00 2kha s GLY 91 CO -0.13 0.39 0.43 -0.19 0.00 0.00 0.00 173.10 173.60 2kha s TYR 92 N -2.89 -0.42 0.05 1.90 2.02 -0.89 -4.95 117.35 112.16 2kha s TYR 92 Ca 0.58 0.93 0.07 0.00 -0.37 0.00 0.00 57.07 58.28 2kha s TYR 92 Cb -0.12 0.17 -0.03 0.00 -0.40 0.00 0.00 41.96 41.58 2kha s TYR 92 CO 0.46 -0.32 -0.19 -0.98 -1.57 0.00 0.00 175.55 172.96 2kha s ARG 93 N -0.35 1.19 -0.98 -0.62 3.03 -1.25 -0.72 118.95 119.24 2kha s ARG 93 Ca -0.05 -0.93 -0.03 0.00 2.03 0.00 0.00 55.73 56.75 2kha s ARG 93 Cb -0.03 -1.29 0.28 0.00 -1.03 0.00 0.00 34.95 32.87 2kha s ARG 93 CO 0.03 0.32 1.16 0.94 -1.13 0.00 0.00 175.30 176.62 2kha n GLN 94 N 1.70 3.64 -2.21 3.89 7.27 -0.81 -4.74 117.38 126.11 2kha n GLN 94 Ca -0.18 -4.55 -0.27 0.00 0.07 0.00 0.00 57.00 52.07 2kha n GLN 94 Cb 0.54 -2.46 0.14 0.00 2.41 0.00 0.00 30.24 30.87 2kha n GLN 94 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 2kha s ASP 95 N -1.03 3.81 -2.22 1.69 -4.77 -1.26 -2.58 116.67 110.32 2kha s ASP 95 Ca 0.32 0.06 0.00 0.00 -3.30 0.00 0.00 52.55 49.63 2kha s ASP 95 Cb 0.02 -0.31 0.00 0.00 -1.09 0.00 0.00 42.92 41.53 2kha s ASP 95 CO 0.01 -2.25 0.00 -3.20 0.70 0.00 0.00 175.17 170.43 2kha n ASN 96 N -3.30 -5.53 -4.89 2.11 2.85 -1.21 -4.93 115.26 100.36 2kha n ASN 96 Ca 0.14 0.52 -0.29 0.00 -0.11 0.00 0.00 54.58 54.84 2kha n ASN 96 Cb 0.60 -4.87 0.03 0.00 1.24 0.00 0.00 39.78 36.78 2kha n ASN 96 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2kha s GLY 97 N -2.78 1.61 -0.19 8.20 0.00 -0.89 -4.96 107.32 108.31 2kha s GLY 97 Ca 0.00 -0.41 -0.17 0.00 0.00 0.00 0.00 44.72 44.13 2kha s GLY 97 CO 0.00 -0.12 0.51 1.85 0.00 0.00 0.00 173.10 175.34 2kha s GLU 98 N -5.12 0.59 0.25 2.90 2.12 -1.26 -2.44 118.70 115.75 2kha s GLU 98 Ca 0.55 0.74 0.04 0.00 0.36 0.00 0.00 54.97 56.65 2kha s GLU 98 Cb -0.11 0.27 -0.05 0.00 0.26 0.00 0.00 34.13 34.49 2kha s GLU 98 CO 0.49 -0.08 -0.00 -0.46 -0.54 0.00 0.00 175.26 174.67 2kha s TRP 99 N 0.40 1.70 0.30 5.30 -0.00 -0.89 -4.92 118.94 120.82 2kha s TRP 99 Ca -0.01 -0.89 0.09 0.00 -0.00 0.00 0.00 56.10 55.29 2kha s TRP 99 Cb -0.04 -1.00 -0.04 0.00 -0.00 0.00 0.00 33.47 32.39 2kha s TRP 99 CO -0.01 0.02 0.09 -0.08 -0.00 0.00 0.00 176.95 176.98 2kha s THR 100 N -3.33 3.32 0.00 5.86 -1.32 -1.26 0.15 115.64 119.06 2kha s THR 100 Ca 0.30 -1.75 0.00 0.00 -1.21 0.00 0.00 61.69 59.03 2kha s THR 100 Cb 0.06 -2.97 0.00 0.00 -1.51 0.00 0.00 72.50 68.08 2kha s THR 100 CO 0.10 -0.27 0.67 0.52 -2.21 0.00 0.00 174.62 173.44 2kha n VAL 101 N -1.06 0.44 0.26 5.08 0.31 -0.53 -4.72 118.33 118.10 2kha n VAL 101 Ca -0.05 -0.62 0.16 0.00 -0.01 0.00 0.00 64.34 63.82 2kha n VAL 101 Cb 0.60 0.87 0.80 0.00 -0.91 0.00 0.00 33.84 35.20 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 0.40 0.00 -3.92 2.52 1.35 -1.81 -3.30 112.91 108.14 2kha h THR 102 Ca 0.00 -0.07 -0.22 0.00 -0.55 0.00 0.00 66.41 65.57 2kha h THR 102 Cb 0.37 0.80 -0.17 0.00 -1.73 0.00 0.00 68.15 67.42 2kha h THR 102 CO 0.00 0.00 -0.70 -1.61 -0.25 0.00 0.00 175.52 172.96 2kha s GLU 103 N -3.74 0.71 0.02 4.72 0.41 -1.26 -4.72 118.70 114.84 2kha s GLU 103 Ca -0.02 -1.16 0.02 0.00 -0.41 0.00 0.00 54.97 53.40 2kha s GLU 103 Cb 0.09 -0.15 -0.02 0.00 -1.78 0.00 0.00 34.13 32.28 2kha s GLU 103 CO 0.32 -0.02 -0.07 -0.06 -0.49 0.00 0.00 175.26 174.94 2kha s PHE 104 N -3.07 0.60 0.23 1.61 0.40 -1.26 -4.05 117.98 112.44 2kha s PHE 104 Ca 0.05 -0.32 0.03 0.00 -0.60 0.00 0.00 56.93 56.09 2kha s PHE 104 Cb 0.02 -0.37 -0.03 0.00 0.51 0.00 0.00 43.02 43.14 2kha s PHE 104 CO -0.04 -0.05 0.37 0.14 0.70 0.00 0.00 175.22 176.34 2kha s VAL 105 N -0.82 5.25 0.45 -0.44 -7.23 0.39 0.17 120.40 118.16 2kha s VAL 105 Ca -0.05 -0.74 -0.15 0.00 -1.81 0.00 0.00 61.98 59.23 2kha s VAL 105 Cb -0.06 -3.81 -0.08 0.00 0.56 0.00 0.00 36.38 32.98 2kha s VAL 105 CO 0.00 -0.28 0.88 0.21 -0.31 0.00 0.00 175.10 175.60 2kha s ASN 106 N -3.68 6.65 0.46 4.85 2.47 1.10 -3.95 114.94 122.84 2kha s ASN 106 Ca 0.36 1.41 0.25 0.00 0.42 0.00 0.00 52.86 55.30 2kha s ASN 106 Cb -0.10 -2.44 1.34 0.00 -1.45 0.00 0.00 41.25 38.61 2kha s ASN 106 CO 0.30 -0.46 1.72 -0.33 -3.72 0.00 0.00 177.10 174.62 2kha h GLU 107 N 1.30 0.00 -0.01 0.43 5.08 -1.89 0.82 114.58 120.31 2kha h GLU 107 Ca -0.47 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.74 2kha h GLU 107 Cb 1.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 2kha h GLU 107 CO 0.63 0.00 -0.66 -0.44 -1.00 0.00 0.00 179.01 177.54 2kha h ASP 108 N 0.00 0.07 0.00 1.42 3.32 -2.02 -3.47 116.42 115.74 2kha h ASP 108 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2kha h ASP 108 Cb 0.35 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2kha h ASP 108 CO 0.00 0.71 0.00 0.61 -1.72 0.00 0.00 179.24 178.84 2kha n GLY 109 N 0.37 1.80 3.09 2.75 0.00 0.28 -5.14 105.19 108.35 2kha n GLY 109 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 0.28 -0.00 2.61 -4.23 -1.23 -4.86 115.64 106.22 2kha s THR 110 Ca 0.00 -1.75 -0.37 0.00 -1.18 0.00 0.00 61.69 58.39 2kha s THR 110 Cb 0.00 -1.43 -0.16 0.00 1.34 0.00 0.00 72.50 72.25 2kha s THR 110 CO 0.00 -0.93 1.48 -2.65 -0.54 0.00 0.00 174.62 171.98 2kha n PRO 111 N 0.22 1.28 -2.57 3.99 -0.02 -1.26 0.35 135.00 137.00 2kha n PRO 111 Ca -0.15 0.47 -0.43 0.00 -2.02 0.00 0.00 63.50 61.37 2kha n PRO 111 Cb 0.60 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 3.45 4.85 -2.34 3.55 0.00 0.45 -4.60 120.51 125.88 2kha n ALA 112 Ca 0.20 -4.31 -0.35 0.00 0.00 0.00 0.00 53.44 48.98 2kha n ALA 112 Cb 0.19 -2.99 -0.04 0.00 0.00 0.00 0.00 19.45 16.62 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 1.46 5.94 -1.20 0.00 2.15 -1.26 -4.72 116.67 119.04 2kha s ASP 113 Ca 0.40 -1.42 -0.21 0.00 0.43 0.00 0.00 52.55 51.75 2kha s ASP 113 Cb 0.05 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 40.08 2kha s ASP 113 CO 0.01 -2.05 1.83 0.42 -0.17 0.00 0.00 175.17 175.21 2kha s THR 114 N 7.25 3.78 -0.81 1.71 -4.23 -1.26 -4.83 115.64 117.26 2kha s THR 114 Ca 0.58 -1.26 0.02 0.00 -1.18 0.00 0.00 61.69 59.85 2kha s THR 114 Cb -0.01 -4.80 0.24 0.00 1.34 0.00 0.00 72.50 69.27 2kha s THR 114 CO -0.01 -1.44 0.88 -1.20 -0.54 0.00 0.00 174.62 172.31 2kha n SER 115 N 11.76 4.34 -3.51 3.99 7.64 -1.26 -4.93 113.62 131.66 2kha n SER 115 Ca 0.45 -3.33 -0.27 0.00 1.01 0.00 0.00 58.87 56.74 2kha n SER 115 Cb 0.47 -0.90 -0.10 0.00 -1.01 0.00 0.00 64.21 62.67 2kha n SER 115 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kha n LEU 116 N 1.45 1.64 -4.69 -3.43 4.77 -1.26 -5.10 117.00 110.39 2kha n LEU 116 Ca 0.26 -4.93 -0.42 0.00 -0.03 0.00 0.00 56.01 50.89 2kha n LEU 116 Cb 0.38 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 2kha n LEU 116 CO 0.44 1.92 1.19 -0.70 -1.33 0.00 0.00 177.39 178.91 2kha s GLU 117 N -1.22 4.25 0.00 3.23 2.12 -1.26 -5.34 118.70 120.49 2kha s GLU 117 Ca 0.33 2.10 0.18 0.00 0.36 0.00 0.00 54.97 57.94 2kha s GLU 117 Cb 0.07 -3.56 1.09 0.00 0.26 0.00 0.00 34.13 31.98 2kha s GLU 117 CO -0.13 -0.63 1.48 -0.35 -0.54 0.00 0.00 175.26 175.10