#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 1.84 0.26 1.08 5.04 -1.26 -5.13 117.35 119.17 2kha s TYR 7 Ca 0.00 -0.41 0.07 0.00 -2.44 0.00 0.00 57.07 54.30 2kha s TYR 7 Cb 0.00 -2.62 -0.05 0.00 0.35 0.00 0.00 41.96 39.63 2kha s TYR 7 CO 0.00 -1.26 -0.10 0.08 -1.34 0.00 0.00 175.55 172.93 2kha s VAL 8 N -2.84 1.76 0.30 3.14 1.01 -1.26 -5.03 120.40 117.49 2kha s VAL 8 Ca 0.62 -2.18 -0.29 0.00 0.00 0.00 0.00 61.98 60.13 2kha s VAL 8 Cb -0.07 -2.32 -0.10 0.00 0.00 0.00 0.00 36.38 33.90 2kha s VAL 8 CO 0.40 -0.40 1.34 0.54 0.00 0.00 0.00 175.10 176.99 2kha s VAL 9 N -2.94 2.72 0.00 2.92 0.11 -1.26 -5.02 120.40 116.93 2kha s VAL 9 Ca 0.27 0.68 0.00 0.00 -2.93 0.00 0.00 61.98 60.01 2kha s VAL 9 Cb 0.02 -3.44 0.00 0.00 -1.53 0.00 0.00 36.38 31.43 2kha s VAL 9 CO 0.11 0.14 0.00 -0.81 -3.33 0.00 0.00 175.10 171.21 2kha n PRO 10 N 1.32 -0.94 -3.82 1.54 -0.04 -1.26 -4.89 135.00 126.91 2kha n PRO 10 Ca 0.02 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.12 2kha n PRO 10 Cb 0.41 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.74 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 -1.70 4.84 -0.53 3.54 0.15 -1.26 -4.79 113.70 113.96 2kha s SER 11 Ca 0.00 -0.56 -0.28 0.00 0.70 0.00 0.00 55.95 55.80 2kha s SER 11 Cb 0.00 -1.83 0.03 0.00 -1.71 0.00 0.00 66.02 62.51 2kha s SER 11 CO 0.00 -0.12 1.15 0.00 1.20 0.00 0.00 173.24 175.47 2kha s ALA 12 N 1.50 3.08 0.52 5.45 0.00 -1.25 -4.14 121.76 126.92 2kha s ALA 12 Ca 0.04 -0.69 -0.13 0.00 0.00 0.00 0.00 51.96 51.18 2kha s ALA 12 Cb -0.16 -3.95 -0.06 0.00 0.00 0.00 0.00 23.12 18.95 2kha s ALA 12 CO 0.01 -2.46 0.94 0.21 0.00 0.00 0.00 175.76 174.45 2kha s LYS 13 N 4.67 3.77 -0.00 0.00 2.36 0.29 -4.85 119.74 125.97 2kha s LYS 13 Ca 0.44 0.73 -0.10 0.00 -2.55 0.00 0.00 55.97 54.49 2kha s LYS 13 Cb -0.08 -2.19 0.01 0.00 -1.05 0.00 0.00 37.83 34.53 2kha s LYS 13 CO 0.28 -0.32 0.21 -0.51 1.55 0.00 0.00 175.35 176.56 2kha s LEU 14 N -4.45 1.27 -0.09 5.43 1.02 -1.26 -2.24 118.68 118.37 2kha s LEU 14 Ca 0.55 -0.09 -0.11 0.00 0.02 0.00 0.00 54.13 54.50 2kha s LEU 14 Cb -0.10 0.92 0.03 0.00 0.02 0.00 0.00 46.19 47.05 2kha s LEU 14 CO 0.40 -0.40 0.30 -1.61 0.02 0.00 0.00 176.35 175.06 2kha s GLU 15 N -1.36 0.43 -0.36 1.70 2.02 -0.67 -4.98 118.70 115.48 2kha s GLU 15 Ca -0.14 0.27 -0.24 0.00 0.02 0.00 0.00 54.97 54.89 2kha s GLU 15 Cb -0.07 0.20 0.01 0.00 0.10 0.00 0.00 34.13 34.38 2kha s GLU 15 CO 0.03 -0.07 0.80 0.00 0.02 0.00 0.00 175.26 176.03 2kha s ALA 16 N -0.19 3.43 -0.09 5.21 0.00 -1.25 -2.49 121.76 126.38 2kha s ALA 16 Ca -0.03 -0.62 -0.20 0.00 0.00 0.00 0.00 51.96 51.11 2kha s ALA 16 Cb -0.03 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 2kha s ALA 16 CO 0.01 -1.49 0.57 0.42 0.00 0.00 0.00 175.76 175.27 2kha s ILE 17 N 3.14 5.12 0.05 0.00 -1.09 -0.84 0.14 121.20 127.72 2kha s ILE 17 Ca 0.32 1.16 -0.13 0.00 -2.23 0.00 0.00 60.65 59.76 2kha s ILE 17 Cb -0.13 -3.91 -0.06 0.00 -1.58 0.00 0.00 42.46 36.78 2kha s ILE 17 CO 0.17 0.31 0.43 -0.47 -1.23 0.00 0.00 174.94 174.15 2kha s TYR 18 N 0.63 3.67 -2.19 3.97 5.04 -1.25 -1.32 117.35 125.90 2kha s TYR 18 Ca 0.31 0.96 0.26 0.00 -2.44 0.00 0.00 57.07 56.15 2kha s TYR 18 Cb -0.16 -2.27 0.70 0.00 0.35 0.00 0.00 41.96 40.57 2kha s TYR 18 CO 0.14 0.57 1.53 -0.35 -1.34 0.00 0.00 175.55 176.10 2kha n PRO 19 N 1.39 1.34 -3.14 4.97 -0.04 -1.26 -4.83 135.00 133.44 2kha n PRO 19 Ca -0.11 -0.88 0.03 0.00 -0.04 0.00 0.00 63.50 62.50 2kha n PRO 19 Cb 0.52 -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 -2.27 0.57 0.08 0.54 1.70 -0.99 -4.68 118.95 113.90 2kha s ARG 20 Ca 0.29 0.16 -0.27 0.00 -0.47 0.00 0.00 55.73 55.43 2kha s ARG 20 Cb 0.20 0.15 0.09 0.00 -0.57 0.00 0.00 34.95 34.82 2kha s ARG 20 CO 0.44 -0.93 1.12 0.20 -1.08 0.00 0.00 175.30 175.04 2kha s GLY 21 N 2.42 -0.27 -0.11 3.88 0.00 -0.44 -4.10 107.32 108.69 2kha s GLY 21 Ca 0.15 0.31 -0.07 0.00 0.00 0.00 0.00 44.72 45.11 2kha s GLY 21 CO -0.18 0.49 0.27 -2.27 0.00 0.00 0.00 173.10 171.41 2kha s LEU 22 N -3.04 0.45 -0.14 0.66 1.98 0.31 -1.98 118.68 116.91 2kha s LEU 22 Ca 0.15 0.58 0.01 0.00 -2.89 0.00 0.00 54.13 51.98 2kha s LEU 22 Cb 0.01 0.86 0.00 0.00 0.66 0.00 0.00 46.19 47.73 2kha s LEU 22 CO -0.00 -0.16 -0.18 -0.60 -1.89 0.00 0.00 176.35 173.52 2kha s ARG 23 N 1.06 3.13 0.12 1.98 3.52 -1.04 0.13 118.95 127.85 2kha s ARG 23 Ca -0.07 -0.80 0.07 0.00 -0.13 0.00 0.00 55.73 54.80 2kha s ARG 23 Cb -0.08 -2.53 -0.04 0.00 -1.56 0.00 0.00 34.95 30.74 2kha s ARG 23 CO -0.07 0.02 -0.18 0.08 -0.81 0.00 0.00 175.30 174.35 2kha s VAL 24 N 0.76 1.57 -0.09 7.11 1.01 0.22 -1.66 120.40 129.31 2kha s VAL 24 Ca -0.07 -1.66 -0.17 0.00 0.00 0.00 0.00 61.98 60.07 2kha s VAL 24 Cb -0.16 -1.57 0.04 0.00 0.00 0.00 0.00 36.38 34.70 2kha s VAL 24 CO 0.00 -0.24 0.43 -0.44 0.00 0.00 0.00 175.10 174.85 2kha s SER 25 N -2.23 -0.39 -0.12 3.32 0.01 -0.95 -1.24 113.70 112.09 2kha s SER 25 Ca 0.09 0.57 -0.04 0.00 1.31 0.00 0.00 55.95 57.88 2kha s SER 25 Cb -0.08 0.64 0.06 0.00 0.21 0.00 0.00 66.02 66.85 2kha s SER 25 CO 0.04 -0.33 0.18 0.27 0.41 0.00 0.00 173.24 173.82 2kha s ILE 26 N -0.54 -0.28 -0.39 1.44 -5.25 -1.04 0.10 121.20 115.24 2kha s ILE 26 Ca -0.07 0.21 -0.41 0.00 -0.99 0.00 0.00 60.65 59.39 2kha s ILE 26 Cb -0.03 -0.42 -0.16 0.00 2.95 0.00 0.00 42.46 44.79 2kha s ILE 26 CO 0.03 0.04 1.92 -2.65 -1.79 0.00 0.00 174.94 172.49 2kha n PRO 27 N 5.32 0.62 -2.78 0.37 -0.02 -1.26 -1.95 135.00 135.31 2kha n PRO 27 Ca -0.05 0.21 -0.38 0.00 -2.02 0.00 0.00 63.50 61.26 2kha n PRO 27 Cb 0.50 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 32.00 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 4.93 7.39 -0.35 2.55 2.15 0.30 -4.63 116.67 129.02 2kha s ASP 28 Ca 1.08 1.85 0.15 0.00 0.43 0.00 0.00 52.55 56.05 2kha s ASP 28 Cb -1.21 -2.58 0.45 0.00 -0.30 0.00 0.00 42.92 39.28 2kha s ASP 28 CO 0.65 -0.02 1.01 -0.67 -0.17 0.00 0.00 175.17 175.97 2kha n ASP 29 N 0.74 2.45 -3.13 -0.34 -0.08 -1.26 -4.66 116.55 110.27 2kha n ASP 29 Ca 0.01 -2.96 -0.21 0.00 -1.51 0.00 0.00 54.79 50.12 2kha n ASP 29 Cb 0.49 -0.50 0.06 0.00 2.34 0.00 0.00 41.12 43.51 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 -0.24 -0.41 0.00 0.27 0.00 -1.26 -5.00 105.19 98.56 2kha n GLY 30 Ca 0.18 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -4.66 0.00 0.00 1.61 3.72 -1.26 -4.74 117.46 112.12 2kha n PHE 31 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2kha n PHE 31 Cb 0.57 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 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 0.00 0.00 -3.73 4.37 2.88 0.70 -4.32 113.62 113.53 2kha n SER 32 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 2kha n SER 32 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 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 0.00 0.63 -0.45 2.46 2.96 -0.98 -4.56 118.68 118.74 2kha s LEU 33 Ca 0.00 0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 2kha s LEU 33 Cb 0.00 0.04 0.12 0.00 0.50 0.00 0.00 46.19 46.85 2kha s LEU 33 CO 0.00 -0.18 0.19 0.12 -1.32 0.00 0.00 176.35 175.16 2kha s PHE 34 N 1.52 3.48 -0.26 5.38 5.36 -0.45 0.38 117.98 133.38 2kha s PHE 34 Ca -0.04 -3.00 -0.17 0.00 -0.96 0.00 0.00 56.93 52.76 2kha s PHE 34 Cb -0.12 -2.94 -0.03 0.00 -0.34 0.00 0.00 43.02 39.59 2kha s PHE 34 CO -0.04 -0.86 0.46 0.00 -1.46 0.00 0.00 175.22 173.33 2kha s ALA 35 N 0.34 3.58 -0.20 11.12 0.00 0.49 -1.21 121.76 135.89 2kha s ALA 35 Ca 0.14 -0.68 -0.06 0.00 0.00 0.00 0.00 51.96 51.35 2kha s ALA 35 Cb -0.22 -2.82 -0.03 0.00 0.00 0.00 0.00 23.12 20.04 2kha s ALA 35 CO -0.04 -0.70 0.04 0.12 0.00 0.00 0.00 175.76 175.18 2kha s PHE 36 N 2.20 3.14 -0.11 0.00 5.36 -0.84 0.50 117.98 128.22 2kha s PHE 36 Ca 0.19 -0.17 0.00 0.00 -0.96 0.00 0.00 56.93 55.99 2kha s PHE 36 Cb -0.16 -2.10 0.02 0.00 -0.34 0.00 0.00 43.02 40.45 2kha s PHE 36 CO 0.09 -0.05 -0.11 -1.58 -1.46 0.00 0.00 175.22 172.11 2kha s HIS 37 N 0.75 1.73 -0.26 10.12 2.46 -0.71 -2.09 115.29 127.28 2kha s HIS 37 Ca 0.02 -0.86 -0.24 0.00 0.47 0.00 0.00 55.06 54.45 2kha s HIS 37 Cb -0.14 -1.33 0.07 0.00 -0.13 0.00 0.00 32.58 31.05 2kha s HIS 37 CO 0.02 -0.51 0.70 0.20 -2.47 0.00 0.00 174.74 172.67 2kha s GLY 38 N 1.39 -0.53 0.07 1.59 0.00 -0.65 -0.14 107.32 109.05 2kha s GLY 38 Ca 0.00 1.99 0.08 0.00 0.00 0.00 0.00 44.72 46.80 2kha s GLY 38 CO -0.06 1.74 -0.20 1.25 0.00 0.00 0.00 173.10 175.82 2kha s LYS 39 N 0.45 1.87 -0.04 2.90 2.36 0.92 0.16 119.74 128.35 2kha s LYS 39 Ca -0.01 -1.10 -0.20 0.00 -2.55 0.00 0.00 55.97 52.11 2kha s LYS 39 Cb -0.05 -2.10 -0.05 0.00 -1.05 0.00 0.00 37.83 34.58 2kha s LYS 39 CO -0.00 0.51 0.58 -1.17 1.55 0.00 0.00 175.35 176.81 2kha s LEU 40 N -1.68 4.37 -1.07 5.43 2.96 -1.26 -2.10 118.68 125.33 2kha s LEU 40 Ca 0.15 1.08 -0.20 0.00 -0.22 0.00 0.00 54.13 54.94 2kha s LEU 40 Cb -0.10 -2.89 0.01 0.00 0.50 0.00 0.00 46.19 43.72 2kha s LEU 40 CO 0.06 0.05 0.70 -0.46 -1.32 0.00 0.00 176.35 175.38 2kha n ASN 41 N 3.10 -4.95 0.00 3.68 6.94 0.74 -4.95 115.26 119.82 2kha n ASN 41 Ca -0.06 -1.05 0.00 0.00 -0.02 0.00 0.00 54.58 53.45 2kha n ASN 41 Cb 0.51 -2.46 0.00 0.00 -2.36 0.00 0.00 39.78 35.48 2kha n ASN 41 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 2kha n GLU 42 N -3.98 0.00 0.00 -3.83 2.13 -1.26 -5.04 120.64 108.66 2kha n GLU 42 Ca -0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.67 2kha n GLU 42 Cb 0.60 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.31 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 -0.57 -3.79 5.31 1.02 -1.26 -4.63 120.64 116.71 2kha n GLU 43 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 2kha n GLU 43 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 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 -1.82 0.43 -0.57 3.49 -1.94 -1.26 -4.96 119.30 112.67 2kha s MET 44 Ca 0.00 0.09 0.05 0.00 -1.71 0.00 0.00 55.69 54.13 2kha s MET 44 Cb 0.00 0.20 0.19 0.00 2.01 0.00 0.00 34.83 37.23 2kha s MET 44 CO 0.00 -0.09 0.48 -3.47 -0.01 0.00 0.00 175.02 171.94 2kha n ASP 45 N 2.26 1.72 -1.11 3.03 -0.08 -1.26 -4.97 116.55 116.13 2kha n ASP 45 Ca -0.17 -2.92 0.00 0.00 -1.51 0.00 0.00 54.79 50.19 2kha n ASP 45 Cb 0.57 -0.67 0.00 0.00 2.34 0.00 0.00 41.12 43.36 2kha n ASP 45 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kha n GLY 46 N 2.03 -2.24 1.19 0.27 0.00 -1.26 -4.83 105.19 100.35 2kha n GLY 46 Ca 0.25 -0.52 -0.01 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.81 -4.62 0.99 4.77 -1.26 -4.93 117.00 111.14 2kha n LEU 47 Ca 0.00 0.08 -0.33 0.00 -0.03 0.00 0.00 56.01 55.73 2kha n LEU 47 Cb 0.00 -0.37 -0.10 0.00 -2.33 0.00 0.00 43.42 40.62 2kha n LEU 47 CO 0.00 -0.29 -0.36 -0.70 -1.33 0.00 0.00 177.39 174.71 2kha s GLU 48 N -0.28 2.70 0.24 3.23 2.56 -1.26 -5.02 118.70 120.87 2kha s GLU 48 Ca 0.01 -0.62 -0.05 0.00 0.00 0.00 0.00 54.97 54.30 2kha s GLU 48 Cb -0.00 -2.59 0.44 0.00 2.00 0.00 0.00 34.13 33.98 2kha s GLU 48 CO 0.02 0.63 1.71 0.00 -0.56 0.00 0.00 175.26 177.06 2kha h ALA 49 N 4.70 0.97 -0.87 6.30 0.00 -1.99 -3.44 119.26 124.92 2kha h ALA 49 Ca -0.49 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2kha h ALA 49 Cb 1.17 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2kha h ALA 49 CO 0.54 -0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.92 2kha n GLY 50 N -1.33 3.92 1.35 0.00 0.00 -1.26 -4.31 105.19 103.55 2kha n GLY 50 Ca 0.14 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 13.75 0.00 -1.60 1.61 8.25 0.43 -4.75 115.22 132.91 2kha n HIS 51 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 2kha n HIS 51 Cb 0.00 0.32 -0.08 0.00 1.12 0.00 0.00 29.99 31.35 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 -0.71 1.18 -0.46 4.41 0.51 0.27 -4.73 118.94 119.41 2kha s TRP 52 Ca 0.00 1.99 0.03 0.00 -2.12 0.00 0.00 56.10 56.00 2kha s TRP 52 Cb 0.00 -3.44 0.12 0.00 -0.81 0.00 0.00 33.47 29.34 2kha s TRP 52 CO 0.00 -1.40 0.20 0.00 -0.51 0.00 0.00 176.95 175.24 2kha s ALA 53 N 15.02 3.18 -0.11 0.98 0.00 -1.21 -1.64 121.76 137.98 2kha s ALA 53 Ca 0.89 -2.96 -0.05 0.00 0.00 0.00 0.00 51.96 49.84 2kha s ALA 53 Cb -0.11 -2.16 0.05 0.00 0.00 0.00 0.00 23.12 20.90 2kha s ALA 53 CO 0.09 -1.90 0.26 0.50 0.00 0.00 0.00 175.76 174.72 2kha s ARG 54 N 0.25 0.20 -0.21 0.00 6.06 -0.89 -5.00 118.95 119.37 2kha s ARG 54 Ca 0.14 0.60 -0.18 0.00 -2.50 0.00 0.00 55.73 53.79 2kha s ARG 54 Cb -0.23 -0.10 -0.03 0.00 0.06 0.00 0.00 34.95 34.65 2kha s ARG 54 CO -0.03 -0.19 0.50 0.16 -2.50 0.00 0.00 175.30 173.23 2kha s ASP 55 N 1.52 6.53 0.11 -2.12 1.47 -1.26 -1.99 116.67 120.93 2kha s ASP 55 Ca -0.07 0.63 0.05 0.00 1.18 0.00 0.00 52.55 54.34 2kha s ASP 55 Cb -0.11 -2.28 -0.04 0.00 -0.34 0.00 0.00 42.92 40.15 2kha s ASP 55 CO -0.09 -0.17 0.03 -0.63 0.68 0.00 0.00 175.17 174.99 2kha s ILE 56 N 1.65 4.12 -0.02 2.11 1.01 -0.35 -4.95 121.20 124.76 2kha s ILE 56 Ca 0.23 -1.04 0.24 0.00 0.00 0.00 0.00 60.65 60.08 2kha s ILE 56 Cb -0.15 -3.00 0.41 0.00 0.01 0.00 0.00 42.46 39.73 2kha s ILE 56 CO 0.09 0.05 1.16 0.35 0.00 0.00 0.00 174.94 176.59 2kha n THR 57 N 0.30 0.07 -3.29 2.92 -2.24 -1.26 -1.34 114.28 109.44 2kha n THR 57 Ca -0.10 -1.06 -0.09 0.00 -2.27 0.00 0.00 64.05 60.54 2kha n THR 57 Cb 0.53 0.99 -0.05 0.00 -2.10 0.00 0.00 70.33 69.70 2kha n THR 57 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2kha s LYS 58 N -0.22 0.66 1.17 -0.78 -2.85 -1.26 -5.01 119.74 111.45 2kha s LYS 58 Ca 0.32 -0.45 -0.14 0.00 -1.00 0.00 0.00 55.97 54.70 2kha s LYS 58 Cb 0.37 -0.34 0.25 0.00 -2.06 0.00 0.00 37.83 36.04 2kha s LYS 58 CO -0.15 -1.16 0.80 -2.30 0.10 0.00 0.00 175.35 172.64 2kha n PRO 59 N 4.52 -2.29 -1.23 1.78 -0.02 -1.26 -4.71 135.00 131.79 2kha n PRO 59 Ca 0.09 -0.64 -0.21 0.00 -2.02 0.00 0.00 63.50 60.73 2kha n PRO 59 Cb 0.50 -2.07 0.14 0.00 -0.02 0.00 0.00 33.50 32.05 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 -4.35 2.41 -1.42 -0.52 4.81 0.34 -4.88 118.16 114.54 2kha n LYS 60 Ca 0.03 -3.30 0.00 0.00 -0.87 0.00 0.00 58.31 54.16 2kha n LYS 60 Cb 0.56 -2.10 0.00 0.00 0.02 0.00 0.00 35.03 33.50 2kha n LYS 60 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2kha n GLU 61 N -1.02 0.00 -0.57 1.64 2.13 -1.26 -4.35 120.64 117.20 2kha n GLU 61 Ca 0.50 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.79 2kha n GLU 61 Cb 1.11 -1.03 0.00 0.00 0.27 0.00 0.00 31.44 31.80 2kha n GLU 61 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kha n GLY 62 N -0.08 0.90 3.53 8.31 0.00 -1.26 -4.91 105.19 111.69 2kha n GLY 62 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2kha n GLY 62 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kha s ARG 63 N -0.30 0.55 0.57 1.61 6.06 -1.26 0.11 118.95 126.28 2kha s ARG 63 Ca 0.00 1.24 -0.16 0.00 -2.50 0.00 0.00 55.73 54.31 2kha s ARG 63 Cb 0.00 0.45 -0.05 0.00 0.06 0.00 0.00 34.95 35.41 2kha s ARG 63 CO 0.00 -0.19 1.03 -1.58 -2.50 0.00 0.00 175.30 172.06 2kha s TRP 64 N 2.29 3.19 -0.08 5.12 0.52 -0.82 0.13 118.94 129.29 2kha s TRP 64 Ca -0.07 1.48 -0.01 0.00 0.02 0.00 0.00 56.10 57.52 2kha s TRP 64 Cb -0.09 -2.91 0.03 0.00 -1.15 0.00 0.00 33.47 29.34 2kha s TRP 64 CO -0.17 -0.82 -0.01 0.99 0.02 0.00 0.00 176.95 176.95 2kha s THR 65 N -2.56 0.47 -0.29 2.01 2.01 -1.26 -2.49 115.64 113.53 2kha s THR 65 Ca 0.61 0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.70 2kha s THR 65 Cb -0.13 -0.60 0.08 0.00 0.01 0.00 0.00 72.50 71.85 2kha s THR 65 CO 0.36 0.27 -0.04 0.12 -0.69 0.00 0.00 174.62 174.65 2kha s PHE 66 N 1.88 3.24 -0.05 4.92 5.36 -0.37 -4.98 117.98 127.98 2kha s PHE 66 Ca 0.04 -2.45 0.01 0.00 -0.96 0.00 0.00 56.93 53.57 2kha s PHE 66 Cb -0.12 -2.21 -0.03 0.00 -0.34 0.00 0.00 43.02 40.31 2kha s PHE 66 CO -0.05 -0.89 -0.06 1.03 -1.46 0.00 0.00 175.22 173.79 2kha s ARG 67 N 1.10 2.71 -0.16 10.12 0.52 -1.26 -0.61 118.95 131.37 2kha s ARG 67 Ca -0.01 -0.59 -0.04 0.00 -0.52 0.00 0.00 55.73 54.58 2kha s ARG 67 Cb -0.19 -2.59 0.06 0.00 0.52 0.00 0.00 34.95 32.75 2kha s ARG 67 CO -0.07 0.65 0.07 -0.51 0.02 0.00 0.00 175.30 175.45 2kha s ASP 68 N -1.02 2.40 -0.14 0.23 1.01 0.12 -4.96 116.67 114.31 2kha s ASP 68 Ca 0.14 -0.60 0.05 0.00 0.71 0.00 0.00 52.55 52.85 2kha s ASP 68 Cb -0.11 -0.35 0.37 0.00 1.01 0.00 0.00 42.92 43.84 2kha s ASP 68 CO 0.04 -0.32 1.17 0.54 0.21 0.00 0.00 175.17 176.80 2kha n ARG 69 N 5.20 2.55 -1.80 8.23 1.74 -1.26 0.11 116.66 131.44 2kha n ARG 69 Ca -0.07 -1.47 -0.10 0.00 -0.77 0.00 0.00 57.85 55.43 2kha n ARG 69 Cb 0.49 -1.79 0.07 0.00 -1.02 0.00 0.00 32.46 30.20 2kha n ARG 69 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2kha n ASN 70 N 0.16 3.21 -3.73 0.55 4.13 -1.26 -4.61 115.26 113.71 2kha n ASN 70 Ca 0.17 -3.31 -0.29 0.00 1.68 0.00 0.00 54.58 52.83 2kha n ASN 70 Cb 0.78 -0.41 -0.12 0.00 -1.54 0.00 0.00 39.78 38.49 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 -3.24 2.60 -1.20 5.41 0.00 -1.26 -4.99 121.76 119.09 2kha s ALA 71 Ca 0.42 -2.99 -0.21 0.00 0.00 0.00 0.00 51.96 49.18 2kha s ALA 71 Cb 0.38 -1.94 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 2kha s ALA 71 CO -0.02 -2.05 1.84 0.21 0.00 0.00 0.00 175.76 175.74 2kha s LYS 72 N -0.27 3.10 0.83 0.00 2.36 -1.26 -2.50 119.74 121.99 2kha s LYS 72 Ca 0.22 -1.42 -0.12 0.00 -2.55 0.00 0.00 55.97 52.10 2kha s LYS 72 Cb -0.14 -5.35 0.09 0.00 -1.05 0.00 0.00 37.83 31.38 2kha s LYS 72 CO -0.08 -3.23 1.17 -0.51 1.55 0.00 0.00 175.35 174.25 2kha s LEU 73 N 8.19 2.41 0.02 5.43 1.43 -1.26 -5.05 118.68 129.85 2kha s LEU 73 Ca 0.62 0.82 0.02 0.00 -1.03 0.00 0.00 54.13 54.57 2kha s LEU 73 Cb 0.01 -3.29 -0.01 0.00 0.03 0.00 0.00 46.19 42.93 2kha s LEU 73 CO 0.09 -2.03 -0.07 -1.59 0.23 0.00 0.00 176.35 172.98 2kha s LYS 74 N -5.51 0.50 0.28 1.70 0.00 -1.26 -4.97 119.74 110.48 2kha s LYS 74 Ca 0.62 -0.50 -0.30 0.00 0.00 0.00 0.00 55.97 55.80 2kha s LYS 74 Cb -0.12 -0.38 -0.13 0.00 0.00 0.00 0.00 37.83 37.20 2kha s LYS 74 CO 0.50 0.09 1.36 -0.11 0.00 0.00 0.00 175.35 177.19 2kha n LEU 75 N 2.16 3.29 0.00 2.77 0.00 -1.24 -1.75 117.00 122.24 2kha n LEU 75 Ca -0.18 1.17 0.00 0.00 0.00 0.00 0.00 56.01 57.00 2kha n LEU 75 Cb 0.56 -1.45 0.00 0.00 0.00 0.00 0.00 43.42 42.53 2kha n LEU 75 CO 0.23 -0.48 0.00 0.61 0.00 0.00 0.00 177.39 177.75 2kha n GLY 76 N 1.62 2.92 3.69 -3.96 0.00 -1.25 -4.83 105.19 103.38 2kha n GLY 76 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 0.18 1.39 -4.51 1.61 -0.08 -0.72 -4.76 116.55 109.66 2kha n ASP 77 Ca 0.00 0.70 -0.30 0.00 -1.51 0.00 0.00 54.79 53.69 2kha n ASP 77 Cb 0.00 -1.51 -0.11 0.00 2.34 0.00 0.00 41.12 41.84 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 -3.67 1.94 0.09 -0.67 2.47 -1.26 -1.33 119.74 117.31 2kha s LYS 78 Ca 0.77 -1.09 0.03 0.00 -1.56 0.00 0.00 55.97 54.13 2kha s LYS 78 Cb -0.34 -2.19 -0.04 0.00 -1.46 0.00 0.00 37.83 33.81 2kha s LYS 78 CO 0.46 0.50 0.09 0.42 0.16 0.00 0.00 175.35 176.98 2kha s ILE 79 N -1.12 4.56 -0.08 5.43 1.09 0.33 -0.18 121.20 131.23 2kha s ILE 79 Ca 0.18 -0.78 -0.03 0.00 -1.10 0.00 0.00 60.65 58.91 2kha s ILE 79 Cb -0.11 -3.21 0.04 0.00 -1.06 0.00 0.00 42.46 38.13 2kha s ILE 79 CO 0.10 0.10 0.17 -0.31 -0.10 0.00 0.00 174.94 174.90 2kha s TYR 80 N -1.43 -0.20 0.16 3.97 2.02 -0.89 -2.25 117.35 118.73 2kha s TYR 80 Ca 0.30 0.57 -0.07 0.00 -0.37 0.00 0.00 57.07 57.49 2kha s TYR 80 Cb -0.12 -0.09 0.03 0.00 -0.40 0.00 0.00 41.96 41.38 2kha s TYR 80 CO 0.22 -0.20 0.37 1.97 -1.57 0.00 0.00 175.55 176.34 2kha n PHE 81 N 4.44 -1.53 -3.65 2.71 -1.74 -0.96 -0.06 117.46 116.67 2kha n PHE 81 Ca -0.22 -0.79 -0.11 0.00 -0.56 0.00 0.00 57.45 55.76 2kha n PHE 81 Cb 0.51 0.40 -0.08 0.00 1.52 0.00 0.00 39.48 41.84 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 -5.75 -0.85 0.31 2.97 1.48 0.80 -2.06 118.94 115.84 2kha s TRP 82 Ca 0.07 1.89 0.05 0.00 -1.06 0.00 0.00 56.10 57.06 2kha s TRP 82 Cb -0.02 0.39 -0.02 0.00 -1.16 0.00 0.00 33.47 32.66 2kha s TRP 82 CO 0.05 -0.42 0.44 0.95 -4.06 0.00 0.00 176.95 173.92 2kha s THR 83 N 0.88 4.55 -0.24 0.66 -4.23 -1.06 -1.73 115.64 114.47 2kha s THR 83 Ca -0.04 -0.94 -0.03 0.00 -1.18 0.00 0.00 61.69 59.50 2kha s THR 83 Cb -0.05 -3.60 0.11 0.00 1.34 0.00 0.00 72.50 70.30 2kha s THR 83 CO -0.07 -0.25 0.23 -0.47 -0.54 0.00 0.00 174.62 173.52 2kha s TYR 84 N -2.13 -0.24 0.32 3.99 5.04 0.18 -1.94 117.35 122.57 2kha s TYR 84 Ca 0.41 -0.07 0.07 0.00 -2.44 0.00 0.00 57.07 55.03 2kha s TYR 84 Cb -0.09 -0.48 -0.02 0.00 0.35 0.00 0.00 41.96 41.72 2kha s TYR 84 CO 0.31 -0.73 0.37 0.54 -1.34 0.00 0.00 175.55 174.70 2kha s VAL 85 N 2.30 3.99 -0.18 3.14 0.11 0.34 0.19 120.40 130.29 2kha s VAL 85 Ca 0.08 -1.17 -0.05 0.00 -2.93 0.00 0.00 61.98 57.91 2kha s VAL 85 Cb -0.15 -3.36 0.07 0.00 -1.53 0.00 0.00 36.38 31.41 2kha s VAL 85 CO -0.22 -0.19 0.12 -0.63 -3.33 0.00 0.00 175.10 170.85 2kha s ILE 86 N -2.21 -0.14 -0.91 7.04 -1.09 0.16 -2.09 121.20 121.97 2kha s ILE 86 Ca 0.42 -0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 2kha s ILE 86 Cb -0.08 -0.61 0.30 0.00 -1.58 0.00 0.00 42.46 40.49 2kha s ILE 86 CO 0.29 -0.28 1.30 1.17 -1.23 0.00 0.00 174.94 176.19 2kha n LYS 87 N 5.29 4.02 -2.79 2.79 0.00 -1.00 0.25 118.16 126.72 2kha n LYS 87 Ca -0.07 -4.64 -0.05 0.00 0.00 0.00 0.00 58.31 53.55 2kha n LYS 87 Cb 0.49 -2.41 0.02 0.00 0.00 0.00 0.00 35.03 33.13 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 0.81 -6.16 -1.12 3.14 2.03 -1.26 -3.58 116.55 110.40 2kha n ASP 88 Ca 0.31 -0.28 -0.10 0.00 0.52 0.00 0.00 54.79 55.24 2kha n ASP 88 Cb 0.35 -4.31 -0.01 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 -1.46 0.12 2.34 0.27 0.00 -1.26 -4.96 105.19 100.24 2kha n GLY 89 Ca -0.02 -0.47 -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 -1.44 -0.57 -4.89 0.99 4.77 -1.23 -5.13 117.00 109.49 2kha n LEU 90 Ca -0.12 -4.34 -0.29 0.00 -0.03 0.00 0.00 56.01 51.22 2kha n LEU 90 Cb 0.56 0.65 0.01 0.00 -2.33 0.00 0.00 43.42 42.30 2kha n LEU 90 CO 0.14 2.00 0.60 -0.83 -1.33 0.00 0.00 177.39 177.98 2kha s GLY 91 N -0.79 1.59 -0.05 -0.72 0.00 -1.25 -2.38 107.32 103.72 2kha s GLY 91 Ca 0.34 -0.31 -0.18 0.00 0.00 0.00 0.00 44.72 44.57 2kha s GLY 91 CO -0.15 -0.07 0.41 -0.19 0.00 0.00 0.00 173.10 173.11 2kha s TYR 92 N -3.01 -0.34 0.07 1.90 2.02 -0.89 -4.95 117.35 112.15 2kha s TYR 92 Ca 0.52 0.64 0.07 0.00 -0.37 0.00 0.00 57.07 57.93 2kha s TYR 92 Cb -0.11 0.17 -0.03 0.00 -0.40 0.00 0.00 41.96 41.60 2kha s TYR 92 CO 0.50 -0.40 -0.19 -0.98 -1.57 0.00 0.00 175.55 172.91 2kha s ARG 93 N -0.97 1.15 -0.97 -0.62 1.70 -1.25 -0.50 118.95 117.49 2kha s ARG 93 Ca -0.10 -1.00 -0.03 0.00 -0.47 0.00 0.00 55.73 54.13 2kha s ARG 93 Cb -0.04 -1.30 0.27 0.00 -0.57 0.00 0.00 34.95 33.32 2kha s ARG 93 CO 0.05 0.31 1.13 0.94 -1.08 0.00 0.00 175.30 176.65 2kha n GLN 94 N 1.48 3.56 -2.05 3.89 7.27 -0.82 -4.74 117.38 125.98 2kha n GLN 94 Ca -0.19 -4.55 -0.28 0.00 0.07 0.00 0.00 57.00 52.05 2kha n GLN 94 Cb 0.54 -2.45 0.15 0.00 2.41 0.00 0.00 30.24 30.89 2kha n GLN 94 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 2kha s ASP 95 N -1.01 3.63 -2.17 1.69 1.47 -1.26 -2.55 116.67 116.47 2kha s ASP 95 Ca 0.32 0.26 0.00 0.00 1.18 0.00 0.00 52.55 54.30 2kha s ASP 95 Cb 0.01 -0.46 0.00 0.00 -0.34 0.00 0.00 42.92 42.13 2kha s ASP 95 CO 0.00 -2.39 0.00 -3.20 0.68 0.00 0.00 175.17 170.26 2kha n ASN 96 N -3.49 -5.53 -4.89 2.11 4.05 -1.21 -4.93 115.26 101.36 2kha n ASN 96 Ca 0.14 0.51 -0.30 0.00 0.45 0.00 0.00 54.58 55.38 2kha n ASN 96 Cb 0.60 -4.84 0.02 0.00 1.23 0.00 0.00 39.78 36.80 2kha n ASN 96 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 2kha s GLY 97 N -2.76 1.62 0.16 8.20 0.00 -0.88 -4.95 107.32 108.72 2kha s GLY 97 Ca 0.00 -0.31 -0.16 0.00 0.00 0.00 0.00 44.72 44.24 2kha s GLY 97 CO 0.00 -0.02 0.46 -1.83 0.00 0.00 0.00 173.10 171.70 2kha s GLU 98 N -5.15 1.23 0.21 2.90 -1.05 -1.26 -2.27 118.70 113.31 2kha s GLU 98 Ca 0.55 -0.81 -0.17 0.00 -0.15 0.00 0.00 54.97 54.39 2kha s GLU 98 Cb -0.11 0.49 0.02 0.00 -0.44 0.00 0.00 34.13 34.09 2kha s GLU 98 CO 0.51 -0.50 0.52 -0.46 0.95 0.00 0.00 175.26 176.27 2kha s TRP 99 N -3.85 -0.03 0.27 4.83 -0.00 -0.96 -4.93 118.94 114.27 2kha s TRP 99 Ca 0.07 -0.32 0.07 0.00 -0.00 0.00 0.00 56.10 55.92 2kha s TRP 99 Cb 0.01 0.37 -0.03 0.00 -0.00 0.00 0.00 33.47 33.81 2kha s TRP 99 CO -0.07 -0.94 0.22 -0.08 -0.00 0.00 0.00 176.95 176.08 2kha s THR 100 N -3.90 4.32 0.00 5.86 -1.32 -1.26 0.12 115.64 119.46 2kha s THR 100 Ca 0.11 -1.38 0.00 0.00 -1.21 0.00 0.00 61.69 59.21 2kha s THR 100 Cb -0.01 -3.38 0.00 0.00 -1.51 0.00 0.00 72.50 67.60 2kha s THR 100 CO -0.00 -0.32 0.44 0.52 -2.21 0.00 0.00 174.62 173.05 2kha n VAL 101 N -1.22 0.00 0.23 5.08 0.31 -0.44 -4.69 118.33 117.60 2kha n VAL 101 Ca -0.07 -0.45 0.10 0.00 -0.01 0.00 0.00 64.34 63.91 2kha n VAL 101 Cb 0.58 1.09 0.49 0.00 -0.91 0.00 0.00 33.84 35.09 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 -0.03 1.07 -4.24 2.52 -2.24 -1.26 -3.70 114.28 106.40 2kha n THR 102 Ca 0.00 0.54 -0.18 0.00 -2.27 0.00 0.00 64.05 62.14 2kha n THR 102 Cb 0.02 -1.51 -0.11 0.00 -2.10 0.00 0.00 70.33 66.63 2kha n THR 102 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2kha s GLU 103 N -3.40 1.03 0.02 -0.78 -1.05 -1.26 -4.74 118.70 108.51 2kha s GLU 103 Ca 0.00 -1.24 0.02 0.00 -0.15 0.00 0.00 54.97 53.60 2kha s GLU 103 Cb 0.07 -0.93 -0.01 0.00 -0.44 0.00 0.00 34.13 32.82 2kha s GLU 103 CO 0.24 0.18 -0.07 -0.06 0.95 0.00 0.00 175.26 176.50 2kha s PHE 104 N -2.11 0.61 0.42 4.83 0.40 -1.26 -3.91 117.98 116.95 2kha s PHE 104 Ca 0.09 -0.28 0.06 0.00 -0.60 0.00 0.00 56.93 56.20 2kha s PHE 104 Cb -0.05 -0.38 0.01 0.00 0.51 0.00 0.00 43.02 43.11 2kha s PHE 104 CO 0.03 -0.04 0.58 0.14 0.70 0.00 0.00 175.22 176.63 2kha s VAL 105 N -0.71 3.30 0.33 -0.44 -7.23 0.37 0.12 120.40 116.14 2kha s VAL 105 Ca -0.03 -0.93 -0.13 0.00 -1.81 0.00 0.00 61.98 59.08 2kha s VAL 105 Cb -0.06 -3.13 -0.08 0.00 0.56 0.00 0.00 36.38 33.67 2kha s VAL 105 CO 0.00 -0.06 0.72 0.20 -0.31 0.00 0.00 175.10 175.65 2kha s ASN 106 N -4.31 6.69 0.50 4.85 0.01 1.38 -3.82 114.94 120.25 2kha s ASN 106 Ca 0.52 1.19 0.25 0.00 -0.71 0.00 0.00 52.86 54.12 2kha s ASN 106 Cb -0.10 -2.34 1.35 0.00 0.41 0.00 0.00 41.25 40.57 2kha s ASN 106 CO 0.33 -0.23 1.73 -0.33 -1.51 0.00 0.00 177.10 177.09 2kha h GLU 107 N 2.06 0.00 0.00 -0.60 5.08 -1.88 0.88 114.58 120.12 2kha h GLU 107 Ca -0.48 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.76 2kha h GLU 107 Cb 1.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2kha h GLU 107 CO 0.65 0.00 -0.60 0.22 -1.00 0.00 0.00 179.01 178.28 2kha h ASP 108 N 0.00 0.00 0.00 1.42 1.82 -2.01 -3.47 116.42 114.18 2kha h ASP 108 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2kha h ASP 108 Cb 0.45 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.46 2kha h ASP 108 CO 0.00 0.60 0.00 0.61 -1.61 0.00 0.00 179.24 178.84 2kha n GLY 109 N 0.21 1.64 3.22 -0.78 0.00 0.31 -5.13 105.19 104.65 2kha n GLY 109 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 0.85 0.08 2.61 -4.23 -1.22 -4.86 115.64 106.87 2kha s THR 110 Ca 0.00 -1.99 -0.37 0.00 -1.18 0.00 0.00 61.69 58.15 2kha s THR 110 Cb 0.00 -1.86 -0.17 0.00 1.34 0.00 0.00 72.50 71.81 2kha s THR 110 CO 0.00 -0.72 1.26 -2.65 -0.54 0.00 0.00 174.62 171.97 2kha n PRO 111 N -0.15 0.91 -1.64 3.99 -0.02 -1.26 0.41 135.00 137.23 2kha n PRO 111 Ca -0.10 0.33 -0.43 0.00 -2.02 0.00 0.00 63.50 61.28 2kha n PRO 111 Cb 0.61 -1.92 -0.03 0.00 -0.02 0.00 0.00 33.50 32.15 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 0.30 2.94 0.00 3.55 0.00 0.32 -4.41 121.76 124.45 2kha s ALA 112 Ca 0.84 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.69 2kha s ALA 112 Cb -1.01 -4.02 0.00 0.00 0.00 0.00 0.00 23.12 18.10 2kha s ALA 112 CO 0.49 -2.49 0.00 -3.47 0.00 0.00 0.00 175.76 170.29 2kha n ASP 113 N 10.63 1.62 -2.46 0.00 2.03 -1.26 -4.86 116.55 122.25 2kha n ASP 113 Ca 0.27 -0.96 -0.16 0.00 0.52 0.00 0.00 54.79 54.45 2kha n ASP 113 Cb 0.44 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.88 2kha n ASP 113 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2kha n THR 114 N 0.00 -1.80 -3.37 5.18 -1.04 -1.26 -4.99 114.28 107.00 2kha n THR 114 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.83 2kha n THR 114 Cb 0.00 -3.04 -0.08 0.00 -1.82 0.00 0.00 70.33 65.39 2kha n THR 114 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2kha s SER 115 N -3.02 1.39 -0.57 8.00 0.01 -1.26 -4.98 113.70 113.27 2kha s SER 115 Ca 0.32 -1.63 -0.05 0.00 1.31 0.00 0.00 55.95 55.91 2kha s SER 115 Cb -0.14 0.45 0.01 0.00 0.21 0.00 0.00 66.02 66.54 2kha s SER 115 CO 0.40 -0.27 0.60 -0.11 0.41 0.00 0.00 173.24 174.27 2kha n LEU 116 N 4.25 -6.70 -3.72 2.44 7.94 -1.26 -5.03 117.00 114.93 2kha n LEU 116 Ca 0.11 0.12 -0.30 0.00 -1.11 0.00 0.00 56.01 54.83 2kha n LEU 116 Cb 0.44 -3.12 -0.14 0.00 0.53 0.00 0.00 43.42 41.13 2kha n LEU 116 CO 0.09 -1.40 -0.29 -1.61 -1.11 0.00 0.00 177.39 173.07 2kha s GLU 117 N -2.82 1.01 0.00 1.96 0.41 -1.26 -5.20 118.70 112.80 2kha s GLU 117 Ca 0.08 -1.56 0.00 0.00 -0.41 0.00 0.00 54.97 53.08 2kha s GLU 117 Cb -0.02 -2.17 0.00 0.00 -1.78 0.00 0.00 34.13 30.16 2kha s GLU 117 CO 0.68 -1.08 0.27 -2.30 -0.49 0.00 0.00 175.26 172.35