#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhi n SER 2 N 0.00 0.79 -3.72 1.61 2.88 -1.26 -4.88 113.62 109.04 2dhi n SER 2 Ca 0.00 0.61 -0.10 0.00 -1.33 0.00 0.00 58.87 58.05 2dhi n SER 2 Cb 0.00 -0.93 -0.06 0.00 -0.75 0.00 0.00 64.21 62.47 2dhi n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dhi s SER 3 N 6.40 -0.12 0.47 -3.46 1.04 -1.26 -5.12 113.70 111.65 2dhi s SER 3 Ca 1.21 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 57.29 2dhi s SER 3 Cb -1.43 0.41 0.00 0.00 0.10 0.00 0.00 66.02 65.09 2dhi s SER 3 CO 0.63 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.71 2dhi n GLY 4 N 0.06 0.19 0.63 7.32 0.00 -1.26 -4.64 105.19 107.48 2dhi n GLY 4 Ca -0.17 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 2dhi n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dhi n SER 5 N -0.97 1.12 -3.92 1.61 2.88 -1.26 -5.02 113.62 108.07 2dhi n SER 5 Ca 0.00 0.18 -0.26 0.00 -1.33 0.00 0.00 58.87 57.46 2dhi n SER 5 Cb 0.00 -0.42 -0.17 0.00 -0.75 0.00 0.00 64.21 62.87 2dhi n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dhi s SER 6 N -6.04 1.97 -0.83 -3.46 0.15 -1.26 -5.09 113.70 99.15 2dhi s SER 6 Ca -0.15 -0.27 -0.19 0.00 0.70 0.00 0.00 55.95 56.04 2dhi s SER 6 Cb 0.04 -0.78 0.13 0.00 -1.71 0.00 0.00 66.02 63.70 2dhi s SER 6 CO 0.20 -0.09 1.00 -0.83 1.20 0.00 0.00 173.24 174.73 2dhi s GLY 7 N 1.47 1.91 0.03 9.45 0.00 -1.26 -5.00 107.32 113.91 2dhi s GLY 7 Ca 0.00 -2.62 -0.33 0.00 0.00 0.00 0.00 44.72 41.77 2dhi s GLY 7 CO -0.05 1.88 0.85 0.69 0.00 0.00 0.00 173.10 176.47 2dhi n PHE 8 N 6.41 0.41 0.01 1.90 3.72 -1.26 -4.72 117.46 123.92 2dhi n PHE 8 Ca 0.14 0.90 -0.15 0.00 -0.05 0.00 0.00 57.45 58.30 2dhi n PHE 8 Cb 0.47 -1.79 -0.09 0.00 -0.94 0.00 0.00 39.48 37.14 2dhi n PHE 8 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2dhi h VAL 9 N 2.33 0.03 -3.38 -4.37 2.07 -0.40 -3.44 116.25 109.10 2dhi h VAL 9 Ca -0.41 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 66.93 2dhi h VAL 9 Cb 1.23 0.03 -0.25 0.00 -1.52 0.00 0.00 31.29 30.79 2dhi h VAL 9 CO 0.55 0.00 -0.52 -0.75 0.02 0.00 0.00 177.57 176.87 2dhi s LYS 10 N -5.76 0.26 -0.01 1.57 2.20 -1.26 -5.02 119.74 111.72 2dhi s LYS 10 Ca -0.16 0.07 0.01 0.00 -0.36 0.00 0.00 55.97 55.53 2dhi s LYS 10 Cb 0.08 0.12 0.01 0.00 -1.51 0.00 0.00 37.83 36.52 2dhi s LYS 10 CO 0.62 -0.05 -0.02 -1.54 -0.36 0.00 0.00 175.35 174.01 2dhi s SER 11 N -0.28 0.33 0.11 1.43 1.04 -1.26 -2.42 113.70 112.65 2dhi s SER 11 Ca -0.04 -0.04 -0.26 0.00 0.48 0.00 0.00 55.95 56.10 2dhi s SER 11 Cb -0.03 -0.10 0.07 0.00 0.10 0.00 0.00 66.02 66.07 2dhi s SER 11 CO 0.01 -0.02 0.88 -0.83 0.98 0.00 0.00 173.24 174.25 2dhi s GLY 12 N 0.33 -0.35 -0.08 7.32 0.00 -1.17 -5.04 107.32 108.34 2dhi s GLY 12 Ca -0.03 0.45 -0.30 0.00 0.00 0.00 0.00 44.72 44.84 2dhi s GLY 12 CO -0.01 0.13 1.09 -0.98 0.00 0.00 0.00 173.10 173.34 2dhi s TRP 13 N -3.33 3.37 0.01 1.90 0.52 -1.26 -3.04 118.94 117.11 2dhi s TRP 13 Ca 0.08 1.43 -0.03 0.00 0.02 0.00 0.00 56.10 57.60 2dhi s TRP 13 Cb -0.02 -3.29 -0.01 0.00 -1.15 0.00 0.00 33.47 29.00 2dhi s TRP 13 CO -0.03 -0.72 0.05 -0.51 0.02 0.00 0.00 176.95 175.76 2dhi s LEU 14 N 2.07 1.92 0.31 2.99 1.43 -0.76 -4.72 118.68 121.92 2dhi s LEU 14 Ca 0.52 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 53.21 2dhi s LEU 14 Cb -0.21 0.33 -0.07 0.00 0.03 0.00 0.00 46.19 46.26 2dhi s LEU 14 CO 0.20 -0.29 0.65 -0.76 0.23 0.00 0.00 176.35 176.39 2dhi s LEU 15 N -1.22 4.04 -0.11 1.79 1.43 -0.62 -0.21 118.68 123.78 2dhi s LEU 15 Ca -0.13 1.04 -0.03 0.00 -1.03 0.00 0.00 54.13 53.97 2dhi s LEU 15 Cb -0.08 -3.85 0.05 0.00 0.03 0.00 0.00 46.19 42.34 2dhi s LEU 15 CO 0.00 -0.20 0.13 -0.60 0.23 0.00 0.00 176.35 175.91 2dhi s ARG 16 N -3.21 0.04 -0.37 1.70 3.52 -0.66 -1.66 118.95 118.31 2dhi s ARG 16 Ca 0.50 0.34 -0.28 0.00 -0.13 0.00 0.00 55.73 56.16 2dhi s ARG 16 Cb -0.11 -0.77 -0.04 0.00 -1.56 0.00 0.00 34.95 32.47 2dhi s ARG 16 CO 0.24 -0.44 2.03 -1.14 -0.81 0.00 0.00 175.30 175.18 2dhi s GLN 17 N 2.24 2.96 0.91 5.12 0.74 -0.25 -3.07 119.66 128.32 2dhi s GLN 17 Ca 0.04 1.48 -0.11 0.00 0.05 0.00 0.00 55.36 56.81 2dhi s GLN 17 Cb -0.13 -4.34 0.14 0.00 1.10 0.00 0.00 33.01 29.77 2dhi s GLN 17 CO -0.07 -2.30 1.09 -1.54 -0.55 0.00 0.00 175.29 171.93 2dhi s SER 18 N 8.05 3.27 0.04 6.67 1.04 -0.99 -4.66 113.70 127.12 2dhi s SER 18 Ca 0.87 1.56 0.22 0.00 0.48 0.00 0.00 55.95 59.08 2dhi s SER 18 Cb -0.23 -2.23 -0.19 0.00 0.10 0.00 0.00 66.02 63.47 2dhi s SER 18 CO 0.31 -2.78 0.73 0.35 0.98 0.00 0.00 173.24 172.83 2dhi n THR 19 N -3.98 0.18 -0.10 2.02 -2.24 -1.26 -3.11 114.28 105.79 2dhi n THR 19 Ca 0.07 -0.44 -0.17 0.00 -2.27 0.00 0.00 64.05 61.24 2dhi n THR 19 Cb 0.55 0.01 -0.07 0.00 -2.10 0.00 0.00 70.33 68.71 2dhi n THR 19 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2dhi n ILE 20 N -2.28 1.50 0.68 2.28 5.41 -1.26 -4.38 119.36 121.31 2dhi n ILE 20 Ca -0.02 -0.03 0.13 0.00 1.00 0.00 0.00 62.75 63.83 2dhi n ILE 20 Cb 0.53 -2.15 0.46 0.00 -0.71 0.00 0.00 39.64 37.78 2dhi n ILE 20 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2dhi n LEU 21 N -4.44 0.56 -4.13 1.39 4.32 -1.26 -4.91 117.00 108.54 2dhi n LEU 21 Ca -0.28 0.57 -0.35 0.00 -0.02 0.00 0.00 56.01 55.92 2dhi n LEU 21 Cb 0.60 -0.41 -0.03 0.00 -1.62 0.00 0.00 43.42 41.97 2dhi n LEU 21 CO 0.13 -0.19 -0.03 0.29 -1.22 0.00 0.00 177.39 176.36 2dhi n LYS 22 N -2.04 -3.02 -4.00 3.23 4.76 -1.18 -4.92 118.16 110.98 2dhi n LYS 22 Ca 0.05 0.36 -0.08 0.00 -2.87 0.00 0.00 58.31 55.77 2dhi n LYS 22 Cb 0.37 -5.08 -0.09 0.00 -1.84 0.00 0.00 35.03 28.39 2dhi n LYS 22 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2dhi s ARG 23 N -6.83 0.72 -0.32 1.97 1.70 -1.26 -4.91 118.95 110.03 2dhi s ARG 23 Ca 0.71 -1.13 -0.29 0.00 -0.47 0.00 0.00 55.73 54.55 2dhi s ARG 23 Cb -0.39 0.27 0.01 0.00 -0.57 0.00 0.00 34.95 34.26 2dhi s ARG 23 CO 0.87 -0.18 1.22 -1.58 -1.08 0.00 0.00 175.30 174.55 2dhi s TRP 24 N -3.90 2.84 -0.10 5.89 0.52 -1.26 -2.35 118.94 120.58 2dhi s TRP 24 Ca 0.07 0.96 0.03 0.00 0.02 0.00 0.00 56.10 57.18 2dhi s TRP 24 Cb 0.07 -3.88 -0.01 0.00 -1.15 0.00 0.00 33.47 28.50 2dhi s TRP 24 CO -0.10 -1.38 -0.20 -1.59 0.02 0.00 0.00 176.95 173.70 2dhi s LYS 25 N 4.02 2.99 0.07 4.98 -2.85 -1.17 -4.88 119.74 122.91 2dhi s LYS 25 Ca 0.52 -0.81 -0.31 0.00 -1.00 0.00 0.00 55.97 54.38 2dhi s LYS 25 Cb -0.15 -2.38 -0.09 0.00 -2.06 0.00 0.00 37.83 33.16 2dhi s LYS 25 CO 0.21 0.28 1.74 0.21 0.10 0.00 0.00 175.35 177.89 2dhi s LYS 26 N 0.13 4.17 0.09 1.78 2.47 -1.26 -1.65 119.74 125.47 2dhi s LYS 26 Ca -0.10 2.43 0.04 0.00 -1.56 0.00 0.00 55.97 56.77 2dhi s LYS 26 Cb -0.16 -3.68 -0.03 0.00 -1.46 0.00 0.00 37.83 32.50 2dhi s LYS 26 CO 0.06 -0.80 -0.10 -0.80 0.16 0.00 0.00 175.35 173.87 2dhi s ASN 27 N 2.77 1.40 -0.14 1.43 0.02 0.71 -4.91 114.94 116.23 2dhi s ASN 27 Ca 0.77 -0.79 -0.18 0.00 -1.02 0.00 0.00 52.86 51.65 2dhi s ASN 27 Cb -0.42 0.01 -0.04 0.00 0.02 0.00 0.00 41.25 40.83 2dhi s ASN 27 CO 0.34 -0.26 0.46 0.86 0.02 0.00 0.00 177.10 178.52 2dhi s TRP 28 N -2.34 3.48 0.09 2.20 -0.00 -0.32 -1.82 118.94 120.22 2dhi s TRP 28 Ca 0.04 0.82 0.08 0.00 -0.00 0.00 0.00 56.10 57.04 2dhi s TRP 28 Cb -0.03 -2.54 -0.04 0.00 -0.00 0.00 0.00 33.47 30.85 2dhi s TRP 28 CO -0.00 0.12 -0.19 -0.06 -0.00 0.00 0.00 176.95 176.83 2dhi s PHE 29 N 0.81 2.53 -0.27 5.86 0.40 -1.17 -0.32 117.98 125.83 2dhi s PHE 29 Ca 0.24 -0.27 -0.04 0.00 -0.60 0.00 0.00 56.93 56.27 2dhi s PHE 29 Cb -0.15 -1.38 0.15 0.00 0.51 0.00 0.00 43.02 42.15 2dhi s PHE 29 CO 0.09 0.34 0.50 -0.51 0.70 0.00 0.00 175.22 176.34 2dhi s ASP 30 N -1.89 -0.62 0.14 1.36 1.11 -0.38 -3.02 116.67 113.37 2dhi s ASP 30 Ca 0.17 0.76 -0.18 0.00 0.18 0.00 0.00 52.55 53.48 2dhi s ASP 30 Cb -0.11 1.70 -0.07 0.00 1.07 0.00 0.00 42.92 45.51 2dhi s ASP 30 CO 0.08 -0.26 0.62 -0.22 1.18 0.00 0.00 175.17 176.57 2dhi s LEU 31 N 2.72 4.42 0.58 1.23 2.96 -1.01 -1.61 118.68 127.96 2dhi s LEU 31 Ca 0.11 1.27 0.04 0.00 -0.22 0.00 0.00 54.13 55.34 2dhi s LEU 31 Cb -0.14 -3.23 0.07 0.00 0.50 0.00 0.00 46.19 43.39 2dhi s LEU 31 CO -0.18 0.15 0.80 0.26 -1.32 0.00 0.00 176.35 176.07 2dhi s TRP 32 N -1.34 2.05 0.17 5.38 0.52 0.63 0.27 118.94 126.63 2dhi s TRP 32 Ca 0.36 -0.37 0.08 0.00 0.02 0.00 0.00 56.10 56.19 2dhi s TRP 32 Cb -0.17 -2.59 -0.01 0.00 -1.15 0.00 0.00 33.47 29.55 2dhi s TRP 32 CO 0.20 -1.11 1.40 1.03 0.02 0.00 0.00 176.95 178.49 2dhi h SER 33 N 0.04 0.01 0.68 2.95 0.87 -1.85 -3.05 113.55 113.20 2dhi h SER 33 Ca -0.36 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2dhi h SER 33 Cb 1.28 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2dhi h SER 33 CO 0.44 0.87 0.00 -0.90 -0.53 0.00 0.00 176.83 176.71 2dhi n ASP 34 N -3.52 0.00 0.00 6.23 5.68 -1.26 -4.89 116.55 118.79 2dhi n ASP 34 Ca -0.01 0.10 0.00 0.00 -0.50 0.00 0.00 54.79 54.38 2dhi n ASP 34 Cb 0.82 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 2dhi n ASP 34 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dhi n GLY 35 N 1.20 2.06 3.67 6.12 0.00 -1.15 -4.68 105.19 112.41 2dhi n GLY 35 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 2dhi n GLY 35 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dhi n HIS 36 N -0.14 2.17 -5.01 1.61 8.25 -1.26 -3.62 115.22 117.21 2dhi n HIS 36 Ca 0.00 0.46 -0.32 0.00 -0.26 0.00 0.00 57.72 57.60 2dhi n HIS 36 Cb 0.00 -2.45 -0.16 0.00 1.12 0.00 0.00 29.99 28.51 2dhi n HIS 36 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2dhi s LEU 37 N -0.11 2.40 -0.03 2.41 2.96 0.05 -0.27 118.68 126.09 2dhi s LEU 37 Ca 0.65 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 54.16 2dhi s LEU 37 Cb -0.63 -1.50 0.00 0.00 0.50 0.00 0.00 46.19 44.55 2dhi s LEU 37 CO 0.52 0.18 -0.10 -0.63 -1.32 0.00 0.00 176.35 175.00 2dhi s ILE 38 N 0.27 0.86 0.09 6.68 1.01 -0.64 -0.91 121.20 128.56 2dhi s ILE 38 Ca -0.13 -0.40 0.08 0.00 0.00 0.00 0.00 60.65 60.20 2dhi s ILE 38 Cb -0.16 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 2dhi s ILE 38 CO 0.07 0.27 -0.21 -0.72 0.00 0.00 0.00 174.94 174.35 2dhi s TYR 39 N 0.19 1.76 0.34 3.97 1.13 -1.09 -1.25 117.35 122.40 2dhi s TYR 39 Ca -0.03 -0.41 0.09 0.00 -1.41 0.00 0.00 57.07 55.31 2dhi s TYR 39 Cb -0.09 -0.99 -0.06 0.00 -1.10 0.00 0.00 41.96 39.73 2dhi s TYR 39 CO 0.01 0.17 -0.05 0.71 -2.51 0.00 0.00 175.55 173.89 2dhi s TYR 40 N -1.08 2.47 0.19 -3.49 1.51 0.57 -1.55 117.35 115.96 2dhi s TYR 40 Ca 0.06 -0.46 -0.09 0.00 -1.01 0.00 0.00 57.07 55.57 2dhi s TYR 40 Cb -0.10 -1.42 0.08 0.00 -0.11 0.00 0.00 41.96 40.41 2dhi s TYR 40 CO 0.04 0.54 1.64 0.22 -1.11 0.00 0.00 175.55 176.87 2dhi h ASP 41 N 1.92 1.04 -4.02 2.29 3.58 -1.65 -0.83 116.42 118.75 2dhi h ASP 41 Ca -0.42 -0.31 -0.32 0.00 0.42 0.00 0.00 57.03 56.40 2dhi h ASP 41 Cb 1.25 -0.28 -0.08 0.00 1.72 0.00 0.00 39.33 41.94 2dhi h ASP 41 CO 0.68 1.10 -0.26 -0.90 -2.88 0.00 0.00 179.24 176.98 2dhi n ASP 42 N -4.17 -0.87 0.23 2.28 5.68 -1.26 -4.45 116.55 113.98 2dhi n ASP 42 Ca 0.03 -2.73 0.06 0.00 -0.50 0.00 0.00 54.79 51.65 2dhi n ASP 42 Cb 0.36 1.78 0.53 0.00 -1.14 0.00 0.00 41.12 42.64 2dhi n ASP 42 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 2dhi h GLN 43 N 0.00 0.00 0.00 0.11 4.15 -1.99 -2.03 115.11 115.35 2dhi h GLN 43 Ca -0.21 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.21 2dhi h GLN 43 Cb 1.01 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.70 2dhi h GLN 43 CO 0.30 0.20 0.05 0.25 -1.93 0.00 0.00 178.83 177.70 2dhi n THR 44 N -4.14 1.15 -4.39 2.39 -2.24 -1.26 -4.80 114.28 100.99 2dhi n THR 44 Ca -0.02 0.69 -0.39 0.00 -2.27 0.00 0.00 64.05 62.05 2dhi n THR 44 Cb 0.27 -1.69 -0.06 0.00 -2.10 0.00 0.00 70.33 66.75 2dhi n THR 44 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dhi n ARG 45 N -2.05 -1.72 -0.00 -0.78 1.74 -0.76 -4.79 116.66 108.30 2dhi n ARG 45 Ca -0.01 0.23 0.10 0.00 -0.77 0.00 0.00 57.85 57.40 2dhi n ARG 45 Cb 0.08 -4.77 -0.13 0.00 -1.02 0.00 0.00 32.46 26.62 2dhi n ARG 45 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2dhi n GLN 46 N -4.23 0.51 -3.72 5.56 6.02 -1.26 -4.75 117.38 115.51 2dhi n GLN 46 Ca 0.06 -0.06 -0.30 0.00 -0.01 0.00 0.00 57.00 56.70 2dhi n GLN 46 Cb 0.49 -1.45 -0.13 0.00 1.02 0.00 0.00 30.24 30.17 2dhi n GLN 46 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2dhi s SER 47 N -3.30 3.69 -0.58 1.08 0.15 -1.26 -5.07 113.70 108.40 2dhi s SER 47 Ca 0.03 -2.63 -0.26 0.00 0.70 0.00 0.00 55.95 53.79 2dhi s SER 47 Cb 0.14 -1.06 -0.07 0.00 -1.71 0.00 0.00 66.02 63.32 2dhi s SER 47 CO 0.82 -0.27 2.29 -0.63 1.20 0.00 0.00 173.24 176.65 2dhi s ILE 48 N 0.34 3.09 0.01 6.45 1.01 -1.26 -1.75 121.20 129.09 2dhi s ILE 48 Ca 0.17 0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.80 2dhi s ILE 48 Cb -0.25 -3.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.98 2dhi s ILE 48 CO 0.00 -0.22 1.07 -0.33 0.00 0.00 0.00 174.94 175.46 2dhi h GLU 49 N 17.25 -0.08 -2.59 2.79 4.39 -1.58 -3.47 114.58 131.30 2dhi h GLU 49 Ca -0.19 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.57 2dhi h GLU 49 Cb 1.19 0.02 -0.14 0.00 -0.10 0.00 0.00 28.75 29.72 2dhi h GLU 49 CO 1.15 -0.05 0.37 -0.51 -1.16 0.00 0.00 179.01 178.81 2dhi s ASP 50 N -2.84 -0.45 -0.03 1.42 1.01 -1.21 -5.06 116.67 109.50 2dhi s ASP 50 Ca -0.02 0.01 0.05 0.00 0.71 0.00 0.00 52.55 53.30 2dhi s ASP 50 Cb 0.01 0.48 -0.01 0.00 1.01 0.00 0.00 42.92 44.41 2dhi s ASP 50 CO 0.08 -0.77 -0.19 -0.75 0.21 0.00 0.00 175.17 173.75 2dhi s LYS 51 N -3.37 1.77 -0.14 8.23 2.20 -1.26 -2.68 119.74 124.49 2dhi s LYS 51 Ca 0.03 -0.67 -0.13 0.00 -0.36 0.00 0.00 55.97 54.85 2dhi s LYS 51 Cb -0.01 -1.59 0.04 0.00 -1.51 0.00 0.00 37.83 34.75 2dhi s LYS 51 CO -0.11 0.32 0.38 0.08 -0.36 0.00 0.00 175.35 175.66 2dhi s VAL 52 N -0.16 -0.00 0.71 4.02 1.01 -0.09 -5.01 120.40 120.87 2dhi s VAL 52 Ca 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 2dhi s VAL 52 Cb -0.10 -0.53 0.04 0.00 0.00 0.00 0.00 36.38 35.79 2dhi s VAL 52 CO 0.01 0.00 1.05 -2.28 0.00 0.00 0.00 175.10 173.89 2dhi s HIS 53 N 0.27 3.10 0.00 5.22 2.46 -1.26 -0.77 115.29 124.30 2dhi s HIS 53 Ca -0.01 0.71 0.00 0.00 0.47 0.00 0.00 55.06 56.23 2dhi s HIS 53 Cb -0.03 -3.14 0.00 0.00 -0.13 0.00 0.00 32.58 29.28 2dhi s HIS 53 CO -0.00 -1.32 0.00 -1.33 -2.47 0.00 0.00 174.74 169.62 2dhi n MET 54 N -2.97 0.00 0.00 2.88 2.81 -1.24 -2.58 117.12 116.03 2dhi n MET 54 Ca 0.07 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 56.01 2dhi n MET 54 Cb 0.59 -0.39 0.30 0.00 -0.71 0.00 0.00 33.22 33.01 2dhi n MET 54 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2dhi n PRO 55 N -2.46 0.49 0.00 0.03 -0.04 -1.26 -0.18 135.00 131.58 2dhi n PRO 55 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2dhi n PRO 55 Cb 0.00 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 2dhi n PRO 55 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2dhi n VAL 56 N -0.82 0.00 -0.03 0.52 0.31 -1.26 -4.87 118.33 112.17 2dhi n VAL 56 Ca 0.08 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.19 2dhi n VAL 56 Cb 0.03 -1.29 -0.13 0.00 -0.91 0.00 0.00 33.84 31.54 2dhi n VAL 56 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2dhi n ASP 57 N -2.89 2.04 -4.76 4.52 8.00 -1.22 -4.86 116.55 117.39 2dhi n ASP 57 Ca 0.00 0.27 -0.40 0.00 0.71 0.00 0.00 54.79 55.37 2dhi n ASP 57 Cb 0.44 -0.89 -0.05 0.00 -0.02 0.00 0.00 41.12 40.60 2dhi n ASP 57 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dhi n ILE 59 N 2.47 0.38 -4.20 0.00 -5.35 0.73 -4.27 119.36 109.11 2dhi n ILE 59 Ca -0.04 -0.23 -0.12 0.00 -0.27 0.00 0.00 62.75 62.08 2dhi n ILE 59 Cb 0.50 -0.85 -0.10 0.00 -1.74 0.00 0.00 39.64 37.45 2dhi n ILE 59 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2dhi s ASN 60 N -3.68 0.26 -0.19 7.28 2.47 -1.19 -5.03 114.94 114.85 2dhi s ASN 60 Ca -0.03 -1.41 -0.05 0.00 0.42 0.00 0.00 52.86 51.80 2dhi s ASN 60 Cb 0.02 0.40 0.07 0.00 -1.45 0.00 0.00 41.25 40.28 2dhi s ASN 60 CO 0.23 -0.86 0.11 -0.63 -3.72 0.00 0.00 177.10 172.22 2dhi s ILE 61 N -4.10 -0.11 -0.16 -5.21 1.01 -1.26 -1.85 121.20 109.52 2dhi s ILE 61 Ca 0.39 -0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.66 2dhi s ILE 61 Cb 0.06 -0.65 -0.05 0.00 0.01 0.00 0.00 42.46 41.84 2dhi s ILE 61 CO 0.13 -0.35 0.26 -0.13 0.00 0.00 0.00 174.94 174.85 2dhi s ARG 62 N 2.15 4.16 -0.00 2.79 0.52 -0.97 -4.95 118.95 122.65 2dhi s ARG 62 Ca 0.04 0.04 -0.08 0.00 -0.52 0.00 0.00 55.73 55.21 2dhi s ARG 62 Cb -0.16 -3.39 0.00 0.00 0.52 0.00 0.00 34.95 31.92 2dhi s ARG 62 CO -0.14 0.32 0.15 0.95 0.02 0.00 0.00 175.30 176.60 2dhi s THR 63 N 0.24 0.07 0.00 0.02 -4.23 -1.26 0.11 115.64 110.59 2dhi s THR 63 Ca 0.15 -0.62 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 2dhi s THR 63 Cb -0.13 -0.43 0.00 0.00 1.34 0.00 0.00 72.50 73.28 2dhi s THR 63 CO 0.03 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 2dhi n GLY 64 N 1.57 1.71 0.86 3.99 0.00 -1.03 -2.91 105.19 109.38 2dhi n GLY 64 Ca -0.22 -0.49 0.04 0.00 0.00 0.00 0.00 46.02 45.36 2dhi n GLY 64 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dhi n HIS 65 N 12.31 0.68 0.04 1.61 -0.00 -1.26 -3.88 115.22 124.72 2dhi n HIS 65 Ca 0.00 -0.26 -0.20 0.00 -0.00 0.00 0.00 57.72 57.25 2dhi n HIS 65 Cb 0.00 -0.15 -0.14 0.00 -0.00 0.00 0.00 29.99 29.69 2dhi n HIS 65 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 2dhi h GLU 66 N 1.75 0.30 -6.42 -0.41 5.08 -1.90 -3.47 114.58 109.50 2dhi h GLU 66 Ca 0.00 -0.51 -0.50 0.00 -1.00 0.00 0.00 59.36 57.36 2dhi h GLU 66 Cb 0.81 0.19 0.24 0.00 0.50 0.00 0.00 28.75 30.49 2dhi h GLU 66 CO 0.12 1.19 -1.51 0.00 -1.00 0.00 0.00 179.01 177.81 2dhi s ARG 68 N -2.89 0.75 -0.77 0.00 1.70 -1.26 -4.92 118.95 111.56 2dhi s ARG 68 Ca 0.49 0.73 0.00 0.00 -0.47 0.00 0.00 55.73 56.48 2dhi s ARG 68 Cb -0.09 0.36 0.00 0.00 -0.57 0.00 0.00 34.95 34.65 2dhi s ARG 68 CO 0.69 -0.12 0.00 -3.47 -1.08 0.00 0.00 175.30 171.32 2dhi n ASP 69 N 2.47 -3.20 -2.73 -2.89 2.03 -1.26 -5.01 116.55 105.95 2dhi n ASP 69 Ca -0.15 0.02 -0.14 0.00 0.52 0.00 0.00 54.79 55.04 2dhi n ASP 69 Cb 0.56 -2.34 -0.05 0.00 -0.72 0.00 0.00 41.12 38.57 2dhi n ASP 69 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2dhi n ILE 70 N -3.82 0.00 -3.69 5.18 -5.35 -1.26 -5.17 119.36 105.25 2dhi n ILE 70 Ca -0.10 -1.80 -0.13 0.00 -0.27 0.00 0.00 62.75 60.45 2dhi n ILE 70 Cb 0.54 0.95 -0.09 0.00 -1.74 0.00 0.00 39.64 39.30 2dhi n ILE 70 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2dhi s GLN 71 N -2.95 0.62 0.48 6.28 -2.07 -1.26 -5.15 119.66 115.61 2dhi s GLN 71 Ca 0.29 0.79 -0.22 0.00 -1.82 0.00 0.00 55.36 54.41 2dhi s GLN 71 Cb 0.01 0.27 -0.07 0.00 -1.09 0.00 0.00 33.01 32.13 2dhi s GLN 71 CO 0.21 -0.09 1.15 -1.25 -1.32 0.00 0.00 175.29 173.99 2dhi s PRO 72 N 0.47 3.64 0.14 9.60 0.04 -1.26 -4.98 135.00 142.63 2dhi s PRO 72 Ca -0.01 1.72 -0.31 0.00 0.04 0.00 0.00 61.00 62.44 2dhi s PRO 72 Cb -0.04 -2.28 -0.08 0.00 0.04 0.00 0.00 34.50 32.13 2dhi s PRO 72 CO -0.02 -0.64 1.35 -1.25 0.04 0.00 0.00 177.00 176.48 2dhi s PRO 73 N -2.88 4.35 0.03 0.56 0.04 -1.26 -4.92 135.00 130.93 2dhi s PRO 73 Ca 0.66 2.04 -0.39 0.00 0.04 0.00 0.00 61.00 63.35 2dhi s PRO 73 Cb -0.27 -3.24 -0.19 0.00 0.04 0.00 0.00 34.50 30.84 2dhi s PRO 73 CO 0.32 -0.36 1.20 -3.47 0.04 0.00 0.00 177.00 174.73 2dhi n ASP 74 N 3.53 0.76 0.00 6.66 -0.08 -1.26 -1.36 116.55 124.81 2dhi n ASP 74 Ca 0.10 1.14 0.00 0.00 -1.51 0.00 0.00 54.79 54.52 2dhi n ASP 74 Cb 0.43 -1.04 0.00 0.00 2.34 0.00 0.00 41.12 42.85 2dhi n ASP 74 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dhi n GLY 75 N 2.01 0.66 3.12 0.27 0.00 -1.26 -5.06 105.19 104.92 2dhi n GLY 75 Ca 0.19 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 2dhi n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dhi s LYS 76 N -1.33 0.27 0.00 1.61 -0.14 -0.46 -5.15 119.74 114.54 2dhi s LYS 76 Ca 0.00 0.34 0.00 0.00 -1.36 0.00 0.00 55.97 54.95 2dhi s LYS 76 Cb 0.00 0.12 0.00 0.00 -1.68 0.00 0.00 37.83 36.27 2dhi s LYS 76 CO 0.00 -0.04 0.00 -0.35 -0.76 0.00 0.00 175.35 174.20 2dhi n PRO 77 N 3.01 0.11 -0.11 -1.68 -0.04 -1.26 -4.63 135.00 130.40 2dhi n PRO 77 Ca -0.13 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.16 2dhi n PRO 77 Cb 0.58 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.94 2dhi n PRO 77 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2dhi n ARG 78 N -0.66 0.55 0.26 0.54 1.74 -1.26 -4.36 116.66 113.47 2dhi n ARG 78 Ca 0.00 0.14 0.12 0.00 -0.77 0.00 0.00 57.85 57.34 2dhi n ARG 78 Cb 0.00 -1.43 0.63 0.00 -1.02 0.00 0.00 32.46 30.64 2dhi n ARG 78 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2dhi h ASP 79 N -0.15 0.00 -0.38 0.55 3.32 -1.95 0.71 116.42 118.52 2dhi h ASP 79 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2dhi h ASP 79 Cb 1.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.28 2dhi h ASP 79 CO -0.13 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.39 2dhi s LEU 81 N -1.32 4.24 -0.07 0.00 1.43 0.25 -1.33 118.68 121.88 2dhi s LEU 81 Ca 0.30 0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.75 2dhi s LEU 81 Cb 0.20 -2.14 0.01 0.00 0.03 0.00 0.00 46.19 44.29 2dhi s LEU 81 CO 0.14 0.20 -0.15 -0.22 0.23 0.00 0.00 176.35 176.56 2dhi s LEU 82 N 0.16 1.75 0.07 1.79 2.96 -0.31 -2.47 118.68 122.62 2dhi s LEU 82 Ca 0.11 -0.35 0.05 0.00 -0.22 0.00 0.00 54.13 53.71 2dhi s LEU 82 Cb -0.12 -0.94 -0.03 0.00 0.50 0.00 0.00 46.19 45.61 2dhi s LEU 82 CO -0.00 0.07 -0.13 -1.58 -1.32 0.00 0.00 176.35 173.39 2dhi s GLN 83 N 0.55 0.78 -0.17 1.98 0.74 0.12 0.64 119.66 124.31 2dhi s GLN 83 Ca -0.14 -0.95 0.00 0.00 0.05 0.00 0.00 55.36 54.32 2dhi s GLN 83 Cb -0.16 -0.73 0.03 0.00 1.10 0.00 0.00 33.01 33.26 2dhi s GLN 83 CO 0.05 0.16 -0.11 0.42 -0.55 0.00 0.00 175.29 175.25 2dhi s ILE 84 N -1.41 1.49 -0.23 -2.34 -1.09 -0.80 -2.28 121.20 114.54 2dhi s ILE 84 Ca -0.02 -0.76 -0.23 0.00 -2.23 0.00 0.00 60.65 57.41 2dhi s ILE 84 Cb -0.09 -1.51 -0.01 0.00 -1.58 0.00 0.00 42.46 39.27 2dhi s ILE 84 CO 0.02 0.28 0.76 -0.69 -1.23 0.00 0.00 174.94 174.08 2dhi s VAL 85 N 1.49 4.90 0.73 2.92 1.01 -0.77 -2.41 120.40 128.28 2dhi s VAL 85 Ca 0.02 1.43 -0.04 0.00 0.00 0.00 0.00 61.98 63.39 2dhi s VAL 85 Cb -0.15 -4.05 0.11 0.00 0.00 0.00 0.00 36.38 32.29 2dhi s VAL 85 CO -0.09 -0.01 1.02 0.00 0.00 0.00 0.00 175.10 176.02 2dhi h ARG 87 N -0.63 -0.15 -0.19 0.00 3.08 -1.57 -3.37 114.38 111.55 2dhi h ARG 87 Ca -0.40 0.01 0.03 0.00 0.07 0.00 0.00 59.98 59.70 2dhi h ARG 87 Cb 1.27 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.29 2dhi h ARG 87 CO 0.45 -0.10 -0.52 -0.44 -1.07 0.00 0.00 179.97 178.28 2dhi h ASP 88 N -0.34 -1.69 0.00 7.04 3.32 -1.97 -3.45 116.42 119.33 2dhi h ASP 88 Ca -0.02 0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2dhi h ASP 88 Cb 0.12 0.67 0.00 0.00 0.22 0.00 0.00 39.33 40.34 2dhi h ASP 88 CO 0.03 -0.45 0.00 0.61 -1.72 0.00 0.00 179.24 177.71 2dhi n GLY 89 N -1.40 0.00 3.32 2.75 0.00 -1.26 -5.12 105.19 103.48 2dhi n GLY 89 Ca -0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 2dhi n GLY 89 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dhi s LYS 90 N 0.00 2.86 -0.17 1.61 2.20 -1.26 -4.95 119.74 120.04 2dhi s LYS 90 Ca 0.00 -1.53 -0.18 0.00 -0.36 0.00 0.00 55.97 53.90 2dhi s LYS 90 Cb 0.00 -4.11 -0.04 0.00 -1.51 0.00 0.00 37.83 32.18 2dhi s LYS 90 CO 0.00 -1.13 0.48 0.99 -0.36 0.00 0.00 175.35 175.32 2dhi s THR 91 N 1.56 5.16 -0.25 3.43 2.01 -1.26 -2.95 115.64 123.34 2dhi s THR 91 Ca 0.04 0.90 -0.07 0.00 0.31 0.00 0.00 61.69 62.87 2dhi s THR 91 Cb -0.26 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.42 2dhi s THR 91 CO 0.04 0.25 0.07 -0.63 -0.69 0.00 0.00 174.62 173.65 2dhi s ILE 92 N 1.19 4.23 -0.23 1.82 1.01 -1.01 -4.96 121.20 123.24 2dhi s ILE 92 Ca 0.24 -0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.50 2dhi s ILE 92 Cb -0.15 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 2dhi s ILE 92 CO 0.09 0.32 0.35 -0.44 0.00 0.00 0.00 174.94 175.26 2dhi s SER 93 N 1.60 6.33 0.22 3.58 0.01 -1.26 -1.90 113.70 122.27 2dhi s SER 93 Ca 0.06 0.38 0.06 0.00 1.31 0.00 0.00 55.95 57.76 2dhi s SER 93 Cb -0.15 -2.20 -0.05 0.00 0.21 0.00 0.00 66.02 63.83 2dhi s SER 93 CO 0.03 -0.08 -0.08 -0.76 0.41 0.00 0.00 173.24 172.76 2dhi s LEU 94 N 1.47 2.44 -0.08 2.44 1.43 0.21 -1.09 118.68 125.51 2dhi s LEU 94 Ca 0.16 -1.11 -0.04 0.00 -1.03 0.00 0.00 54.13 52.10 2dhi s LEU 94 Cb -0.15 -0.50 0.04 0.00 0.03 0.00 0.00 46.19 45.61 2dhi s LEU 94 CO 0.08 -0.33 0.18 0.00 0.23 0.00 0.00 176.35 176.51 2dhi s ALA 96 N 1.05 4.03 0.23 0.00 0.00 -0.45 -1.59 121.76 125.04 2dhi s ALA 96 Ca -0.08 -1.46 -0.00 0.00 0.00 0.00 0.00 51.96 50.42 2dhi s ALA 96 Cb -0.10 -1.97 0.25 0.00 0.00 0.00 0.00 23.12 21.31 2dhi s ALA 96 CO -0.06 -0.74 1.61 1.49 0.00 0.00 0.00 175.76 178.05 2dhi h GLU 97 N 0.12 0.50 -3.07 0.00 4.57 -1.88 -3.47 114.58 111.34 2dhi h GLU 97 Ca -0.41 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 57.51 2dhi h GLU 97 Cb 1.29 0.01 -0.11 0.00 -0.16 0.00 0.00 28.75 29.77 2dhi h GLU 97 CO 0.49 0.83 0.16 -1.12 -1.18 0.00 0.00 179.01 178.19 2dhi s SER 98 N -6.86 -0.47 0.32 1.04 0.01 -1.26 -5.01 113.70 101.47 2dhi s SER 98 Ca -0.07 -0.15 0.08 0.00 1.31 0.00 0.00 55.95 57.12 2dhi s SER 98 Cb 0.12 0.60 0.91 0.00 0.21 0.00 0.00 66.02 67.87 2dhi s SER 98 CO 0.81 -1.01 1.61 0.74 0.41 0.00 0.00 173.24 175.81 2dhi h THR 99 N 2.06 0.16 -0.62 1.44 2.02 -1.90 0.61 112.91 116.68 2dhi h THR 99 Ca -0.32 -0.04 0.06 0.00 0.77 0.00 0.00 66.41 66.88 2dhi h THR 99 Cb 1.29 0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 67.67 2dhi h THR 99 CO 0.37 0.02 0.31 -0.78 0.37 0.00 0.00 175.52 175.82 2dhi h ASP 100 N 0.12 0.44 0.12 4.18 3.58 -1.96 0.10 116.42 123.01 2dhi h ASP 100 Ca 0.66 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 58.14 2dhi h ASP 100 Cb 1.47 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.48 2dhi h ASP 100 CO -0.75 0.28 -0.06 0.44 -2.88 0.00 0.00 179.24 176.28 2dhi h ASP 101 N 0.58 -0.14 -0.28 2.28 3.32 -0.22 -1.29 116.42 120.67 2dhi h ASP 101 Ca 0.28 -0.20 0.05 0.00 0.02 0.00 0.00 57.03 57.18 2dhi h ASP 101 Cb 0.22 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 2dhi h ASP 101 CO -0.20 0.12 0.00 0.00 -1.72 0.00 0.00 179.24 177.44 2dhi h LEU 103 N 0.09 -0.45 -0.82 0.00 3.38 -0.78 0.15 115.31 116.88 2dhi h LEU 103 Ca 0.13 0.04 0.20 0.00 0.09 0.00 0.00 57.88 58.34 2dhi h LEU 103 Cb 0.17 0.16 -0.13 0.00 0.09 0.00 0.00 40.66 40.94 2dhi h LEU 103 CO -0.22 -0.26 0.14 0.00 0.09 0.00 0.00 178.44 178.19 2dhi h ALA 104 N 0.39 1.04 -0.32 1.53 0.00 -0.94 0.24 119.26 121.21 2dhi h ALA 104 Ca -0.00 0.22 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 2dhi h ALA 104 Cb 0.36 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2dhi h ALA 104 CO -0.04 -0.43 -0.32 -1.49 0.00 0.00 0.00 179.25 176.98 2dhi h TRP 105 N 0.18 0.93 -0.29 0.00 4.06 -1.02 -2.90 115.95 116.92 2dhi h TRP 105 Ca 0.48 -0.28 0.02 0.00 2.06 0.00 0.00 58.89 61.17 2dhi h TRP 105 Cb 0.91 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 28.85 2dhi h TRP 105 CO -0.33 1.05 0.14 -0.22 -3.56 0.00 0.00 178.44 175.52 2dhi h LYS 106 N 0.54 0.28 -0.54 0.49 3.64 0.12 0.77 116.57 121.88 2dhi h LYS 106 Ca 0.05 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 2dhi h LYS 106 Cb 0.90 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.60 2dhi h LYS 106 CO 0.08 0.19 0.26 0.74 -2.27 0.00 0.00 179.45 178.44 2dhi h PHE 107 N 0.29 0.47 -0.22 1.91 0.04 -0.66 0.27 116.94 119.04 2dhi h PHE 107 Ca 0.12 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.88 2dhi h PHE 107 Cb 0.04 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 2dhi h PHE 107 CO -0.10 0.21 0.02 1.15 -0.60 0.00 0.00 178.31 178.99 2dhi h THR 108 N 0.49 1.24 -0.59 -1.55 2.02 -1.25 -2.38 112.91 110.89 2dhi h THR 108 Ca 0.25 -0.81 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 2dhi h THR 108 Cb 0.19 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 2dhi h THR 108 CO -0.19 0.25 0.24 -0.07 0.37 0.00 0.00 175.52 176.12 2dhi h LEU 109 N 0.15 0.79 -1.47 2.58 3.38 -0.46 0.15 115.31 120.43 2dhi h LEU 109 Ca 0.06 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2dhi h LEU 109 Cb 0.36 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2dhi h LEU 109 CO 0.01 0.71 -0.26 1.56 0.09 0.00 0.00 178.44 180.54 2dhi h GLN 110 N 0.85 0.00 0.00 1.13 1.08 -0.32 -2.20 115.11 115.65 2dhi h GLN 110 Ca 0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 2dhi h GLN 110 Cb 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2dhi h GLN 110 CO -0.02 0.26 -0.99 -3.47 -0.95 0.00 0.00 178.83 173.66 2dhi n ASP 111 N -3.89 0.62 0.10 1.46 2.03 -0.72 -3.97 116.55 112.19 2dhi n ASP 111 Ca -0.02 -0.26 0.04 0.00 0.52 0.00 0.00 54.79 55.07 2dhi n ASP 111 Cb 0.34 0.77 -0.01 0.00 -0.72 0.00 0.00 41.12 41.51 2dhi n ASP 111 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2dhi h SER 112 N 0.00 0.00 1.11 1.67 4.64 -0.19 -2.83 113.55 117.95 2dhi h SER 112 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 2dhi h SER 112 Cb 0.70 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.76 2dhi h SER 112 CO 0.00 0.42 -0.89 0.08 -0.87 0.00 0.00 176.83 175.57 2dhi h ARG 113 N 0.00 0.00 0.00 4.77 0.11 -1.55 -3.37 114.38 114.34 2dhi h ARG 113 Ca -0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.02 2dhi h ARG 113 Cb 1.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.46 2dhi h ARG 113 CO 0.04 0.86 -0.14 1.79 0.10 0.00 0.00 179.97 182.63 2dhi h THR 114 N 0.00 0.00 -2.05 0.08 1.35 -1.69 -3.41 112.91 107.19 2dhi h THR 114 Ca -0.01 -0.78 -0.68 0.00 -0.55 0.00 0.00 66.41 64.38 2dhi h THR 114 Cb 1.68 0.00 -0.16 0.00 -1.73 0.00 0.00 68.15 67.94 2dhi h THR 114 CO 0.11 0.00 1.11 -0.44 -0.25 0.00 0.00 175.52 176.05 2dhi s SER 115 N -5.08 6.69 0.00 5.36 0.01 -1.07 -4.74 113.70 114.87 2dhi s SER 115 Ca -0.04 -2.12 0.00 0.00 1.31 0.00 0.00 55.95 55.11 2dhi s SER 115 Cb 0.01 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.80 2dhi s SER 115 CO 0.06 -1.10 0.00 0.61 0.41 0.00 0.00 173.24 173.22 2dhi n GLY 116 N 5.51 0.51 3.71 3.44 0.00 -1.26 -4.71 105.19 112.39 2dhi n GLY 116 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 2dhi n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dhi s PRO 117 N 0.00 4.32 0.27 1.61 0.04 -1.26 -4.93 135.00 135.05 2dhi s PRO 117 Ca 0.00 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 62.87 2dhi s PRO 117 Cb 0.00 -3.32 0.06 0.00 0.04 0.00 0.00 34.50 31.28 2dhi s PRO 117 CO 0.00 -0.45 0.90 -1.54 0.04 0.00 0.00 177.00 175.96 2dhi s SER 118 N 1.25 -0.04 0.20 6.66 1.04 -1.26 -5.18 113.70 116.37 2dhi s SER 118 Ca 0.64 -0.82 0.04 0.00 0.48 0.00 0.00 55.95 56.29 2dhi s SER 118 Cb -0.35 0.66 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 2dhi s SER 118 CO 0.30 -1.29 0.28 -0.94 0.98 0.00 0.00 173.24 172.57 2dhi s SER 119 N -3.17 6.12 0.00 7.02 1.04 -1.26 -5.27 113.70 118.18 2dhi s SER 119 Ca 0.17 0.04 0.12 0.00 0.48 0.00 0.00 55.95 56.76 2dhi s SER 119 Cb -0.04 -1.76 0.10 0.00 0.10 0.00 0.00 66.02 64.42 2dhi s SER 119 CO 0.07 -0.01 0.88 0.61 0.98 0.00 0.00 173.24 175.78