#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhi h SER 2 N 0.00 -0.74 -4.32 1.61 0.02 -2.01 -3.36 113.55 104.75 2dhi h SER 2 Ca 0.00 0.07 -0.64 0.00 -0.84 0.00 0.00 61.79 60.38 2dhi h SER 2 Cb 0.00 0.26 -0.41 0.00 0.14 0.00 0.00 62.40 62.40 2dhi h SER 2 CO 0.00 -0.38 -0.62 -0.44 -1.14 0.00 0.00 176.83 174.25 2dhi s SER 3 N -4.75 4.39 -0.72 3.07 0.01 -1.26 -4.89 113.70 109.56 2dhi s SER 3 Ca -0.16 -2.95 -0.11 0.00 1.31 0.00 0.00 55.95 54.04 2dhi s SER 3 Cb 0.07 -1.65 0.02 0.00 0.21 0.00 0.00 66.02 64.66 2dhi s SER 3 CO 0.64 -0.25 0.46 0.61 0.41 0.00 0.00 173.24 175.11 2dhi n GLY 4 N 3.20 -0.80 2.91 3.44 0.00 -1.26 -4.93 105.19 107.76 2dhi n GLY 4 Ca 0.05 0.35 -0.27 0.00 0.00 0.00 0.00 46.02 46.15 2dhi n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dhi s SER 5 N -3.24 2.20 0.29 1.61 0.01 -1.26 -5.02 113.70 108.28 2dhi s SER 5 Ca 0.16 -0.31 0.02 0.00 1.31 0.00 0.00 55.95 57.13 2dhi s SER 5 Cb -0.09 -0.86 0.61 0.00 0.21 0.00 0.00 66.02 65.89 2dhi s SER 5 CO 0.67 -0.11 1.81 0.28 0.41 0.00 0.00 173.24 176.29 2dhi h SER 6 N 8.15 0.83 0.00 2.44 0.02 -1.95 -3.32 113.55 119.72 2dhi h SER 6 Ca -0.30 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2dhi h SER 6 Cb 1.13 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2dhi h SER 6 CO 0.41 0.39 0.00 0.61 -1.14 0.00 0.00 176.83 177.10 2dhi n GLY 7 N -1.34 1.85 3.70 -3.77 0.00 -1.26 -4.82 105.19 99.55 2dhi n GLY 7 Ca 0.20 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 2dhi n GLY 7 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dhi s PHE 8 N 0.00 3.43 0.11 1.61 0.08 -1.26 -2.67 117.98 119.29 2dhi s PHE 8 Ca 0.00 0.70 -0.34 0.00 0.12 0.00 0.00 56.93 57.42 2dhi s PHE 8 Cb 0.00 -2.50 -0.13 0.00 -0.57 0.00 0.00 43.02 39.82 2dhi s PHE 8 CO 0.00 0.09 1.54 0.28 -0.10 0.00 0.00 175.22 177.03 2dhi h VAL 9 N 4.87 0.00 -2.85 -0.44 2.07 0.10 -3.43 116.25 116.57 2dhi h VAL 9 Ca -0.38 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 66.97 2dhi h VAL 9 Cb 1.17 0.00 -0.29 0.00 -1.52 0.00 0.00 31.29 30.65 2dhi h VAL 9 CO 0.74 0.00 -0.42 -0.75 0.02 0.00 0.00 177.57 177.16 2dhi s LYS 10 N -5.67 0.27 -0.08 1.57 2.20 -1.25 -5.01 119.74 111.77 2dhi s LYS 10 Ca -0.15 0.66 0.04 0.00 -0.36 0.00 0.00 55.97 56.16 2dhi s LYS 10 Cb 0.07 -0.06 -0.01 0.00 -1.51 0.00 0.00 37.83 36.32 2dhi s LYS 10 CO 0.60 -0.17 -0.21 -1.54 -0.36 0.00 0.00 175.35 173.66 2dhi s SER 11 N 1.45 3.36 0.23 1.43 1.04 -1.26 -2.98 113.70 116.98 2dhi s SER 11 Ca -0.08 -0.46 -0.21 0.00 0.48 0.00 0.00 55.95 55.68 2dhi s SER 11 Cb -0.10 -1.17 0.07 0.00 0.10 0.00 0.00 66.02 64.92 2dhi s SER 11 CO -0.10 0.21 0.96 -0.83 0.98 0.00 0.00 173.24 174.47 2dhi s GLY 12 N 0.03 0.14 -0.01 7.32 0.00 -1.19 -5.06 107.32 108.56 2dhi s GLY 12 Ca -0.08 -0.40 -0.07 0.00 0.00 0.00 0.00 44.72 44.17 2dhi s GLY 12 CO 0.05 1.49 0.25 -0.98 0.00 0.00 0.00 173.10 173.92 2dhi s TRP 13 N -2.33 3.58 -0.08 1.90 0.52 -1.26 -2.65 118.94 118.62 2dhi s TRP 13 Ca 0.19 0.57 -0.23 0.00 0.02 0.00 0.00 56.10 56.65 2dhi s TRP 13 Cb -0.03 -1.98 0.05 0.00 -1.15 0.00 0.00 33.47 30.36 2dhi s TRP 13 CO 0.07 0.63 0.53 -0.51 0.02 0.00 0.00 176.95 177.69 2dhi s LEU 14 N -1.66 -0.05 -0.22 2.99 1.43 -1.01 -4.75 118.68 115.40 2dhi s LEU 14 Ca 0.26 0.62 -0.20 0.00 -1.03 0.00 0.00 54.13 53.78 2dhi s LEU 14 Cb -0.13 1.98 -0.02 0.00 0.03 0.00 0.00 46.19 48.05 2dhi s LEU 14 CO 0.15 -0.46 0.62 -0.76 0.23 0.00 0.00 176.35 176.13 2dhi s LEU 15 N -0.87 4.11 -0.17 1.79 1.43 -0.85 -1.23 118.68 122.89 2dhi s LEU 15 Ca -0.09 0.77 -0.03 0.00 -1.03 0.00 0.00 54.13 53.75 2dhi s LEU 15 Cb -0.03 -2.86 -0.02 0.00 0.03 0.00 0.00 46.19 43.31 2dhi s LEU 15 CO 0.06 -0.30 -0.06 -0.60 0.23 0.00 0.00 176.35 175.67 2dhi s ARG 16 N 2.13 3.49 0.04 1.70 3.52 0.06 -0.58 118.95 129.31 2dhi s ARG 16 Ca 0.27 -0.60 -0.30 0.00 -0.13 0.00 0.00 55.73 54.97 2dhi s ARG 16 Cb -0.16 -2.87 -0.05 0.00 -1.56 0.00 0.00 34.95 30.32 2dhi s ARG 16 CO 0.10 0.08 1.16 -1.14 -0.81 0.00 0.00 175.30 174.69 2dhi s GLN 17 N 0.75 4.45 0.38 5.12 0.74 0.49 -2.25 119.66 129.34 2dhi s GLN 17 Ca -0.03 1.70 -0.02 0.00 0.05 0.00 0.00 55.36 57.07 2dhi s GLN 17 Cb -0.15 -3.39 -0.04 0.00 1.10 0.00 0.00 33.01 30.54 2dhi s GLN 17 CO 0.02 -0.24 0.63 -1.54 -0.55 0.00 0.00 175.29 173.60 2dhi s SER 18 N 1.09 6.30 0.00 6.67 1.04 -1.01 -4.58 113.70 123.22 2dhi s SER 18 Ca 0.57 0.64 0.23 0.00 0.48 0.00 0.00 55.95 57.87 2dhi s SER 18 Cb -0.28 -2.11 0.44 0.00 0.10 0.00 0.00 66.02 64.17 2dhi s SER 18 CO 0.28 -0.37 1.40 0.35 0.98 0.00 0.00 173.24 175.88 2dhi n THR 19 N -1.84 0.57 -0.00 2.02 -2.24 -1.26 -2.96 114.28 108.57 2dhi n THR 19 Ca -0.03 -0.78 -0.00 0.00 -2.27 0.00 0.00 64.05 60.97 2dhi n THR 19 Cb 0.56 0.92 -0.01 0.00 -2.10 0.00 0.00 70.33 69.70 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 1.48 0.05 0.52 2.28 5.41 -1.26 -4.69 119.36 123.14 2dhi n ILE 20 Ca 0.20 -0.04 0.06 0.00 1.00 0.00 0.00 62.75 63.96 2dhi n ILE 20 Cb 0.60 -0.55 -0.01 0.00 -0.71 0.00 0.00 39.64 38.97 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 -1.89 1.17 -4.35 1.39 4.77 -1.26 -5.00 117.00 111.83 2dhi n LEU 21 Ca -0.01 -0.72 -0.35 0.00 -0.03 0.00 0.00 56.01 54.90 2dhi n LEU 21 Cb 0.39 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 2dhi n LEU 21 CO 0.02 0.24 -0.31 0.29 -1.33 0.00 0.00 177.39 176.30 2dhi n LYS 22 N -0.42 -1.30 -3.82 3.23 4.76 -1.15 -4.91 118.16 114.56 2dhi n LYS 22 Ca 0.04 0.16 -0.10 0.00 -2.87 0.00 0.00 58.31 55.55 2dhi n LYS 22 Cb 0.23 -4.20 -0.06 0.00 -1.84 0.00 0.00 35.03 29.17 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 -7.22 1.07 -0.05 1.97 1.70 -1.26 -4.96 118.95 110.20 2dhi s ARG 23 Ca 0.35 -0.95 -0.26 0.00 -0.47 0.00 0.00 55.73 54.40 2dhi s ARG 23 Cb -0.20 0.41 -0.03 0.00 -0.57 0.00 0.00 34.95 34.56 2dhi s ARG 23 CO 0.99 -0.40 0.83 -1.58 -1.08 0.00 0.00 175.30 174.07 2dhi s TRP 24 N -3.88 3.59 -0.03 5.89 0.52 -1.26 -2.41 118.94 121.35 2dhi s TRP 24 Ca 0.09 1.43 0.04 0.00 0.02 0.00 0.00 56.10 57.68 2dhi s TRP 24 Cb 0.03 -2.96 -0.00 0.00 -1.15 0.00 0.00 33.47 29.39 2dhi s TRP 24 CO -0.07 0.00 -0.16 -1.59 0.02 0.00 0.00 176.95 175.15 2dhi s LYS 25 N 1.07 1.60 0.17 4.98 -2.85 -0.95 -4.91 119.74 118.85 2dhi s LYS 25 Ca 0.43 -0.57 -0.30 0.00 -1.00 0.00 0.00 55.97 54.52 2dhi s LYS 25 Cb -0.19 -1.43 -0.09 0.00 -2.06 0.00 0.00 37.83 34.07 2dhi s LYS 25 CO 0.21 0.26 1.35 0.21 0.10 0.00 0.00 175.35 177.48 2dhi s LYS 26 N -0.04 4.35 0.15 1.78 2.20 -1.26 -0.76 119.74 126.15 2dhi s LYS 26 Ca -0.01 2.09 -0.01 0.00 -0.36 0.00 0.00 55.97 57.67 2dhi s LYS 26 Cb -0.10 -3.21 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 2dhi s LYS 26 CO 0.01 -0.34 0.06 -0.80 -0.36 0.00 0.00 175.35 173.92 2dhi s ASN 27 N 0.64 0.39 -0.33 1.43 0.02 -0.37 -4.88 114.94 111.84 2dhi s ASN 27 Ca 0.60 -1.23 -0.05 0.00 -1.02 0.00 0.00 52.86 51.16 2dhi s ASN 27 Cb -0.37 0.29 0.04 0.00 0.02 0.00 0.00 41.25 41.23 2dhi s ASN 27 CO 0.36 -0.73 0.07 0.86 0.02 0.00 0.00 177.10 177.68 2dhi s TRP 28 N -4.02 3.26 0.20 2.20 -0.00 -1.03 -2.41 118.94 117.14 2dhi s TRP 28 Ca 0.26 -1.57 0.02 0.00 -0.00 0.00 0.00 56.10 54.82 2dhi s TRP 28 Cb 0.07 -2.22 -0.04 0.00 -0.00 0.00 0.00 33.47 31.29 2dhi s TRP 28 CO 0.04 -0.75 0.35 -0.06 -0.00 0.00 0.00 176.95 176.52 2dhi s PHE 29 N 1.35 3.48 -0.29 5.86 0.40 -1.08 0.10 117.98 127.80 2dhi s PHE 29 Ca -0.03 0.17 -0.04 0.00 -0.60 0.00 0.00 56.93 56.44 2dhi s PHE 29 Cb -0.20 -1.72 0.17 0.00 0.51 0.00 0.00 43.02 41.78 2dhi s PHE 29 CO 0.02 0.43 0.58 -0.51 0.70 0.00 0.00 175.22 176.44 2dhi s ASP 30 N -3.42 -1.12 0.08 1.36 1.01 -0.69 -3.19 116.67 110.72 2dhi s ASP 30 Ca 0.36 0.99 -0.20 0.00 0.71 0.00 0.00 52.55 54.40 2dhi s ASP 30 Cb -0.11 2.06 -0.07 0.00 1.01 0.00 0.00 42.92 45.82 2dhi s ASP 30 CO 0.29 -0.25 0.61 -0.22 0.21 0.00 0.00 175.17 175.81 2dhi s LEU 31 N 2.83 4.53 0.29 1.23 2.96 -1.16 -2.41 118.68 126.96 2dhi s LEU 31 Ca 0.13 1.32 -0.04 0.00 -0.22 0.00 0.00 54.13 55.31 2dhi s LEU 31 Cb -0.14 -2.97 -0.05 0.00 0.50 0.00 0.00 46.19 43.53 2dhi s LEU 31 CO -0.20 0.25 0.55 0.26 -1.32 0.00 0.00 176.35 175.90 2dhi s TRP 32 N -1.06 3.48 0.49 5.38 0.52 0.77 0.14 118.94 128.66 2dhi s TRP 32 Ca 0.30 0.62 0.21 0.00 0.02 0.00 0.00 56.10 57.25 2dhi s TRP 32 Cb -0.20 -2.09 1.25 0.00 -1.15 0.00 0.00 33.47 31.28 2dhi s TRP 32 CO 0.20 0.17 1.98 1.03 0.02 0.00 0.00 176.95 180.35 2dhi h SER 33 N 1.62 0.15 1.06 2.95 0.87 -1.83 0.31 113.55 118.68 2dhi h SER 33 Ca -0.48 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.03 2dhi h SER 33 Cb 1.19 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 2dhi h SER 33 CO 0.66 0.08 -0.29 -0.78 -0.53 0.00 0.00 176.83 175.98 2dhi h ASP 34 N 0.17 0.00 0.00 6.23 3.58 -1.93 -3.47 116.42 120.99 2dhi h ASP 34 Ca 0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.73 2dhi h ASP 34 Cb 0.88 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.93 2dhi h ASP 34 CO -0.04 0.29 0.00 0.61 -2.88 0.00 0.00 179.24 177.21 2dhi n GLY 35 N 0.39 1.15 3.63 -0.78 0.00 0.11 -5.03 105.19 104.65 2dhi n GLY 35 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 1.60 -5.08 1.61 8.25 -1.26 -4.16 115.22 116.18 2dhi n HIS 36 Ca 0.00 0.62 -0.32 0.00 -0.26 0.00 0.00 57.72 57.76 2dhi n HIS 36 Cb 0.00 -2.30 -0.16 0.00 1.12 0.00 0.00 29.99 28.65 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 -0.24 2.29 -0.03 2.41 2.96 -0.24 -0.16 118.68 125.66 2dhi s LEU 37 Ca 0.58 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 2dhi s LEU 37 Cb -0.63 -1.47 0.03 0.00 0.50 0.00 0.00 46.19 44.62 2dhi s LEU 37 CO 0.60 0.16 0.01 -0.63 -1.32 0.00 0.00 176.35 175.17 2dhi s ILE 38 N 0.34 0.12 0.22 6.68 1.01 -1.01 -1.48 121.20 127.08 2dhi s ILE 38 Ca -0.16 0.12 0.10 0.00 0.00 0.00 0.00 60.65 60.70 2dhi s ILE 38 Cb -0.17 -0.23 -0.04 0.00 0.01 0.00 0.00 42.46 42.02 2dhi s ILE 38 CO 0.08 0.13 -0.13 -0.72 0.00 0.00 0.00 174.94 174.31 2dhi s TYR 39 N 1.05 2.52 0.40 3.97 1.13 -1.13 -1.70 117.35 123.60 2dhi s TYR 39 Ca -0.09 -0.27 0.05 0.00 -1.41 0.00 0.00 57.07 55.34 2dhi s TYR 39 Cb -0.13 -1.19 -0.06 0.00 -1.10 0.00 0.00 41.96 39.48 2dhi s TYR 39 CO -0.02 0.57 0.04 0.71 -2.51 0.00 0.00 175.55 174.33 2dhi s TYR 40 N -1.95 2.15 0.16 -3.49 1.51 0.11 -1.73 117.35 114.12 2dhi s TYR 40 Ca 0.26 -0.88 0.00 0.00 -1.01 0.00 0.00 57.07 55.44 2dhi s TYR 40 Cb -0.08 -1.53 0.00 0.00 -0.11 0.00 0.00 41.96 40.25 2dhi s TYR 40 CO 0.15 0.19 1.38 0.22 -1.11 0.00 0.00 175.55 176.38 2dhi h ASP 41 N 1.80 0.37 -5.28 2.29 1.82 -1.76 -2.72 116.42 112.94 2dhi h ASP 41 Ca -0.42 -0.28 -0.15 0.00 -0.39 0.00 0.00 57.03 55.78 2dhi h ASP 41 Cb 1.26 -0.11 -0.04 0.00 0.68 0.00 0.00 39.33 41.11 2dhi h ASP 41 CO 0.74 1.06 0.03 1.51 -1.61 0.00 0.00 179.24 180.96 2dhi s ASP 42 N -6.98 0.48 0.42 2.28 1.47 -1.26 -4.63 116.67 108.46 2dhi s ASP 42 Ca -0.04 -1.31 0.12 0.00 1.18 0.00 0.00 52.55 52.50 2dhi s ASP 42 Cb 0.10 0.75 0.98 0.00 -0.34 0.00 0.00 42.92 44.42 2dhi s ASP 42 CO 0.84 -1.48 1.98 0.06 0.68 0.00 0.00 175.17 177.25 2dhi h GLN 43 N 2.06 0.45 -0.01 2.11 -0.00 -1.96 0.37 115.11 118.12 2dhi h GLN 43 Ca -0.30 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.33 2dhi h GLN 43 Cb 1.24 -0.10 -0.00 0.00 -0.00 0.00 0.00 27.48 28.62 2dhi h GLN 43 CO 0.39 0.29 0.16 1.79 -0.00 0.00 0.00 178.83 181.46 2dhi h THR 44 N 0.46 0.02 -6.83 1.86 1.35 -2.00 -3.45 112.91 104.32 2dhi h THR 44 Ca 0.28 0.00 -0.57 0.00 -0.55 0.00 0.00 66.41 65.57 2dhi h THR 44 Cb 0.48 0.84 -0.24 0.00 -1.73 0.00 0.00 68.15 67.50 2dhi h THR 44 CO -0.08 0.00 -0.85 0.54 -0.25 0.00 0.00 175.52 174.88 2dhi n ARG 45 N -3.02 -2.75 -0.01 4.72 1.74 0.12 -4.80 116.66 112.67 2dhi n ARG 45 Ca -0.02 0.33 0.10 0.00 -0.77 0.00 0.00 57.85 57.49 2dhi n ARG 45 Cb 0.22 -5.03 -0.15 0.00 -1.02 0.00 0.00 32.46 26.48 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 -4.33 0.42 -3.71 5.56 6.02 -1.26 -4.67 117.38 115.41 2dhi n GLN 46 Ca 0.08 -0.11 -0.28 0.00 -0.01 0.00 0.00 57.00 56.68 2dhi n GLN 46 Cb 0.48 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.13 2dhi n GLN 46 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2dhi n SER 47 N -1.92 2.23 -4.70 1.08 2.88 -1.26 -5.07 113.62 106.85 2dhi n SER 47 Ca -0.01 -3.04 -0.57 0.00 -1.33 0.00 0.00 58.87 53.93 2dhi n SER 47 Cb 0.46 -0.70 -0.07 0.00 -0.75 0.00 0.00 64.21 63.15 2dhi n SER 47 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2dhi n ILE 48 N 2.00 0.29 0.10 2.46 5.41 -1.26 -2.25 119.36 126.11 2dhi n ILE 48 Ca 0.23 -0.05 -0.10 0.00 1.00 0.00 0.00 62.75 63.83 2dhi n ILE 48 Cb 0.39 -1.21 -0.07 0.00 -0.71 0.00 0.00 39.64 38.05 2dhi n ILE 48 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2dhi h GLU 49 N 7.06 -0.32 -1.59 0.38 4.39 -1.60 -3.46 114.58 119.43 2dhi h GLU 49 Ca -0.47 0.02 0.24 0.00 0.34 0.00 0.00 59.36 59.49 2dhi h GLU 49 Cb 1.32 0.07 -0.18 0.00 -0.10 0.00 0.00 28.75 29.86 2dhi h GLU 49 CO 0.95 0.02 0.77 -0.51 -1.16 0.00 0.00 179.01 179.07 2dhi s ASP 50 N -5.27 -0.17 -0.03 1.42 1.01 -1.22 -5.06 116.67 107.36 2dhi s ASP 50 Ca -0.11 -0.01 0.06 0.00 0.71 0.00 0.00 52.55 53.20 2dhi s ASP 50 Cb 0.01 0.18 -0.01 0.00 1.01 0.00 0.00 42.92 44.10 2dhi s ASP 50 CO 0.41 -0.29 -0.21 -0.75 0.21 0.00 0.00 175.17 174.54 2dhi s LYS 51 N -2.52 1.91 -0.03 8.23 2.20 -1.26 -2.82 119.74 125.45 2dhi s LYS 51 Ca 0.09 -0.76 -0.21 0.00 -0.36 0.00 0.00 55.97 54.73 2dhi s LYS 51 Cb -0.01 -1.75 0.04 0.00 -1.51 0.00 0.00 37.83 34.60 2dhi s LYS 51 CO -0.05 0.40 0.44 0.08 -0.36 0.00 0.00 175.35 175.86 2dhi s VAL 52 N -0.32 0.04 0.47 4.02 1.01 -0.55 -5.04 120.40 120.03 2dhi s VAL 52 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.71 2dhi s VAL 52 Cb -0.10 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.53 2dhi s VAL 52 CO 0.01 -0.17 0.70 -2.28 0.00 0.00 0.00 175.10 173.36 2dhi s HIS 53 N -1.29 3.14 -0.00 5.22 2.46 -1.26 -1.08 115.29 122.47 2dhi s HIS 53 Ca -0.13 0.18 -0.00 0.00 0.47 0.00 0.00 55.06 55.58 2dhi s HIS 53 Cb -0.03 -2.42 -0.00 0.00 -0.13 0.00 0.00 32.58 30.00 2dhi s HIS 53 CO 0.06 -0.48 -0.01 -1.33 -2.47 0.00 0.00 174.74 170.52 2dhi n MET 54 N -2.14 0.01 0.00 2.88 2.81 -1.26 -2.34 117.12 117.08 2dhi n MET 54 Ca 0.03 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.97 2dhi n MET 54 Cb 0.58 -0.49 0.29 0.00 -0.71 0.00 0.00 33.22 32.88 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 -2.54 0.49 0.00 0.03 -0.04 -1.26 -0.80 135.00 130.88 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 0.01 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 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 -0.81 0.00 -0.10 0.52 0.31 -1.26 -4.89 118.33 112.10 2dhi n VAL 56 Ca 0.07 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.20 2dhi n VAL 56 Cb 0.03 -1.33 -0.12 0.00 -0.91 0.00 0.00 33.84 31.51 2dhi n VAL 56 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2dhi h ASP 57 N 0.00 0.00 -3.00 4.52 1.82 -1.57 -3.44 116.42 114.75 2dhi h ASP 57 Ca 0.00 -0.63 -0.57 0.00 -0.39 0.00 0.00 57.03 55.44 2dhi h ASP 57 Cb 0.84 -0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.81 2dhi h ASP 57 CO 0.00 1.37 0.94 0.00 -1.61 0.00 0.00 179.24 179.93 2dhi n ILE 59 N 5.74 1.40 -4.13 0.00 -5.35 0.76 -4.40 119.36 113.39 2dhi n ILE 59 Ca 0.14 -0.85 -0.11 0.00 -0.27 0.00 0.00 62.75 61.66 2dhi n ILE 59 Cb 0.46 -0.49 -0.09 0.00 -1.74 0.00 0.00 39.64 37.78 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 -5.52 0.11 -0.05 7.28 2.47 -1.18 -5.04 114.94 113.01 2dhi s ASN 60 Ca -0.10 -1.21 -0.02 0.00 0.42 0.00 0.00 52.86 51.94 2dhi s ASN 60 Cb 0.06 0.42 0.04 0.00 -1.45 0.00 0.00 41.25 40.32 2dhi s ASN 60 CO 0.83 -0.90 0.09 -0.63 -3.72 0.00 0.00 177.10 172.77 2dhi s ILE 61 N -4.10 -0.10 -0.03 -5.21 1.01 -1.26 -1.69 121.20 109.82 2dhi s ILE 61 Ca 0.31 0.27 0.02 0.00 0.00 0.00 0.00 60.65 61.25 2dhi s ILE 61 Cb 0.05 -0.18 -0.03 0.00 0.01 0.00 0.00 42.46 42.31 2dhi s ILE 61 CO 0.09 0.11 -0.06 -0.13 0.00 0.00 0.00 174.94 174.95 2dhi s ARG 62 N 1.51 2.65 -0.09 2.79 0.52 -0.58 -4.97 118.95 120.78 2dhi s ARG 62 Ca -0.04 -0.64 -0.06 0.00 -0.52 0.00 0.00 55.73 54.47 2dhi s ARG 62 Cb -0.12 -2.55 0.04 0.00 0.52 0.00 0.00 34.95 32.83 2dhi s ARG 62 CO -0.04 0.63 0.23 0.95 0.02 0.00 0.00 175.30 177.09 2dhi s THR 63 N -0.92 -0.03 0.00 0.02 -4.23 -1.26 -0.24 115.64 108.99 2dhi s THR 63 Ca 0.15 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.76 2dhi s THR 63 Cb -0.11 -0.35 0.00 0.00 1.34 0.00 0.00 72.50 73.38 2dhi s THR 63 CO 0.05 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 2dhi n GLY 64 N 3.77 0.47 1.31 3.99 0.00 -1.12 -3.75 105.19 109.86 2dhi n GLY 64 Ca -0.21 -0.91 -0.06 0.00 0.00 0.00 0.00 46.02 44.84 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 9.06 0.83 -0.10 1.61 -0.00 -1.26 -3.74 115.22 121.61 2dhi n HIS 65 Ca 0.00 -0.84 -0.13 0.00 -0.00 0.00 0.00 57.72 56.76 2dhi n HIS 65 Cb 0.00 -0.43 -0.15 0.00 -0.00 0.00 0.00 29.99 29.41 2dhi n HIS 65 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2dhi n GLU 66 N 0.06 0.68 -0.53 -0.41 1.02 -1.25 -4.99 120.64 115.21 2dhi n GLU 66 Ca 0.16 0.06 -0.29 0.00 -0.02 0.00 0.00 57.16 57.06 2dhi n GLU 66 Cb 0.81 -1.54 0.22 0.00 -0.02 0.00 0.00 31.44 30.91 2dhi n GLU 66 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dhi s ARG 68 N -3.94 0.81 -1.62 0.00 6.06 -1.26 -4.89 118.95 114.11 2dhi s ARG 68 Ca 0.60 -0.08 0.00 0.00 -2.50 0.00 0.00 55.73 53.75 2dhi s ARG 68 Cb -0.16 0.37 0.00 0.00 0.06 0.00 0.00 34.95 35.22 2dhi s ARG 68 CO 0.62 -0.24 0.00 -0.25 -2.50 0.00 0.00 175.30 172.93 2dhi n ASP 69 N 1.09 -5.01 -3.86 -2.12 9.92 -1.26 -4.97 116.55 110.35 2dhi n ASP 69 Ca -0.21 0.20 -0.13 0.00 -0.53 0.00 0.00 54.79 54.12 2dhi n ASP 69 Cb 0.57 -4.05 -0.08 0.00 -0.64 0.00 0.00 41.12 36.92 2dhi n ASP 69 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 2dhi s ILE 70 N -2.74 0.00 -0.15 0.53 -4.36 -1.26 -5.17 121.20 108.06 2dhi s ILE 70 Ca 0.00 -1.82 -0.16 0.00 -0.26 0.00 0.00 60.65 58.42 2dhi s ILE 70 Cb 0.00 -2.46 0.04 0.00 1.25 0.00 0.00 42.46 41.29 2dhi s ILE 70 CO 0.00 0.00 0.44 -1.10 0.24 0.00 0.00 174.94 174.52 2dhi s GLN 71 N -3.83 0.55 0.52 0.37 -1.52 -1.26 -5.10 119.66 109.38 2dhi s GLN 71 Ca 0.35 0.52 -0.21 0.00 -1.95 0.00 0.00 55.36 54.07 2dhi s GLN 71 Cb 0.03 0.26 -0.06 0.00 -0.22 0.00 0.00 33.01 33.02 2dhi s GLN 71 CO 0.15 -0.08 1.14 -1.25 -0.25 0.00 0.00 175.29 175.00 2dhi s PRO 72 N 0.03 3.48 0.90 2.91 0.04 -1.26 -5.03 135.00 136.06 2dhi s PRO 72 Ca -0.02 1.66 -0.12 0.00 0.04 0.00 0.00 61.00 62.57 2dhi s PRO 72 Cb -0.03 -2.13 0.13 0.00 0.04 0.00 0.00 34.50 32.51 2dhi s PRO 72 CO 0.01 -0.75 1.09 -1.25 0.04 0.00 0.00 177.00 176.14 2dhi s PRO 73 N -3.11 1.27 -0.03 0.56 0.04 -1.26 -4.97 135.00 127.50 2dhi s PRO 73 Ca 0.70 0.82 -0.30 0.00 0.04 0.00 0.00 61.00 62.26 2dhi s PRO 73 Cb -0.25 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 2dhi s PRO 73 CO 0.29 -2.24 1.35 0.34 0.04 0.00 0.00 177.00 176.79 2dhi s ASP 74 N -3.42 6.90 0.00 6.66 -1.08 -1.26 -2.90 116.67 121.57 2dhi s ASP 74 Ca 0.63 2.01 0.00 0.00 -0.52 0.00 0.00 52.55 54.68 2dhi s ASP 74 Cb -0.18 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.72 2dhi s ASP 74 CO 0.57 -0.70 0.00 0.61 0.52 0.00 0.00 175.17 176.17 2dhi n GLY 75 N 3.59 0.85 3.03 2.66 0.00 -1.26 -5.08 105.19 108.99 2dhi n GLY 75 Ca 0.13 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.54 0.18 0.00 1.61 -0.14 -1.14 -5.13 119.74 114.58 2dhi s LYS 76 Ca 0.00 0.23 0.00 0.00 -1.36 0.00 0.00 55.97 54.84 2dhi s LYS 76 Cb 0.00 0.08 0.00 0.00 -1.68 0.00 0.00 37.83 36.23 2dhi s LYS 76 CO 0.00 -0.03 0.00 -0.35 -0.76 0.00 0.00 175.35 174.21 2dhi n PRO 77 N 3.04 -0.30 -0.10 -1.68 -0.04 -1.26 -4.62 135.00 130.04 2dhi n PRO 77 Ca -0.13 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.11 2dhi n PRO 77 Cb 0.59 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.93 2dhi n PRO 77 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2dhi n ARG 78 N -0.97 0.65 0.31 0.54 3.00 -1.26 -4.20 116.66 114.73 2dhi n ARG 78 Ca 0.00 0.25 0.14 0.00 -0.00 0.00 0.00 57.85 58.24 2dhi n ARG 78 Cb 0.00 -1.59 0.75 0.00 0.00 0.00 0.00 32.46 31.62 2dhi n ARG 78 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 2dhi h ASP 79 N -0.32 0.00 -0.10 6.15 3.32 -1.93 0.41 116.42 123.96 2dhi h ASP 79 Ca -0.54 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.51 2dhi h ASP 79 Cb 1.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.35 2dhi h ASP 79 CO -0.14 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.38 2dhi s LEU 81 N -0.72 4.09 -0.08 0.00 1.43 0.14 0.07 118.68 123.62 2dhi s LEU 81 Ca 0.08 0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.47 2dhi s LEU 81 Cb 0.05 -1.99 0.03 0.00 0.03 0.00 0.00 46.19 44.30 2dhi s LEU 81 CO 0.04 0.34 -0.01 -0.22 0.23 0.00 0.00 176.35 176.73 2dhi s LEU 82 N -0.64 0.69 -0.04 1.79 2.96 0.63 -2.79 118.68 121.28 2dhi s LEU 82 Ca 0.12 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.95 2dhi s LEU 82 Cb -0.12 -0.51 -0.02 0.00 0.50 0.00 0.00 46.19 46.04 2dhi s LEU 82 CO 0.02 -0.18 -0.17 -1.58 -1.32 0.00 0.00 176.35 173.12 2dhi s GLN 83 N 1.93 2.42 -0.44 1.98 0.74 0.67 0.53 119.66 127.49 2dhi s GLN 83 Ca 0.05 -0.75 0.02 0.00 0.05 0.00 0.00 55.36 54.72 2dhi s GLN 83 Cb -0.12 -2.30 0.12 0.00 1.10 0.00 0.00 33.01 31.81 2dhi s GLN 83 CO -0.06 0.60 0.19 0.42 -0.55 0.00 0.00 175.29 175.90 2dhi s ILE 84 N -0.69 2.77 -0.49 -2.34 -1.09 -0.63 -1.53 121.20 117.20 2dhi s ILE 84 Ca 0.11 -2.63 -0.27 0.00 -2.23 0.00 0.00 60.65 55.62 2dhi s ILE 84 Cb -0.11 -2.94 -0.03 0.00 -1.58 0.00 0.00 42.46 37.80 2dhi s ILE 84 CO 0.00 -0.71 2.00 -0.69 -1.23 0.00 0.00 174.94 174.31 2dhi s VAL 85 N 0.50 3.28 0.90 2.92 1.01 -0.68 -2.56 120.40 125.76 2dhi s VAL 85 Ca 0.13 0.21 -0.15 0.00 0.00 0.00 0.00 61.98 62.17 2dhi s VAL 85 Cb -0.22 -3.59 0.23 0.00 0.00 0.00 0.00 36.38 32.81 2dhi s VAL 85 CO -0.04 -0.51 0.66 0.00 0.00 0.00 0.00 175.10 175.20 2dhi n ARG 87 N -4.14 0.54 -1.73 0.00 0.63 0.35 -4.24 116.66 108.07 2dhi n ARG 87 Ca 0.10 0.24 -0.42 0.00 -0.92 0.00 0.00 57.85 56.84 2dhi n ARG 87 Cb 0.40 -1.41 -0.01 0.00 0.45 0.00 0.00 32.46 31.90 2dhi n ARG 87 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2dhi n ASP 88 N -4.17 3.81 -2.76 6.15 9.92 -1.26 -4.70 116.55 123.54 2dhi n ASP 88 Ca -0.48 -2.83 -0.13 0.00 -0.53 0.00 0.00 54.79 50.82 2dhi n ASP 88 Cb 0.83 -1.62 0.01 0.00 -0.64 0.00 0.00 41.12 39.71 2dhi n ASP 88 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dhi n GLY 89 N 4.21 0.06 3.59 0.44 0.00 -1.26 -4.98 105.19 107.26 2dhi n GLY 89 Ca 0.52 0.37 -0.04 0.00 0.00 0.00 0.00 46.02 46.87 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 -1.25 0.34 -0.12 1.61 2.20 -1.26 -5.05 119.74 116.20 2dhi s LYS 90 Ca 0.12 -0.13 -0.15 0.00 -0.36 0.00 0.00 55.97 55.45 2dhi s LYS 90 Cb -0.01 0.15 0.04 0.00 -1.51 0.00 0.00 37.83 36.50 2dhi s LYS 90 CO 0.28 -0.15 0.41 0.99 -0.36 0.00 0.00 175.35 176.52 2dhi s THR 91 N -2.46 0.01 -0.24 3.43 2.01 -1.26 -1.16 115.64 115.97 2dhi s THR 91 Ca 0.09 -0.10 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 2dhi s THR 91 Cb -0.01 -0.61 0.02 0.00 0.01 0.00 0.00 72.50 71.91 2dhi s THR 91 CO -0.05 -0.05 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.13 2dhi s ILE 92 N -0.16 2.87 -0.52 1.82 1.01 -1.06 -4.97 121.20 120.19 2dhi s ILE 92 Ca -0.03 -0.95 -0.21 0.00 0.00 0.00 0.00 60.65 59.45 2dhi s ILE 92 Cb -0.03 -2.42 0.05 0.00 0.01 0.00 0.00 42.46 40.07 2dhi s ILE 92 CO 0.02 0.25 0.77 -0.44 0.00 0.00 0.00 174.94 175.54 2dhi s SER 93 N 1.34 6.28 0.26 3.58 0.01 -1.26 -1.61 113.70 122.30 2dhi s SER 93 Ca 0.01 -0.63 0.09 0.00 1.31 0.00 0.00 55.95 56.74 2dhi s SER 93 Cb -0.16 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 2dhi s SER 93 CO -0.05 -1.03 0.01 -0.76 0.41 0.00 0.00 173.24 171.82 2dhi s LEU 94 N 3.22 3.25 -0.07 2.44 1.43 0.19 -0.38 118.68 128.75 2dhi s LEU 94 Ca 0.22 -0.60 -0.03 0.00 -1.03 0.00 0.00 54.13 52.69 2dhi s LEU 94 Cb -0.16 -1.78 0.04 0.00 0.03 0.00 0.00 46.19 44.32 2dhi s LEU 94 CO 0.16 0.00 0.16 0.00 0.23 0.00 0.00 176.35 176.90 2dhi s ALA 96 N 1.31 3.53 0.21 0.00 0.00 0.11 -2.00 121.76 124.92 2dhi s ALA 96 Ca -0.08 -0.57 -0.10 0.00 0.00 0.00 0.00 51.96 51.21 2dhi s ALA 96 Cb -0.12 -2.40 0.16 0.00 0.00 0.00 0.00 23.12 20.76 2dhi s ALA 96 CO -0.06 -0.03 1.87 0.93 0.00 0.00 0.00 175.76 178.47 2dhi h GLU 97 N 0.97 0.95 -3.74 0.00 4.39 -1.86 -3.46 114.58 111.84 2dhi h GLU 97 Ca -0.48 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.08 2dhi h GLU 97 Cb 1.20 -0.21 -0.13 0.00 -0.10 0.00 0.00 28.75 29.51 2dhi h GLU 97 CO 0.63 0.63 -0.28 -1.54 -1.16 0.00 0.00 179.01 177.29 2dhi s SER 98 N -5.85 0.01 0.31 1.42 1.04 -1.26 -4.98 113.70 104.39 2dhi s SER 98 Ca -0.13 -0.68 0.05 0.00 0.48 0.00 0.00 55.95 55.67 2dhi s SER 98 Cb 0.15 0.41 0.82 0.00 0.10 0.00 0.00 66.02 67.50 2dhi s SER 98 CO 0.78 -0.83 1.62 0.74 0.98 0.00 0.00 173.24 176.53 2dhi h THR 99 N 2.58 0.21 -0.24 2.02 2.02 -1.88 0.26 112.91 117.89 2dhi h THR 99 Ca -0.33 -0.05 0.05 0.00 0.77 0.00 0.00 66.41 66.85 2dhi h THR 99 Cb 1.22 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 2dhi h THR 99 CO 0.50 0.03 -0.05 -0.78 0.37 0.00 0.00 175.52 175.60 2dhi h ASP 100 N 0.15 -0.19 -0.08 4.18 3.58 -1.96 -0.78 116.42 121.32 2dhi h ASP 100 Ca 0.61 0.07 0.01 0.00 0.42 0.00 0.00 57.03 58.14 2dhi h ASP 100 Cb 1.31 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.48 2dhi h ASP 100 CO -0.72 -0.07 -0.01 0.44 -2.88 0.00 0.00 179.24 176.00 2dhi h ASP 101 N 0.01 -0.06 -0.38 2.28 5.19 -0.92 -1.50 116.42 121.04 2dhi h ASP 101 Ca 0.11 0.02 0.07 0.00 -0.62 0.00 0.00 57.03 56.62 2dhi h ASP 101 Cb 0.17 0.04 -0.06 0.00 0.18 0.00 0.00 39.33 39.66 2dhi h ASP 101 CO -0.23 -0.02 -0.00 0.00 -3.12 0.00 0.00 179.24 175.87 2dhi h LEU 103 N 0.10 0.38 0.05 0.00 3.38 -0.87 -0.25 115.31 118.10 2dhi h LEU 103 Ca 0.19 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.21 2dhi h LEU 103 Cb 0.27 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 2dhi h LEU 103 CO -0.32 0.27 -0.36 0.00 0.09 0.00 0.00 178.44 178.12 2dhi h ALA 104 N 1.25 -0.58 -0.38 1.53 0.00 -0.50 0.14 119.26 120.72 2dhi h ALA 104 Ca 0.21 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2dhi h ALA 104 Cb 0.09 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2dhi h ALA 104 CO -0.13 -0.89 0.23 -1.49 0.00 0.00 0.00 179.25 176.97 2dhi h TRP 105 N -0.55 0.43 -0.30 0.00 4.06 -1.16 -2.21 115.95 116.24 2dhi h TRP 105 Ca 0.04 0.01 0.05 0.00 2.06 0.00 0.00 58.89 61.06 2dhi h TRP 105 Cb 0.61 -0.14 -0.05 0.00 -1.00 0.00 0.00 29.16 28.58 2dhi h TRP 105 CO -0.35 0.26 -0.01 -0.22 -3.56 0.00 0.00 178.44 174.56 2dhi h LYS 106 N 0.47 0.07 -0.85 0.49 3.64 -0.60 0.27 116.57 120.06 2dhi h LYS 106 Ca 0.15 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.60 2dhi h LYS 106 Cb -0.01 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.73 2dhi h LYS 106 CO -0.06 0.05 0.52 0.74 -2.27 0.00 0.00 179.45 178.42 2dhi h PHE 107 N 0.07 0.95 -0.43 1.91 0.04 -0.45 0.19 116.94 119.23 2dhi h PHE 107 Ca 0.15 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.88 2dhi h PHE 107 Cb 0.20 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.03 2dhi h PHE 107 CO -0.23 0.45 0.00 1.15 -0.60 0.00 0.00 178.31 179.08 2dhi h THR 108 N 0.91 1.26 0.08 -1.55 2.02 -0.71 -2.79 112.91 112.12 2dhi h THR 108 Ca 0.39 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 2dhi h THR 108 Cb 0.25 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2dhi h THR 108 CO -0.20 0.35 -0.04 -0.07 0.37 0.00 0.00 175.52 175.93 2dhi h LEU 109 N 0.59 -0.09 -2.11 2.58 3.38 -0.28 -1.11 115.31 118.27 2dhi h LEU 109 Ca 0.12 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.85 2dhi h LEU 109 Cb 0.48 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2dhi h LEU 109 CO 0.02 0.21 0.30 1.56 0.09 0.00 0.00 178.44 180.63 2dhi h GLN 110 N -0.40 0.00 0.07 1.13 4.20 -0.66 -0.78 115.11 118.67 2dhi h GLN 110 Ca -0.01 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.41 2dhi h GLN 110 Cb 0.34 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 2dhi h GLN 110 CO 0.02 0.00 -1.54 0.22 -0.67 0.00 0.00 178.83 176.86 2dhi h ASP 111 N 0.00 0.24 -0.71 1.46 3.58 -1.18 -3.26 116.42 116.55 2dhi h ASP 111 Ca 0.02 -0.75 0.08 0.00 0.42 0.00 0.00 57.03 56.80 2dhi h ASP 111 Cb 0.63 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.56 2dhi h ASP 111 CO -0.00 1.65 0.47 0.77 -2.88 0.00 0.00 179.24 179.24 2dhi h SER 112 N -0.46 0.57 -0.18 2.28 4.64 0.11 0.46 113.55 120.97 2dhi h SER 112 Ca -0.36 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 60.89 2dhi h SER 112 Cb 1.67 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.64 2dhi h SER 112 CO -0.04 0.35 -0.20 0.08 -0.87 0.00 0.00 176.83 176.16 2dhi h ARG 113 N 0.64 0.45 -0.82 4.77 0.11 -1.50 -3.00 114.38 115.05 2dhi h ARG 113 Ca 0.32 -0.25 -0.01 0.00 0.10 0.00 0.00 59.98 60.15 2dhi h ARG 113 Cb 0.40 0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.49 2dhi h ARG 113 CO -0.11 0.82 0.01 -2.37 0.10 0.00 0.00 179.97 178.42 2dhi n THR 114 N -4.46 1.28 -2.92 0.08 5.66 -0.77 -4.78 114.28 108.37 2dhi n THR 114 Ca -0.06 -0.64 -0.43 0.00 -3.05 0.00 0.00 64.05 59.88 2dhi n THR 114 Cb 0.40 -0.41 -0.05 0.00 -1.55 0.00 0.00 70.33 68.72 2dhi n THR 114 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2dhi s SER 115 N -0.34 6.48 0.00 1.09 0.15 0.08 -4.88 113.70 116.28 2dhi s SER 115 Ca 0.25 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.99 2dhi s SER 115 Cb 0.19 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 2dhi s SER 115 CO 0.07 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 174.22 2dhi n GLY 116 N 4.83 0.03 3.69 9.45 0.00 -1.26 -5.01 105.19 116.92 2dhi n GLY 116 Ca 0.04 -2.24 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 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 4.26 0.27 1.61 0.04 -1.26 -4.94 135.00 134.99 2dhi s PRO 117 Ca 0.00 2.02 -0.26 0.00 0.04 0.00 0.00 61.00 62.80 2dhi s PRO 117 Cb 0.00 -3.59 -0.16 0.00 0.04 0.00 0.00 34.50 30.79 2dhi s PRO 117 CO 0.00 -0.61 0.49 -1.13 0.04 0.00 0.00 177.00 175.79 2dhi n SER 118 N 5.49 -1.25 -4.29 6.66 3.41 -1.26 -4.76 113.62 117.62 2dhi n SER 118 Ca 0.14 1.05 -0.41 0.00 -0.26 0.00 0.00 58.87 59.39 2dhi n SER 118 Cb 0.43 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 2dhi n SER 118 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dhi n SER 119 N 1.91 -3.04 0.00 4.04 2.88 -1.26 -5.22 113.62 112.93 2dhi n SER 119 Ca 0.15 0.75 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 2dhi n SER 119 Cb 0.30 -0.89 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 2dhi n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42