#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhi s SER 2 N 0.00 -0.32 0.02 1.61 0.15 -1.26 -5.18 113.70 108.72 2dhi s SER 2 Ca 0.00 0.49 0.02 0.00 0.70 0.00 0.00 55.95 57.15 2dhi s SER 2 Cb 0.00 1.20 -0.01 0.00 -1.71 0.00 0.00 66.02 65.50 2dhi s SER 2 CO 0.00 -0.07 -0.05 -0.44 1.20 0.00 0.00 173.24 173.87 2dhi s SER 3 N 1.49 0.61 0.00 5.45 0.01 -1.26 -5.15 113.70 114.86 2dhi s SER 3 Ca -0.07 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 56.89 2dhi s SER 3 Cb -0.03 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.19 2dhi s SER 3 CO -0.14 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2dhi n GLY 4 N 2.26 2.01 3.02 3.44 0.00 -1.26 -5.16 105.19 109.51 2dhi n GLY 4 Ca -0.18 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 2dhi n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dhi n SER 5 N 0.00 -5.41 -4.65 1.61 3.41 -1.26 -4.94 113.62 102.38 2dhi n SER 5 Ca 0.00 0.16 -0.35 0.00 -0.26 0.00 0.00 58.87 58.42 2dhi n SER 5 Cb 0.00 -0.74 -0.10 0.00 -0.26 0.00 0.00 64.21 63.11 2dhi n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dhi s SER 6 N -1.05 5.26 -0.10 4.04 0.15 -1.26 -5.11 113.70 115.63 2dhi s SER 6 Ca 0.40 0.09 0.01 0.00 0.70 0.00 0.00 55.95 57.15 2dhi s SER 6 Cb -0.14 -1.64 -0.02 0.00 -1.71 0.00 0.00 66.02 62.51 2dhi s SER 6 CO 0.80 0.30 -0.12 -0.83 1.20 0.00 0.00 173.24 174.59 2dhi s GLY 7 N -0.43 1.58 0.07 9.45 0.00 -1.26 -5.09 107.32 111.64 2dhi s GLY 7 Ca 0.08 -0.90 -0.30 0.00 0.00 0.00 0.00 44.72 43.60 2dhi s GLY 7 CO 0.02 -0.39 1.04 -1.36 0.00 0.00 0.00 173.10 172.41 2dhi s PHE 8 N -0.08 3.64 0.08 1.90 0.08 -1.26 -3.68 117.98 118.66 2dhi s PHE 8 Ca -0.01 1.62 -0.31 0.00 0.12 0.00 0.00 56.93 58.35 2dhi s PHE 8 Cb -0.14 -3.19 -0.14 0.00 -0.57 0.00 0.00 43.02 38.98 2dhi s PHE 8 CO 0.03 -0.33 1.48 0.28 -0.10 0.00 0.00 175.22 176.59 2dhi h VAL 9 N 4.37 0.00 -3.69 -0.44 2.07 0.21 -3.44 116.25 115.33 2dhi h VAL 9 Ca -0.42 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 66.90 2dhi h VAL 9 Cb 1.22 0.00 -0.25 0.00 -1.52 0.00 0.00 31.29 30.73 2dhi h VAL 9 CO 0.75 0.00 -0.66 -0.75 0.02 0.00 0.00 177.57 176.93 2dhi s LYS 10 N -5.43 0.15 -0.03 1.57 2.20 -1.26 -5.00 119.74 111.94 2dhi s LYS 10 Ca -0.15 -0.13 0.02 0.00 -0.36 0.00 0.00 55.97 55.36 2dhi s LYS 10 Cb 0.05 0.06 0.01 0.00 -1.51 0.00 0.00 37.83 36.43 2dhi s LYS 10 CO 0.52 -0.03 -0.09 -1.54 -0.36 0.00 0.00 175.35 173.86 2dhi s SER 11 N -0.44 1.24 0.17 1.43 1.04 -1.26 -2.50 113.70 113.38 2dhi s SER 11 Ca -0.05 -0.19 -0.24 0.00 0.48 0.00 0.00 55.95 55.94 2dhi s SER 11 Cb -0.03 -0.39 0.06 0.00 0.10 0.00 0.00 66.02 65.76 2dhi s SER 11 CO -0.00 0.05 0.93 -0.83 0.98 0.00 0.00 173.24 174.36 2dhi s GLY 12 N 0.32 -0.21 -0.05 7.32 0.00 -1.22 -5.06 107.32 108.41 2dhi s GLY 12 Ca -0.05 0.07 -0.22 0.00 0.00 0.00 0.00 44.72 44.51 2dhi s GLY 12 CO 0.01 -0.01 0.65 -0.98 0.00 0.00 0.00 173.10 172.77 2dhi s TRP 13 N -3.37 3.60 -0.07 1.90 0.52 -1.26 -2.87 118.94 117.39 2dhi s TRP 13 Ca 0.12 1.19 -0.08 0.00 0.02 0.00 0.00 56.10 57.35 2dhi s TRP 13 Cb -0.02 -2.72 0.02 0.00 -1.15 0.00 0.00 33.47 29.60 2dhi s TRP 13 CO 0.03 0.17 0.22 -0.51 0.02 0.00 0.00 176.95 176.88 2dhi s LEU 14 N 0.51 1.17 0.45 2.99 1.43 -0.55 -4.72 118.68 119.96 2dhi s LEU 14 Ca 0.34 0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 53.66 2dhi s LEU 14 Cb -0.18 0.78 -0.08 0.00 0.03 0.00 0.00 46.19 46.75 2dhi s LEU 14 CO 0.17 -0.12 0.89 -0.76 0.23 0.00 0.00 176.35 176.75 2dhi s LEU 15 N -0.10 3.77 -0.05 1.79 1.43 -0.99 -0.60 118.68 123.94 2dhi s LEU 15 Ca -0.02 1.42 -0.02 0.00 -1.03 0.00 0.00 54.13 54.48 2dhi s LEU 15 Cb -0.02 -4.31 0.03 0.00 0.03 0.00 0.00 46.19 41.92 2dhi s LEU 15 CO 0.01 -0.46 0.09 -0.60 0.23 0.00 0.00 176.35 175.61 2dhi s ARG 16 N -3.78 -0.01 -0.70 1.70 3.52 0.96 -2.12 118.95 118.51 2dhi s ARG 16 Ca 0.56 0.35 -0.25 0.00 -0.13 0.00 0.00 55.73 56.26 2dhi s ARG 16 Cb -0.10 -0.32 0.04 0.00 -1.56 0.00 0.00 34.95 33.02 2dhi s ARG 16 CO 0.28 -0.24 1.16 -1.14 -0.81 0.00 0.00 175.30 174.54 2dhi s GLN 17 N 1.65 3.17 0.93 5.12 0.74 -0.67 -1.72 119.66 128.87 2dhi s GLN 17 Ca -0.03 -0.45 -0.11 0.00 0.05 0.00 0.00 55.36 54.82 2dhi s GLN 17 Cb -0.12 -4.19 0.15 0.00 1.10 0.00 0.00 33.01 29.94 2dhi s GLN 17 CO -0.04 -2.01 1.09 -1.12 -0.55 0.00 0.00 175.29 172.66 2dhi s SER 18 N 3.69 3.10 -0.08 6.67 0.01 -1.14 -4.61 113.70 121.34 2dhi s SER 18 Ca 0.30 1.60 -0.15 0.00 1.31 0.00 0.00 55.95 59.02 2dhi s SER 18 Cb -0.11 -2.26 -0.29 0.00 0.21 0.00 0.00 66.02 63.57 2dhi s SER 18 CO 0.13 -2.89 0.62 0.71 0.41 0.00 0.00 173.24 172.23 2dhi h THR 19 N -1.72 1.04 -0.05 1.44 1.35 -1.95 -1.61 112.91 111.41 2dhi h THR 19 Ca -0.50 -2.45 -0.07 0.00 -0.55 0.00 0.00 66.41 62.84 2dhi h THR 19 Cb 1.29 2.77 0.00 0.00 -1.73 0.00 0.00 68.15 70.48 2dhi h THR 19 CO 0.52 0.76 -0.23 0.40 -0.25 0.00 0.00 175.52 176.71 2dhi h ILE 20 N -0.17 1.46 0.00 6.82 2.04 -2.00 -3.28 117.51 122.38 2dhi h ILE 20 Ca -0.31 -1.69 -0.17 0.00 1.00 0.00 0.00 64.86 63.69 2dhi h ILE 20 Cb 1.87 2.42 -0.02 0.00 -0.74 0.00 0.00 36.82 40.34 2dhi h ILE 20 CO 0.11 0.47 -0.80 -0.07 0.00 0.00 0.00 178.15 177.86 2dhi h LEU 21 N -0.31 0.00 -1.11 1.44 3.38 -1.98 -3.47 115.31 113.27 2dhi h LEU 21 Ca -0.02 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.47 2dhi h LEU 21 Cb 0.89 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 2dhi h LEU 21 CO 0.05 0.80 -0.78 0.29 0.09 0.00 0.00 178.44 178.89 2dhi n LYS 22 N -3.48 -5.04 -3.83 1.13 5.02 -0.61 -4.95 118.16 106.40 2dhi n LYS 22 Ca -0.00 0.56 -0.10 0.00 -2.02 0.00 0.00 58.31 56.74 2dhi n LYS 22 Cb 0.80 -5.37 -0.08 0.00 -0.02 0.00 0.00 35.03 30.36 2dhi n LYS 22 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2dhi s ARG 23 N -6.61 0.73 -0.49 1.97 1.70 -1.25 -4.92 118.95 110.08 2dhi s ARG 23 Ca 0.59 -0.63 -0.28 0.00 -0.47 0.00 0.00 55.73 54.93 2dhi s ARG 23 Cb -0.30 0.31 0.02 0.00 -0.57 0.00 0.00 34.95 34.40 2dhi s ARG 23 CO 0.85 -0.22 1.35 -1.58 -1.08 0.00 0.00 175.30 174.61 2dhi s TRP 24 N -2.68 2.45 -0.07 5.89 0.52 -1.26 -2.90 118.94 120.89 2dhi s TRP 24 Ca -0.04 0.60 0.01 0.00 0.02 0.00 0.00 56.10 56.69 2dhi s TRP 24 Cb -0.00 -4.38 -0.03 0.00 -1.15 0.00 0.00 33.47 27.91 2dhi s TRP 24 CO -0.04 -1.82 -0.08 -1.59 0.02 0.00 0.00 176.95 173.43 2dhi s LYS 25 N 5.04 2.78 0.21 4.98 -2.85 -0.70 -4.80 119.74 124.41 2dhi s LYS 25 Ca 0.55 -0.58 -0.30 0.00 -1.00 0.00 0.00 55.97 54.63 2dhi s LYS 25 Cb -0.11 -2.57 -0.09 0.00 -2.06 0.00 0.00 37.83 33.00 2dhi s LYS 25 CO 0.30 0.61 1.38 0.21 0.10 0.00 0.00 175.35 177.95 2dhi s LYS 26 N -0.67 4.32 0.07 1.78 2.20 -1.26 -0.03 119.74 126.16 2dhi s LYS 26 Ca 0.10 2.17 -0.03 0.00 -0.36 0.00 0.00 55.97 57.85 2dhi s LYS 26 Cb -0.11 -3.16 -0.03 0.00 -1.51 0.00 0.00 37.83 33.02 2dhi s LYS 26 CO 0.02 -0.36 0.05 -0.80 -0.36 0.00 0.00 175.35 173.89 2dhi s ASN 27 N 0.45 0.36 -0.32 1.43 -0.87 0.23 -4.86 114.94 111.36 2dhi s ASN 27 Ca 0.59 -0.94 -0.09 0.00 -1.57 0.00 0.00 52.86 50.85 2dhi s ASN 27 Cb -0.39 0.26 0.01 0.00 -0.02 0.00 0.00 41.25 41.11 2dhi s ASN 27 CO 0.39 -0.66 0.14 0.86 -2.57 0.00 0.00 177.10 175.26 2dhi s TRP 28 N -3.93 3.19 0.25 2.20 -0.11 -0.94 -1.49 118.94 118.12 2dhi s TRP 28 Ca 0.09 -0.91 0.05 0.00 1.22 0.00 0.00 56.10 56.55 2dhi s TRP 28 Cb 0.07 -2.33 -0.03 0.00 -1.50 0.00 0.00 33.47 29.68 2dhi s TRP 28 CO -0.08 -0.58 0.34 -0.06 -4.62 0.00 0.00 176.95 171.95 2dhi s PHE 29 N 1.53 3.38 -0.30 5.86 0.40 -1.14 0.14 117.98 127.85 2dhi s PHE 29 Ca 0.02 -0.05 -0.08 0.00 -0.60 0.00 0.00 56.93 56.22 2dhi s PHE 29 Cb -0.18 -1.57 0.16 0.00 0.51 0.00 0.00 43.02 41.94 2dhi s PHE 29 CO 0.05 0.43 0.73 -0.51 0.70 0.00 0.00 175.22 176.61 2dhi s ASP 30 N -3.97 -1.07 0.18 1.36 1.11 0.16 -3.40 116.67 111.05 2dhi s ASP 30 Ca 0.34 1.12 -0.19 0.00 0.18 0.00 0.00 52.55 54.00 2dhi s ASP 30 Cb -0.09 2.08 -0.08 0.00 1.07 0.00 0.00 42.92 45.90 2dhi s ASP 30 CO 0.28 -0.20 0.67 -0.22 1.18 0.00 0.00 175.17 176.89 2dhi s LEU 31 N 2.82 4.38 0.37 1.23 2.96 -1.04 -1.98 118.68 127.41 2dhi s LEU 31 Ca 0.04 1.35 0.04 0.00 -0.22 0.00 0.00 54.13 55.33 2dhi s LEU 31 Cb -0.12 -3.42 -0.01 0.00 0.50 0.00 0.00 46.19 43.14 2dhi s LEU 31 CO -0.19 0.09 0.54 0.26 -1.32 0.00 0.00 176.35 175.73 2dhi s TRP 32 N -1.43 3.22 0.35 5.38 0.52 0.45 0.85 118.94 128.28 2dhi s TRP 32 Ca 0.40 0.01 0.09 0.00 0.02 0.00 0.00 56.10 56.61 2dhi s TRP 32 Cb -0.17 -2.05 0.66 0.00 -1.15 0.00 0.00 33.47 30.75 2dhi s TRP 32 CO 0.21 -0.08 1.83 0.66 0.02 0.00 0.00 176.95 179.59 2dhi h SER 33 N 0.73 0.22 1.31 2.95 4.64 -1.87 -1.93 113.55 119.62 2dhi h SER 33 Ca -0.47 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 2dhi h SER 33 Cb 1.25 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2dhi h SER 33 CO 0.56 0.47 0.00 -0.78 -0.87 0.00 0.00 176.83 176.21 2dhi h ASP 34 N 0.21 0.00 0.00 4.97 3.58 -1.94 -3.47 116.42 119.76 2dhi h ASP 34 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2dhi h ASP 34 Cb 0.55 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.60 2dhi h ASP 34 CO 0.04 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.01 2dhi n GLY 35 N 0.91 1.99 3.54 -0.78 0.00 -0.72 -4.93 105.19 105.19 2dhi n GLY 35 Ca 0.04 -0.60 -0.48 0.00 0.00 0.00 0.00 46.02 44.99 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 0.92 -4.98 1.61 8.25 -1.26 -4.10 115.22 115.66 2dhi n HIS 36 Ca 0.00 0.76 -0.32 0.00 -0.26 0.00 0.00 57.72 57.90 2dhi n HIS 36 Cb 0.00 -2.20 -0.16 0.00 1.12 0.00 0.00 29.99 28.75 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 0.98 2.43 0.04 2.41 2.96 0.13 -0.41 118.68 127.22 2dhi s LEU 37 Ca 0.68 -0.43 0.03 0.00 -0.22 0.00 0.00 54.13 54.19 2dhi s LEU 37 Cb -0.85 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 2dhi s LEU 37 CO 0.56 0.16 -0.10 -0.63 -1.32 0.00 0.00 176.35 175.02 2dhi s ILE 38 N 0.34 0.72 0.08 6.68 1.01 -0.84 -0.87 121.20 128.32 2dhi s ILE 38 Ca -0.14 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.59 2dhi s ILE 38 Cb -0.17 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.55 2dhi s ILE 38 CO 0.07 -0.18 -0.07 -0.72 0.00 0.00 0.00 174.94 174.05 2dhi s TYR 39 N -1.00 0.78 0.33 3.97 1.13 -1.12 -0.66 117.35 120.77 2dhi s TYR 39 Ca -0.04 -0.80 0.10 0.00 -1.41 0.00 0.00 57.07 54.93 2dhi s TYR 39 Cb -0.08 -0.46 -0.06 0.00 -1.10 0.00 0.00 41.96 40.25 2dhi s TYR 39 CO 0.01 -0.15 -0.12 0.71 -2.51 0.00 0.00 175.55 173.49 2dhi s TYR 40 N -2.93 2.38 0.35 -3.49 1.51 0.12 -1.64 117.35 113.66 2dhi s TYR 40 Ca 0.04 -0.46 0.11 0.00 -1.01 0.00 0.00 57.07 55.76 2dhi s TYR 40 Cb 0.01 -1.29 0.66 0.00 -0.11 0.00 0.00 41.96 41.22 2dhi s TYR 40 CO -0.04 0.61 1.80 0.22 -1.11 0.00 0.00 175.55 177.04 2dhi h ASP 41 N 2.07 0.05 -3.35 2.29 3.58 -1.76 -2.48 116.42 116.82 2dhi h ASP 41 Ca -0.42 -0.02 -0.14 0.00 0.42 0.00 0.00 57.03 56.88 2dhi h ASP 41 Cb 1.25 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 42.26 2dhi h ASP 41 CO 0.68 0.43 0.09 -0.90 -2.88 0.00 0.00 179.24 176.66 2dhi n ASP 42 N -4.08 -1.82 0.29 2.28 5.68 -1.26 -4.66 116.55 112.98 2dhi n ASP 42 Ca -0.02 -2.66 0.16 0.00 -0.50 0.00 0.00 54.79 51.77 2dhi n ASP 42 Cb 0.42 3.14 0.88 0.00 -1.14 0.00 0.00 41.12 44.43 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 -0.00 -1.97 -1.56 115.11 111.69 2dhi h GLN 43 Ca -0.30 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.35 2dhi h GLN 43 Cb 1.17 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.65 2dhi h GLN 43 CO 0.39 0.05 -0.02 1.79 0.00 0.00 0.00 178.83 181.04 2dhi h THR 44 N 0.00 0.10 -5.27 2.39 1.35 -1.98 -3.45 112.91 106.04 2dhi h THR 44 Ca -0.00 -0.25 -0.32 0.00 -0.55 0.00 0.00 66.41 65.30 2dhi h THR 44 Cb 0.20 1.22 -0.08 0.00 -1.73 0.00 0.00 68.15 67.75 2dhi h THR 44 CO 0.01 0.02 -0.46 0.54 -0.25 0.00 0.00 175.52 175.38 2dhi n ARG 45 N -3.19 -2.89 0.10 4.72 1.74 -0.59 -4.80 116.66 111.76 2dhi n ARG 45 Ca -0.02 0.39 0.06 0.00 -0.77 0.00 0.00 57.85 57.51 2dhi n ARG 45 Cb 0.17 -5.03 -0.01 0.00 -1.02 0.00 0.00 32.46 26.58 2dhi n ARG 45 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2dhi h GLN 46 N -0.64 0.00 -3.89 5.56 4.20 -1.88 -3.43 115.11 115.03 2dhi h GLN 46 Ca -0.35 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 57.78 2dhi h GLN 46 Cb 1.24 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 28.62 2dhi h GLN 46 CO 0.45 0.20 -0.76 -1.12 -0.67 0.00 0.00 178.83 176.92 2dhi s SER 47 N -5.83 3.72 -0.43 1.46 0.01 -1.26 -5.08 113.70 106.29 2dhi s SER 47 Ca 0.00 -1.31 -0.27 0.00 1.31 0.00 0.00 55.95 55.68 2dhi s SER 47 Cb 0.08 -0.94 -0.03 0.00 0.21 0.00 0.00 66.02 65.34 2dhi s SER 47 CO 0.78 -0.33 1.97 -0.63 0.41 0.00 0.00 173.24 175.44 2dhi s ILE 48 N 1.56 3.30 0.12 1.44 1.01 -1.26 -2.24 121.20 125.13 2dhi s ILE 48 Ca 0.02 0.26 -0.32 0.00 0.00 0.00 0.00 60.65 60.61 2dhi s ILE 48 Cb -0.18 -3.55 -0.10 0.00 0.01 0.00 0.00 42.46 38.64 2dhi s ILE 48 CO -0.13 -0.44 1.58 -0.33 0.00 0.00 0.00 174.94 175.61 2dhi h GLU 49 N 14.91 -0.61 -1.93 2.79 4.39 -1.59 -3.47 114.58 129.07 2dhi h GLU 49 Ca -0.31 0.04 0.24 0.00 0.34 0.00 0.00 59.36 59.67 2dhi h GLU 49 Cb 1.19 0.14 -0.11 0.00 -0.10 0.00 0.00 28.75 29.87 2dhi h GLU 49 CO 1.10 -0.41 0.64 0.34 -1.16 0.00 0.00 179.01 179.52 2dhi s ASP 50 N -4.75 -0.14 -0.03 1.42 2.15 -1.22 -5.05 116.67 109.05 2dhi s ASP 50 Ca -0.16 -0.25 0.01 0.00 0.43 0.00 0.00 52.55 52.58 2dhi s ASP 50 Cb 0.08 0.33 0.02 0.00 -0.30 0.00 0.00 42.92 43.04 2dhi s ASP 50 CO 0.63 -0.61 -0.04 -0.75 -0.17 0.00 0.00 175.17 174.23 2dhi s LYS 51 N -2.88 0.59 -0.01 4.34 2.20 -1.26 -2.79 119.74 119.93 2dhi s LYS 51 Ca 0.12 -0.09 -0.15 0.00 -0.36 0.00 0.00 55.97 55.50 2dhi s LYS 51 Cb 0.01 -0.63 0.02 0.00 -1.51 0.00 0.00 37.83 35.72 2dhi s LYS 51 CO -0.01 -0.03 0.31 0.08 -0.36 0.00 0.00 175.35 175.33 2dhi s VAL 52 N 0.62 0.06 0.48 4.02 1.01 -0.05 -5.02 120.40 121.52 2dhi s VAL 52 Ca -0.07 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.42 2dhi s VAL 52 Cb -0.11 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 35.63 2dhi s VAL 52 CO -0.00 -0.28 0.69 -2.28 0.00 0.00 0.00 175.10 173.23 2dhi s HIS 53 N -1.48 3.02 0.00 5.22 2.46 -1.26 0.20 115.29 123.45 2dhi s HIS 53 Ca -0.13 0.03 0.00 0.00 0.47 0.00 0.00 55.06 55.43 2dhi s HIS 53 Cb -0.05 -2.49 0.00 0.00 -0.13 0.00 0.00 32.58 29.92 2dhi s HIS 53 CO 0.03 -0.56 0.00 -1.33 -2.47 0.00 0.00 174.74 170.41 2dhi n MET 54 N -2.14 0.00 0.00 2.88 2.81 -1.26 -2.21 117.12 117.20 2dhi n MET 54 Ca 0.05 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 56.00 2dhi n MET 54 Cb 0.59 -0.40 0.35 0.00 -0.71 0.00 0.00 33.22 33.04 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 -2.48 0.49 0.00 0.03 -0.04 -1.26 -1.12 135.00 130.61 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 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 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 -0.87 0.00 -0.08 0.52 0.31 -1.26 -4.91 118.33 112.03 2dhi n VAL 56 Ca 0.09 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.30 2dhi n VAL 56 Cb 0.04 -1.44 -0.06 0.00 -0.91 0.00 0.00 33.84 31.47 2dhi n VAL 56 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2dhi h ASP 57 N 0.00 0.00 -2.59 4.52 5.19 -1.59 -3.46 116.42 118.49 2dhi h ASP 57 Ca 0.00 -0.23 -0.56 0.00 -0.62 0.00 0.00 57.03 55.63 2dhi h ASP 57 Cb 0.95 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.45 2dhi h ASP 57 CO 0.00 1.07 1.15 0.00 -3.12 0.00 0.00 179.24 178.34 2dhi n ILE 59 N 5.99 0.98 -4.11 0.00 -5.35 0.58 -4.42 119.36 113.03 2dhi n ILE 59 Ca 0.19 -0.71 -0.08 0.00 -0.27 0.00 0.00 62.75 61.88 2dhi n ILE 59 Cb 0.44 -0.39 -0.10 0.00 -1.74 0.00 0.00 39.64 37.85 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 -5.04 0.67 -0.14 7.28 2.47 -1.10 -5.05 114.94 114.04 2dhi s ASN 60 Ca -0.09 -0.97 -0.02 0.00 0.42 0.00 0.00 52.86 52.21 2dhi s ASN 60 Cb 0.07 0.16 0.04 0.00 -1.45 0.00 0.00 41.25 40.07 2dhi s ASN 60 CO 0.77 -0.54 0.00 -0.63 -3.72 0.00 0.00 177.10 172.98 2dhi s ILE 61 N -3.65 0.58 -0.28 -5.21 1.01 -1.26 -2.43 121.20 109.96 2dhi s ILE 61 Ca 0.07 -0.29 -0.09 0.00 0.00 0.00 0.00 60.65 60.33 2dhi s ILE 61 Cb 0.06 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.62 2dhi s ILE 61 CO -0.08 0.05 0.14 -0.13 0.00 0.00 0.00 174.94 174.93 2dhi s ARG 62 N 1.86 3.67 -0.08 2.79 0.52 -1.13 -5.00 118.95 121.59 2dhi s ARG 62 Ca 0.02 -0.49 -0.04 0.00 -0.52 0.00 0.00 55.73 54.69 2dhi s ARG 62 Cb -0.15 -3.53 0.04 0.00 0.52 0.00 0.00 34.95 31.83 2dhi s ARG 62 CO -0.07 -0.26 0.19 0.95 0.02 0.00 0.00 175.30 176.14 2dhi s THR 63 N 1.67 -0.04 -0.09 0.02 -4.23 -1.26 -1.00 115.64 110.71 2dhi s THR 63 Ca 0.06 0.14 -0.03 0.00 -1.18 0.00 0.00 61.69 60.69 2dhi s THR 63 Cb -0.16 -0.30 0.01 0.00 1.34 0.00 0.00 72.50 73.39 2dhi s THR 63 CO 0.07 0.06 0.05 0.61 -0.54 0.00 0.00 174.62 174.87 2dhi n GLY 64 N 4.06 -3.62 2.13 3.99 0.00 -1.22 -4.16 105.19 106.37 2dhi n GLY 64 Ca -0.24 0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.46 -1.25 -0.07 1.61 -0.00 -1.22 -4.72 115.22 110.03 2dhi n HIS 65 Ca -0.09 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.53 2dhi n HIS 65 Cb 0.14 -2.04 -0.07 0.00 -0.00 0.00 0.00 29.99 28.02 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 -2.24 0.58 -0.38 -0.41 1.02 -1.26 -5.03 120.64 112.92 2dhi n GLU 66 Ca -0.09 0.08 -0.22 0.00 -0.02 0.00 0.00 57.16 56.91 2dhi n GLU 66 Cb 0.45 -1.31 0.21 0.00 -0.02 0.00 0.00 31.44 30.78 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 -4.18 0.95 -1.60 0.00 3.52 -1.26 -4.93 118.95 111.44 2dhi s ARG 68 Ca 0.48 -0.02 0.00 0.00 -0.13 0.00 0.00 55.73 56.06 2dhi s ARG 68 Cb -0.09 0.44 0.00 0.00 -1.56 0.00 0.00 34.95 33.75 2dhi s ARG 68 CO 0.41 -0.35 0.00 -0.25 -0.81 0.00 0.00 175.30 174.30 2dhi n ASP 69 N 0.38 -4.98 -3.36 -2.12 8.00 -1.26 -4.96 116.55 108.25 2dhi n ASP 69 Ca -0.15 0.20 -0.19 0.00 0.71 0.00 0.00 54.79 55.36 2dhi n ASP 69 Cb 0.60 -4.01 -0.08 0.00 -0.02 0.00 0.00 41.12 37.61 2dhi n ASP 69 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2dhi s ILE 70 N -2.73 0.00 -0.20 0.53 -4.36 -1.26 -5.16 121.20 108.02 2dhi s ILE 70 Ca 0.00 -1.99 -0.16 0.00 -0.26 0.00 0.00 60.65 58.24 2dhi s ILE 70 Cb 0.00 -2.51 0.06 0.00 1.25 0.00 0.00 42.46 41.26 2dhi s ILE 70 CO 0.00 0.00 0.52 -1.10 0.24 0.00 0.00 174.94 174.60 2dhi s GLN 71 N -3.44 0.58 0.45 0.37 -0.21 -1.26 -5.15 119.66 111.01 2dhi s GLN 71 Ca 0.41 0.80 -0.23 0.00 0.02 0.00 0.00 55.36 56.35 2dhi s GLN 71 Cb 0.02 0.22 -0.08 0.00 1.00 0.00 0.00 33.01 34.18 2dhi s GLN 71 CO 0.27 -0.10 1.17 -1.25 -2.12 0.00 0.00 175.29 173.27 2dhi s PRO 72 N 0.65 3.80 1.09 2.91 0.04 -1.26 -5.04 135.00 137.19 2dhi s PRO 72 Ca -0.03 1.80 -0.18 0.00 0.04 0.00 0.00 61.00 62.62 2dhi s PRO 72 Cb -0.05 -2.45 0.27 0.00 0.04 0.00 0.00 34.50 32.31 2dhi s PRO 72 CO -0.04 -0.52 0.97 -0.35 0.04 0.00 0.00 177.00 177.10 2dhi n PRO 73 N -0.39 -2.92 -2.76 0.56 -0.04 -1.26 -4.97 135.00 123.22 2dhi n PRO 73 Ca 0.07 -1.55 -0.42 0.00 -0.04 0.00 0.00 63.50 61.56 2dhi n PRO 73 Cb 0.48 -1.46 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 2dhi n PRO 73 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2dhi s ASP 74 N -4.12 7.19 0.00 3.54 2.15 -1.26 -3.35 116.67 120.81 2dhi s ASP 74 Ca 0.63 1.45 0.00 0.00 0.43 0.00 0.00 52.55 55.06 2dhi s ASP 74 Cb -0.06 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 2dhi s ASP 74 CO 0.48 -0.38 0.00 0.61 -0.17 0.00 0.00 175.17 175.71 2dhi n GLY 75 N 3.14 0.79 2.89 2.66 0.00 -1.26 -5.06 105.19 108.35 2dhi n GLY 75 Ca 0.07 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.60 0.62 0.00 1.61 -0.14 -1.21 -5.09 119.74 114.93 2dhi s LYS 76 Ca 0.00 -0.09 0.00 0.00 -1.36 0.00 0.00 55.97 54.52 2dhi s LYS 76 Cb 0.00 -0.66 0.00 0.00 -1.68 0.00 0.00 37.83 35.49 2dhi s LYS 76 CO 0.00 -0.05 0.00 -0.35 -0.76 0.00 0.00 175.35 174.19 2dhi n PRO 77 N 3.81 -0.27 0.00 -1.68 -0.04 -1.26 -4.49 135.00 131.07 2dhi n PRO 77 Ca -0.23 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.32 2dhi n PRO 77 Cb 0.52 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.88 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 -0.95 0.78 0.13 0.54 0.63 -1.26 -4.26 116.66 112.27 2dhi n ARG 78 Ca 0.00 -0.06 0.02 0.00 -0.92 0.00 0.00 57.85 56.89 2dhi n ARG 78 Cb 0.00 -1.39 0.02 0.00 0.45 0.00 0.00 32.46 31.54 2dhi n ARG 78 CO 0.00 0.00 0.00 0.38 -2.51 0.00 0.00 177.63 175.50 2dhi h ASP 79 N 0.13 0.00 -0.18 6.15 3.04 -1.94 -3.13 116.42 120.50 2dhi h ASP 79 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2dhi h ASP 79 Cb 0.46 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.75 2dhi h ASP 79 CO 0.00 0.54 0.00 0.00 -2.04 0.00 0.00 179.24 177.74 2dhi s LEU 81 N -0.95 4.35 -0.14 0.00 1.43 -1.18 -0.85 118.68 121.33 2dhi s LEU 81 Ca 0.12 1.36 -0.00 0.00 -1.03 0.00 0.00 54.13 54.58 2dhi s LEU 81 Cb 0.07 -3.24 0.03 0.00 0.03 0.00 0.00 46.19 43.08 2dhi s LEU 81 CO 0.08 -0.14 -0.07 -0.22 0.23 0.00 0.00 176.35 176.23 2dhi s LEU 82 N 0.73 1.41 0.18 1.79 2.96 0.50 -3.44 118.68 122.81 2dhi s LEU 82 Ca 0.42 -0.46 0.11 0.00 -0.22 0.00 0.00 54.13 53.97 2dhi s LEU 82 Cb -0.19 -0.91 -0.04 0.00 0.50 0.00 0.00 46.19 45.55 2dhi s LEU 82 CO 0.22 -0.14 -0.23 -1.58 -1.32 0.00 0.00 176.35 173.30 2dhi s GLN 83 N 1.65 1.46 -0.19 1.98 0.74 -0.17 0.95 119.66 126.08 2dhi s GLN 83 Ca 0.03 -1.48 -0.04 0.00 0.05 0.00 0.00 55.36 53.92 2dhi s GLN 83 Cb -0.14 -1.75 0.06 0.00 1.10 0.00 0.00 33.01 32.28 2dhi s GLN 83 CO -0.08 0.38 0.07 0.42 -0.55 0.00 0.00 175.29 175.53 2dhi s ILE 84 N -1.67 0.22 -0.11 -2.34 -1.09 -0.79 -2.81 121.20 112.60 2dhi s ILE 84 Ca 0.19 -0.42 -0.16 0.00 -2.23 0.00 0.00 60.65 58.03 2dhi s ILE 84 Cb -0.08 -0.84 -0.05 0.00 -1.58 0.00 0.00 42.46 39.91 2dhi s ILE 84 CO 0.09 -0.30 0.39 -0.69 -1.23 0.00 0.00 174.94 173.20 2dhi s VAL 85 N 1.99 5.21 0.60 2.92 1.01 -1.02 -1.62 120.40 129.50 2dhi s VAL 85 Ca 0.01 0.77 -0.03 0.00 0.00 0.00 0.00 61.98 62.74 2dhi s VAL 85 Cb -0.17 -3.72 0.12 0.00 0.00 0.00 0.00 36.38 32.61 2dhi s VAL 85 CO -0.11 0.40 0.82 0.00 0.00 0.00 0.00 175.10 176.21 2dhi n ARG 87 N -2.57 0.00 -0.05 0.00 1.74 -0.85 -3.81 116.66 111.12 2dhi n ARG 87 Ca 0.13 0.48 -0.03 0.00 -0.77 0.00 0.00 57.85 57.65 2dhi n ARG 87 Cb 0.45 -1.45 -0.02 0.00 -1.02 0.00 0.00 32.46 30.42 2dhi n ARG 87 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 2dhi h ASP 88 N 0.00 -0.45 0.00 0.55 1.82 -1.96 -3.46 116.42 112.92 2dhi h ASP 88 Ca 0.00 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 2dhi h ASP 88 Cb 0.00 0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.20 2dhi h ASP 88 CO 0.00 -0.08 0.00 0.61 -1.61 0.00 0.00 179.24 178.16 2dhi n GLY 89 N -1.08 0.02 2.32 -0.78 0.00 -1.25 -5.14 105.19 99.28 2dhi n GLY 89 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2dhi n GLY 89 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dhi n LYS 90 N 0.00 0.00 -3.83 1.61 4.81 -1.26 -4.42 118.16 115.07 2dhi n LYS 90 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 2dhi n LYS 90 Cb 0.00 -0.69 -0.16 0.00 0.02 0.00 0.00 35.03 34.20 2dhi n LYS 90 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2dhi s THR 91 N -0.86 0.01 -0.27 3.15 2.01 -1.26 -0.74 115.64 117.67 2dhi s THR 91 Ca 0.43 0.15 -0.07 0.00 0.31 0.00 0.00 61.69 62.51 2dhi s THR 91 Cb -0.57 -0.11 -0.01 0.00 0.01 0.00 0.00 72.50 71.82 2dhi s THR 91 CO 0.40 0.09 0.07 -0.63 -0.69 0.00 0.00 174.62 173.86 2dhi s ILE 92 N 0.86 4.09 -0.38 1.82 1.01 -0.64 -4.94 121.20 123.03 2dhi s ILE 92 Ca -0.08 -0.47 -0.22 0.00 0.00 0.00 0.00 60.65 59.88 2dhi s ILE 92 Cb -0.11 -3.02 0.01 0.00 0.01 0.00 0.00 42.46 39.35 2dhi s ILE 92 CO -0.02 0.19 0.71 -0.44 0.00 0.00 0.00 174.94 175.38 2dhi s SER 93 N 1.55 6.46 0.24 3.58 0.01 -1.26 -1.88 113.70 122.40 2dhi s SER 93 Ca 0.04 0.15 0.11 0.00 1.31 0.00 0.00 55.95 57.56 2dhi s SER 93 Cb -0.16 -2.36 -0.05 0.00 0.21 0.00 0.00 66.02 63.66 2dhi s SER 93 CO 0.03 -0.70 -0.20 -0.76 0.41 0.00 0.00 173.24 172.01 2dhi s LEU 94 N 2.93 2.53 -0.06 2.44 1.43 0.27 -1.68 118.68 126.55 2dhi s LEU 94 Ca 0.27 -0.97 -0.03 0.00 -1.03 0.00 0.00 54.13 52.37 2dhi s LEU 94 Cb -0.14 -1.06 0.03 0.00 0.03 0.00 0.00 46.19 45.06 2dhi s LEU 94 CO 0.17 0.04 0.14 0.00 0.23 0.00 0.00 176.35 176.92 2dhi s ALA 96 N 0.89 3.79 0.23 0.00 0.00 -0.03 -2.33 121.76 124.31 2dhi s ALA 96 Ca -0.07 -1.01 -0.08 0.00 0.00 0.00 0.00 51.96 50.80 2dhi s ALA 96 Cb -0.09 -1.96 0.22 0.00 0.00 0.00 0.00 23.12 21.29 2dhi s ALA 96 CO -0.04 0.12 1.91 0.93 0.00 0.00 0.00 175.76 178.67 2dhi h GLU 97 N 1.03 1.19 -3.30 0.00 4.39 -1.88 -3.45 114.58 112.56 2dhi h GLU 97 Ca -0.50 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.05 2dhi h GLU 97 Cb 1.22 -0.27 -0.15 0.00 -0.10 0.00 0.00 28.75 29.45 2dhi h GLU 97 CO 0.62 0.79 -0.14 0.45 -1.16 0.00 0.00 179.01 179.57 2dhi s SER 98 N -6.02 -0.20 0.26 1.42 0.15 -1.26 -4.97 113.70 103.08 2dhi s SER 98 Ca -0.13 -0.22 0.01 0.00 0.70 0.00 0.00 55.95 56.30 2dhi s SER 98 Cb 0.17 0.43 0.61 0.00 -1.71 0.00 0.00 66.02 65.52 2dhi s SER 98 CO 0.80 -0.74 1.31 0.41 1.20 0.00 0.00 173.24 176.22 2dhi n THR 99 N 0.16 -0.35 -0.10 6.45 -1.04 -1.26 0.11 114.28 118.25 2dhi n THR 99 Ca -0.17 1.85 -0.06 0.00 -2.04 0.00 0.00 64.05 63.63 2dhi n THR 99 Cb 0.62 -2.69 0.00 0.00 -1.82 0.00 0.00 70.33 66.45 2dhi n THR 99 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2dhi h ASP 100 N 0.00 -0.42 -0.77 8.00 3.32 -1.96 0.17 116.42 124.77 2dhi h ASP 100 Ca 0.50 0.12 0.06 0.00 0.02 0.00 0.00 57.03 57.72 2dhi h ASP 100 Cb 1.00 0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.74 2dhi h ASP 100 CO -0.80 -0.15 0.46 0.44 -1.72 0.00 0.00 179.24 177.48 2dhi h ASP 101 N -0.04 0.72 -0.63 6.45 3.32 0.38 -1.31 116.42 125.32 2dhi h ASP 101 Ca 0.17 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.16 2dhi h ASP 101 Cb 0.31 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2dhi h ASP 101 CO -0.39 0.46 0.07 0.00 -1.72 0.00 0.00 179.24 177.67 2dhi h LEU 103 N 0.97 -1.08 -0.72 0.00 3.38 0.02 0.58 115.31 118.47 2dhi h LEU 103 Ca 0.19 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.31 2dhi h LEU 103 Cb 0.48 0.28 -0.13 0.00 0.09 0.00 0.00 40.66 41.38 2dhi h LEU 103 CO 0.02 -0.75 -0.38 0.00 0.09 0.00 0.00 178.44 177.42 2dhi h ALA 104 N -1.38 -0.06 0.13 1.53 0.00 -1.30 0.15 119.26 118.34 2dhi h ALA 104 Ca -0.13 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2dhi h ALA 104 Cb 0.97 0.91 -0.00 0.00 0.00 0.00 0.00 17.79 19.67 2dhi h ALA 104 CO 0.21 -0.70 -0.09 -1.49 0.00 0.00 0.00 179.25 177.18 2dhi h TRP 105 N -0.12 -0.22 -0.01 0.00 4.06 -1.47 -1.97 115.95 116.22 2dhi h TRP 105 Ca 0.25 -0.00 0.02 0.00 2.06 0.00 0.00 58.89 61.22 2dhi h TRP 105 Cb 0.56 0.08 -0.06 0.00 -1.00 0.00 0.00 29.16 28.75 2dhi h TRP 105 CO -0.73 -0.14 -0.53 -0.22 -3.56 0.00 0.00 178.44 173.26 2dhi h LYS 106 N -0.22 -0.63 -0.61 0.49 3.64 0.61 0.08 116.57 119.92 2dhi h LYS 106 Ca -0.01 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.54 2dhi h LYS 106 Cb 0.18 0.14 -0.11 0.00 -0.41 0.00 0.00 32.23 32.04 2dhi h LYS 106 CO 0.01 -0.42 -0.05 0.74 -2.27 0.00 0.00 179.45 177.45 2dhi h PHE 107 N -0.66 -0.14 -0.54 1.91 0.04 -0.71 0.18 116.94 117.02 2dhi h PHE 107 Ca 0.01 0.05 0.06 0.00 2.80 0.00 0.00 57.97 60.90 2dhi h PHE 107 Cb 0.71 0.16 -0.06 0.00 2.20 0.00 0.00 35.95 38.96 2dhi h PHE 107 CO -0.52 -0.20 0.23 1.15 -0.60 0.00 0.00 178.31 178.37 2dhi h THR 108 N 0.07 0.87 0.70 -1.55 2.02 -0.55 -0.26 112.91 114.22 2dhi h THR 108 Ca 0.31 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.31 2dhi h THR 108 Cb 0.50 0.39 0.01 0.00 -1.74 0.00 0.00 68.15 67.31 2dhi h THR 108 CO -0.57 0.08 -0.34 -0.07 0.37 0.00 0.00 175.52 175.00 2dhi h LEU 109 N 0.44 -0.80 -1.91 2.58 3.38 0.75 0.89 115.31 120.64 2dhi h LEU 109 Ca 0.25 0.01 0.30 0.00 0.09 0.00 0.00 57.88 58.53 2dhi h LEU 109 Cb 0.24 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 2dhi h LEU 109 CO -0.22 -0.43 0.75 1.56 0.09 0.00 0.00 178.44 180.19 2dhi h GLN 110 N -1.20 0.06 0.16 1.13 1.08 -0.61 0.11 115.11 115.84 2dhi h GLN 110 Ca -0.10 -0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.89 2dhi h GLN 110 Cb 0.74 -0.01 0.02 0.00 -0.05 0.00 0.00 27.48 28.18 2dhi h GLN 110 CO 0.16 0.04 -0.94 0.22 -0.95 0.00 0.00 178.83 177.36 2dhi h ASP 111 N 0.06 0.55 -0.44 1.46 3.58 -0.86 -3.29 116.42 117.48 2dhi h ASP 111 Ca 0.51 -0.94 0.10 0.00 0.42 0.00 0.00 57.03 57.12 2dhi h ASP 111 Cb 1.94 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 42.79 2dhi h ASP 111 CO -0.04 1.45 0.31 0.77 -2.88 0.00 0.00 179.24 178.84 2dhi h SER 112 N -0.25 0.15 -0.93 2.28 4.64 0.17 -2.21 113.55 117.41 2dhi h SER 112 Ca -0.16 0.00 0.27 0.00 -0.47 0.00 0.00 61.79 61.43 2dhi h SER 112 Cb 1.73 -0.03 -0.16 0.00 -0.31 0.00 0.00 62.40 63.64 2dhi h SER 112 CO 0.18 0.09 0.21 0.03 -0.87 0.00 0.00 176.83 176.47 2dhi h ARG 113 N 0.17 0.12 0.17 4.77 3.08 -1.37 0.89 114.38 122.21 2dhi h ARG 113 Ca 0.21 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.26 2dhi h ARG 113 Cb 0.59 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 2dhi h ARG 113 CO -0.03 0.08 -0.23 1.79 -1.07 0.00 0.00 179.97 180.50 2dhi h THR 114 N 0.12 0.49 0.00 2.04 1.35 -1.61 -3.42 112.91 111.88 2dhi h THR 114 Ca 0.61 0.00 -0.51 0.00 -0.55 0.00 0.00 66.41 65.96 2dhi h THR 114 Cb 1.30 0.49 -0.09 0.00 -1.73 0.00 0.00 68.15 68.12 2dhi h THR 114 CO -0.75 0.00 1.73 -0.24 -0.25 0.00 0.00 175.52 176.01 2dhi n SER 115 N -5.36 0.30 0.00 5.36 2.88 0.30 -4.53 113.62 112.58 2dhi n SER 115 Ca -0.07 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2dhi n SER 115 Cb 0.27 -0.91 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 2dhi n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dhi n GLY 116 N 6.48 0.34 0.18 0.46 0.00 -1.26 -4.78 105.19 106.60 2dhi n GLY 116 Ca 0.65 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 46.66 2dhi n GLY 116 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dhi h PRO 117 N 0.00 0.58 -5.62 1.61 0.13 -1.97 -3.45 132.00 123.27 2dhi h PRO 117 Ca 0.00 -0.30 -0.46 0.00 -0.87 0.00 0.00 66.00 64.37 2dhi h PRO 117 Cb 0.00 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 30.98 2dhi h PRO 117 CO 0.00 0.89 -0.75 -1.12 -0.23 0.00 0.00 178.00 176.79 2dhi s SER 118 N -6.39 2.42 -0.07 1.44 0.01 -1.26 -5.14 113.70 104.70 2dhi s SER 118 Ca -0.13 -0.92 -0.02 0.00 1.31 0.00 0.00 55.95 56.20 2dhi s SER 118 Cb 0.07 -0.12 0.03 0.00 0.21 0.00 0.00 66.02 66.22 2dhi s SER 118 CO 0.80 -0.13 0.02 -0.55 0.41 0.00 0.00 173.24 173.79 2dhi s SER 119 N -2.89 1.54 0.00 2.44 0.15 -1.26 -4.68 113.70 109.00 2dhi s SER 119 Ca 0.17 -0.08 0.18 0.00 0.70 0.00 0.00 55.95 56.91 2dhi s SER 119 Cb -0.03 -0.37 1.05 0.00 -1.71 0.00 0.00 66.02 64.96 2dhi s SER 119 CO 0.05 -0.22 1.45 0.61 1.20 0.00 0.00 173.24 176.33