#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 3.70 -0.30 1.61 0.01 -1.26 -5.09 113.70 112.37 2dhi s SER 2 Ca 0.00 -1.35 -0.16 0.00 1.31 0.00 0.00 55.95 55.75 2dhi s SER 2 Cb 0.00 -0.83 0.17 0.00 0.21 0.00 0.00 66.02 65.57 2dhi s SER 2 CO 0.00 -0.36 1.07 -0.55 0.41 0.00 0.00 173.24 173.81 2dhi s SER 3 N 1.65 -0.39 0.00 2.44 0.15 -1.26 -5.06 113.70 111.24 2dhi s SER 3 Ca 0.05 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.27 2dhi s SER 3 Cb -0.17 1.30 0.00 0.00 -1.71 0.00 0.00 66.02 65.44 2dhi s SER 3 CO -0.18 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2dhi n GLY 4 N 4.12 2.14 3.78 9.45 0.00 -1.26 -5.06 105.19 118.36 2dhi n GLY 4 Ca -0.14 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 2dhi n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dhi s SER 5 N -2.18 6.42 -0.20 1.61 1.04 -1.26 -5.02 113.70 114.11 2dhi s SER 5 Ca 0.00 0.49 -0.36 0.00 0.48 0.00 0.00 55.95 56.57 2dhi s SER 5 Cb 0.00 -2.14 -0.12 0.00 0.10 0.00 0.00 66.02 63.85 2dhi s SER 5 CO 0.00 0.23 1.93 -1.54 0.98 0.00 0.00 173.24 174.83 2dhi n SER 6 N 2.93 2.92 -4.38 7.02 3.41 -1.26 -4.82 113.62 119.44 2dhi n SER 6 Ca -0.15 0.85 -0.37 0.00 -0.26 0.00 0.00 58.87 58.94 2dhi n SER 6 Cb 0.53 -1.30 -0.03 0.00 -0.26 0.00 0.00 64.21 63.15 2dhi n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dhi n GLY 7 N 4.85 2.10 2.52 5.00 0.00 -1.26 -4.93 105.19 113.46 2dhi n GLY 7 Ca 0.28 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 2dhi n GLY 7 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dhi n PHE 8 N 10.59 0.27 0.02 1.61 3.72 -1.26 -4.75 117.46 127.66 2dhi n PHE 8 Ca 0.48 0.75 -0.14 0.00 -0.05 0.00 0.00 57.45 58.49 2dhi n PHE 8 Cb 0.45 -1.49 -0.09 0.00 -0.94 0.00 0.00 39.48 37.41 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 1.83 0.00 -3.62 -4.37 2.07 0.28 -3.43 116.25 109.01 2dhi h VAL 9 Ca -0.33 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 66.97 2dhi h VAL 9 Cb 1.04 0.00 -0.28 0.00 -1.52 0.00 0.00 31.29 30.53 2dhi h VAL 9 CO 0.46 0.00 -0.67 -0.75 0.02 0.00 0.00 177.57 176.62 2dhi s LYS 10 N -5.37 0.04 -0.05 1.57 2.20 -1.25 -5.00 119.74 111.89 2dhi s LYS 10 Ca -0.14 0.07 0.01 0.00 -0.36 0.00 0.00 55.97 55.55 2dhi s LYS 10 Cb 0.06 0.01 0.02 0.00 -1.51 0.00 0.00 37.83 36.41 2dhi s LYS 10 CO 0.53 -0.01 -0.05 -1.54 -0.36 0.00 0.00 175.35 173.91 2dhi s SER 11 N 0.08 1.01 0.34 1.43 1.04 -1.26 -2.27 113.70 114.08 2dhi s SER 11 Ca -0.01 -0.14 -0.15 0.00 0.48 0.00 0.00 55.95 56.13 2dhi s SER 11 Cb -0.01 -0.48 0.04 0.00 0.10 0.00 0.00 66.02 65.66 2dhi s SER 11 CO -0.00 -0.04 0.71 -0.83 0.98 0.00 0.00 173.24 174.06 2dhi s GLY 12 N 0.87 0.40 -0.15 7.32 0.00 -1.20 -5.05 107.32 109.50 2dhi s GLY 12 Ca -0.12 -0.74 -0.18 0.00 0.00 0.00 0.00 44.72 43.68 2dhi s GLY 12 CO 0.01 -0.36 0.48 -0.98 0.00 0.00 0.00 173.10 172.25 2dhi s TRP 13 N -2.93 3.46 0.02 1.90 0.52 -1.26 -2.98 118.94 117.67 2dhi s TRP 13 Ca 0.17 0.84 -0.07 0.00 0.02 0.00 0.00 56.10 57.05 2dhi s TRP 13 Cb -0.04 -2.59 -0.00 0.00 -1.15 0.00 0.00 33.47 29.69 2dhi s TRP 13 CO 0.11 0.08 0.14 -0.51 0.02 0.00 0.00 176.95 176.78 2dhi s LEU 14 N 0.97 1.59 0.35 2.99 1.43 -0.59 -4.59 118.68 120.84 2dhi s LEU 14 Ca 0.25 -0.33 -0.06 0.00 -1.03 0.00 0.00 54.13 52.96 2dhi s LEU 14 Cb -0.15 0.70 -0.05 0.00 0.03 0.00 0.00 46.19 46.72 2dhi s LEU 14 CO 0.10 -0.44 0.65 -0.76 0.23 0.00 0.00 176.35 176.13 2dhi s LEU 15 N -1.72 3.93 -0.09 1.79 1.43 -0.85 0.29 118.68 123.46 2dhi s LEU 15 Ca -0.10 0.86 -0.02 0.00 -1.03 0.00 0.00 54.13 53.83 2dhi s LEU 15 Cb -0.05 -3.72 0.04 0.00 0.03 0.00 0.00 46.19 42.49 2dhi s LEU 15 CO -0.01 -0.32 0.04 -0.60 0.23 0.00 0.00 176.35 175.70 2dhi s ARG 16 N -3.84 0.25 -0.38 1.70 3.52 -0.62 -2.16 118.95 117.42 2dhi s ARG 16 Ca 0.47 0.11 -0.26 0.00 -0.13 0.00 0.00 55.73 55.91 2dhi s ARG 16 Cb -0.10 -1.11 0.02 0.00 -1.56 0.00 0.00 34.95 32.19 2dhi s ARG 16 CO 0.33 -0.43 0.92 -1.14 -0.81 0.00 0.00 175.30 174.17 2dhi s GLN 17 N 2.06 3.79 0.25 5.12 0.74 -0.45 -3.13 119.66 128.04 2dhi s GLN 17 Ca 0.04 0.50 0.00 0.00 0.05 0.00 0.00 55.36 55.95 2dhi s GLN 17 Cb -0.13 -3.82 -0.04 0.00 1.10 0.00 0.00 33.01 30.12 2dhi s GLN 17 CO -0.05 -0.98 0.43 0.45 -0.55 0.00 0.00 175.29 174.58 2dhi s SER 18 N 1.94 6.35 0.36 6.67 0.15 -1.24 -4.42 113.70 123.52 2dhi s SER 18 Ca 0.38 0.37 0.22 0.00 0.70 0.00 0.00 55.95 57.61 2dhi s SER 18 Cb -0.12 -2.00 0.23 0.00 -1.71 0.00 0.00 66.02 62.42 2dhi s SER 18 CO 0.20 -0.12 1.46 0.00 1.20 0.00 0.00 173.24 175.97 2dhi h THR 19 N 1.26 0.13 0.09 6.45 1.03 -1.96 -0.41 112.91 119.50 2dhi h THR 19 Ca -0.49 -1.19 -0.28 0.00 -0.01 0.00 0.00 66.41 64.45 2dhi h THR 19 Cb 1.20 1.96 -0.01 0.00 -1.07 0.00 0.00 68.15 70.23 2dhi h THR 19 CO 0.65 0.07 -1.46 0.40 -0.01 0.00 0.00 175.52 175.17 2dhi h ILE 20 N 0.00 0.94 0.00 0.00 1.08 -1.99 -3.36 117.51 114.18 2dhi h ILE 20 Ca -0.01 -2.34 0.00 0.00 -0.39 0.00 0.00 64.86 62.13 2dhi h ILE 20 Cb 1.07 2.58 0.00 0.00 -3.07 0.00 0.00 36.82 37.40 2dhi h ILE 20 CO 0.01 0.65 -0.49 -0.07 -0.69 0.00 0.00 178.15 177.56 2dhi h LEU 21 N -0.40 0.00 -2.49 1.44 3.38 -1.99 -3.47 115.31 111.77 2dhi h LEU 21 Ca -0.33 -0.09 -0.62 0.00 0.09 0.00 0.00 57.88 56.93 2dhi h LEU 21 Cb 1.70 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 42.28 2dhi h LEU 21 CO 0.00 0.04 -0.98 0.29 0.09 0.00 0.00 178.44 177.89 2dhi n LYS 22 N -2.45 -0.78 -3.47 1.13 5.02 -0.16 -4.90 118.16 112.55 2dhi n LYS 22 Ca 0.03 0.08 -0.10 0.00 -2.02 0.00 0.00 58.31 56.30 2dhi n LYS 22 Cb 0.48 -3.33 -0.02 0.00 -0.02 0.00 0.00 35.03 32.13 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 -7.42 1.00 -0.43 1.97 1.70 -1.25 -4.98 118.95 109.53 2dhi s ARG 23 Ca 0.11 -0.35 -0.25 0.00 -0.47 0.00 0.00 55.73 54.77 2dhi s ARG 23 Cb -0.06 0.46 0.02 0.00 -0.57 0.00 0.00 34.95 34.80 2dhi s ARG 23 CO 1.00 -0.43 0.91 -1.58 -1.08 0.00 0.00 175.30 174.11 2dhi s TRP 24 N -3.29 2.98 -0.11 5.89 0.52 -1.26 -3.63 118.94 120.04 2dhi s TRP 24 Ca 0.03 0.49 0.01 0.00 0.02 0.00 0.00 56.10 56.65 2dhi s TRP 24 Cb -0.01 -3.84 -0.02 0.00 -1.15 0.00 0.00 33.47 28.46 2dhi s TRP 24 CO -0.10 -1.00 -0.13 -1.59 0.02 0.00 0.00 176.95 174.15 2dhi s LYS 25 N 3.62 3.16 0.26 4.98 -2.85 -1.18 -4.87 119.74 122.86 2dhi s LYS 25 Ca 0.37 -0.68 -0.31 0.00 -1.00 0.00 0.00 55.97 54.35 2dhi s LYS 25 Cb -0.11 -2.57 -0.12 0.00 -2.06 0.00 0.00 37.83 32.97 2dhi s LYS 25 CO 0.24 0.33 1.63 1.17 0.10 0.00 0.00 175.35 178.81 2dhi n LYS 26 N 3.20 2.69 -4.04 1.78 3.00 -1.26 -1.59 118.16 121.93 2dhi n LYS 26 Ca -0.18 0.96 -0.08 0.00 -0.00 0.00 0.00 58.31 59.01 2dhi n LYS 26 Cb 0.53 -2.76 -0.10 0.00 0.00 0.00 0.00 35.03 32.69 2dhi n LYS 26 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2dhi s ASN 27 N 0.71 0.39 -0.34 3.14 0.02 0.15 -4.85 114.94 114.15 2dhi s ASN 27 Ca 0.68 -0.78 -0.10 0.00 -1.02 0.00 0.00 52.86 51.64 2dhi s ASN 27 Cb -0.51 0.15 0.01 0.00 0.02 0.00 0.00 41.25 40.93 2dhi s ASN 27 CO 0.43 -0.47 0.17 0.86 0.02 0.00 0.00 177.10 178.11 2dhi s TRP 28 N -2.84 3.21 0.17 2.20 -0.11 -0.95 -1.54 118.94 119.08 2dhi s TRP 28 Ca -0.03 -0.87 0.04 0.00 1.22 0.00 0.00 56.10 56.46 2dhi s TRP 28 Cb 0.00 -2.38 -0.03 0.00 -1.50 0.00 0.00 33.47 29.56 2dhi s TRP 28 CO -0.06 -0.58 0.26 -0.06 -4.62 0.00 0.00 176.95 171.89 2dhi s PHE 29 N 1.56 3.39 -0.28 5.86 0.08 -1.16 0.14 117.98 127.56 2dhi s PHE 29 Ca 0.03 0.05 -0.06 0.00 0.12 0.00 0.00 56.93 57.07 2dhi s PHE 29 Cb -0.18 -1.60 0.14 0.00 -0.57 0.00 0.00 43.02 40.81 2dhi s PHE 29 CO 0.06 0.50 0.57 -0.51 -0.10 0.00 0.00 175.22 175.74 2dhi s ASP 30 N -3.36 -0.93 0.15 1.36 1.11 -0.71 -3.27 116.67 111.03 2dhi s ASP 30 Ca 0.34 1.10 -0.22 0.00 0.18 0.00 0.00 52.55 53.95 2dhi s ASP 30 Cb -0.10 1.97 -0.08 0.00 1.07 0.00 0.00 42.92 45.78 2dhi s ASP 30 CO 0.27 -0.24 0.69 -0.22 1.18 0.00 0.00 175.17 176.85 2dhi s LEU 31 N 2.80 4.51 0.47 1.23 2.96 -0.96 -2.14 118.68 127.54 2dhi s LEU 31 Ca 0.06 1.46 0.04 0.00 -0.22 0.00 0.00 54.13 55.46 2dhi s LEU 31 Cb -0.13 -3.24 0.02 0.00 0.50 0.00 0.00 46.19 43.33 2dhi s LEU 31 CO -0.18 0.19 0.66 0.26 -1.32 0.00 0.00 176.35 175.95 2dhi s TRP 32 N -1.24 2.94 0.07 5.38 0.52 0.22 0.90 118.94 127.73 2dhi s TRP 32 Ca 0.35 -0.11 0.21 0.00 0.02 0.00 0.00 56.10 56.58 2dhi s TRP 32 Cb -0.20 -2.48 0.70 0.00 -1.15 0.00 0.00 33.47 30.34 2dhi s TRP 32 CO 0.23 -0.55 1.73 1.03 0.02 0.00 0.00 176.95 179.41 2dhi h SER 33 N 0.39 0.00 0.17 2.95 0.87 -1.85 -2.69 113.55 113.38 2dhi h SER 33 Ca -0.43 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 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 0.51 0.30 -0.10 0.47 -0.53 0.00 0.00 176.83 177.47 2dhi n ASP 34 N -3.38 0.90 0.00 6.23 8.00 -1.26 -4.93 116.55 122.11 2dhi n ASP 34 Ca 0.00 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.50 2dhi n ASP 34 Cb 0.50 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2dhi n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dhi n GLY 35 N 1.23 2.78 3.58 0.44 0.00 -1.01 -4.96 105.19 107.25 2dhi n GLY 35 Ca 0.16 -0.58 -0.48 0.00 0.00 0.00 0.00 46.02 45.12 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 1.32 -5.07 1.61 8.25 -1.26 -3.81 115.22 116.26 2dhi n HIS 36 Ca 0.00 0.67 -0.32 0.00 -0.26 0.00 0.00 57.72 57.81 2dhi n HIS 36 Cb 0.00 -2.28 -0.16 0.00 1.12 0.00 0.00 29.99 28.67 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 0.64 2.26 -0.03 2.41 2.96 -0.14 -0.61 118.68 126.16 2dhi s LEU 37 Ca 0.72 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 54.16 2dhi s LEU 37 Cb -0.84 -1.47 0.01 0.00 0.50 0.00 0.00 46.19 44.39 2dhi s LEU 37 CO 0.52 0.16 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.99 2dhi s ILE 38 N 0.37 0.80 0.12 6.68 1.01 -0.91 -1.19 121.20 128.09 2dhi s ILE 38 Ca -0.16 -0.35 0.09 0.00 0.00 0.00 0.00 60.65 60.23 2dhi s ILE 38 Cb -0.17 -0.73 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 2dhi s ILE 38 CO 0.08 0.26 -0.22 -0.72 0.00 0.00 0.00 174.94 174.33 2dhi s TYR 39 N 0.33 1.92 0.42 3.97 1.13 -1.12 -1.74 117.35 122.25 2dhi s TYR 39 Ca -0.05 -0.41 0.07 0.00 -1.41 0.00 0.00 57.07 55.26 2dhi s TYR 39 Cb -0.10 -1.03 -0.05 0.00 -1.10 0.00 0.00 41.96 39.67 2dhi s TYR 39 CO 0.01 0.26 0.16 0.71 -2.51 0.00 0.00 175.55 174.18 2dhi s TYR 40 N -1.25 2.54 0.12 -3.49 1.51 0.12 -1.71 117.35 115.19 2dhi s TYR 40 Ca 0.09 -0.62 -0.07 0.00 -1.01 0.00 0.00 57.07 55.46 2dhi s TYR 40 Cb -0.09 -1.93 -0.11 0.00 -0.11 0.00 0.00 41.96 39.72 2dhi s TYR 40 CO 0.05 0.19 1.30 0.22 -1.11 0.00 0.00 175.55 176.20 2dhi h ASP 41 N 1.44 0.67 -5.42 2.29 1.82 -1.28 -2.53 116.42 113.41 2dhi h ASP 41 Ca -0.43 -0.51 -0.17 0.00 -0.39 0.00 0.00 57.03 55.54 2dhi h ASP 41 Cb 1.25 -0.20 -0.11 0.00 0.68 0.00 0.00 39.33 40.95 2dhi h ASP 41 CO 0.71 1.30 -0.29 1.51 -1.61 0.00 0.00 179.24 180.85 2dhi s ASP 42 N -7.12 0.24 0.54 2.28 1.47 -1.26 -4.58 116.67 108.24 2dhi s ASP 42 Ca -0.07 -1.21 0.30 0.00 1.18 0.00 0.00 52.55 52.75 2dhi s ASP 42 Cb 0.09 0.54 1.62 0.00 -0.34 0.00 0.00 42.92 44.83 2dhi s ASP 42 CO 0.88 -1.08 1.90 -0.61 0.68 0.00 0.00 175.17 176.94 2dhi h GLN 43 N 2.33 0.00 0.00 2.11 -0.00 -1.98 0.13 115.11 117.71 2dhi h GLN 43 Ca -0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.35 2dhi h GLN 43 Cb 1.25 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.73 2dhi h GLN 43 CO 0.41 0.00 -0.01 1.79 0.00 0.00 0.00 178.83 181.03 2dhi h THR 44 N 0.00 0.02 -3.93 2.39 1.35 -1.99 -3.46 112.91 107.29 2dhi h THR 44 Ca 0.00 -0.41 -0.28 0.00 -0.55 0.00 0.00 66.41 65.17 2dhi h THR 44 Cb 0.33 1.40 -0.02 0.00 -1.73 0.00 0.00 68.15 68.14 2dhi h THR 44 CO 0.00 0.01 -0.37 0.54 -0.25 0.00 0.00 175.52 175.45 2dhi n ARG 45 N -3.10 -2.39 -0.01 4.72 1.74 0.47 -4.83 116.66 113.26 2dhi n ARG 45 Ca -0.00 0.64 -0.15 0.00 -0.77 0.00 0.00 57.85 57.56 2dhi n ARG 45 Cb 0.26 -5.26 -0.14 0.00 -1.02 0.00 0.00 32.46 26.29 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 -2.96 0.70 -3.61 5.56 1.13 -1.26 -4.70 117.38 112.24 2dhi n GLN 46 Ca -0.14 0.28 -0.40 0.00 -1.94 0.00 0.00 57.00 54.80 2dhi n GLN 46 Cb 0.61 -1.75 -0.09 0.00 0.11 0.00 0.00 30.24 29.12 2dhi n GLN 46 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2dhi s SER 47 N -6.58 5.62 -0.52 1.08 0.15 -1.26 -5.04 113.70 107.16 2dhi s SER 47 Ca -0.14 -2.25 -0.27 0.00 0.70 0.00 0.00 55.95 53.99 2dhi s SER 47 Cb 0.07 -1.96 -0.03 0.00 -1.71 0.00 0.00 66.02 62.39 2dhi s SER 47 CO 0.80 -0.57 2.01 -0.63 1.20 0.00 0.00 173.24 176.04 2dhi s ILE 48 N 0.84 3.27 0.10 6.45 1.01 -1.26 -0.80 121.20 130.81 2dhi s ILE 48 Ca 0.10 0.19 -0.33 0.00 0.00 0.00 0.00 60.65 60.62 2dhi s ILE 48 Cb -0.22 -3.61 -0.14 0.00 0.01 0.00 0.00 42.46 38.50 2dhi s ILE 48 CO -0.03 -0.55 1.52 -0.33 0.00 0.00 0.00 174.94 175.55 2dhi h GLU 49 N 15.82 -0.67 -2.22 2.79 4.39 -1.59 -3.48 114.58 129.63 2dhi h GLU 49 Ca -0.27 0.05 0.25 0.00 0.34 0.00 0.00 59.36 59.72 2dhi h GLU 49 Cb 1.19 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 29.93 2dhi h GLU 49 CO 1.16 -0.45 0.71 0.34 -1.16 0.00 0.00 179.01 179.62 2dhi s ASP 50 N -4.53 -0.02 -0.03 1.42 2.15 -1.21 -5.06 116.67 109.39 2dhi s ASP 50 Ca -0.15 -0.42 -0.01 0.00 0.43 0.00 0.00 52.55 52.40 2dhi s ASP 50 Cb 0.06 0.34 0.02 0.00 -0.30 0.00 0.00 42.92 43.04 2dhi s ASP 50 CO 0.57 -0.66 0.06 -0.75 -0.17 0.00 0.00 175.17 174.22 2dhi s LYS 51 N -2.28 0.01 -0.13 4.34 2.20 -1.26 -2.81 119.74 119.81 2dhi s LYS 51 Ca 0.22 0.19 -0.13 0.00 -0.36 0.00 0.00 55.97 55.88 2dhi s LYS 51 Cb -0.01 -0.15 0.04 0.00 -1.51 0.00 0.00 37.83 36.20 2dhi s LYS 51 CO 0.02 -0.12 0.37 0.08 -0.36 0.00 0.00 175.35 175.34 2dhi s VAL 52 N 0.78 0.00 0.68 4.02 1.01 -0.33 -5.02 120.40 121.54 2dhi s VAL 52 Ca -0.06 -0.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.81 2dhi s VAL 52 Cb -0.09 -0.53 0.04 0.00 0.00 0.00 0.00 36.38 35.80 2dhi s VAL 52 CO -0.03 -0.02 1.01 -2.28 0.00 0.00 0.00 175.10 173.78 2dhi s HIS 53 N 0.09 3.11 0.00 5.22 2.46 -1.26 -0.97 115.29 123.93 2dhi s HIS 53 Ca -0.01 0.65 0.00 0.00 0.47 0.00 0.00 55.06 56.17 2dhi s HIS 53 Cb -0.03 -3.05 0.00 0.00 -0.13 0.00 0.00 32.58 29.37 2dhi s HIS 53 CO 0.01 -1.21 0.00 -1.33 -2.47 0.00 0.00 174.74 169.74 2dhi n MET 54 N -2.86 0.00 0.00 2.88 2.81 -1.25 -2.04 117.12 116.66 2dhi n MET 54 Ca 0.07 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 56.01 2dhi n MET 54 Cb 0.59 -0.42 0.34 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 -2.48 0.49 0.00 0.03 -0.04 -1.26 -0.67 135.00 131.07 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 -0.11 0.52 0.31 -1.26 -4.90 118.33 112.02 2dhi n VAL 56 Ca 0.09 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.18 2dhi n VAL 56 Cb 0.04 -1.30 -0.11 0.00 -0.91 0.00 0.00 33.84 31.56 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 1.88 -4.65 4.52 8.00 -1.22 -4.81 116.55 117.38 2dhi n ASP 57 Ca 0.00 0.40 -0.43 0.00 0.71 0.00 0.00 54.79 55.48 2dhi n ASP 57 Cb 0.45 -0.94 -0.02 0.00 -0.02 0.00 0.00 41.12 40.59 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 5.84 1.37 -4.18 0.00 -5.35 -0.16 -4.35 119.36 112.54 2dhi n ILE 59 Ca 0.16 -0.84 -0.11 0.00 -0.27 0.00 0.00 62.75 61.68 2dhi n ILE 59 Cb 0.45 -0.50 -0.10 0.00 -1.74 0.00 0.00 39.64 37.75 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 0.52 -0.19 7.28 2.47 -1.22 -5.06 114.94 113.23 2dhi s ASN 60 Ca -0.09 -1.22 -0.04 0.00 0.42 0.00 0.00 52.86 51.93 2dhi s ASN 60 Cb 0.06 0.26 0.06 0.00 -1.45 0.00 0.00 41.25 40.18 2dhi s ASN 60 CO 0.83 -0.71 0.05 -0.63 -3.72 0.00 0.00 177.10 172.93 2dhi s ILE 61 N -3.96 0.32 -0.04 -5.21 1.01 -1.26 -2.88 121.20 109.17 2dhi s ILE 61 Ca 0.26 -0.44 -0.03 0.00 0.00 0.00 0.00 60.65 60.44 2dhi s ILE 61 Cb 0.07 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 2dhi s ILE 61 CO 0.04 -0.24 0.12 -0.13 0.00 0.00 0.00 174.94 174.73 2dhi s ARG 62 N 1.95 3.26 -0.03 2.79 0.52 -0.92 -5.00 118.95 121.52 2dhi s ARG 62 Ca 0.00 -0.35 -0.01 0.00 -0.52 0.00 0.00 55.73 54.86 2dhi s ARG 62 Cb -0.17 -3.00 0.03 0.00 0.52 0.00 0.00 34.95 32.33 2dhi s ARG 62 CO -0.09 0.69 0.05 0.95 0.02 0.00 0.00 175.30 176.93 2dhi s THR 63 N -1.17 -0.05 0.00 0.02 -4.23 -1.26 -0.13 115.64 108.82 2dhi s THR 63 Ca 0.22 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 2dhi s THR 63 Cb -0.12 -0.11 0.00 0.00 1.34 0.00 0.00 72.50 73.61 2dhi s THR 63 CO 0.12 0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.89 2dhi n GLY 64 N 4.04 2.46 0.08 3.99 0.00 -1.03 -3.23 105.19 111.49 2dhi n GLY 64 Ca -0.26 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 2dhi n GLY 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2dhi h HIS 65 N 0.00 0.15 -0.98 1.61 3.86 -1.94 -2.61 115.15 115.23 2dhi h HIS 65 Ca 0.00 0.00 0.35 0.00 -1.16 0.00 0.00 60.37 59.56 2dhi h HIS 65 Cb 0.00 -0.05 -0.17 0.00 1.06 0.00 0.00 27.41 28.25 2dhi h HIS 65 CO 0.00 0.10 0.41 0.93 0.86 0.00 0.00 177.93 180.23 2dhi h GLU 66 N 0.15 0.10 -6.53 2.45 4.39 -1.94 -3.41 114.58 109.78 2dhi h GLU 66 Ca 0.04 -0.01 -0.47 0.00 0.34 0.00 0.00 59.36 59.26 2dhi h GLU 66 Cb -0.01 -0.02 0.24 0.00 -0.10 0.00 0.00 28.75 28.86 2dhi h GLU 66 CO -0.01 0.06 -1.40 0.00 -1.16 0.00 0.00 179.01 176.51 2dhi n ARG 68 N -0.98 -1.22 -0.57 0.00 0.63 -1.26 -4.70 116.66 108.57 2dhi n ARG 68 Ca 0.01 -0.39 -0.03 0.00 -0.92 0.00 0.00 57.85 56.52 2dhi n ARG 68 Cb 0.64 -0.67 -0.04 0.00 0.45 0.00 0.00 32.46 32.84 2dhi n ARG 68 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2dhi n ASP 69 N -2.09 4.94 -3.14 6.15 9.92 -1.26 -4.86 116.55 126.22 2dhi n ASP 69 Ca 0.04 -2.33 -0.12 0.00 -0.53 0.00 0.00 54.79 51.84 2dhi n ASP 69 Cb 0.16 -1.11 0.07 0.00 -0.64 0.00 0.00 41.12 39.60 2dhi n ASP 69 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 2dhi n ILE 70 N 1.76 0.00 -3.78 0.53 -5.35 -1.26 -5.13 119.36 106.13 2dhi n ILE 70 Ca 0.09 -0.67 -0.13 0.00 -0.27 0.00 0.00 62.75 61.77 2dhi n ILE 70 Cb 0.55 -1.34 -0.11 0.00 -1.74 0.00 0.00 39.64 37.00 2dhi n ILE 70 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2dhi s GLN 71 N -3.93 0.40 0.69 6.28 -0.21 -1.26 -5.11 119.66 116.52 2dhi s GLN 71 Ca 0.34 0.24 -0.14 0.00 0.02 0.00 0.00 55.36 55.81 2dhi s GLN 71 Cb -0.02 0.19 0.01 0.00 1.00 0.00 0.00 33.01 34.20 2dhi s GLN 71 CO 0.23 -0.07 1.11 -1.25 -2.12 0.00 0.00 175.29 173.18 2dhi s PRO 72 N -0.21 2.66 0.00 2.91 0.04 -1.26 -5.06 135.00 134.08 2dhi s PRO 72 Ca -0.03 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.34 2dhi s PRO 72 Cb -0.03 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2dhi s PRO 72 CO 0.01 -1.35 0.00 -0.35 0.04 0.00 0.00 177.00 175.35 2dhi n PRO 73 N -2.70 -0.23 -3.06 0.56 -0.04 -1.26 -4.98 135.00 123.28 2dhi n PRO 73 Ca 0.10 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.17 2dhi n PRO 73 Cb 0.52 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.92 2dhi n PRO 73 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dhi s ASP 74 N -1.51 7.27 -1.15 3.54 1.11 -1.26 -3.90 116.67 120.78 2dhi s ASP 74 Ca 0.00 1.51 -0.03 0.00 0.18 0.00 0.00 52.55 54.21 2dhi s ASP 74 Cb 0.00 -2.46 0.00 0.00 1.07 0.00 0.00 42.92 41.54 2dhi s ASP 74 CO 0.00 0.19 0.33 0.61 1.18 0.00 0.00 175.17 177.48 2dhi n GLY 75 N 1.78 -0.19 3.12 0.21 0.00 -1.26 -5.01 105.19 103.84 2dhi n GLY 75 Ca -0.06 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 -5.21 0.28 0.39 1.61 -0.14 -1.25 -5.14 119.74 110.28 2dhi s LYS 76 Ca 0.16 0.48 -0.07 0.00 -1.36 0.00 0.00 55.97 55.19 2dhi s LYS 76 Cb -0.07 0.02 0.10 0.00 -1.68 0.00 0.00 37.83 36.20 2dhi s LYS 76 CO 0.20 -0.10 0.35 -0.35 -0.76 0.00 0.00 175.35 174.69 2dhi n PRO 77 N 3.60 -1.70 -0.06 -1.68 -0.04 -1.26 -4.61 135.00 129.24 2dhi n PRO 77 Ca -0.19 -0.56 -0.05 0.00 -0.04 0.00 0.00 63.50 62.66 2dhi n PRO 77 Cb 0.56 -0.52 -0.13 0.00 -0.04 0.00 0.00 33.50 33.37 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 -2.58 1.22 0.20 0.54 0.63 -1.26 -4.34 116.66 111.07 2dhi n ARG 78 Ca 0.05 -0.04 0.14 0.00 -0.92 0.00 0.00 57.85 57.08 2dhi n ARG 78 Cb 0.19 -1.41 0.67 0.00 0.45 0.00 0.00 32.46 32.36 2dhi n ARG 78 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2dhi h ASP 79 N 0.00 0.00 -0.37 6.15 3.32 -1.95 -0.94 116.42 122.63 2dhi h ASP 79 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2dhi h ASP 79 Cb 1.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.29 2dhi h ASP 79 CO 0.02 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.54 2dhi s LEU 81 N -1.02 4.48 -0.07 0.00 1.43 -0.36 -0.22 118.68 122.92 2dhi s LEU 81 Ca 0.25 1.43 -0.02 0.00 -1.03 0.00 0.00 54.13 54.76 2dhi s LEU 81 Cb 0.13 -3.27 0.04 0.00 0.03 0.00 0.00 46.19 43.12 2dhi s LEU 81 CO 0.17 0.17 0.06 -0.22 0.23 0.00 0.00 176.35 176.75 2dhi s LEU 82 N -1.44 0.27 0.08 1.79 2.96 0.54 -2.47 118.68 120.41 2dhi s LEU 82 Ca 0.36 -0.10 0.09 0.00 -0.22 0.00 0.00 54.13 54.26 2dhi s LEU 82 Cb -0.20 -0.22 -0.03 0.00 0.50 0.00 0.00 46.19 46.24 2dhi s LEU 82 CO 0.22 -0.26 -0.22 -1.58 -1.32 0.00 0.00 176.35 173.19 2dhi s GLN 83 N 2.13 1.78 -0.14 1.98 0.74 0.82 0.86 119.66 127.82 2dhi s GLN 83 Ca 0.04 -1.15 0.00 0.00 0.05 0.00 0.00 55.36 54.31 2dhi s GLN 83 Cb -0.13 -2.05 0.03 0.00 1.10 0.00 0.00 33.01 31.95 2dhi s GLN 83 CO -0.05 0.50 -0.11 0.42 -0.55 0.00 0.00 175.29 175.51 2dhi s ILE 84 N -0.98 1.33 -0.15 -2.34 -1.09 -0.17 -2.17 121.20 115.63 2dhi s ILE 84 Ca 0.15 -0.53 -0.11 0.00 -2.23 0.00 0.00 60.65 57.92 2dhi s ILE 84 Cb -0.10 -1.32 -0.05 0.00 -1.58 0.00 0.00 42.46 39.41 2dhi s ILE 84 CO 0.06 0.37 0.20 -0.69 -1.23 0.00 0.00 174.94 173.65 2dhi s VAL 85 N 1.58 5.37 0.71 2.92 1.01 -1.14 -0.71 120.40 130.14 2dhi s VAL 85 Ca 0.04 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2dhi s VAL 85 Cb -0.13 -3.52 0.14 0.00 0.00 0.00 0.00 36.38 32.87 2dhi s VAL 85 CO -0.09 0.48 0.97 0.00 0.00 0.00 0.00 175.10 176.46 2dhi n ARG 87 N -2.79 0.00 0.00 0.00 1.74 -0.18 -3.86 116.66 111.57 2dhi n ARG 87 Ca 0.16 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.65 2dhi n ARG 87 Cb 0.58 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 2dhi n ARG 87 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2dhi n ASP 88 N -1.64 0.00 0.00 0.55 8.00 -1.26 -4.86 116.55 117.34 2dhi n ASP 88 Ca 0.00 0.98 0.00 0.00 0.71 0.00 0.00 54.79 56.48 2dhi n ASP 88 Cb 0.00 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 2dhi n ASP 88 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dhi n GLY 89 N -1.00 0.00 2.44 0.44 0.00 -1.25 -5.13 105.19 100.70 2dhi n GLY 89 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.08 0.00 -4.86 1.61 4.81 -1.26 -4.39 118.16 113.99 2dhi n LYS 90 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 2dhi n LYS 90 Cb 0.00 -1.03 -0.17 0.00 0.02 0.00 0.00 35.03 33.85 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 0.38 1.53 -0.21 3.15 2.01 -1.26 -0.63 115.64 120.61 2dhi s THR 91 Ca 0.64 -0.72 -0.07 0.00 0.31 0.00 0.00 61.69 61.85 2dhi s THR 91 Cb -0.90 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 2dhi s THR 91 CO 0.42 0.44 0.07 -0.63 -0.69 0.00 0.00 174.62 174.24 2dhi s ILE 92 N 0.47 4.61 -0.37 1.82 1.01 0.11 -4.94 121.20 123.92 2dhi s ILE 92 Ca -0.15 -0.09 -0.15 0.00 0.00 0.00 0.00 60.65 60.26 2dhi s ILE 92 Cb -0.16 -3.11 -0.00 0.00 0.01 0.00 0.00 42.46 39.20 2dhi s ILE 92 CO 0.06 0.40 0.35 -0.44 0.00 0.00 0.00 174.94 175.31 2dhi s SER 93 N 0.89 6.15 0.24 3.58 0.01 -1.26 -0.99 113.70 122.32 2dhi s SER 93 Ca 0.04 -0.47 0.11 0.00 1.31 0.00 0.00 55.95 56.94 2dhi s SER 93 Cb -0.14 -2.19 -0.05 0.00 0.21 0.00 0.00 66.02 63.86 2dhi s SER 93 CO 0.03 -0.39 -0.18 -0.76 0.41 0.00 0.00 173.24 172.34 2dhi s LEU 94 N 1.94 2.64 -0.02 2.44 1.43 0.25 -1.34 118.68 126.02 2dhi s LEU 94 Ca 0.10 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 2dhi s LEU 94 Cb -0.17 -1.24 0.02 0.00 0.03 0.00 0.00 46.19 44.82 2dhi s LEU 94 CO 0.12 0.07 0.01 0.00 0.23 0.00 0.00 176.35 176.78 2dhi s ALA 96 N 0.71 3.72 0.23 0.00 0.00 0.69 -2.01 121.76 125.10 2dhi s ALA 96 Ca -0.06 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 50.89 2dhi s ALA 96 Cb -0.09 -2.13 0.24 0.00 0.00 0.00 0.00 23.12 21.14 2dhi s ALA 96 CO -0.02 -0.17 1.73 0.93 0.00 0.00 0.00 175.76 178.23 2dhi h GLU 97 N 0.60 0.92 -2.77 0.00 5.08 -1.86 -3.46 114.58 113.08 2dhi h GLU 97 Ca -0.48 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 57.57 2dhi h GLU 97 Cb 1.23 -0.11 -0.16 0.00 0.50 0.00 0.00 28.75 30.21 2dhi h GLU 97 CO 0.60 0.89 0.03 -1.12 -1.00 0.00 0.00 179.01 178.40 2dhi s SER 98 N -6.59 -0.43 0.30 1.42 0.01 -1.26 -4.97 113.70 102.17 2dhi s SER 98 Ca -0.10 0.18 0.06 0.00 1.31 0.00 0.00 55.95 57.39 2dhi s SER 98 Cb 0.14 0.49 0.84 0.00 0.21 0.00 0.00 66.02 67.71 2dhi s SER 98 CO 0.83 -0.71 1.47 0.41 0.41 0.00 0.00 173.24 175.64 2dhi n THR 99 N 0.43 -0.39 -0.25 1.44 -1.04 -1.26 0.15 114.28 113.36 2dhi n THR 99 Ca -0.18 2.02 0.02 0.00 -2.04 0.00 0.00 64.05 63.86 2dhi n THR 99 Cb 0.60 -3.02 0.14 0.00 -1.82 0.00 0.00 70.33 66.23 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 0.44 0.31 8.00 3.32 -1.96 -0.55 116.42 125.98 2dhi h ASP 100 Ca 0.62 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.72 2dhi h ASP 100 Cb 1.39 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.94 2dhi h ASP 100 CO -0.84 0.24 -0.15 -0.78 -1.72 0.00 0.00 179.24 176.00 2dhi h ASP 101 N 0.58 -0.35 -0.19 6.45 1.82 0.10 -2.74 116.42 122.10 2dhi h ASP 101 Ca 0.36 -0.11 0.05 0.00 -0.39 0.00 0.00 57.03 56.94 2dhi h ASP 101 Cb 0.40 0.09 -0.07 0.00 0.68 0.00 0.00 39.33 40.43 2dhi h ASP 101 CO -0.28 -0.09 -0.29 0.00 -1.61 0.00 0.00 179.24 176.96 2dhi h LEU 103 N -0.33 0.30 0.26 0.00 3.38 -1.12 0.14 115.31 117.94 2dhi h LEU 103 Ca 0.12 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 2dhi h LEU 103 Cb 0.52 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2dhi h LEU 103 CO -0.38 0.01 -0.12 0.00 0.09 0.00 0.00 178.44 178.04 2dhi h ALA 104 N 1.68 -0.35 -0.34 1.53 0.00 -0.88 -0.92 119.26 119.99 2dhi h ALA 104 Ca 0.53 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.38 2dhi h ALA 104 Cb 0.98 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2dhi h ALA 104 CO -0.51 -0.69 0.20 -1.49 0.00 0.00 0.00 179.25 176.76 2dhi h TRP 105 N -0.35 0.38 0.46 0.00 4.06 -0.41 -2.23 115.95 117.86 2dhi h TRP 105 Ca -0.04 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.91 2dhi h TRP 105 Cb 0.27 -0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 28.29 2dhi h TRP 105 CO -0.06 0.22 -0.42 -0.22 -3.56 0.00 0.00 178.44 174.41 2dhi h LYS 106 N 0.41 -0.84 -0.99 0.49 3.64 -0.65 -0.47 116.57 118.15 2dhi h LYS 106 Ca 0.14 0.06 0.29 0.00 -1.27 0.00 0.00 60.65 59.86 2dhi h LYS 106 Cb 0.00 0.19 -0.14 0.00 -0.41 0.00 0.00 32.23 31.87 2dhi h LYS 106 CO -0.06 -0.56 0.55 0.74 -2.27 0.00 0.00 179.45 177.85 2dhi h PHE 107 N -0.87 0.92 -0.02 1.91 0.04 -1.11 0.24 116.94 118.05 2dhi h PHE 107 Ca -0.06 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 2dhi h PHE 107 Cb 0.74 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 38.65 2dhi h PHE 107 CO -0.19 -0.11 0.00 1.15 -0.60 0.00 0.00 178.31 178.57 2dhi h THR 108 N 0.39 1.19 -0.53 -1.55 2.02 -0.82 -2.64 112.91 110.98 2dhi h THR 108 Ca 0.69 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 2dhi h THR 108 Cb 1.50 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 69.41 2dhi h THR 108 CO -0.57 0.15 0.27 -0.07 0.37 0.00 0.00 175.52 175.67 2dhi h LEU 109 N -0.20 0.67 -2.63 2.58 3.38 0.81 0.19 115.31 120.11 2dhi h LEU 109 Ca 0.01 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.87 2dhi h LEU 109 Cb 0.24 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2dhi h LEU 109 CO 0.00 0.59 0.07 1.56 0.09 0.00 0.00 178.44 180.75 2dhi h GLN 110 N 0.70 0.00 0.05 1.13 4.20 -0.59 -1.74 115.11 118.87 2dhi h GLN 110 Ca 0.18 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.52 2dhi h GLN 110 Cb 0.08 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.82 2dhi h GLN 110 CO -0.03 0.00 -2.20 -3.47 -0.67 0.00 0.00 178.83 172.46 2dhi n ASP 111 N -3.36 1.79 0.30 1.46 2.03 -0.65 -3.94 116.55 114.19 2dhi n ASP 111 Ca -0.02 0.07 0.20 0.00 0.52 0.00 0.00 54.79 55.56 2dhi n ASP 111 Cb 0.15 -0.46 1.00 0.00 -0.72 0.00 0.00 41.12 41.09 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 0.03 0.00 0.87 1.67 4.64 0.08 -1.37 113.55 119.48 2dhi h SER 112 Ca -0.49 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.64 2dhi h SER 112 Cb 2.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 64.05 2dhi h SER 112 CO 0.01 0.00 -1.22 0.08 -0.87 0.00 0.00 176.83 174.83 2dhi h ARG 113 N 0.00 0.00 -1.55 4.77 0.11 -1.50 -3.36 114.38 112.85 2dhi h ARG 113 Ca 0.00 0.00 -0.64 0.00 0.10 0.00 0.00 59.98 59.44 2dhi h ARG 113 Cb 0.17 0.00 -0.37 0.00 1.11 0.00 0.00 29.97 30.88 2dhi h ARG 113 CO 0.00 0.54 -0.10 -2.37 0.10 0.00 0.00 179.97 178.14 2dhi n THR 114 N -3.10 2.83 -2.17 0.08 5.66 -0.53 -4.78 114.28 112.27 2dhi n THR 114 Ca -0.07 -4.54 -0.33 0.00 -3.05 0.00 0.00 64.05 56.06 2dhi n THR 114 Cb 0.90 -1.24 0.02 0.00 -1.55 0.00 0.00 70.33 68.46 2dhi n THR 114 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2dhi n SER 115 N -0.55 6.04 -1.41 1.09 7.64 -1.10 -4.96 113.62 120.36 2dhi n SER 115 Ca 0.46 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.56 2dhi n SER 115 Cb 0.57 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 2dhi n SER 115 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dhi n GLY 116 N -0.53 0.80 0.00 0.23 0.00 -1.26 -4.91 105.19 99.51 2dhi n GLY 116 Ca 0.47 -1.82 0.06 0.00 0.00 0.00 0.00 46.02 44.72 2dhi n GLY 116 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dhi n PRO 117 N 0.00 0.49 -1.46 1.61 -0.04 -1.26 -4.87 135.00 129.47 2dhi n PRO 117 Ca 0.00 0.00 -0.50 0.00 -0.04 0.00 0.00 63.50 62.96 2dhi n PRO 117 Cb 0.00 -1.37 -0.04 0.00 -0.04 0.00 0.00 33.50 32.05 2dhi n PRO 117 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dhi n SER 118 N -0.87 -0.42 -3.98 3.54 3.41 -1.26 -4.71 113.62 109.33 2dhi n SER 118 Ca 0.09 1.14 -0.45 0.00 -0.26 0.00 0.00 58.87 59.39 2dhi n SER 118 Cb 0.04 -1.01 -0.04 0.00 -0.26 0.00 0.00 64.21 62.94 2dhi n SER 118 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dhi n SER 119 N 1.82 -0.92 0.00 4.04 7.64 -1.26 -5.14 113.62 119.80 2dhi n SER 119 Ca 0.17 1.02 0.00 0.00 1.01 0.00 0.00 58.87 61.07 2dhi n SER 119 Cb 0.22 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 2dhi n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64