#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 4.45 -0.05 1.61 0.15 -1.26 -5.14 113.70 113.46 2dhi s SER 2 Ca 0.00 -1.01 0.00 0.00 0.70 0.00 0.00 55.95 55.64 2dhi s SER 2 Cb 0.00 -0.53 0.02 0.00 -1.71 0.00 0.00 66.02 63.81 2dhi s SER 2 CO 0.00 -0.47 -0.03 -0.94 1.20 0.00 0.00 173.24 173.00 2dhi s SER 3 N -3.88 1.10 0.00 5.45 1.04 -1.26 -4.95 113.70 111.21 2dhi s SER 3 Ca 0.40 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.72 2dhi s SER 3 Cb 0.02 -0.44 0.00 0.00 0.10 0.00 0.00 66.02 65.70 2dhi s SER 3 CO 0.22 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.96 2dhi n GLY 4 N 4.36 0.15 0.27 7.32 0.00 -1.26 -4.98 105.19 111.07 2dhi n GLY 4 Ca -0.20 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 45.82 2dhi n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dhi n SER 5 N -0.96 -0.19 -3.64 1.61 7.64 -1.26 -4.12 113.62 112.70 2dhi n SER 5 Ca 0.00 1.33 -0.13 0.00 1.01 0.00 0.00 58.87 61.08 2dhi n SER 5 Cb 0.00 -0.44 -0.12 0.00 -1.01 0.00 0.00 64.21 62.63 2dhi n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dhi s SER 6 N -5.10 0.28 0.08 6.43 1.04 -1.26 -5.14 113.70 110.03 2dhi s SER 6 Ca -0.11 0.62 -0.31 0.00 0.48 0.00 0.00 55.95 56.63 2dhi s SER 6 Cb 0.22 0.82 -0.06 0.00 0.10 0.00 0.00 66.02 67.09 2dhi s SER 6 CO 0.61 -0.24 1.23 -0.83 0.98 0.00 0.00 173.24 174.99 2dhi s GLY 7 N 2.46 2.34 -0.10 7.32 0.00 -1.26 -5.02 107.32 113.06 2dhi s GLY 7 Ca 0.01 0.91 -0.12 0.00 0.00 0.00 0.00 44.72 45.52 2dhi s GLY 7 CO -0.10 2.09 0.28 -1.36 0.00 0.00 0.00 173.10 174.01 2dhi s PHE 8 N 1.00 3.59 0.06 1.90 0.08 -1.26 -3.96 117.98 119.39 2dhi s PHE 8 Ca 0.59 0.70 -0.36 0.00 0.12 0.00 0.00 56.93 57.98 2dhi s PHE 8 Cb -0.31 -2.20 -0.20 0.00 -0.57 0.00 0.00 43.02 39.74 2dhi s PHE 8 CO 0.30 0.53 1.58 0.28 -0.10 0.00 0.00 175.22 177.80 2dhi h VAL 9 N 4.15 0.11 -3.30 -0.44 2.07 -1.49 -3.45 116.25 113.90 2dhi h VAL 9 Ca -0.49 -0.01 -0.22 0.00 0.82 0.00 0.00 66.70 66.81 2dhi h VAL 9 Cb 1.20 0.11 -0.29 0.00 -1.52 0.00 0.00 31.29 30.79 2dhi h VAL 9 CO 0.66 0.00 -0.57 -0.75 0.02 0.00 0.00 177.57 176.93 2dhi s LYS 10 N -5.99 0.13 -0.01 1.57 2.20 -1.26 -5.02 119.74 111.37 2dhi s LYS 10 Ca -0.19 0.31 0.03 0.00 -0.36 0.00 0.00 55.97 55.76 2dhi s LYS 10 Cb 0.02 -0.06 -0.01 0.00 -1.51 0.00 0.00 37.83 36.28 2dhi s LYS 10 CO 0.60 -0.10 -0.10 -1.54 -0.36 0.00 0.00 175.35 173.85 2dhi s SER 11 N 0.70 1.18 0.07 1.43 1.04 -1.26 -1.88 113.70 114.98 2dhi s SER 11 Ca -0.05 -0.18 -0.26 0.00 0.48 0.00 0.00 55.95 55.93 2dhi s SER 11 Cb -0.07 -0.16 0.09 0.00 0.10 0.00 0.00 66.02 65.98 2dhi s SER 11 CO -0.03 0.11 1.17 -0.83 0.98 0.00 0.00 173.24 174.64 2dhi s GLY 12 N -0.17 -0.12 0.01 7.32 0.00 -0.97 -5.04 107.32 108.34 2dhi s GLY 12 Ca 0.03 0.07 -0.16 0.00 0.00 0.00 0.00 44.72 44.66 2dhi s GLY 12 CO -0.00 2.73 0.46 -0.98 0.00 0.00 0.00 173.10 175.31 2dhi s TRP 13 N -2.29 3.73 -0.03 1.90 0.52 -1.26 -2.02 118.94 119.49 2dhi s TRP 13 Ca 0.22 1.06 -0.18 0.00 0.02 0.00 0.00 56.10 57.21 2dhi s TRP 13 Cb -0.00 -2.37 0.03 0.00 -1.15 0.00 0.00 33.47 29.99 2dhi s TRP 13 CO 0.01 0.59 0.40 -0.51 0.02 0.00 0.00 176.95 177.45 2dhi s LEU 14 N -0.93 0.49 0.45 2.99 1.43 -0.71 -4.89 118.68 117.51 2dhi s LEU 14 Ca 0.25 0.28 -0.19 0.00 -1.03 0.00 0.00 54.13 53.44 2dhi s LEU 14 Cb -0.17 1.56 -0.10 0.00 0.03 0.00 0.00 46.19 47.50 2dhi s LEU 14 CO 0.15 -0.46 0.95 -0.76 0.23 0.00 0.00 176.35 176.46 2dhi s LEU 15 N -1.19 3.84 -0.13 1.79 1.43 -0.28 -0.54 118.68 123.60 2dhi s LEU 15 Ca -0.12 1.63 -0.05 0.00 -1.03 0.00 0.00 54.13 54.56 2dhi s LEU 15 Cb -0.04 -4.50 0.06 0.00 0.03 0.00 0.00 46.19 41.74 2dhi s LEU 15 CO 0.05 -0.43 0.26 -0.60 0.23 0.00 0.00 176.35 175.86 2dhi s ARG 16 N -3.47 0.15 -0.57 1.70 3.52 0.08 -1.88 118.95 118.47 2dhi s ARG 16 Ca 0.61 0.73 -0.27 0.00 -0.13 0.00 0.00 55.73 56.66 2dhi s ARG 16 Cb -0.09 -0.04 0.03 0.00 -1.56 0.00 0.00 34.95 33.29 2dhi s ARG 16 CO 0.19 -0.28 1.13 -1.14 -0.81 0.00 0.00 175.30 174.39 2dhi s GLN 17 N 2.32 3.48 1.07 5.12 0.74 -0.10 -2.71 119.66 129.58 2dhi s GLN 17 Ca 0.00 0.14 -0.17 0.00 0.05 0.00 0.00 55.36 55.39 2dhi s GLN 17 Cb -0.12 -4.02 0.23 0.00 1.10 0.00 0.00 33.01 30.20 2dhi s GLN 17 CO -0.08 -1.61 1.17 -1.54 -0.55 0.00 0.00 175.29 172.67 2dhi s SER 18 N 2.89 2.09 -0.13 6.67 1.04 -1.19 -4.57 113.70 120.50 2dhi s SER 18 Ca 0.40 0.64 0.06 0.00 0.48 0.00 0.00 55.95 57.54 2dhi s SER 18 Cb -0.09 -0.93 -0.23 0.00 0.10 0.00 0.00 66.02 64.87 2dhi s SER 18 CO 0.24 -3.40 0.32 0.35 0.98 0.00 0.00 173.24 171.73 2dhi n THR 19 N -4.28 1.60 -0.00 2.02 -2.24 -1.26 -3.25 114.28 106.87 2dhi n THR 19 Ca 0.12 -0.73 -0.00 0.00 -2.27 0.00 0.00 64.05 61.16 2dhi n THR 19 Cb 0.59 -1.19 -0.00 0.00 -2.10 0.00 0.00 70.33 67.63 2dhi n THR 19 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2dhi h ILE 20 N 0.02 0.00 0.00 2.28 2.04 -2.00 -3.33 117.51 116.52 2dhi h ILE 20 Ca -0.42 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.12 2dhi h ILE 20 Cb 2.05 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 2dhi h ILE 20 CO 0.05 0.00 0.00 -0.07 0.00 0.00 0.00 178.15 178.13 2dhi h LEU 21 N -0.35 0.00 -2.99 1.44 3.38 -2.00 -3.46 115.31 111.34 2dhi h LEU 21 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.41 2dhi h LEU 21 Cb 0.02 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.67 2dhi h LEU 21 CO 0.01 0.00 -0.89 0.29 0.09 0.00 0.00 178.44 177.93 2dhi n LYS 22 N -2.44 -0.61 -3.65 1.13 5.02 -1.20 -4.92 118.16 111.49 2dhi n LYS 22 Ca 0.00 0.04 -0.11 0.00 -2.02 0.00 0.00 58.31 56.22 2dhi n LYS 22 Cb 0.15 -2.66 -0.05 0.00 -0.02 0.00 0.00 35.03 32.45 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 -7.10 1.01 -0.56 1.97 1.70 -1.26 -4.93 118.95 109.78 2dhi s ARG 23 Ca 0.22 -0.61 -0.28 0.00 -0.47 0.00 0.00 55.73 54.60 2dhi s ARG 23 Cb -0.12 0.44 0.03 0.00 -0.57 0.00 0.00 34.95 34.73 2dhi s ARG 23 CO 0.89 -0.38 1.15 -1.58 -1.08 0.00 0.00 175.30 174.30 2dhi s TRP 24 N -3.37 2.67 -0.00 5.89 0.52 -1.26 -3.20 118.94 120.19 2dhi s TRP 24 Ca 0.00 0.43 0.05 0.00 0.02 0.00 0.00 56.10 56.60 2dhi s TRP 24 Cb 0.01 -4.45 -0.03 0.00 -1.15 0.00 0.00 33.47 27.85 2dhi s TRP 24 CO -0.09 -1.49 -0.13 -1.59 0.02 0.00 0.00 176.95 173.67 2dhi s LYS 25 N 4.74 2.37 -0.00 4.98 -2.85 -1.10 -4.84 119.74 123.03 2dhi s LYS 25 Ca 0.43 -0.80 -0.30 0.00 -1.00 0.00 0.00 55.97 54.29 2dhi s LYS 25 Cb -0.08 -2.35 -0.04 0.00 -2.06 0.00 0.00 37.83 33.30 2dhi s LYS 25 CO 0.26 0.59 1.19 0.21 0.10 0.00 0.00 175.35 177.70 2dhi s LYS 26 N -1.19 4.40 0.36 1.78 2.47 -1.26 -0.74 119.74 125.55 2dhi s LYS 26 Ca 0.14 1.70 0.03 0.00 -1.56 0.00 0.00 55.97 56.29 2dhi s LYS 26 Cb -0.11 -3.47 -0.04 0.00 -1.46 0.00 0.00 37.83 32.76 2dhi s LYS 26 CO 0.04 -0.35 0.12 -0.80 0.16 0.00 0.00 175.35 174.52 2dhi s ASN 27 N 1.29 2.30 -0.29 1.43 -0.87 0.30 -4.91 114.94 114.19 2dhi s ASN 27 Ca 0.57 -1.56 -0.05 0.00 -1.57 0.00 0.00 52.86 50.24 2dhi s ASN 27 Cb -0.27 0.33 0.02 0.00 -0.02 0.00 0.00 41.25 41.31 2dhi s ASN 27 CO 0.25 -0.84 0.04 0.86 -2.57 0.00 0.00 177.10 174.85 2dhi s TRP 28 N -3.36 3.15 -0.02 2.20 -0.11 -0.88 -1.73 118.94 118.18 2dhi s TRP 28 Ca 0.30 -1.24 -0.00 0.00 1.22 0.00 0.00 56.10 56.37 2dhi s TRP 28 Cb 0.05 -2.20 -0.04 0.00 -1.50 0.00 0.00 33.47 29.78 2dhi s TRP 28 CO 0.15 -0.65 0.04 -0.06 -4.62 0.00 0.00 176.95 171.82 2dhi s PHE 29 N 1.43 3.21 -0.11 5.86 0.40 -0.86 0.12 117.98 128.04 2dhi s PHE 29 Ca 0.01 0.18 -0.05 0.00 -0.60 0.00 0.00 56.93 56.48 2dhi s PHE 29 Cb -0.18 -1.74 0.05 0.00 0.51 0.00 0.00 43.02 41.67 2dhi s PHE 29 CO 0.01 0.52 0.23 -0.51 0.70 0.00 0.00 175.22 176.16 2dhi s ASP 30 N -1.49 0.08 0.10 1.36 1.11 -0.10 -2.29 116.67 115.45 2dhi s ASP 30 Ca 0.20 0.50 -0.10 0.00 0.18 0.00 0.00 52.55 53.33 2dhi s ASP 30 Cb -0.12 0.47 -0.06 0.00 1.07 0.00 0.00 42.92 44.28 2dhi s ASP 30 CO 0.10 -0.20 0.41 -0.22 1.18 0.00 0.00 175.17 176.45 2dhi s LEU 31 N 1.77 4.33 0.20 1.23 2.96 -0.79 -1.39 118.68 127.00 2dhi s LEU 31 Ca -0.04 0.79 0.04 0.00 -0.22 0.00 0.00 54.13 54.70 2dhi s LEU 31 Cb -0.11 -3.07 -0.03 0.00 0.50 0.00 0.00 46.19 43.47 2dhi s LEU 31 CO -0.08 0.14 0.31 0.26 -1.32 0.00 0.00 176.35 175.66 2dhi s TRP 32 N -1.45 3.44 0.36 5.38 0.52 0.12 -1.40 118.94 125.91 2dhi s TRP 32 Ca 0.35 0.03 0.03 0.00 0.02 0.00 0.00 56.10 56.54 2dhi s TRP 32 Cb -0.14 -1.60 0.68 0.00 -1.15 0.00 0.00 33.47 31.27 2dhi s TRP 32 CO 0.19 0.48 2.01 0.66 0.02 0.00 0.00 176.95 180.31 2dhi h SER 33 N 1.65 0.68 0.74 2.95 4.64 -1.86 0.66 113.55 123.00 2dhi h SER 33 Ca -0.50 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2dhi h SER 33 Cb 1.21 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2dhi h SER 33 CO 0.64 0.49 0.00 -0.67 -0.87 0.00 0.00 176.83 176.42 2dhi n ASP 34 N -4.45 0.00 0.00 4.97 2.03 -1.26 -4.89 116.55 112.95 2dhi n ASP 34 Ca 0.07 0.41 0.00 0.00 0.52 0.00 0.00 54.79 55.78 2dhi n ASP 34 Cb 0.07 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 2dhi n ASP 34 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dhi n GLY 35 N 0.86 2.55 3.50 0.27 0.00 0.22 -4.96 105.19 107.64 2dhi n GLY 35 Ca 0.07 -0.70 -0.51 0.00 0.00 0.00 0.00 46.02 44.87 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 0.56 -4.99 1.61 8.25 -1.26 -4.05 115.22 115.34 2dhi n HIS 36 Ca 0.00 0.88 -0.32 0.00 -0.26 0.00 0.00 57.72 58.02 2dhi n HIS 36 Cb 0.00 -2.12 -0.16 0.00 1.12 0.00 0.00 29.99 28.83 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 1.17 2.42 -0.02 2.41 2.96 -0.40 0.15 118.68 127.38 2dhi s LEU 37 Ca 0.75 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 54.24 2dhi s LEU 37 Cb -0.99 -1.52 0.00 0.00 0.50 0.00 0.00 46.19 44.18 2dhi s LEU 37 CO 0.55 0.16 -0.07 -0.63 -1.32 0.00 0.00 176.35 175.05 2dhi s ILE 38 N 0.34 0.57 0.10 6.68 1.01 -0.48 -1.01 121.20 128.41 2dhi s ILE 38 Ca -0.15 -0.26 0.07 0.00 0.00 0.00 0.00 60.65 60.32 2dhi s ILE 38 Cb -0.17 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 2dhi s ILE 38 CO 0.07 0.18 -0.19 -0.72 0.00 0.00 0.00 174.94 174.29 2dhi s TYR 39 N 0.17 1.66 0.40 3.97 1.13 -1.11 -0.92 117.35 122.64 2dhi s TYR 39 Ca -0.02 -0.44 0.08 0.00 -1.41 0.00 0.00 57.07 55.28 2dhi s TYR 39 Cb -0.07 -0.90 -0.07 0.00 -1.10 0.00 0.00 41.96 39.82 2dhi s TYR 39 CO -0.00 0.19 0.03 0.71 -2.51 0.00 0.00 175.55 173.97 2dhi s TYR 40 N -1.34 2.53 0.05 -3.49 1.51 0.12 -1.01 117.35 115.72 2dhi s TYR 40 Ca 0.06 -0.61 -0.19 0.00 -1.01 0.00 0.00 57.07 55.32 2dhi s TYR 40 Cb -0.09 -1.74 -0.13 0.00 -0.11 0.00 0.00 41.96 39.88 2dhi s TYR 40 CO 0.04 0.42 1.34 0.22 -1.11 0.00 0.00 175.55 176.46 2dhi h ASP 41 N 1.74 0.51 -5.83 2.29 1.82 -1.70 -2.34 116.42 112.90 2dhi h ASP 41 Ca -0.43 -0.51 -0.42 0.00 -0.39 0.00 0.00 57.03 55.28 2dhi h ASP 41 Cb 1.24 -0.15 -0.13 0.00 0.68 0.00 0.00 39.33 40.98 2dhi h ASP 41 CO 0.76 0.92 -0.51 1.51 -1.61 0.00 0.00 179.24 180.31 2dhi s ASP 42 N -6.32 1.35 0.00 2.28 1.47 -1.26 -4.46 116.67 109.73 2dhi s ASP 42 Ca -0.13 -1.68 0.04 0.00 1.18 0.00 0.00 52.55 51.96 2dhi s ASP 42 Cb 0.06 0.52 0.18 0.00 -0.34 0.00 0.00 42.92 43.35 2dhi s ASP 42 CO 0.78 -1.03 1.07 0.00 0.68 0.00 0.00 175.17 176.68 2dhi n GLN 43 N -0.55 0.02 0.20 2.11 -0.00 -1.26 -1.20 117.38 116.70 2dhi n GLN 43 Ca 0.06 0.37 0.13 0.00 -0.00 0.00 0.00 57.00 57.56 2dhi n GLN 43 Cb 0.63 -1.50 0.34 0.00 -0.00 0.00 0.00 30.24 29.71 2dhi n GLN 43 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.06 178.85 2dhi h THR 44 N 0.00 0.00 -6.55 -0.39 1.35 -1.99 -3.47 112.91 101.87 2dhi h THR 44 Ca 0.00 -0.75 -0.52 0.00 -0.55 0.00 0.00 66.41 64.59 2dhi h THR 44 Cb 0.06 1.73 -0.12 0.00 -1.73 0.00 0.00 68.15 68.09 2dhi h THR 44 CO 0.00 0.00 -0.81 0.54 -0.25 0.00 0.00 175.52 175.00 2dhi n ARG 45 N -2.87 -4.04 -0.10 4.72 1.74 -0.34 -4.85 116.66 110.92 2dhi n ARG 45 Ca 0.04 0.46 -0.10 0.00 -0.77 0.00 0.00 57.85 57.47 2dhi n ARG 45 Cb 0.45 -5.17 -0.16 0.00 -1.02 0.00 0.00 32.46 26.56 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 -4.49 0.69 -3.84 5.56 6.02 -1.26 -4.74 117.38 115.31 2dhi n GLN 46 Ca 0.01 0.01 -0.32 0.00 -0.01 0.00 0.00 57.00 56.69 2dhi n GLN 46 Cb 0.53 -1.53 -0.12 0.00 1.02 0.00 0.00 30.24 30.15 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 -5.57 4.85 -0.24 1.08 0.15 -1.26 -5.06 113.70 107.64 2dhi s SER 47 Ca -0.11 -3.26 -0.31 0.00 0.70 0.00 0.00 55.95 52.97 2dhi s SER 47 Cb 0.06 -1.72 -0.08 0.00 -1.71 0.00 0.00 66.02 62.57 2dhi s SER 47 CO 0.82 -0.22 2.17 -0.38 1.20 0.00 0.00 173.24 176.82 2dhi n ILE 48 N 2.84 0.33 0.38 6.45 5.41 -1.26 -1.96 119.36 131.55 2dhi n ILE 48 Ca 0.11 -0.34 -0.17 0.00 1.00 0.00 0.00 62.75 63.34 2dhi n ILE 48 Cb 0.35 -2.15 -0.09 0.00 -0.71 0.00 0.00 39.64 37.04 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 13.34 -1.03 -1.60 0.38 4.39 -1.34 -3.47 114.58 125.24 2dhi h GLU 49 Ca -0.37 0.07 0.21 0.00 0.34 0.00 0.00 59.36 59.61 2dhi h GLU 49 Cb 1.27 0.23 -0.19 0.00 -0.10 0.00 0.00 28.75 29.96 2dhi h GLU 49 CO 0.98 -0.69 0.74 0.34 -1.16 0.00 0.00 179.01 179.22 2dhi s ASP 50 N -3.91 -0.19 -0.06 1.42 2.15 -1.21 -5.05 116.67 109.82 2dhi s ASP 50 Ca -0.17 0.04 0.04 0.00 0.43 0.00 0.00 52.55 52.90 2dhi s ASP 50 Cb 0.03 0.19 -0.00 0.00 -0.30 0.00 0.00 42.92 42.84 2dhi s ASP 50 CO 0.53 -0.30 -0.20 -0.75 -0.17 0.00 0.00 175.17 174.28 2dhi s LYS 51 N -2.31 2.26 -0.18 4.34 2.20 -1.26 -2.74 119.74 122.04 2dhi s LYS 51 Ca 0.07 -0.72 -0.14 0.00 -0.36 0.00 0.00 55.97 54.82 2dhi s LYS 51 Cb -0.01 -1.86 0.05 0.00 -1.51 0.00 0.00 37.83 34.51 2dhi s LYS 51 CO -0.05 0.23 0.47 0.08 -0.36 0.00 0.00 175.35 175.72 2dhi s VAL 52 N 0.15 -0.01 0.78 4.02 1.01 -0.18 -5.02 120.40 121.16 2dhi s VAL 52 Ca -0.09 0.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 2dhi s VAL 52 Cb -0.14 -0.68 0.06 0.00 0.00 0.00 0.00 36.38 35.62 2dhi s VAL 52 CO 0.04 0.01 1.14 -2.28 0.00 0.00 0.00 175.10 174.01 2dhi s HIS 53 N 0.72 3.04 0.00 5.22 2.46 -1.26 -1.27 115.29 124.19 2dhi s HIS 53 Ca -0.04 0.92 0.00 0.00 0.47 0.00 0.00 55.06 56.41 2dhi s HIS 53 Cb -0.05 -3.28 0.00 0.00 -0.13 0.00 0.00 32.58 29.12 2dhi s HIS 53 CO -0.05 -1.61 0.00 -1.33 -2.47 0.00 0.00 174.74 169.28 2dhi n MET 54 N -3.25 0.00 0.00 2.88 2.81 -1.26 -2.18 117.12 116.12 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 -0.41 0.29 0.00 -0.71 0.00 0.00 33.22 32.97 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 -0.97 135.00 130.79 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 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 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 0.05 -0.10 0.52 0.31 -1.26 -4.91 118.33 112.13 2dhi n VAL 56 Ca 0.07 0.02 -0.17 0.00 -0.01 0.00 0.00 64.34 64.24 2dhi n VAL 56 Cb 0.03 -1.39 -0.09 0.00 -0.91 0.00 0.00 33.84 31.49 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 -2.88 4.52 5.19 -1.58 -3.46 116.42 118.21 2dhi h ASP 57 Ca 0.00 -0.39 -0.54 0.00 -0.62 0.00 0.00 57.03 55.48 2dhi h ASP 57 Cb 0.85 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.36 2dhi h ASP 57 CO 0.00 1.30 0.86 0.00 -3.12 0.00 0.00 179.24 178.27 2dhi n ILE 59 N 4.67 0.29 -3.65 0.00 -5.35 -0.49 -4.40 119.36 110.42 2dhi n ILE 59 Ca 0.13 -0.39 -0.14 0.00 -0.27 0.00 0.00 62.75 62.08 2dhi n ILE 59 Cb 0.43 -0.09 -0.07 0.00 -1.74 0.00 0.00 39.64 38.17 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 -3.91 -0.37 -0.22 7.28 2.47 -1.24 -5.04 114.94 113.92 2dhi s ASN 60 Ca -0.05 0.23 0.01 0.00 0.42 0.00 0.00 52.86 53.47 2dhi s ASN 60 Cb 0.07 0.43 0.05 0.00 -1.45 0.00 0.00 41.25 40.35 2dhi s ASN 60 CO 0.56 -0.59 -0.10 -0.63 -3.72 0.00 0.00 177.10 172.62 2dhi s ILE 61 N -1.78 1.74 -0.25 -5.21 1.01 -1.26 -0.66 121.20 114.79 2dhi s ILE 61 Ca -0.09 -1.17 -0.13 0.00 0.00 0.00 0.00 60.65 59.25 2dhi s ILE 61 Cb -0.02 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 2dhi s ILE 61 CO 0.03 0.09 0.30 -0.13 0.00 0.00 0.00 174.94 175.23 2dhi s ARG 62 N 1.33 4.05 0.02 2.79 0.52 -1.06 -4.95 118.95 121.65 2dhi s ARG 62 Ca -0.03 -0.06 0.01 0.00 -0.52 0.00 0.00 55.73 55.13 2dhi s ARG 62 Cb -0.17 -3.60 -0.01 0.00 0.52 0.00 0.00 34.95 31.68 2dhi s ARG 62 CO -0.07 -0.13 -0.04 0.95 0.02 0.00 0.00 175.30 176.02 2dhi s THR 63 N 1.62 0.27 0.00 0.02 -4.23 -1.26 -0.86 115.64 111.20 2dhi s THR 63 Ca 0.13 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 60.04 2dhi s THR 63 Cb -0.15 -0.32 0.00 0.00 1.34 0.00 0.00 72.50 73.37 2dhi s THR 63 CO 0.08 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 2dhi n GLY 64 N 2.19 1.62 0.11 3.99 0.00 -1.17 -3.61 105.19 108.33 2dhi n GLY 64 Ca -0.19 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 0.81 -0.26 1.61 8.25 -1.26 -4.36 115.22 120.01 2dhi n HIS 65 Ca 0.00 0.22 0.04 0.00 -0.26 0.00 0.00 57.72 57.72 2dhi n HIS 65 Cb 0.00 -1.12 0.09 0.00 1.12 0.00 0.00 29.99 30.08 2dhi n HIS 65 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2dhi n GLU 66 N -3.19 -0.07 -2.24 -0.41 -0.58 -1.24 -3.91 120.64 109.01 2dhi n GLU 66 Ca -0.29 1.10 -0.43 0.00 -0.42 0.00 0.00 57.16 57.13 2dhi n GLU 66 Cb 1.06 -1.65 -0.02 0.00 -0.57 0.00 0.00 31.44 30.26 2dhi n GLU 66 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dhi n ARG 68 N 7.49 1.53 -0.02 0.00 0.63 -1.25 -4.66 116.66 120.38 2dhi n ARG 68 Ca 0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 2dhi n ARG 68 Cb 0.46 -0.89 0.01 0.00 0.45 0.00 0.00 32.46 32.49 2dhi n ARG 68 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2dhi n ASP 69 N -1.25 0.52 -3.03 6.15 2.03 -1.26 -4.82 116.55 114.89 2dhi n ASP 69 Ca 0.00 -2.01 -0.17 0.00 0.52 0.00 0.00 54.79 53.13 2dhi n ASP 69 Cb 0.05 -0.19 -0.05 0.00 -0.72 0.00 0.00 41.12 40.21 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 -0.26 0.00 -3.71 5.18 -5.35 -1.26 -5.17 119.36 108.80 2dhi n ILE 70 Ca 0.01 -1.73 -0.15 0.00 -0.27 0.00 0.00 62.75 60.61 2dhi n ILE 70 Cb 0.12 0.69 -0.15 0.00 -1.74 0.00 0.00 39.64 38.56 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 -3.08 0.05 0.51 6.28 -2.07 -1.26 -5.12 119.66 114.97 2dhi s GLN 71 Ca 0.19 0.45 -0.21 0.00 -1.82 0.00 0.00 55.36 53.97 2dhi s GLN 71 Cb 0.01 -0.25 -0.07 0.00 -1.09 0.00 0.00 33.01 31.62 2dhi s GLN 71 CO 0.13 -0.24 1.14 -1.25 -1.32 0.00 0.00 175.29 173.76 2dhi s PRO 72 N 1.74 3.53 0.42 9.60 0.04 -1.26 -5.00 135.00 144.07 2dhi s PRO 72 Ca -0.03 1.68 -0.24 0.00 0.04 0.00 0.00 61.00 62.45 2dhi s PRO 72 Cb -0.12 -2.18 -0.08 0.00 0.04 0.00 0.00 34.50 32.16 2dhi s PRO 72 CO -0.06 -0.72 1.18 -1.25 0.04 0.00 0.00 177.00 176.19 2dhi s PRO 73 N -3.03 3.92 0.12 0.56 0.04 -1.26 -4.94 135.00 130.41 2dhi s PRO 73 Ca 0.69 1.84 -0.34 0.00 0.04 0.00 0.00 61.00 63.23 2dhi s PRO 73 Cb -0.26 -2.57 -0.13 0.00 0.04 0.00 0.00 34.50 31.58 2dhi s PRO 73 CO 0.30 -0.43 1.65 -0.25 0.04 0.00 0.00 177.00 178.31 2dhi n ASP 74 N -0.15 3.26 0.00 6.66 8.00 -1.26 -1.91 116.55 131.14 2dhi n ASP 74 Ca 0.05 1.06 0.00 0.00 0.71 0.00 0.00 54.79 56.61 2dhi n ASP 74 Cb 0.47 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.14 2dhi n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dhi n GLY 75 N 3.65 0.77 2.98 0.44 0.00 -1.26 -5.07 105.19 106.70 2dhi n GLY 75 Ca 0.18 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.34 0.14 0.03 1.61 -0.14 -0.81 -5.12 119.74 114.12 2dhi s LYS 76 Ca 0.00 0.25 -0.01 0.00 -1.36 0.00 0.00 55.97 54.85 2dhi s LYS 76 Cb 0.00 -0.01 0.01 0.00 -1.68 0.00 0.00 37.83 36.15 2dhi s LYS 76 CO 0.00 -0.07 0.03 -0.35 -0.76 0.00 0.00 175.35 174.20 2dhi n PRO 77 N 3.40 -1.07 -0.07 -1.68 -0.04 -1.26 -4.67 135.00 129.60 2dhi n PRO 77 Ca -0.17 -0.05 -0.17 0.00 -0.04 0.00 0.00 63.50 63.08 2dhi n PRO 77 Cb 0.57 -0.04 -0.13 0.00 -0.04 0.00 0.00 33.50 33.85 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 -1.60 0.69 0.08 0.54 1.74 -1.26 -4.13 116.66 112.73 2dhi n ARG 78 Ca 0.00 0.17 0.06 0.00 -0.77 0.00 0.00 57.85 57.31 2dhi n ARG 78 Cb 0.02 -1.61 0.29 0.00 -1.02 0.00 0.00 32.46 30.15 2dhi n ARG 78 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2dhi n ASP 79 N -3.22 0.28 -1.07 0.55 8.00 -1.26 -0.20 116.55 119.63 2dhi n ASP 79 Ca -0.37 0.62 0.08 0.00 0.71 0.00 0.00 54.79 55.83 2dhi n ASP 79 Cb 1.04 -0.65 0.24 0.00 -0.02 0.00 0.00 41.12 41.73 2dhi n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dhi s LEU 81 N -1.19 4.20 -0.13 0.00 1.43 0.73 -0.20 118.68 123.52 2dhi s LEU 81 Ca 0.36 0.33 0.03 0.00 -1.03 0.00 0.00 54.13 53.82 2dhi s LEU 81 Cb 0.20 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 44.21 2dhi s LEU 81 CO 0.21 0.11 -0.21 -0.22 0.23 0.00 0.00 176.35 176.47 2dhi s LEU 82 N 0.58 2.06 0.08 1.79 2.96 0.28 -3.03 118.68 123.40 2dhi s LEU 82 Ca 0.12 -0.57 0.07 0.00 -0.22 0.00 0.00 54.13 53.52 2dhi s LEU 82 Cb -0.12 -1.39 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 2dhi s LEU 82 CO 0.02 0.09 -0.17 -1.58 -1.32 0.00 0.00 176.35 173.38 2dhi s GLN 83 N 0.76 0.98 -0.31 1.98 0.74 -0.04 0.37 119.66 124.13 2dhi s GLN 83 Ca -0.09 -1.04 -0.00 0.00 0.05 0.00 0.00 55.36 54.27 2dhi s GLN 83 Cb -0.16 -1.11 0.10 0.00 1.10 0.00 0.00 33.01 32.94 2dhi s GLN 83 CO -0.00 0.25 0.09 0.42 -0.55 0.00 0.00 175.29 175.51 2dhi s ILE 84 N -1.20 1.01 0.31 -2.34 -1.09 -1.00 -2.56 121.20 114.33 2dhi s ILE 84 Ca 0.02 -1.48 -0.28 0.00 -2.23 0.00 0.00 60.65 56.68 2dhi s ILE 84 Cb -0.10 -1.76 -0.09 0.00 -1.58 0.00 0.00 42.46 38.93 2dhi s ILE 84 CO 0.03 -0.67 1.11 -0.69 -1.23 0.00 0.00 174.94 173.50 2dhi s VAL 85 N 1.55 3.43 0.29 2.92 1.01 0.17 -2.73 120.40 127.03 2dhi s VAL 85 Ca 0.10 1.38 0.03 0.00 0.00 0.00 0.00 61.98 63.49 2dhi s VAL 85 Cb -0.17 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.39 2dhi s VAL 85 CO -0.24 0.28 0.27 0.00 0.00 0.00 0.00 175.10 175.42 2dhi h ARG 87 N 0.00 0.35 -0.95 0.00 3.08 -1.83 -3.31 114.38 111.73 2dhi h ARG 87 Ca -0.17 -0.61 -0.05 0.00 0.07 0.00 0.00 59.98 59.23 2dhi h ARG 87 Cb 0.65 0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.90 2dhi h ARG 87 CO 0.26 1.25 0.07 -0.25 -1.07 0.00 0.00 179.97 180.23 2dhi n ASP 88 N -3.55 2.55 0.00 7.04 9.92 -1.26 -4.83 116.55 126.42 2dhi n ASP 88 Ca -0.22 -2.27 0.00 0.00 -0.53 0.00 0.00 54.79 51.77 2dhi n ASP 88 Cb 1.07 -0.56 0.00 0.00 -0.64 0.00 0.00 41.12 40.99 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 0.14 1.86 2.50 0.44 0.00 -1.25 -4.99 105.19 103.89 2dhi n GLY 89 Ca 0.09 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.73 1.61 4.81 -1.26 -4.40 118.16 115.19 2dhi n LYS 90 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 2dhi n LYS 90 Cb 0.00 -0.76 -0.10 0.00 0.02 0.00 0.00 35.03 34.18 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 -1.37 -0.01 -0.22 3.15 2.01 -1.26 -0.56 115.64 117.38 2dhi s THR 91 Ca 0.44 0.03 -0.06 0.00 0.31 0.00 0.00 61.69 62.41 2dhi s THR 91 Cb -0.44 -0.55 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 2dhi s THR 91 CO 0.49 0.01 0.02 -0.63 -0.69 0.00 0.00 174.62 173.82 2dhi s ILE 92 N 0.50 4.04 -0.30 1.82 1.01 -1.11 -4.97 121.20 122.20 2dhi s ILE 92 Ca -0.02 -0.27 -0.17 0.00 0.00 0.00 0.00 60.65 60.18 2dhi s ILE 92 Cb -0.04 -2.85 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 2dhi s ILE 92 CO -0.03 0.39 0.47 -0.44 0.00 0.00 0.00 174.94 175.34 2dhi s SER 93 N 1.28 6.33 0.25 3.58 0.01 -1.26 -2.38 113.70 121.52 2dhi s SER 93 Ca 0.04 0.23 0.05 0.00 1.31 0.00 0.00 55.95 57.58 2dhi s SER 93 Cb -0.15 -2.25 -0.05 0.00 0.21 0.00 0.00 66.02 63.78 2dhi s SER 93 CO 0.02 -0.33 -0.04 -0.76 0.41 0.00 0.00 173.24 172.53 2dhi s LEU 94 N 2.27 2.36 -0.19 2.44 1.43 0.16 -0.92 118.68 126.22 2dhi s LEU 94 Ca 0.18 -1.19 -0.15 0.00 -1.03 0.00 0.00 54.13 51.94 2dhi s LEU 94 Cb -0.16 -0.45 0.05 0.00 0.03 0.00 0.00 46.19 45.66 2dhi s LEU 94 CO 0.11 -0.41 0.49 0.00 0.23 0.00 0.00 176.35 176.76 2dhi s ALA 96 N 0.59 3.71 0.14 0.00 0.00 0.72 -1.12 121.76 125.80 2dhi s ALA 96 Ca -0.03 -1.33 -0.27 0.00 0.00 0.00 0.00 51.96 50.33 2dhi s ALA 96 Cb -0.05 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 2dhi s ALA 96 CO -0.04 0.28 1.59 1.49 0.00 0.00 0.00 175.76 179.08 2dhi h GLU 97 N 1.47 -0.41 -4.78 0.00 4.57 -1.90 -3.45 114.58 110.09 2dhi h GLU 97 Ca -0.50 0.03 -0.28 0.00 -1.18 0.00 0.00 59.36 57.44 2dhi h GLU 97 Cb 1.23 0.09 -0.15 0.00 -0.16 0.00 0.00 28.75 29.77 2dhi h GLU 97 CO 0.61 -0.27 -0.67 -1.54 -1.18 0.00 0.00 179.01 175.96 2dhi s SER 98 N -4.92 1.19 0.20 1.04 1.04 -1.26 -4.90 113.70 106.09 2dhi s SER 98 Ca -0.15 -1.15 -0.21 0.00 0.48 0.00 0.00 55.95 54.93 2dhi s SER 98 Cb 0.10 0.12 0.14 0.00 0.10 0.00 0.00 66.02 66.48 2dhi s SER 98 CO 0.65 -0.55 1.57 0.74 0.98 0.00 0.00 173.24 176.64 2dhi h THR 99 N 2.74 0.12 -0.81 2.02 2.02 -1.86 0.18 112.91 117.33 2dhi h THR 99 Ca -0.36 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.01 2dhi h THR 99 Cb 1.20 0.12 -0.13 0.00 -1.74 0.00 0.00 68.15 67.59 2dhi h THR 99 CO 0.63 0.00 0.10 -0.78 0.37 0.00 0.00 175.52 175.84 2dhi h ASP 100 N -0.13 -0.20 -0.25 4.18 3.58 -1.97 0.29 116.42 121.93 2dhi h ASP 100 Ca 0.26 0.19 0.01 0.00 0.42 0.00 0.00 57.03 57.91 2dhi h ASP 100 Cb 0.56 0.31 -0.02 0.00 1.72 0.00 0.00 39.33 41.91 2dhi h ASP 100 CO -0.76 -0.16 0.15 0.44 -2.88 0.00 0.00 179.24 176.03 2dhi h ASP 101 N 0.15 0.25 0.54 2.28 3.32 -1.06 -1.42 116.42 120.49 2dhi h ASP 101 Ca 0.47 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.49 2dhi h ASP 101 Cb 0.87 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.37 2dhi h ASP 101 CO -0.66 0.18 -0.26 0.00 -1.72 0.00 0.00 179.24 176.79 2dhi h LEU 103 N -0.87 -0.35 -0.22 0.00 3.38 -0.51 -1.33 115.31 115.41 2dhi h LEU 103 Ca -0.07 0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.11 2dhi h LEU 103 Cb 0.61 0.32 -0.06 0.00 0.09 0.00 0.00 40.66 41.63 2dhi h LEU 103 CO 0.12 -0.16 -0.43 0.00 0.09 0.00 0.00 178.44 178.07 2dhi h ALA 104 N 1.65 -0.73 0.05 1.53 0.00 -1.18 -0.60 119.26 119.98 2dhi h ALA 104 Ca 0.37 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.28 2dhi h ALA 104 Cb 0.62 0.98 -0.05 0.00 0.00 0.00 0.00 17.79 19.34 2dhi h ALA 104 CO -0.61 -0.91 -0.34 -1.49 0.00 0.00 0.00 179.25 175.89 2dhi h TRP 105 N -0.37 -0.95 -0.80 0.00 4.06 -1.27 -2.66 115.95 113.95 2dhi h TRP 105 Ca 0.04 0.03 0.09 0.00 2.06 0.00 0.00 58.89 61.11 2dhi h TRP 105 Cb 0.49 0.41 -0.12 0.00 -1.00 0.00 0.00 29.16 28.95 2dhi h TRP 105 CO -0.63 -0.44 -0.52 -0.22 -3.56 0.00 0.00 178.44 173.07 2dhi h LYS 106 N -0.53 -0.12 -0.73 0.49 3.64 -0.81 0.23 116.57 118.74 2dhi h LYS 106 Ca 0.05 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.59 2dhi h LYS 106 Cb 0.59 0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 32.30 2dhi h LYS 106 CO -0.25 -0.08 -0.11 0.74 -2.27 0.00 0.00 179.45 177.48 2dhi h PHE 107 N -0.12 -0.26 0.18 1.91 0.04 -0.79 0.20 116.94 118.09 2dhi h PHE 107 Ca 0.18 0.06 -0.01 0.00 2.80 0.00 0.00 57.97 61.00 2dhi h PHE 107 Cb 0.51 0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.89 2dhi h PHE 107 CO -0.88 -0.29 -0.09 1.15 -0.60 0.00 0.00 178.31 177.61 2dhi h THR 108 N 0.03 0.87 -0.45 -1.55 2.02 -0.40 -0.77 112.91 112.67 2dhi h THR 108 Ca 0.37 -0.24 0.08 0.00 0.77 0.00 0.00 66.41 67.40 2dhi h THR 108 Cb 0.60 1.02 -0.07 0.00 -1.74 0.00 0.00 68.15 67.96 2dhi h THR 108 CO -0.71 0.06 0.02 -0.07 0.37 0.00 0.00 175.52 175.18 2dhi h LEU 109 N -0.36 -0.14 -1.20 2.58 3.38 0.59 -0.55 115.31 119.61 2dhi h LEU 109 Ca -0.02 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2dhi h LEU 109 Cb 0.28 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2dhi h LEU 109 CO 0.04 -0.04 0.14 1.56 0.09 0.00 0.00 178.44 180.24 2dhi h GLN 110 N 0.14 0.70 -0.47 1.13 4.20 -0.57 -2.29 115.11 117.96 2dhi h GLN 110 Ca 0.23 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 2dhi h GLN 110 Cb 0.32 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 2dhi h GLN 110 CO -0.35 0.62 0.18 0.22 -0.67 0.00 0.00 178.83 178.82 2dhi h ASP 111 N 0.69 0.61 0.36 1.46 3.58 0.41 -0.97 116.42 122.56 2dhi h ASP 111 Ca 0.16 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2dhi h ASP 111 Cb 0.22 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.11 2dhi h ASP 111 CO -0.01 0.56 0.00 -1.54 -2.88 0.00 0.00 179.24 175.37 2dhi n SER 112 N -4.35 0.31 -2.02 2.28 3.41 -0.69 -2.48 113.62 110.07 2dhi n SER 112 Ca 0.04 0.60 -0.23 0.00 -0.26 0.00 0.00 58.87 59.02 2dhi n SER 112 Cb 0.16 -0.66 0.07 0.00 -0.26 0.00 0.00 64.21 63.52 2dhi n SER 112 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2dhi n ARG 113 N -1.87 2.10 -0.07 4.33 1.74 -0.37 -4.38 116.66 118.14 2dhi n ARG 113 Ca 0.01 -2.25 -0.11 0.00 -0.77 0.00 0.00 57.85 54.73 2dhi n ARG 113 Cb 0.12 -1.88 -0.09 0.00 -1.02 0.00 0.00 32.46 29.59 2dhi n ARG 113 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 2dhi h THR 114 N 0.92 1.09 -2.61 0.55 1.35 -1.67 -3.45 112.91 109.09 2dhi h THR 114 Ca 0.43 -1.89 -0.53 0.00 -0.55 0.00 0.00 66.41 63.87 2dhi h THR 114 Cb 1.24 2.14 0.02 0.00 -1.73 0.00 0.00 68.15 69.81 2dhi h THR 114 CO 1.03 0.37 1.06 -0.44 -0.25 0.00 0.00 175.52 177.29 2dhi s SER 115 N -6.11 6.57 -0.90 5.36 0.01 -1.26 -4.95 113.70 112.42 2dhi s SER 115 Ca -0.15 2.51 -0.06 0.00 1.31 0.00 0.00 55.95 59.56 2dhi s SER 115 Cb -0.01 -2.55 0.23 0.00 0.21 0.00 0.00 66.02 63.89 2dhi s SER 115 CO 0.47 -0.93 0.81 -0.83 0.41 0.00 0.00 173.24 173.17 2dhi s GLY 116 N 2.85 2.97 0.13 3.44 0.00 -1.26 -5.04 107.32 110.41 2dhi s GLY 116 Ca 0.77 -3.68 -0.31 0.00 0.00 0.00 0.00 44.72 41.50 2dhi s GLY 116 CO 0.34 1.22 1.34 2.56 0.00 0.00 0.00 173.10 178.56 2dhi s PRO 117 N -0.92 4.35 -0.30 2.90 0.04 -1.26 -5.01 135.00 134.81 2dhi s PRO 117 Ca 0.25 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 63.20 2dhi s PRO 117 Cb -0.10 -3.24 0.17 0.00 0.04 0.00 0.00 34.50 31.36 2dhi s PRO 117 CO -0.09 -0.36 0.94 -1.54 0.04 0.00 0.00 177.00 175.98 2dhi s SER 118 N 0.87 -0.67 0.10 6.66 1.04 -1.26 -5.07 113.70 115.37 2dhi s SER 118 Ca 0.62 0.80 -0.24 0.00 0.48 0.00 0.00 55.95 57.60 2dhi s SER 118 Cb -0.36 1.71 -0.08 0.00 0.10 0.00 0.00 66.02 67.40 2dhi s SER 118 CO 0.32 -0.13 1.40 0.28 0.98 0.00 0.00 173.24 176.10 2dhi h SER 119 N 7.65 -1.41 0.00 7.02 0.02 -2.08 -3.57 113.55 121.18 2dhi h SER 119 Ca -0.16 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2dhi h SER 119 Cb 1.13 0.58 0.00 0.00 0.14 0.00 0.00 62.40 64.25 2dhi h SER 119 CO 0.07 -0.28 0.00 0.61 -1.14 0.00 0.00 176.83 176.09