#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 -0.37 0.28 1.61 1.04 -1.26 -5.19 113.70 109.82 2dhi s SER 2 Ca 0.00 -0.02 -0.07 0.00 0.48 0.00 0.00 55.95 56.34 2dhi s SER 2 Cb 0.00 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.52 2dhi s SER 2 CO 0.00 -0.66 0.43 -0.55 0.98 0.00 0.00 173.24 173.44 2dhi s SER 3 N -2.52 0.35 -0.06 7.02 0.15 -1.26 -5.17 113.70 112.21 2dhi s SER 3 Ca 0.05 -1.23 -0.03 0.00 0.70 0.00 0.00 55.95 55.45 2dhi s SER 3 Cb -0.01 0.59 0.04 0.00 -1.71 0.00 0.00 66.02 64.93 2dhi s SER 3 CO -0.09 -1.17 0.12 -0.83 1.20 0.00 0.00 173.24 172.48 2dhi s GLY 4 N -3.13 0.06 0.20 9.45 0.00 -1.26 -5.15 107.32 107.49 2dhi s GLY 4 Ca 0.28 0.50 -0.12 0.00 0.00 0.00 0.00 44.72 45.39 2dhi s GLY 4 CO 0.14 1.31 0.56 -0.56 0.00 0.00 0.00 173.10 174.55 2dhi s SER 5 N 1.80 6.72 -0.01 1.64 0.01 -1.26 -5.01 113.70 117.59 2dhi s SER 5 Ca -0.02 1.01 -0.03 0.00 1.31 0.00 0.00 55.95 58.23 2dhi s SER 5 Cb -0.12 -2.26 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 2dhi s SER 5 CO -0.05 -0.01 -0.06 -1.20 0.41 0.00 0.00 173.24 172.33 2dhi n SER 6 N 0.25 0.65 0.00 2.44 7.64 -1.26 -5.14 113.62 118.20 2dhi n SER 6 Ca -0.02 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2dhi n SER 6 Cb 0.52 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 2dhi n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dhi n GLY 7 N 2.87 1.81 3.74 0.23 0.00 -1.26 -4.96 105.19 107.62 2dhi n GLY 7 Ca -0.07 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 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 3.71 0.09 1.61 0.08 -1.26 -3.74 117.98 118.46 2dhi s PHE 8 Ca 0.00 1.42 -0.35 0.00 0.12 0.00 0.00 56.93 58.12 2dhi s PHE 8 Cb 0.00 -2.80 -0.16 0.00 -0.57 0.00 0.00 43.02 39.49 2dhi s PHE 8 CO 0.00 0.26 1.58 0.28 -0.10 0.00 0.00 175.22 177.24 2dhi h VAL 9 N 4.20 0.09 -3.47 -0.44 2.07 0.48 -3.44 116.25 115.74 2dhi h VAL 9 Ca -0.44 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 66.86 2dhi h VAL 9 Cb 1.20 0.09 -0.29 0.00 -1.52 0.00 0.00 31.29 30.78 2dhi h VAL 9 CO 0.71 0.00 -0.63 -0.75 0.02 0.00 0.00 177.57 176.93 2dhi s LYS 10 N -5.92 0.08 -0.07 1.57 2.20 -1.26 -5.01 119.74 111.33 2dhi s LYS 10 Ca -0.18 0.18 0.02 0.00 -0.36 0.00 0.00 55.97 55.63 2dhi s LYS 10 Cb 0.05 -0.03 0.02 0.00 -1.51 0.00 0.00 37.83 36.35 2dhi s LYS 10 CO 0.61 -0.06 -0.11 -1.54 -0.36 0.00 0.00 175.35 173.89 2dhi s SER 11 N 0.39 1.76 0.33 1.43 1.04 -1.26 -2.86 113.70 114.53 2dhi s SER 11 Ca -0.03 -0.29 -0.18 0.00 0.48 0.00 0.00 55.95 55.93 2dhi s SER 11 Cb -0.04 -0.80 0.04 0.00 0.10 0.00 0.00 66.02 65.32 2dhi s SER 11 CO -0.01 0.01 0.78 -0.83 0.98 0.00 0.00 173.24 174.17 2dhi s GLY 12 N 0.80 0.17 -0.11 7.32 0.00 -1.23 -5.06 107.32 109.21 2dhi s GLY 12 Ca -0.12 -0.54 -0.17 0.00 0.00 0.00 0.00 44.72 43.89 2dhi s GLY 12 CO 0.02 -0.10 0.45 -0.98 0.00 0.00 0.00 173.10 172.49 2dhi s TRP 13 N -2.93 3.53 -0.03 1.90 0.52 -1.26 -2.99 118.94 117.68 2dhi s TRP 13 Ca 0.14 0.87 -0.12 0.00 0.02 0.00 0.00 56.10 57.01 2dhi s TRP 13 Cb -0.05 -2.50 0.02 0.00 -1.15 0.00 0.00 33.47 29.79 2dhi s TRP 13 CO 0.09 0.23 0.28 -0.51 0.02 0.00 0.00 176.95 177.06 2dhi s LEU 14 N 0.40 0.98 0.48 2.99 1.43 -0.94 -4.71 118.68 119.30 2dhi s LEU 14 Ca 0.25 0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 53.37 2dhi s LEU 14 Cb -0.15 1.11 -0.06 0.00 0.03 0.00 0.00 46.19 47.11 2dhi s LEU 14 CO 0.10 -0.36 0.88 -0.76 0.23 0.00 0.00 176.35 176.44 2dhi s LEU 15 N -1.01 3.67 -0.10 1.79 1.43 -0.90 -0.64 118.68 122.92 2dhi s LEU 15 Ca -0.11 1.30 -0.05 0.00 -1.03 0.00 0.00 54.13 54.25 2dhi s LEU 15 Cb -0.05 -4.23 0.05 0.00 0.03 0.00 0.00 46.19 41.99 2dhi s LEU 15 CO 0.03 -0.54 0.22 -0.60 0.23 0.00 0.00 176.35 175.70 2dhi s ARG 16 N -4.16 0.16 -0.46 1.70 3.52 -0.81 -2.16 118.95 116.72 2dhi s ARG 16 Ca 0.54 0.56 -0.28 0.00 -0.13 0.00 0.00 55.73 56.41 2dhi s ARG 16 Cb -0.10 -0.13 0.01 0.00 -1.56 0.00 0.00 34.95 33.17 2dhi s ARG 16 CO 0.35 -0.21 1.45 -1.14 -0.81 0.00 0.00 175.30 174.95 2dhi s GLN 17 N 1.61 3.43 0.98 5.12 0.74 -0.80 -2.62 119.66 128.12 2dhi s GLN 17 Ca -0.06 0.80 -0.14 0.00 0.05 0.00 0.00 55.36 56.01 2dhi s GLN 17 Cb -0.11 -4.08 0.18 0.00 1.10 0.00 0.00 33.01 30.10 2dhi s GLN 17 CO -0.08 -1.75 1.17 -1.12 -0.55 0.00 0.00 175.29 172.96 2dhi s SER 18 N 4.39 2.95 0.00 6.67 0.01 -1.23 -4.69 113.70 121.80 2dhi s SER 18 Ca 0.60 0.74 0.12 0.00 1.31 0.00 0.00 55.95 58.73 2dhi s SER 18 Cb -0.13 -1.14 0.12 0.00 0.21 0.00 0.00 66.02 65.08 2dhi s SER 18 CO 0.30 -2.88 0.93 0.35 0.41 0.00 0.00 173.24 172.35 2dhi n THR 19 N -3.95 0.10 -0.05 1.44 -2.24 -1.26 -3.62 114.28 104.70 2dhi n THR 19 Ca 0.10 -0.55 -0.07 0.00 -2.27 0.00 0.00 64.05 61.26 2dhi n THR 19 Cb 0.59 1.18 -0.05 0.00 -2.10 0.00 0.00 70.33 69.96 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 0.70 0.56 1.00 2.28 2.08 -1.26 -4.65 119.36 120.06 2dhi n ILE 20 Ca 0.08 -0.22 0.11 0.00 0.56 0.00 0.00 62.75 63.27 2dhi n ILE 20 Cb 0.33 -0.84 -0.06 0.00 -0.75 0.00 0.00 39.64 38.31 2dhi n ILE 20 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2dhi n LEU 21 N -2.75 1.53 -4.30 1.39 4.77 -1.26 -4.98 117.00 111.40 2dhi n LEU 21 Ca -0.17 -0.63 -0.32 0.00 -0.03 0.00 0.00 56.01 54.86 2dhi n LEU 21 Cb 0.69 -0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.68 2dhi n LEU 21 CO 0.10 0.32 -0.42 0.29 -1.33 0.00 0.00 177.39 176.35 2dhi n LYS 22 N -0.74 -0.91 -3.70 3.23 4.76 -1.24 -4.91 118.16 114.65 2dhi n LYS 22 Ca 0.07 0.09 -0.14 0.00 -2.87 0.00 0.00 58.31 55.46 2dhi n LYS 22 Cb 0.40 -3.65 -0.08 0.00 -1.84 0.00 0.00 35.03 29.86 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 -7.24 0.74 -0.29 1.97 1.70 -1.26 -4.95 118.95 109.62 2dhi s ARG 23 Ca 0.12 0.02 -0.29 0.00 -0.47 0.00 0.00 55.73 55.12 2dhi s ARG 23 Cb -0.07 0.34 -0.02 0.00 -0.57 0.00 0.00 34.95 34.62 2dhi s ARG 23 CO 0.98 -0.20 1.73 -1.58 -1.08 0.00 0.00 175.30 175.15 2dhi s TRP 24 N -1.09 1.91 -0.13 5.89 0.52 -1.26 -3.55 118.94 121.23 2dhi s TRP 24 Ca -0.11 0.57 -0.00 0.00 0.02 0.00 0.00 56.10 56.58 2dhi s TRP 24 Cb -0.04 -4.09 -0.01 0.00 -1.15 0.00 0.00 33.47 28.18 2dhi s TRP 24 CO 0.05 -2.98 -0.13 -1.59 0.02 0.00 0.00 176.95 172.31 2dhi s LYS 25 N 5.29 3.35 0.20 4.98 -2.85 -1.08 -4.83 119.74 124.80 2dhi s LYS 25 Ca 0.77 -0.70 -0.32 0.00 -1.00 0.00 0.00 55.97 54.72 2dhi s LYS 25 Cb -0.23 -2.63 -0.12 0.00 -2.06 0.00 0.00 37.83 32.79 2dhi s LYS 25 CO 0.32 0.18 1.71 0.21 0.10 0.00 0.00 175.35 177.88 2dhi s LYS 26 N 0.43 4.13 0.27 1.78 2.20 -1.26 -1.93 119.74 125.36 2dhi s LYS 26 Ca -0.10 2.59 0.02 0.00 -0.36 0.00 0.00 55.97 58.11 2dhi s LYS 26 Cb -0.16 -3.09 -0.05 0.00 -1.51 0.00 0.00 37.83 33.02 2dhi s LYS 26 CO 0.05 -0.74 0.12 -0.80 -0.36 0.00 0.00 175.35 173.61 2dhi s ASN 27 N 1.22 1.32 -0.30 1.43 -0.87 0.19 -4.93 114.94 112.99 2dhi s ASN 27 Ca 0.75 -1.44 -0.04 0.00 -1.57 0.00 0.00 52.86 50.56 2dhi s ASN 27 Cb -0.49 0.24 0.04 0.00 -0.02 0.00 0.00 41.25 41.01 2dhi s ASN 27 CO 0.32 -0.78 0.03 0.86 -2.57 0.00 0.00 177.10 174.96 2dhi s TRP 28 N -3.70 3.21 0.18 2.20 -0.11 -1.02 -2.22 118.94 117.47 2dhi s TRP 28 Ca 0.37 -1.54 0.02 0.00 1.22 0.00 0.00 56.10 56.17 2dhi s TRP 28 Cb 0.07 -2.17 -0.04 0.00 -1.50 0.00 0.00 33.47 29.83 2dhi s TRP 28 CO 0.15 -0.73 0.33 -0.06 -4.62 0.00 0.00 176.95 172.01 2dhi s PHE 29 N 1.35 3.48 -0.27 5.86 0.40 -1.16 0.08 117.98 127.72 2dhi s PHE 29 Ca -0.02 0.16 -0.04 0.00 -0.60 0.00 0.00 56.93 56.44 2dhi s PHE 29 Cb -0.19 -1.71 0.15 0.00 0.51 0.00 0.00 43.02 41.79 2dhi s PHE 29 CO 0.00 0.46 0.53 -0.51 0.70 0.00 0.00 175.22 176.40 2dhi s ASP 30 N -3.33 -0.79 0.08 1.36 1.01 -0.79 -3.50 116.67 110.71 2dhi s ASP 30 Ca 0.36 0.83 -0.20 0.00 0.71 0.00 0.00 52.55 54.24 2dhi s ASP 30 Cb -0.11 1.82 -0.07 0.00 1.01 0.00 0.00 42.92 45.57 2dhi s ASP 30 CO 0.29 -0.26 0.59 -0.22 0.21 0.00 0.00 175.17 175.78 2dhi s LEU 31 N 2.75 4.53 0.64 1.23 2.96 -1.13 -1.47 118.68 128.19 2dhi s LEU 31 Ca 0.12 1.30 0.01 0.00 -0.22 0.00 0.00 54.13 55.35 2dhi s LEU 31 Cb -0.14 -2.94 0.09 0.00 0.50 0.00 0.00 46.19 43.70 2dhi s LEU 31 CO -0.18 0.26 0.89 0.26 -1.32 0.00 0.00 176.35 176.26 2dhi s TRP 32 N -1.08 2.02 0.15 5.38 0.52 0.17 0.10 118.94 126.20 2dhi s TRP 32 Ca 0.30 -0.24 0.10 0.00 0.02 0.00 0.00 56.10 56.27 2dhi s TRP 32 Cb -0.20 -2.80 0.09 0.00 -1.15 0.00 0.00 33.47 29.40 2dhi s TRP 32 CO 0.20 -1.33 1.45 1.03 0.02 0.00 0.00 176.95 178.31 2dhi h SER 33 N -0.21 0.00 0.24 2.95 0.87 -1.85 -3.01 113.55 112.54 2dhi h SER 33 Ca -0.38 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 2dhi h SER 33 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2dhi h SER 33 CO 0.44 0.77 -0.04 -0.67 -0.53 0.00 0.00 176.83 176.80 2dhi n ASP 34 N -3.50 0.37 0.00 6.23 2.03 -1.26 -4.62 116.55 115.79 2dhi n ASP 34 Ca -0.00 -0.74 0.00 0.00 0.52 0.00 0.00 54.79 54.57 2dhi n ASP 34 Cb 0.77 -0.08 0.00 0.00 -0.72 0.00 0.00 41.12 41.09 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 1.18 2.84 3.69 0.27 0.00 -1.14 -4.60 105.19 107.44 2dhi n GLY 35 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.84 2.35 -5.08 1.61 8.25 -1.26 -3.47 115.22 116.78 2dhi n HIS 36 Ca 0.00 0.39 -0.32 0.00 -0.26 0.00 0.00 57.72 57.53 2dhi n HIS 36 Cb 0.00 -2.49 -0.16 0.00 1.12 0.00 0.00 29.99 28.46 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 -0.10 2.30 -0.06 2.41 2.96 0.34 0.42 118.68 126.95 2dhi s LEU 37 Ca 0.66 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 54.10 2dhi s LEU 37 Cb -0.60 -1.48 0.02 0.00 0.50 0.00 0.00 46.19 44.63 2dhi s LEU 37 CO 0.50 0.17 -0.06 -0.63 -1.32 0.00 0.00 176.35 175.01 2dhi s ILE 38 N 0.31 0.67 0.20 6.68 1.01 -0.54 -1.06 121.20 128.47 2dhi s ILE 38 Ca -0.15 -0.17 0.09 0.00 0.00 0.00 0.00 60.65 60.42 2dhi s ILE 38 Cb -0.17 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 2dhi s ILE 38 CO 0.08 0.27 -0.08 -0.72 0.00 0.00 0.00 174.94 174.48 2dhi s TYR 39 N 1.10 2.62 0.40 3.97 1.13 -1.09 -1.89 117.35 123.59 2dhi s TYR 39 Ca -0.08 -0.23 0.05 0.00 -1.41 0.00 0.00 57.07 55.40 2dhi s TYR 39 Cb -0.14 -1.25 -0.06 0.00 -1.10 0.00 0.00 41.96 39.41 2dhi s TYR 39 CO -0.01 0.54 0.04 0.71 -2.51 0.00 0.00 175.55 174.32 2dhi s TYR 40 N -1.86 2.16 -0.01 -3.49 1.51 0.11 -1.56 117.35 114.22 2dhi s TYR 40 Ca 0.26 -0.87 -0.22 0.00 -1.01 0.00 0.00 57.07 55.23 2dhi s TYR 40 Cb -0.08 -1.53 -0.20 0.00 -0.11 0.00 0.00 41.96 40.04 2dhi s TYR 40 CO 0.16 0.20 1.17 0.22 -1.11 0.00 0.00 175.55 176.18 2dhi h ASP 41 N 1.82 0.34 -5.81 2.29 1.82 -1.75 -2.71 116.42 112.41 2dhi h ASP 41 Ca -0.42 -0.66 -0.49 0.00 -0.39 0.00 0.00 57.03 55.07 2dhi h ASP 41 Cb 1.26 -0.10 -0.13 0.00 0.68 0.00 0.00 39.33 41.04 2dhi h ASP 41 CO 0.74 0.94 -0.48 1.51 -1.61 0.00 0.00 179.24 180.33 2dhi s ASP 42 N -6.31 1.81 0.54 2.28 1.47 -1.26 -4.50 116.67 110.70 2dhi s ASP 42 Ca -0.15 -1.78 0.20 0.00 1.18 0.00 0.00 52.55 52.00 2dhi s ASP 42 Cb 0.03 0.57 1.42 0.00 -0.34 0.00 0.00 42.92 44.60 2dhi s ASP 42 CO 0.76 -1.07 2.17 0.06 0.68 0.00 0.00 175.17 177.77 2dhi h GLN 43 N 2.09 0.00 -0.03 2.11 -0.00 -1.98 -1.08 115.11 116.22 2dhi h GLN 43 Ca -0.25 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.41 2dhi h GLN 43 Cb 1.23 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.71 2dhi h GLN 43 CO 0.36 0.00 0.17 1.79 -0.00 0.00 0.00 178.83 181.15 2dhi h THR 44 N 0.00 0.09 -6.67 1.86 1.35 -2.00 -3.45 112.91 104.09 2dhi h THR 44 Ca 0.01 0.00 -0.54 0.00 -0.55 0.00 0.00 66.41 65.33 2dhi h THR 44 Cb 0.03 0.84 -0.16 0.00 -1.73 0.00 0.00 68.15 67.13 2dhi h THR 44 CO -0.00 0.00 -0.85 0.54 -0.25 0.00 0.00 175.52 174.96 2dhi n ARG 45 N -3.14 -3.23 -0.03 4.72 1.74 -0.41 -4.83 116.66 111.47 2dhi n ARG 45 Ca -0.02 0.38 0.04 0.00 -0.77 0.00 0.00 57.85 57.48 2dhi n ARG 45 Cb 0.24 -4.91 -0.14 0.00 -1.02 0.00 0.00 32.46 26.63 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 -4.41 0.76 -3.88 5.56 6.02 -1.26 -4.80 117.38 115.37 2dhi n GLN 46 Ca -0.04 -0.12 -0.33 0.00 -0.01 0.00 0.00 57.00 56.50 2dhi n GLN 46 Cb 0.55 -1.43 -0.13 0.00 1.02 0.00 0.00 30.24 30.25 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 -4.39 4.75 -0.26 1.08 0.15 -1.26 -5.06 113.70 108.71 2dhi s SER 47 Ca -0.07 -2.69 -0.28 0.00 0.70 0.00 0.00 55.95 53.62 2dhi s SER 47 Cb 0.10 -1.72 -0.05 0.00 -1.71 0.00 0.00 66.02 62.64 2dhi s SER 47 CO 0.74 -0.33 2.26 -0.63 1.20 0.00 0.00 173.24 176.47 2dhi s ILE 48 N 0.18 3.00 0.06 6.45 1.01 -1.26 -2.17 121.20 128.46 2dhi s ILE 48 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 60.65 60.44 2dhi s ILE 48 Cb -0.23 -3.00 -0.20 0.00 0.01 0.00 0.00 42.46 39.04 2dhi s ILE 48 CO -0.03 -0.00 1.54 -0.33 0.00 0.00 0.00 174.94 176.12 2dhi h GLU 49 N 15.89 -1.25 -1.83 2.79 4.39 -1.57 -3.48 114.58 129.51 2dhi h GLU 49 Ca -0.38 0.09 0.22 0.00 0.34 0.00 0.00 59.36 59.62 2dhi h GLU 49 Cb 1.24 0.29 -0.14 0.00 -0.10 0.00 0.00 28.75 30.04 2dhi h GLU 49 CO 0.99 -0.84 0.67 -0.51 -1.16 0.00 0.00 179.01 178.17 2dhi s ASP 50 N -3.89 -0.18 -0.04 1.42 1.01 -1.21 -5.05 116.67 108.72 2dhi s ASP 50 Ca -0.19 -0.11 0.04 0.00 0.71 0.00 0.00 52.55 53.00 2dhi s ASP 50 Cb 0.02 0.27 -0.00 0.00 1.01 0.00 0.00 42.92 44.22 2dhi s ASP 50 CO 0.57 -0.47 -0.16 -0.75 0.21 0.00 0.00 175.17 174.57 2dhi s LYS 51 N -2.76 1.67 -0.15 8.23 2.20 -1.26 -2.67 119.74 125.00 2dhi s LYS 51 Ca 0.10 -0.57 -0.14 0.00 -0.36 0.00 0.00 55.97 55.00 2dhi s LYS 51 Cb 0.00 -1.46 0.04 0.00 -1.51 0.00 0.00 37.83 34.90 2dhi s LYS 51 CO -0.04 0.23 0.40 0.08 -0.36 0.00 0.00 175.35 175.65 2dhi s VAL 52 N 0.06 0.00 0.64 4.02 1.01 -0.22 -5.03 120.40 120.88 2dhi s VAL 52 Ca -0.04 -0.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 2dhi s VAL 52 Cb -0.11 -0.56 0.03 0.00 0.00 0.00 0.00 36.38 35.75 2dhi s VAL 52 CO 0.02 -0.00 0.94 -2.28 0.00 0.00 0.00 175.10 173.77 2dhi s HIS 53 N 0.19 3.06 0.00 5.22 2.46 -1.26 -0.51 115.29 124.46 2dhi s HIS 53 Ca -0.00 0.48 0.00 0.00 0.47 0.00 0.00 55.06 56.01 2dhi s HIS 53 Cb -0.03 -2.94 0.00 0.00 -0.13 0.00 0.00 32.58 29.48 2dhi s HIS 53 CO 0.01 -1.09 0.00 -1.33 -2.47 0.00 0.00 174.74 169.86 2dhi n MET 54 N -2.70 0.00 0.00 2.88 2.81 -1.23 -2.71 117.12 116.17 2dhi n MET 54 Ca 0.06 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 56.01 2dhi n MET 54 Cb 0.59 -0.37 0.31 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 -2.43 0.49 0.00 0.03 -0.04 -1.26 0.15 135.00 131.93 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 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 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 -0.84 0.00 -0.07 0.52 0.31 -1.26 -4.87 118.33 112.13 2dhi n VAL 56 Ca 0.08 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.20 2dhi n VAL 56 Cb 0.04 -1.00 -0.13 0.00 -0.91 0.00 0.00 33.84 31.84 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 -2.72 2.03 -4.74 4.52 9.92 -1.20 -4.83 116.55 119.53 2dhi n ASP 57 Ca 0.00 0.14 -0.40 0.00 -0.53 0.00 0.00 54.79 54.00 2dhi n ASP 57 Cb 0.45 -0.73 -0.05 0.00 -0.64 0.00 0.00 41.12 40.15 2dhi n ASP 57 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dhi n ILE 59 N 3.08 0.14 -3.82 0.00 -5.35 0.69 -4.26 119.36 109.84 2dhi n ILE 59 Ca -0.02 -0.14 -0.10 0.00 -0.27 0.00 0.00 62.75 62.22 2dhi n ILE 59 Cb 0.51 -0.28 -0.07 0.00 -1.74 0.00 0.00 39.64 38.05 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 -3.02 0.04 -0.21 7.28 2.47 -1.17 -5.02 114.94 115.30 2dhi s ASN 60 Ca -0.02 -0.48 -0.01 0.00 0.42 0.00 0.00 52.86 52.78 2dhi s ASN 60 Cb 0.02 0.33 0.06 0.00 -1.45 0.00 0.00 41.25 40.21 2dhi s ASN 60 CO 0.17 -0.67 -0.02 -0.63 -3.72 0.00 0.00 177.10 172.24 2dhi s ILE 61 N -3.27 1.07 -0.19 -5.21 1.01 -1.26 -0.28 121.20 113.08 2dhi s ILE 61 Ca 0.00 -0.87 -0.15 0.00 0.00 0.00 0.00 60.65 59.63 2dhi s ILE 61 Cb 0.02 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 2dhi s ILE 61 CO -0.08 -0.11 0.34 -0.13 0.00 0.00 0.00 174.94 174.97 2dhi s ARG 62 N 1.61 4.20 0.02 2.79 0.52 -1.19 -4.93 118.95 121.97 2dhi s ARG 62 Ca -0.03 0.13 -0.01 0.00 -0.52 0.00 0.00 55.73 55.30 2dhi s ARG 62 Cb -0.18 -3.49 -0.02 0.00 0.52 0.00 0.00 34.95 31.78 2dhi s ARG 62 CO -0.07 0.08 -0.00 0.95 0.02 0.00 0.00 175.30 176.27 2dhi s THR 63 N 0.95 0.11 0.00 0.02 -4.23 -1.26 -0.16 115.64 111.07 2dhi s THR 63 Ca 0.17 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 2dhi s THR 63 Cb -0.14 -0.29 0.00 0.00 1.34 0.00 0.00 72.50 73.41 2dhi s THR 63 CO 0.06 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 2dhi n GLY 64 N 1.57 2.20 0.15 3.99 0.00 -1.15 -2.70 105.19 109.24 2dhi n GLY 64 Ca -0.24 -0.18 0.04 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 -0.63 1.61 3.86 -1.95 -3.32 115.15 114.71 2dhi h HIS 65 Ca 0.00 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.34 2dhi h HIS 65 Cb 0.00 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 28.35 2dhi h HIS 65 CO 0.00 0.44 -0.18 0.93 0.86 0.00 0.00 177.93 179.99 2dhi h GLU 66 N 0.00 -0.02 -6.25 2.45 5.08 -1.87 -3.37 114.58 110.60 2dhi h GLU 66 Ca -0.01 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.78 2dhi h GLU 66 Cb 1.35 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.56 2dhi h GLU 66 CO 0.06 -0.01 0.97 0.00 -1.00 0.00 0.00 179.01 179.02 2dhi n ARG 68 N 7.05 4.26 0.00 0.00 0.00 -1.26 -4.66 116.66 122.05 2dhi n ARG 68 Ca 0.15 -0.03 0.13 0.00 -0.00 0.00 0.00 57.85 58.10 2dhi n ARG 68 Cb 0.45 -0.38 0.40 0.00 0.00 0.00 0.00 32.46 32.94 2dhi n ARG 68 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 2dhi n ASP 69 N -0.62 0.84 -4.63 6.15 5.75 -1.26 -4.91 116.55 117.87 2dhi n ASP 69 Ca 0.00 -0.71 -0.32 0.00 -0.01 0.00 0.00 54.79 53.74 2dhi n ASP 69 Cb 0.01 0.11 -0.07 0.00 -1.03 0.00 0.00 41.12 40.14 2dhi n ASP 69 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 2dhi n ILE 70 N -0.85 0.00 -3.82 2.12 -5.35 -1.26 -5.16 119.36 105.04 2dhi n ILE 70 Ca 0.11 -2.42 -0.13 0.00 -0.27 0.00 0.00 62.75 60.05 2dhi n ILE 70 Cb 0.34 0.52 -0.14 0.00 -1.74 0.00 0.00 39.64 38.61 2dhi n ILE 70 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2dhi s GLN 71 N -3.83 0.09 0.51 6.28 0.74 -1.26 -5.08 119.66 117.11 2dhi s GLN 71 Ca 0.02 0.17 -0.21 0.00 0.05 0.00 0.00 55.36 55.39 2dhi s GLN 71 Cb 0.00 -0.02 -0.06 0.00 1.10 0.00 0.00 33.01 34.03 2dhi s GLN 71 CO 0.01 -0.05 1.14 -1.25 -0.55 0.00 0.00 175.29 174.59 2dhi s PRO 72 N 0.34 3.51 0.00 1.67 0.04 -1.26 -5.04 135.00 134.25 2dhi s PRO 72 Ca -0.02 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2dhi s PRO 72 Cb -0.04 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2dhi s PRO 72 CO -0.01 -0.73 0.00 -0.35 0.04 0.00 0.00 177.00 175.95 2dhi n PRO 73 N -0.98 0.21 -2.76 0.56 -0.04 -1.26 -4.97 135.00 125.75 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 0.50 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.90 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 7.53 -1.39 3.54 1.01 -1.26 -3.89 116.67 120.70 2dhi s ASP 74 Ca 0.00 1.90 -0.03 0.00 0.71 0.00 0.00 52.55 55.13 2dhi s ASP 74 Cb 0.00 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.35 2dhi s ASP 74 CO 0.00 0.08 0.66 0.61 0.21 0.00 0.00 175.17 176.73 2dhi n GLY 75 N 1.15 -0.31 3.17 0.21 0.00 -1.26 -4.98 105.19 103.18 2dhi n GLY 75 Ca -0.01 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -6.30 0.27 0.00 1.61 -0.14 -1.25 -5.14 119.74 108.79 2dhi s LYS 76 Ca 0.14 0.86 0.00 0.00 -1.36 0.00 0.00 55.97 55.61 2dhi s LYS 76 Cb -0.07 0.12 0.00 0.00 -1.68 0.00 0.00 37.83 36.20 2dhi s LYS 76 CO 0.84 -0.24 0.00 -0.35 -0.76 0.00 0.00 175.35 174.85 2dhi n PRO 77 N 5.06 0.19 -0.05 -1.68 -0.04 -1.26 -4.59 135.00 132.63 2dhi n PRO 77 Ca -0.12 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.32 2dhi n PRO 77 Cb 0.51 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.82 2dhi n PRO 77 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2dhi n ARG 78 N -0.60 0.67 0.29 0.54 1.74 -1.26 -4.17 116.66 113.87 2dhi n ARG 78 Ca 0.00 -0.01 0.20 0.00 -0.77 0.00 0.00 57.85 57.26 2dhi n ARG 78 Cb 0.00 -1.58 0.99 0.00 -1.02 0.00 0.00 32.46 30.85 2dhi n ARG 78 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 2dhi h ASP 79 N 0.00 0.00 -0.52 0.55 3.04 -1.94 -0.12 116.42 117.42 2dhi h ASP 79 Ca -0.31 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.48 2dhi h ASP 79 Cb 1.76 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.05 2dhi h ASP 79 CO 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.23 2dhi s LEU 81 N -1.70 4.27 -0.02 0.00 1.43 -0.06 -0.24 118.68 122.36 2dhi s LEU 81 Ca 0.42 0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.94 2dhi s LEU 81 Cb 0.28 -2.18 -0.00 0.00 0.03 0.00 0.00 46.19 44.32 2dhi s LEU 81 CO 0.19 0.21 -0.11 -0.22 0.23 0.00 0.00 176.35 176.65 2dhi s LEU 82 N 0.04 1.92 0.16 1.79 2.96 -0.09 -2.94 118.68 122.52 2dhi s LEU 82 Ca 0.12 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 2dhi s LEU 82 Cb -0.12 -0.62 -0.05 0.00 0.50 0.00 0.00 46.19 45.91 2dhi s LEU 82 CO 0.01 0.11 -0.01 -1.58 -1.32 0.00 0.00 176.35 173.57 2dhi s GLN 83 N -0.06 1.08 -0.15 1.98 0.74 0.78 0.38 119.66 124.40 2dhi s GLN 83 Ca 0.01 -1.51 -0.04 0.00 0.05 0.00 0.00 55.36 53.86 2dhi s GLN 83 Cb -0.07 -0.27 0.06 0.00 1.10 0.00 0.00 33.01 33.84 2dhi s GLN 83 CO 0.00 -0.11 0.12 0.42 -0.55 0.00 0.00 175.29 175.17 2dhi s ILE 84 N -3.65 -0.15 -0.16 -2.34 -1.09 -0.91 -3.17 121.20 109.73 2dhi s ILE 84 Ca 0.22 -0.04 -0.25 0.00 -2.23 0.00 0.00 60.65 58.36 2dhi s ILE 84 Cb 0.06 -0.52 -0.02 0.00 -1.58 0.00 0.00 42.46 40.40 2dhi s ILE 84 CO 0.03 -0.18 0.80 -0.69 -1.23 0.00 0.00 174.94 173.67 2dhi s VAL 85 N 2.19 4.91 0.71 2.92 1.01 0.62 -2.19 120.40 130.58 2dhi s VAL 85 Ca 0.03 1.58 -0.04 0.00 0.00 0.00 0.00 61.98 63.56 2dhi s VAL 85 Cb -0.15 -4.11 0.10 0.00 0.00 0.00 0.00 36.38 32.22 2dhi s VAL 85 CO -0.09 0.06 1.00 0.00 0.00 0.00 0.00 175.10 176.07 2dhi h ARG 87 N -0.57 -0.71 -0.14 0.00 3.08 -1.50 -3.24 114.38 111.30 2dhi h ARG 87 Ca -0.40 0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.69 2dhi h ARG 87 Cb 1.28 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.48 2dhi h ARG 87 CO 0.47 -0.47 0.07 0.38 -1.07 0.00 0.00 179.97 179.35 2dhi h ASP 88 N -0.73 0.18 0.00 7.04 2.03 -1.96 -3.47 116.42 119.50 2dhi h ASP 88 Ca -0.07 -0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.13 2dhi h ASP 88 Cb 0.57 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.03 2dhi h ASP 88 CO 0.10 0.22 0.00 0.61 -1.03 0.00 0.00 179.24 179.14 2dhi n GLY 89 N -0.88 0.54 2.45 7.15 0.00 -1.22 -5.10 105.19 108.13 2dhi n GLY 89 Ca -0.05 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.92 1.61 4.81 -1.26 -4.16 118.16 115.24 2dhi n LYS 90 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.08 2dhi n LYS 90 Cb 0.00 -1.08 -0.08 0.00 0.02 0.00 0.00 35.03 33.90 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 5.73 5.19 -0.21 3.15 2.01 -1.26 -2.48 115.64 127.76 2dhi s THR 91 Ca 0.94 0.10 -0.06 0.00 0.31 0.00 0.00 61.69 62.98 2dhi s THR 91 Cb -0.96 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.22 2dhi s THR 91 CO 0.39 0.53 0.03 -0.63 -0.69 0.00 0.00 174.62 174.25 2dhi s ILE 92 N -0.30 4.14 -0.23 1.82 1.01 -0.93 -4.95 121.20 121.76 2dhi s ILE 92 Ca 0.10 -0.24 -0.16 0.00 0.00 0.00 0.00 60.65 60.35 2dhi s ILE 92 Cb -0.12 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 2dhi s ILE 92 CO 0.01 0.40 0.41 -0.44 0.00 0.00 0.00 174.94 175.32 2dhi s SER 93 N 1.14 6.38 0.20 3.58 0.01 -1.26 -2.14 113.70 121.61 2dhi s SER 93 Ca 0.03 0.45 0.04 0.00 1.31 0.00 0.00 55.95 57.78 2dhi s SER 93 Cb -0.14 -2.23 -0.05 0.00 0.21 0.00 0.00 66.02 63.81 2dhi s SER 93 CO 0.02 -0.14 -0.04 -0.76 0.41 0.00 0.00 173.24 172.73 2dhi s LEU 94 N 1.68 2.32 -0.09 2.44 1.43 0.16 -1.90 118.68 124.72 2dhi s LEU 94 Ca 0.18 -1.14 -0.08 0.00 -1.03 0.00 0.00 54.13 52.07 2dhi s LEU 94 Cb -0.15 -0.30 0.03 0.00 0.03 0.00 0.00 46.19 45.79 2dhi s LEU 94 CO 0.09 -0.44 0.24 0.00 0.23 0.00 0.00 176.35 176.47 2dhi s ALA 96 N 0.29 4.18 0.08 0.00 0.00 0.67 -2.13 121.76 124.85 2dhi s ALA 96 Ca -0.01 -1.41 -0.17 0.00 0.00 0.00 0.00 51.96 50.36 2dhi s ALA 96 Cb -0.03 -1.75 -0.10 0.00 0.00 0.00 0.00 23.12 21.24 2dhi s ALA 96 CO -0.01 -0.12 1.42 1.49 0.00 0.00 0.00 175.76 178.54 2dhi h GLU 97 N 0.78 0.56 -3.46 0.00 4.81 -1.87 -3.47 114.58 111.93 2dhi h GLU 97 Ca -0.45 -0.27 -0.11 0.00 -0.13 0.00 0.00 59.36 58.39 2dhi h GLU 97 Cb 1.26 -0.00 -0.18 0.00 0.63 0.00 0.00 28.75 30.46 2dhi h GLU 97 CO 0.53 0.85 -0.37 -1.12 -0.73 0.00 0.00 179.01 178.17 2dhi s SER 98 N -6.31 -0.01 0.32 1.04 0.01 -1.26 -5.01 113.70 102.47 2dhi s SER 98 Ca -0.13 -0.28 0.19 0.00 1.31 0.00 0.00 55.95 57.04 2dhi s SER 98 Cb 0.08 0.29 1.15 0.00 0.21 0.00 0.00 66.02 67.75 2dhi s SER 98 CO 0.79 -0.53 1.33 0.41 0.41 0.00 0.00 173.24 175.65 2dhi n THR 99 N 0.81 -0.34 -0.02 1.44 -1.04 -1.26 0.16 114.28 114.03 2dhi n THR 99 Ca -0.19 1.69 -0.11 0.00 -2.04 0.00 0.00 64.05 63.40 2dhi n THR 99 Cb 0.58 -2.75 -0.04 0.00 -1.82 0.00 0.00 70.33 66.30 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 0.18 -0.76 8.00 5.19 -1.95 0.21 116.42 127.29 2dhi h ASP 100 Ca 0.72 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 57.11 2dhi h ASP 100 Cb 1.96 -0.04 -0.04 0.00 0.18 0.00 0.00 39.33 41.39 2dhi h ASP 100 CO -0.62 0.14 0.47 -0.78 -3.12 0.00 0.00 179.24 175.33 2dhi h ASP 101 N 0.20 0.90 -0.08 6.45 1.82 0.12 -0.88 116.42 124.95 2dhi h ASP 101 Ca 0.06 -0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.64 2dhi h ASP 101 Cb -0.01 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 39.77 2dhi h ASP 101 CO -0.01 0.68 0.03 0.00 -1.61 0.00 0.00 179.24 178.33 2dhi h LEU 103 N -0.06 0.33 -0.06 0.00 3.38 -0.75 -0.01 115.31 118.15 2dhi h LEU 103 Ca 0.03 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2dhi h LEU 103 Cb 0.20 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 2dhi h LEU 103 CO -0.00 0.24 -0.23 0.00 0.09 0.00 0.00 178.44 178.53 2dhi h ALA 104 N 1.20 -0.26 0.70 1.53 0.00 -1.08 -0.87 119.26 120.48 2dhi h ALA 104 Ca 0.17 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2dhi h ALA 104 Cb 0.06 0.43 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2dhi h ALA 104 CO -0.11 -0.72 -0.34 -1.49 0.00 0.00 0.00 179.25 176.60 2dhi h TRP 105 N -0.34 -0.87 -0.86 0.00 4.06 -1.19 -1.40 115.95 115.35 2dhi h TRP 105 Ca 0.08 -0.02 0.21 0.00 2.06 0.00 0.00 58.89 61.22 2dhi h TRP 105 Cb 0.45 0.29 -0.15 0.00 -1.00 0.00 0.00 29.16 28.74 2dhi h TRP 105 CO -0.30 -0.53 -0.00 -0.22 -3.56 0.00 0.00 178.44 173.82 2dhi h LYS 106 N -0.98 0.06 -0.07 0.49 3.64 -0.86 0.32 116.57 119.17 2dhi h LYS 106 Ca -0.10 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2dhi h LYS 106 Cb 0.73 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2dhi h LYS 106 CO 0.16 0.04 0.03 0.74 -2.27 0.00 0.00 179.45 178.15 2dhi h PHE 107 N 0.07 0.11 -0.71 1.91 0.04 -0.99 0.42 116.94 117.79 2dhi h PHE 107 Ca 0.49 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 61.30 2dhi h PHE 107 Cb 0.91 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.98 2dhi h PHE 107 CO -0.48 0.23 0.47 1.15 -0.60 0.00 0.00 178.31 179.08 2dhi h THR 108 N -0.04 1.07 -0.11 -1.55 2.02 0.36 -1.32 112.91 113.34 2dhi h THR 108 Ca 0.02 -0.28 -0.16 0.00 0.77 0.00 0.00 66.41 66.77 2dhi h THR 108 Cb 0.17 0.19 0.01 0.00 -1.74 0.00 0.00 68.15 66.77 2dhi h THR 108 CO -0.00 0.15 -0.55 -0.07 0.37 0.00 0.00 175.52 175.42 2dhi h LEU 109 N 0.80 0.67 -2.30 2.58 3.38 -0.25 -2.07 115.31 118.12 2dhi h LEU 109 Ca 0.29 -0.64 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 2dhi h LEU 109 Cb 0.15 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2dhi h LEU 109 CO -0.09 1.20 -0.04 1.56 0.09 0.00 0.00 178.44 181.17 2dhi h GLN 110 N 0.18 0.00 0.15 1.13 1.08 -0.37 -2.59 115.11 114.70 2dhi h GLN 110 Ca -0.04 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.84 2dhi h GLN 110 Cb 1.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 2dhi h GLN 110 CO 0.11 0.04 -1.64 0.22 -0.95 0.00 0.00 178.83 176.61 2dhi h ASP 111 N 0.00 0.51 0.00 1.46 3.58 -1.17 -3.31 116.42 117.49 2dhi h ASP 111 Ca -0.00 -0.91 0.00 0.00 0.42 0.00 0.00 57.03 56.54 2dhi h ASP 111 Cb 0.20 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.09 2dhi h ASP 111 CO 0.00 1.73 0.04 -1.54 -2.88 0.00 0.00 179.24 176.59 2dhi n SER 112 N -3.72 0.38 0.42 2.28 3.41 -0.79 -2.45 113.62 113.16 2dhi n SER 112 Ca -0.26 0.66 -0.18 0.00 -0.26 0.00 0.00 58.87 58.84 2dhi n SER 112 Cb 1.00 -0.70 -0.09 0.00 -0.26 0.00 0.00 64.21 64.17 2dhi n SER 112 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2dhi h ARG 113 N 0.00 -1.04 -0.13 4.33 3.08 -1.62 -2.92 114.38 116.09 2dhi h ARG 113 Ca 0.00 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2dhi h ARG 113 Cb 0.07 0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2dhi h ARG 113 CO 0.00 -0.68 0.00 -2.37 -1.07 0.00 0.00 179.97 175.85 2dhi n THR 114 N -5.51 0.17 -3.76 2.04 5.66 -1.03 -4.67 114.28 107.19 2dhi n THR 114 Ca -0.14 -0.21 -0.37 0.00 -3.05 0.00 0.00 64.05 60.28 2dhi n THR 114 Cb 0.43 0.08 -0.12 0.00 -1.55 0.00 0.00 70.33 69.17 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 -1.31 5.28 0.00 1.09 0.15 -1.08 -4.84 113.70 112.99 2dhi s SER 115 Ca 0.22 -1.60 0.00 0.00 0.70 0.00 0.00 55.95 55.27 2dhi s SER 115 Cb 0.11 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.57 2dhi s SER 115 CO 0.17 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2dhi n GLY 116 N 4.71 -0.28 3.77 9.45 0.00 -1.26 -4.28 105.19 117.30 2dhi n GLY 116 Ca -0.08 0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 4.15 0.02 1.61 0.04 -1.26 -5.05 135.00 134.51 2dhi s PRO 117 Ca 0.00 1.94 0.06 0.00 0.04 0.00 0.00 61.00 63.04 2dhi s PRO 117 Cb 0.00 -2.80 -0.03 0.00 0.04 0.00 0.00 34.50 31.71 2dhi s PRO 117 CO 0.00 -0.26 -0.17 -1.54 0.04 0.00 0.00 177.00 175.07 2dhi s SER 118 N -0.95 3.86 0.04 6.66 1.04 -1.26 -5.04 113.70 118.04 2dhi s SER 118 Ca 0.54 -0.36 -0.24 0.00 0.48 0.00 0.00 55.95 56.37 2dhi s SER 118 Cb -0.33 -0.67 -0.17 0.00 0.10 0.00 0.00 66.02 64.94 2dhi s SER 118 CO 0.42 0.28 1.53 -1.28 0.98 0.00 0.00 173.24 175.17 2dhi h SER 119 N 4.75 -0.04 0.00 7.02 0.87 -2.02 -3.56 113.55 120.57 2dhi h SER 119 Ca -0.47 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 59.89 2dhi h SER 119 Cb 1.15 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2dhi h SER 119 CO 0.49 0.17 0.00 0.61 -0.53 0.00 0.00 176.83 177.57