#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 4.48 0.16 1.61 0.15 -1.26 -4.95 113.70 113.89 2dhi s SER 2 Ca 0.00 1.65 -0.25 0.00 0.70 0.00 0.00 55.95 58.04 2dhi s SER 2 Cb 0.00 -2.39 0.02 0.00 -1.71 0.00 0.00 66.02 61.94 2dhi s SER 2 CO 0.00 -2.02 1.58 -1.28 1.20 0.00 0.00 173.24 172.72 2dhi h SER 3 N -1.12 -1.28 0.00 5.45 0.87 -2.11 -3.46 113.55 111.90 2dhi h SER 3 Ca -0.45 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2dhi h SER 3 Cb 1.24 0.57 0.00 0.00 -0.44 0.00 0.00 62.40 63.77 2dhi h SER 3 CO 0.54 -0.35 0.00 0.61 -0.53 0.00 0.00 176.83 177.10 2dhi n GLY 4 N -1.42 3.23 3.13 5.77 0.00 -1.26 -5.05 105.19 109.59 2dhi n GLY 4 Ca -0.00 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 1.73 -0.05 1.61 1.04 -1.26 -5.14 113.70 111.63 2dhi s SER 5 Ca 0.00 -0.31 0.06 0.00 0.48 0.00 0.00 55.95 56.18 2dhi s SER 5 Cb 0.00 -0.17 -0.01 0.00 0.10 0.00 0.00 66.02 65.93 2dhi s SER 5 CO 0.00 0.15 -0.23 -0.55 0.98 0.00 0.00 173.24 173.59 2dhi s SER 6 N -0.52 2.85 -0.11 7.02 0.15 -1.26 -5.13 113.70 116.70 2dhi s SER 6 Ca 0.05 -0.47 -0.13 0.00 0.70 0.00 0.00 55.95 56.11 2dhi s SER 6 Cb -0.06 -0.67 -0.05 0.00 -1.71 0.00 0.00 66.02 63.53 2dhi s SER 6 CO -0.00 0.24 0.29 -0.83 1.20 0.00 0.00 173.24 174.14 2dhi s GLY 7 N -0.23 2.27 0.02 9.45 0.00 -1.26 -5.08 107.32 112.50 2dhi s GLY 7 Ca -0.00 -0.43 -0.18 0.00 0.00 0.00 0.00 44.72 44.11 2dhi s GLY 7 CO 0.02 0.19 0.51 -1.36 0.00 0.00 0.00 173.10 172.46 2dhi s PHE 8 N -0.27 3.74 0.12 1.90 0.08 -1.26 -4.17 117.98 118.12 2dhi s PHE 8 Ca 0.18 1.13 -0.29 0.00 0.12 0.00 0.00 56.93 58.07 2dhi s PHE 8 Cb -0.14 -2.44 -0.08 0.00 -0.57 0.00 0.00 43.02 39.79 2dhi s PHE 8 CO 0.06 0.54 1.59 0.28 -0.10 0.00 0.00 175.22 177.60 2dhi h VAL 9 N 3.78 0.20 -2.95 -0.44 2.07 -0.65 -3.42 116.25 114.84 2dhi h VAL 9 Ca -0.49 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 66.79 2dhi h VAL 9 Cb 1.21 0.20 -0.33 0.00 -1.52 0.00 0.00 31.29 30.85 2dhi h VAL 9 CO 0.65 0.00 -0.56 -0.75 0.02 0.00 0.00 177.57 176.93 2dhi s LYS 10 N -5.93 0.12 -0.11 1.57 2.20 -1.26 -5.02 119.74 111.31 2dhi s LYS 10 Ca -0.16 0.67 0.02 0.00 -0.36 0.00 0.00 55.97 56.14 2dhi s LYS 10 Cb 0.08 -0.11 -0.01 0.00 -1.51 0.00 0.00 37.83 36.28 2dhi s LYS 10 CO 0.64 -0.28 -0.16 -1.54 -0.36 0.00 0.00 175.35 173.65 2dhi s SER 11 N 2.26 3.75 0.25 1.43 1.04 -1.26 -2.95 113.70 118.22 2dhi s SER 11 Ca 0.01 -0.37 -0.20 0.00 0.48 0.00 0.00 55.95 55.87 2dhi s SER 11 Cb -0.12 -1.41 0.07 0.00 0.10 0.00 0.00 66.02 64.66 2dhi s SER 11 CO -0.08 0.19 0.97 -0.83 0.98 0.00 0.00 173.24 174.47 2dhi s GLY 12 N 0.17 0.23 -0.10 7.32 0.00 -1.11 -5.04 107.32 108.80 2dhi s GLY 12 Ca -0.09 -0.52 -0.11 0.00 0.00 0.00 0.00 44.72 44.00 2dhi s GLY 12 CO 0.06 1.79 0.26 -0.98 0.00 0.00 0.00 173.10 174.22 2dhi s TRP 13 N -2.09 3.60 -0.05 1.90 0.52 -1.26 -1.80 118.94 119.75 2dhi s TRP 13 Ca 0.21 0.67 -0.15 0.00 0.02 0.00 0.00 56.10 56.85 2dhi s TRP 13 Cb -0.04 -2.15 0.03 0.00 -1.15 0.00 0.00 33.47 30.16 2dhi s TRP 13 CO 0.08 0.57 0.34 -0.51 0.02 0.00 0.00 176.95 177.45 2dhi s LEU 14 N -0.63 0.71 0.50 2.99 1.43 -0.37 -4.70 118.68 118.61 2dhi s LEU 14 Ca 0.18 0.31 -0.15 0.00 -1.03 0.00 0.00 54.13 53.44 2dhi s LEU 14 Cb -0.14 1.32 -0.08 0.00 0.03 0.00 0.00 46.19 47.33 2dhi s LEU 14 CO 0.06 -0.36 0.95 -0.76 0.23 0.00 0.00 176.35 176.48 2dhi s LEU 15 N -0.85 3.64 -0.09 1.79 1.43 -0.70 0.10 118.68 124.00 2dhi s LEU 15 Ca -0.09 1.50 -0.04 0.00 -1.03 0.00 0.00 54.13 54.47 2dhi s LEU 15 Cb -0.04 -4.43 0.05 0.00 0.03 0.00 0.00 46.19 41.80 2dhi s LEU 15 CO 0.03 -0.57 0.19 -0.60 0.23 0.00 0.00 176.35 175.63 2dhi s ARG 16 N -4.07 0.10 -0.64 1.70 3.52 -0.64 -2.43 118.95 116.48 2dhi s ARG 16 Ca 0.58 0.54 -0.27 0.00 -0.13 0.00 0.00 55.73 56.44 2dhi s ARG 16 Cb -0.10 -0.18 0.03 0.00 -1.56 0.00 0.00 34.95 33.14 2dhi s ARG 16 CO 0.32 -0.24 1.21 -1.14 -0.81 0.00 0.00 175.30 174.63 2dhi s GLN 17 N 1.86 3.38 0.69 5.12 0.74 -0.52 -2.71 119.66 128.22 2dhi s GLN 17 Ca -0.02 0.02 -0.11 0.00 0.05 0.00 0.00 55.36 55.30 2dhi s GLN 17 Cb -0.12 -4.08 0.01 0.00 1.10 0.00 0.00 33.01 29.92 2dhi s GLN 17 CO -0.07 -1.85 1.06 0.45 -0.55 0.00 0.00 175.29 174.33 2dhi s SER 18 N 3.26 5.45 0.30 6.67 0.15 -1.18 -4.62 113.70 123.74 2dhi s SER 18 Ca 0.39 1.50 0.22 0.00 0.70 0.00 0.00 55.95 58.76 2dhi s SER 18 Cb -0.08 -2.39 0.14 0.00 -1.71 0.00 0.00 66.02 61.97 2dhi s SER 18 CO 0.21 -1.38 1.29 0.74 1.20 0.00 0.00 173.24 175.30 2dhi h THR 19 N -0.68 0.10 0.04 6.45 2.02 -1.95 -1.70 112.91 117.20 2dhi h THR 19 Ca -0.44 -1.16 -0.36 0.00 0.77 0.00 0.00 66.41 65.21 2dhi h THR 19 Cb 1.22 1.81 -0.05 0.00 -1.74 0.00 0.00 68.15 69.39 2dhi h THR 19 CO 0.59 0.06 -2.16 -0.38 0.37 0.00 0.00 175.52 173.99 2dhi n ILE 20 N -2.91 1.59 0.80 3.11 2.08 -1.26 -4.26 119.36 118.51 2dhi n ILE 20 Ca 0.01 -0.69 0.12 0.00 0.56 0.00 0.00 62.75 62.75 2dhi n ILE 20 Cb 0.58 -1.29 0.20 0.00 -0.75 0.00 0.00 39.64 38.37 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 -3.21 0.58 -3.96 1.39 4.77 -1.26 -4.94 117.00 110.37 2dhi n LEU 21 Ca -0.34 0.09 -0.32 0.00 -0.03 0.00 0.00 56.01 55.41 2dhi n LEU 21 Cb 1.05 -0.21 -0.07 0.00 -2.33 0.00 0.00 43.42 41.86 2dhi n LEU 21 CO 0.38 0.05 -0.20 0.29 -1.33 0.00 0.00 177.39 176.58 2dhi n LYS 22 N -1.77 -0.82 -3.81 3.23 5.02 -0.64 -4.84 118.16 114.52 2dhi n LYS 22 Ca 0.04 0.10 -0.09 0.00 -2.02 0.00 0.00 58.31 56.35 2dhi n LYS 22 Cb 0.38 -3.53 -0.04 0.00 -0.02 0.00 0.00 35.03 31.83 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 -6.18 1.52 -0.15 1.97 1.70 -1.26 -4.96 118.95 111.59 2dhi s ARG 23 Ca 0.48 -0.97 -0.26 0.00 -0.47 0.00 0.00 55.73 54.51 2dhi s ARG 23 Cb -0.28 0.54 -0.01 0.00 -0.57 0.00 0.00 34.95 34.62 2dhi s ARG 23 CO 0.82 -0.66 0.87 -1.58 -1.08 0.00 0.00 175.30 173.67 2dhi s TRP 24 N -3.91 3.44 -0.09 5.89 0.52 -1.26 -3.08 118.94 120.45 2dhi s TRP 24 Ca 0.12 1.33 0.02 0.00 0.02 0.00 0.00 56.10 57.60 2dhi s TRP 24 Cb -0.02 -3.05 0.01 0.00 -1.15 0.00 0.00 33.47 29.26 2dhi s TRP 24 CO 0.02 -0.23 -0.15 -1.59 0.02 0.00 0.00 176.95 175.02 2dhi s LYS 25 N 2.10 2.08 0.06 4.98 -2.85 -1.10 -4.87 119.74 120.15 2dhi s LYS 25 Ca 0.41 -0.53 -0.30 0.00 -1.00 0.00 0.00 55.97 54.54 2dhi s LYS 25 Cb -0.17 -1.71 -0.09 0.00 -2.06 0.00 0.00 37.83 33.80 2dhi s LYS 25 CO 0.14 0.02 1.90 0.21 0.10 0.00 0.00 175.35 177.72 2dhi s LYS 26 N 0.74 4.14 0.43 1.78 2.47 -1.26 -1.62 119.74 126.41 2dhi s LYS 26 Ca -0.12 2.58 0.03 0.00 -1.56 0.00 0.00 55.97 56.90 2dhi s LYS 26 Cb -0.16 -3.97 -0.03 0.00 -1.46 0.00 0.00 37.83 32.21 2dhi s LYS 26 CO 0.03 -0.91 0.08 -0.80 0.16 0.00 0.00 175.35 173.91 2dhi s ASN 27 N 3.82 3.18 -0.27 1.43 0.02 0.11 -4.93 114.94 118.29 2dhi s ASN 27 Ca 0.85 -1.62 0.01 0.00 -1.02 0.00 0.00 52.86 51.08 2dhi s ASN 27 Cb -0.43 0.40 0.06 0.00 0.02 0.00 0.00 41.25 41.29 2dhi s ASN 27 CO 0.39 -0.85 -0.08 0.86 0.02 0.00 0.00 177.10 177.44 2dhi s TRP 28 N -3.10 3.25 0.20 2.20 -0.11 -1.14 -1.23 118.94 119.01 2dhi s TRP 28 Ca 0.21 -2.16 0.02 0.00 1.22 0.00 0.00 56.10 55.39 2dhi s TRP 28 Cb 0.03 -1.98 -0.04 0.00 -1.50 0.00 0.00 33.47 29.98 2dhi s TRP 28 CO 0.12 -0.85 0.35 -0.06 -4.62 0.00 0.00 176.95 171.88 2dhi s PHE 29 N 1.15 3.48 -0.29 5.86 0.40 -0.74 0.16 117.98 127.99 2dhi s PHE 29 Ca -0.07 0.14 -0.03 0.00 -0.60 0.00 0.00 56.93 56.37 2dhi s PHE 29 Cb -0.20 -1.70 0.17 0.00 0.51 0.00 0.00 43.02 41.81 2dhi s PHE 29 CO -0.04 0.44 0.59 -0.51 0.70 0.00 0.00 175.22 176.40 2dhi s ASP 30 N -3.47 -1.17 0.08 1.36 1.11 -0.71 -2.73 116.67 111.13 2dhi s ASP 30 Ca 0.36 0.99 -0.22 0.00 0.18 0.00 0.00 52.55 53.86 2dhi s ASP 30 Cb -0.10 2.09 -0.07 0.00 1.07 0.00 0.00 42.92 45.91 2dhi s ASP 30 CO 0.29 -0.25 0.66 -0.22 1.18 0.00 0.00 175.17 176.83 2dhi s LEU 31 N 2.84 4.52 0.63 1.23 2.96 -1.15 -2.02 118.68 127.68 2dhi s LEU 31 Ca 0.14 1.37 -0.01 0.00 -0.22 0.00 0.00 54.13 55.41 2dhi s LEU 31 Cb -0.14 -3.05 0.06 0.00 0.50 0.00 0.00 46.19 43.56 2dhi s LEU 31 CO -0.20 0.19 0.88 0.26 -1.32 0.00 0.00 176.35 176.16 2dhi s TRP 32 N -0.81 2.54 0.20 5.38 0.52 0.11 -0.02 118.94 126.87 2dhi s TRP 32 Ca 0.32 0.01 0.14 0.00 0.02 0.00 0.00 56.10 56.59 2dhi s TRP 32 Cb -0.20 -2.91 0.43 0.00 -1.15 0.00 0.00 33.47 29.64 2dhi s TRP 32 CO 0.21 -1.20 1.63 1.03 0.02 0.00 0.00 176.95 178.64 2dhi h SER 33 N -0.22 0.00 -0.11 2.95 0.87 -1.86 -2.71 113.55 112.48 2dhi h SER 33 Ca -0.41 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 2dhi h SER 33 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2dhi h SER 33 CO 0.50 0.54 0.00 0.47 -0.53 0.00 0.00 176.83 177.82 2dhi n ASP 34 N -3.65 0.90 0.00 6.23 9.92 -1.26 -4.90 116.55 123.80 2dhi n ASP 34 Ca -0.01 -1.66 0.00 0.00 -0.53 0.00 0.00 54.79 52.59 2dhi n ASP 34 Cb 0.60 -0.07 0.00 0.00 -0.64 0.00 0.00 41.12 41.01 2dhi n ASP 34 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dhi n GLY 35 N 0.93 2.90 3.49 0.44 0.00 -1.02 -5.00 105.19 106.92 2dhi n GLY 35 Ca 0.13 -0.54 -0.49 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 0.37 -5.17 1.61 8.25 -1.26 -4.22 115.22 114.80 2dhi n HIS 36 Ca 0.00 0.87 -0.31 0.00 -0.26 0.00 0.00 57.72 58.02 2dhi n HIS 36 Cb 0.00 -2.10 -0.17 0.00 1.12 0.00 0.00 29.99 28.84 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 1.61 2.05 -0.02 2.41 2.96 0.21 0.05 118.68 127.94 2dhi s LEU 37 Ca 0.68 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 54.07 2dhi s LEU 37 Cb -0.92 -1.35 0.02 0.00 0.50 0.00 0.00 46.19 44.44 2dhi s LEU 37 CO 0.56 0.16 -0.02 -0.63 -1.32 0.00 0.00 176.35 175.10 2dhi s ILE 38 N 0.29 0.31 0.12 6.68 1.01 -0.85 -0.90 121.20 127.86 2dhi s ILE 38 Ca -0.16 -0.05 0.10 0.00 0.00 0.00 0.00 60.65 60.54 2dhi s ILE 38 Cb -0.17 -0.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 2dhi s ILE 38 CO 0.08 0.15 -0.25 -0.72 0.00 0.00 0.00 174.94 174.20 2dhi s TYR 39 N 0.64 2.36 0.52 3.97 1.13 -1.13 -1.75 117.35 123.10 2dhi s TYR 39 Ca -0.07 -0.35 0.03 0.00 -1.41 0.00 0.00 57.07 55.27 2dhi s TYR 39 Cb -0.10 -1.28 0.03 0.00 -1.10 0.00 0.00 41.96 39.51 2dhi s TYR 39 CO -0.01 0.34 0.24 0.66 -2.51 0.00 0.00 175.55 174.28 2dhi n TYR 40 N 0.92 0.08 0.10 -3.49 4.02 0.12 -2.02 117.16 116.90 2dhi n TYR 40 Ca -0.17 -2.34 -0.17 0.00 -0.01 0.00 0.00 57.90 55.21 2dhi n TYR 40 Cb 0.53 -0.39 -0.14 0.00 -0.02 0.00 0.00 39.34 39.31 2dhi n TYR 40 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 2dhi h ASP 41 N 0.85 0.47 -5.12 7.72 5.19 -1.74 -3.01 116.42 120.80 2dhi h ASP 41 Ca -0.37 -0.52 -0.09 0.00 -0.62 0.00 0.00 57.03 55.43 2dhi h ASP 41 Cb 1.24 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.59 2dhi h ASP 41 CO 0.59 1.41 0.18 -1.81 -3.12 0.00 0.00 179.24 176.50 2dhi s ASP 42 N -7.18 0.25 0.65 6.45 1.01 -1.26 -4.58 116.67 112.01 2dhi s ASP 42 Ca -0.05 -1.28 0.34 0.00 0.71 0.00 0.00 52.55 52.27 2dhi s ASP 42 Cb 0.07 0.83 1.85 0.00 1.01 0.00 0.00 42.92 46.68 2dhi s ASP 42 CO 0.89 -1.65 2.08 0.06 0.21 0.00 0.00 175.17 176.76 2dhi h GLN 43 N 2.01 0.00 -0.09 8.23 -0.00 -1.97 0.09 115.11 123.38 2dhi h GLN 43 Ca -0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.31 2dhi h GLN 43 Cb 1.25 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.72 2dhi h GLN 43 CO 0.42 0.00 0.01 1.79 -0.00 0.00 0.00 178.83 181.04 2dhi h THR 44 N 0.00 1.06 -5.71 1.86 1.35 -2.00 -3.46 112.91 106.01 2dhi h THR 44 Ca 0.03 -0.21 -0.42 0.00 -0.55 0.00 0.00 66.41 65.25 2dhi h THR 44 Cb 0.48 0.99 0.06 0.00 -1.73 0.00 0.00 68.15 67.95 2dhi h THR 44 CO -0.00 0.07 -0.68 0.54 -0.25 0.00 0.00 175.52 175.20 2dhi n ARG 45 N -4.47 -6.43 -0.10 4.72 1.74 0.02 -4.89 116.66 107.25 2dhi n ARG 45 Ca -0.02 0.75 -0.14 0.00 -0.77 0.00 0.00 57.85 57.68 2dhi n ARG 45 Cb 0.13 -5.71 -0.10 0.00 -1.02 0.00 0.00 32.46 25.76 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 -4.66 0.57 -3.24 5.56 1.13 -1.26 -4.76 117.38 110.71 2dhi n GLN 46 Ca -0.00 0.11 -0.45 0.00 -1.94 0.00 0.00 57.00 54.72 2dhi n GLN 46 Cb 0.56 -1.42 -0.00 0.00 0.11 0.00 0.00 30.24 29.48 2dhi n GLN 46 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2dhi s SER 47 N -5.99 7.16 -0.71 1.08 0.01 -1.26 -4.99 113.70 109.01 2dhi s SER 47 Ca -0.27 -3.28 -0.25 0.00 1.31 0.00 0.00 55.95 53.46 2dhi s SER 47 Cb 0.07 -2.26 -0.14 0.00 0.21 0.00 0.00 66.02 63.90 2dhi s SER 47 CO 0.50 -0.46 2.42 -0.38 0.41 0.00 0.00 173.24 175.73 2dhi n ILE 48 N 3.40 -0.04 -0.05 1.44 5.41 -1.26 -2.14 119.36 126.13 2dhi n ILE 48 Ca 0.25 -0.57 -0.05 0.00 1.00 0.00 0.00 62.75 63.38 2dhi n ILE 48 Cb 0.41 -1.97 -0.04 0.00 -0.71 0.00 0.00 39.64 37.34 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 15.36 -0.14 -2.59 0.38 5.08 -1.66 -3.47 114.58 127.54 2dhi h GLU 49 Ca -0.10 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.40 2dhi h GLU 49 Cb 1.16 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 2dhi h GLU 49 CO 1.18 -0.09 0.51 0.34 -1.00 0.00 0.00 179.01 179.94 2dhi s ASP 50 N -3.53 -0.03 -0.02 1.42 2.15 -1.19 -5.06 116.67 110.42 2dhi s ASP 50 Ca -0.05 -0.71 0.00 0.00 0.43 0.00 0.00 52.55 52.22 2dhi s ASP 50 Cb 0.03 0.56 0.02 0.00 -0.30 0.00 0.00 42.92 43.23 2dhi s ASP 50 CO 0.22 -1.11 0.02 -0.75 -0.17 0.00 0.00 175.17 173.38 2dhi s LYS 51 N -2.39 0.04 -0.02 4.34 2.20 -1.26 -2.85 119.74 119.81 2dhi s LYS 51 Ca 0.19 0.11 -0.11 0.00 -0.36 0.00 0.00 55.97 55.81 2dhi s LYS 51 Cb -0.03 -0.24 0.01 0.00 -1.51 0.00 0.00 37.83 36.06 2dhi s LYS 51 CO 0.06 -0.12 0.23 0.08 -0.36 0.00 0.00 175.35 175.24 2dhi s VAL 52 N 0.79 0.06 0.51 4.02 1.01 -0.08 -5.03 120.40 121.69 2dhi s VAL 52 Ca -0.07 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 2dhi s VAL 52 Cb -0.10 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.79 2dhi s VAL 52 CO -0.02 -0.27 0.75 -2.28 0.00 0.00 0.00 175.10 173.28 2dhi s HIS 53 N -1.15 3.10 -0.00 5.22 2.46 -1.26 -0.62 115.29 123.03 2dhi s HIS 53 Ca -0.12 0.22 -0.00 0.00 0.47 0.00 0.00 55.06 55.63 2dhi s HIS 53 Cb -0.06 -2.55 -0.00 0.00 -0.13 0.00 0.00 32.58 29.84 2dhi s HIS 53 CO 0.03 -0.64 -0.00 -1.33 -2.47 0.00 0.00 174.74 170.33 2dhi n MET 54 N -2.27 0.00 0.00 2.88 2.81 -1.26 -2.71 117.12 116.57 2dhi n MET 54 Ca 0.04 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.99 2dhi n MET 54 Cb 0.58 -0.47 0.31 0.00 -0.71 0.00 0.00 33.22 32.93 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 -2.52 0.49 0.00 0.03 -0.04 -1.26 -0.51 135.00 131.20 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 32.13 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 0.04 -0.02 0.52 0.31 -1.26 -4.87 118.33 112.21 2dhi n VAL 56 Ca 0.08 0.01 -0.20 0.00 -0.01 0.00 0.00 64.34 64.22 2dhi n VAL 56 Cb 0.04 -1.39 -0.13 0.00 -0.91 0.00 0.00 33.84 31.44 2dhi n VAL 56 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2dhi h ASP 57 N 0.00 0.26 -3.38 4.52 1.82 -1.57 -3.45 116.42 114.62 2dhi h ASP 57 Ca 0.00 -0.81 -0.56 0.00 -0.39 0.00 0.00 57.03 55.27 2dhi h ASP 57 Cb 0.86 -0.08 -0.05 0.00 0.68 0.00 0.00 39.33 40.74 2dhi h ASP 57 CO 0.00 1.49 0.10 0.00 -1.61 0.00 0.00 179.24 179.22 2dhi n ILE 59 N 3.20 0.69 -4.14 0.00 -5.35 0.60 -4.27 119.36 110.08 2dhi n ILE 59 Ca -0.03 -0.35 -0.13 0.00 -0.27 0.00 0.00 62.75 61.97 2dhi n ILE 59 Cb 0.51 -0.83 -0.11 0.00 -1.74 0.00 0.00 39.64 37.48 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 -4.62 1.17 -0.17 7.28 2.47 -1.15 -5.04 114.94 114.88 2dhi s ASN 60 Ca -0.10 -0.80 -0.01 0.00 0.42 0.00 0.00 52.86 52.37 2dhi s ASN 60 Cb 0.03 0.05 0.04 0.00 -1.45 0.00 0.00 41.25 39.93 2dhi s ASN 60 CO 0.35 -0.31 -0.04 -0.63 -3.72 0.00 0.00 177.10 172.75 2dhi s ILE 61 N -2.53 1.03 0.06 -5.21 1.01 -1.26 -1.66 121.20 112.64 2dhi s ILE 61 Ca 0.03 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 60.09 2dhi s ILE 61 Cb -0.02 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 2dhi s ILE 61 CO -0.02 0.07 -0.05 -0.13 0.00 0.00 0.00 174.94 174.81 2dhi s ARG 62 N 1.66 2.46 -0.03 2.79 0.52 -1.19 -5.01 118.95 120.16 2dhi s ARG 62 Ca 0.00 -0.83 -0.01 0.00 -0.52 0.00 0.00 55.73 54.38 2dhi s ARG 62 Cb -0.16 -2.48 0.03 0.00 0.52 0.00 0.00 34.95 32.86 2dhi s ARG 62 CO -0.07 0.56 0.05 0.95 0.02 0.00 0.00 175.30 176.81 2dhi s THR 63 N -1.15 -0.05 0.00 0.02 -4.23 -1.26 -1.14 115.64 107.82 2dhi s THR 63 Ca 0.21 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 2dhi s THR 63 Cb -0.11 -0.10 0.00 0.00 1.34 0.00 0.00 72.50 73.62 2dhi s THR 63 CO 0.13 0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.89 2dhi n GLY 64 N 4.04 0.32 0.29 3.99 0.00 -1.20 -3.54 105.19 109.10 2dhi n GLY 64 Ca -0.26 -1.00 0.14 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.97 1.61 3.86 -1.93 -1.86 115.15 115.85 2dhi h HIS 65 Ca 0.00 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 2dhi h HIS 65 Cb 0.00 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.41 2dhi h HIS 65 CO 0.00 0.00 0.64 0.93 0.86 0.00 0.00 177.93 180.36 2dhi h GLU 66 N 0.00 1.20 -6.69 2.45 4.39 -1.95 -3.43 114.58 110.55 2dhi h GLU 66 Ca 0.00 -0.07 -0.35 0.00 0.34 0.00 0.00 59.36 59.28 2dhi h GLU 66 Cb 0.02 -0.27 0.20 0.00 -0.10 0.00 0.00 28.75 28.60 2dhi h GLU 66 CO -0.00 0.79 -0.30 0.00 -1.16 0.00 0.00 179.01 178.35 2dhi n ARG 68 N -4.08 -1.23 -0.50 0.00 0.63 -1.26 -4.72 116.66 105.51 2dhi n ARG 68 Ca 0.08 -0.50 -0.01 0.00 -0.92 0.00 0.00 57.85 56.50 2dhi n ARG 68 Cb 0.52 -0.91 0.00 0.00 0.45 0.00 0.00 32.46 32.53 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 -1.85 5.29 -2.99 6.15 -0.08 -1.26 -4.87 116.55 116.94 2dhi n ASP 69 Ca 0.05 -2.43 -0.13 0.00 -1.51 0.00 0.00 54.79 50.77 2dhi n ASP 69 Cb 0.20 -1.09 0.08 0.00 2.34 0.00 0.00 41.12 42.66 2dhi n ASP 69 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 2dhi n ILE 70 N 1.37 0.00 -3.81 5.18 -5.35 -1.26 -5.12 119.36 110.36 2dhi n ILE 70 Ca 0.02 -0.54 -0.12 0.00 -0.27 0.00 0.00 62.75 61.83 2dhi n ILE 70 Cb 0.51 -1.59 -0.12 0.00 -1.74 0.00 0.00 39.64 36.70 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 -4.17 0.27 0.73 6.28 -2.07 -1.26 -5.10 119.66 114.35 2dhi s GLN 71 Ca 0.34 0.16 -0.12 0.00 -1.82 0.00 0.00 55.36 53.92 2dhi s GLN 71 Cb -0.01 0.13 0.04 0.00 -1.09 0.00 0.00 33.01 32.07 2dhi s GLN 71 CO 0.24 -0.04 1.10 -1.25 -1.32 0.00 0.00 175.29 174.01 2dhi s PRO 72 N -0.15 2.44 0.61 9.60 0.04 -1.26 -5.05 135.00 141.23 2dhi s PRO 72 Ca -0.02 1.25 -0.10 0.00 0.04 0.00 0.00 61.00 62.16 2dhi s PRO 72 Cb -0.02 -1.91 0.15 0.00 0.04 0.00 0.00 34.50 32.75 2dhi s PRO 72 CO 0.01 -1.51 0.54 -0.35 0.04 0.00 0.00 177.00 175.72 2dhi n PRO 73 N -3.15 -2.07 -2.45 0.56 -0.04 -1.26 -4.97 135.00 121.62 2dhi n PRO 73 Ca 0.10 -0.87 -0.36 0.00 -0.04 0.00 0.00 63.50 62.33 2dhi n PRO 73 Cb 0.53 -0.81 -0.03 0.00 -0.04 0.00 0.00 33.50 33.15 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 -2.97 6.46 -1.54 3.54 1.01 -1.26 -3.51 116.67 118.41 2dhi s ASP 74 Ca 0.35 2.10 -0.13 0.00 0.71 0.00 0.00 52.55 55.57 2dhi s ASP 74 Cb -0.03 -2.58 0.09 0.00 1.01 0.00 0.00 42.92 41.40 2dhi s ASP 74 CO 0.27 -0.70 0.93 0.61 0.21 0.00 0.00 175.17 176.49 2dhi n GLY 75 N 0.24 -0.47 3.24 0.21 0.00 -1.26 -4.97 105.19 102.18 2dhi n GLY 75 Ca 0.07 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 -6.62 0.40 0.00 1.61 -0.14 -1.23 -5.15 119.74 108.60 2dhi s LYS 76 Ca 0.62 0.55 0.00 0.00 -1.36 0.00 0.00 55.97 55.78 2dhi s LYS 76 Cb -0.31 0.14 0.00 0.00 -1.68 0.00 0.00 37.83 35.98 2dhi s LYS 76 CO 0.84 -0.08 0.00 -0.35 -0.76 0.00 0.00 175.35 175.01 2dhi n PRO 77 N 3.22 0.07 -0.04 -1.68 -0.04 -1.26 -4.62 135.00 130.65 2dhi n PRO 77 Ca -0.16 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.26 2dhi n PRO 77 Cb 0.57 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.97 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 -0.70 2.55 0.31 0.54 0.63 -1.26 -4.54 116.66 114.19 2dhi n ARG 78 Ca 0.00 0.00 0.18 0.00 -0.92 0.00 0.00 57.85 57.12 2dhi n ARG 78 Cb 0.00 -1.19 0.98 0.00 0.45 0.00 0.00 32.46 32.71 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 -0.06 6.15 5.19 -1.93 -0.19 116.42 125.57 2dhi h ASP 79 Ca -0.20 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.21 2dhi h ASP 79 Cb 1.44 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.95 2dhi h ASP 79 CO 0.01 0.03 0.00 0.00 -3.12 0.00 0.00 179.24 176.15 2dhi s LEU 81 N -1.33 4.39 -0.06 0.00 1.43 -0.08 -0.42 118.68 122.61 2dhi s LEU 81 Ca 0.19 1.50 -0.02 0.00 -1.03 0.00 0.00 54.13 54.77 2dhi s LEU 81 Cb 0.09 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.78 2dhi s LEU 81 CO 0.15 0.06 0.06 -0.22 0.23 0.00 0.00 176.35 176.63 2dhi s LEU 82 N -1.82 0.19 0.21 1.79 2.96 0.60 -3.20 118.68 119.40 2dhi s LEU 82 Ca 0.42 -0.03 0.10 0.00 -0.22 0.00 0.00 54.13 54.39 2dhi s LEU 82 Cb -0.18 -0.17 -0.04 0.00 0.50 0.00 0.00 46.19 46.30 2dhi s LEU 82 CO 0.22 -0.26 -0.11 -1.58 -1.32 0.00 0.00 176.35 173.30 2dhi s GLN 83 N 2.16 1.99 -0.23 1.98 0.74 -0.29 0.68 119.66 126.68 2dhi s GLN 83 Ca 0.05 -1.39 -0.01 0.00 0.05 0.00 0.00 55.36 54.06 2dhi s GLN 83 Cb -0.13 -2.08 0.07 0.00 1.10 0.00 0.00 33.01 31.98 2dhi s GLN 83 CO -0.04 0.40 0.02 0.42 -0.55 0.00 0.00 175.29 175.54 2dhi s ILE 84 N -1.91 0.93 -0.45 -2.34 -1.09 -0.78 -3.14 121.20 112.43 2dhi s ILE 84 Ca 0.26 -0.95 -0.28 0.00 -2.23 0.00 0.00 60.65 57.45 2dhi s ILE 84 Cb -0.08 -1.42 0.03 0.00 -1.58 0.00 0.00 42.46 39.41 2dhi s ILE 84 CO 0.15 -0.26 1.07 -0.69 -1.23 0.00 0.00 174.94 173.97 2dhi s VAL 85 N 1.65 4.33 0.90 2.92 1.01 -0.66 -2.88 120.40 127.67 2dhi s VAL 85 Ca -0.00 1.17 -0.13 0.00 0.00 0.00 0.00 61.98 63.01 2dhi s VAL 85 Cb -0.18 -4.53 0.14 0.00 0.00 0.00 0.00 36.38 31.82 2dhi s VAL 85 CO -0.10 -0.88 1.18 0.00 0.00 0.00 0.00 175.10 175.30 2dhi n ARG 87 N -3.68 0.00 -0.22 0.00 1.74 -0.09 -3.74 116.66 110.68 2dhi n ARG 87 Ca 0.09 0.34 -0.10 0.00 -0.77 0.00 0.00 57.85 57.41 2dhi n ARG 87 Cb 0.60 -1.30 -0.06 0.00 -1.02 0.00 0.00 32.46 30.69 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 -1.65 0.00 0.55 1.82 -1.96 -3.45 116.42 111.73 2dhi h ASP 88 Ca 0.00 0.26 0.00 0.00 -0.39 0.00 0.00 57.03 56.90 2dhi h ASP 88 Cb 0.00 0.73 0.00 0.00 0.68 0.00 0.00 39.33 40.74 2dhi h ASP 88 CO 0.00 -0.34 0.00 0.61 -1.61 0.00 0.00 179.24 177.90 2dhi n GLY 89 N -1.39 0.17 3.16 -0.78 0.00 -1.25 -5.13 105.19 99.97 2dhi n GLY 89 Ca 0.01 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.52 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 -4.14 1.61 4.81 -1.26 -4.47 118.16 114.71 2dhi n LYS 90 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.18 2dhi n LYS 90 Cb 0.00 -1.25 -0.17 0.00 0.02 0.00 0.00 35.03 33.64 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 -0.23 1.12 -0.22 3.15 2.01 -1.26 -0.98 115.64 119.23 2dhi s THR 91 Ca 0.76 -0.39 -0.07 0.00 0.31 0.00 0.00 61.69 62.30 2dhi s THR 91 Cb -1.07 -1.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 2dhi s THR 91 CO 0.52 0.37 0.07 -0.63 -0.69 0.00 0.00 174.62 174.26 2dhi s ILE 92 N 1.35 4.52 -0.31 1.82 1.01 -1.14 -4.96 121.20 123.49 2dhi s ILE 92 Ca -0.01 -0.11 -0.14 0.00 0.00 0.00 0.00 60.65 60.39 2dhi s ILE 92 Cb -0.14 -3.08 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 2dhi s ILE 92 CO -0.05 0.39 0.30 -0.44 0.00 0.00 0.00 174.94 175.14 2dhi s SER 93 N 1.08 6.14 0.31 3.58 0.01 -1.26 -1.87 113.70 121.68 2dhi s SER 93 Ca 0.04 -0.06 0.11 0.00 1.31 0.00 0.00 55.95 57.34 2dhi s SER 93 Cb -0.14 -2.17 -0.06 0.00 0.21 0.00 0.00 66.02 63.86 2dhi s SER 93 CO 0.03 -0.21 -0.13 -0.76 0.41 0.00 0.00 173.24 172.59 2dhi s LEU 94 N 1.92 2.71 -0.10 2.44 1.43 0.21 -1.43 118.68 125.85 2dhi s LEU 94 Ca 0.11 -1.09 -0.06 0.00 -1.03 0.00 0.00 54.13 52.06 2dhi s LEU 94 Cb -0.16 -1.10 0.04 0.00 0.03 0.00 0.00 46.19 45.01 2dhi s LEU 94 CO 0.11 -0.09 0.25 0.00 0.23 0.00 0.00 176.35 176.84 2dhi s ALA 96 N 1.16 3.72 0.23 0.00 0.00 0.44 -1.72 121.76 125.58 2dhi s ALA 96 Ca -0.08 -0.94 -0.07 0.00 0.00 0.00 0.00 51.96 50.87 2dhi s ALA 96 Cb -0.10 -2.08 0.32 0.00 0.00 0.00 0.00 23.12 21.27 2dhi s ALA 96 CO -0.08 -0.00 1.80 1.49 0.00 0.00 0.00 175.76 178.97 2dhi h GLU 97 N 0.79 0.68 -3.41 0.00 4.22 -1.87 -3.45 114.58 111.53 2dhi h GLU 97 Ca -0.50 -0.04 -0.06 0.00 0.08 0.00 0.00 59.36 58.84 2dhi h GLU 97 Cb 1.22 -0.15 -0.13 0.00 0.50 0.00 0.00 28.75 30.18 2dhi h GLU 97 CO 0.61 0.45 -0.11 0.45 -2.18 0.00 0.00 179.01 178.23 2dhi s SER 98 N -5.57 -0.20 0.35 1.04 0.15 -1.26 -4.96 113.70 103.24 2dhi s SER 98 Ca -0.13 -0.33 0.14 0.00 0.70 0.00 0.00 55.95 56.34 2dhi s SER 98 Cb 0.18 0.45 1.15 0.00 -1.71 0.00 0.00 66.02 66.09 2dhi s SER 98 CO 0.77 -0.82 1.58 0.74 1.20 0.00 0.00 173.24 176.70 2dhi h THR 99 N 2.46 0.00 0.03 6.45 2.02 -1.88 0.31 112.91 122.30 2dhi h THR 99 Ca -0.34 -0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.87 2dhi h THR 99 Cb 1.25 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 2dhi h THR 99 CO 0.48 0.00 -0.35 -0.78 0.37 0.00 0.00 175.52 175.24 2dhi h ASP 100 N 0.00 -1.03 -0.53 4.18 1.82 -1.96 0.18 116.42 119.08 2dhi h ASP 100 Ca 0.76 0.13 0.05 0.00 -0.39 0.00 0.00 57.03 57.58 2dhi h ASP 100 Cb 1.90 0.41 -0.05 0.00 0.68 0.00 0.00 39.33 42.27 2dhi h ASP 100 CO -0.83 -0.41 0.27 -0.78 -1.61 0.00 0.00 179.24 175.89 2dhi h ASP 101 N -0.52 0.40 0.34 2.28 3.58 -0.82 -1.99 116.42 119.69 2dhi h ASP 101 Ca 0.05 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 2dhi h ASP 101 Cb 0.59 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 2dhi h ASP 101 CO -0.26 0.27 -0.27 0.00 -2.88 0.00 0.00 179.24 176.10 2dhi h LEU 103 N -0.61 -0.38 -0.14 0.00 3.38 -0.42 0.34 115.31 117.48 2dhi h LEU 103 Ca -0.03 0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.14 2dhi h LEU 103 Cb 0.53 0.29 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 2dhi h LEU 103 CO -0.01 -0.14 -0.25 0.00 0.09 0.00 0.00 178.44 178.13 2dhi h ALA 104 N 1.52 -0.24 0.71 1.53 0.00 -1.11 -0.78 119.26 120.89 2dhi h ALA 104 Ca 0.27 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 2dhi h ALA 104 Cb 0.42 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2dhi h ALA 104 CO -0.51 -0.71 -0.43 -1.49 0.00 0.00 0.00 179.25 176.10 2dhi h TRP 105 N -0.32 -1.15 -0.68 0.00 4.06 -0.67 -0.36 115.95 116.83 2dhi h TRP 105 Ca 0.10 -0.01 0.09 0.00 2.06 0.00 0.00 58.89 61.13 2dhi h TRP 105 Cb 0.47 0.41 -0.11 0.00 -1.00 0.00 0.00 29.16 28.92 2dhi h TRP 105 CO -0.35 -0.65 -0.46 -0.22 -3.56 0.00 0.00 178.44 173.19 2dhi h LYS 106 N -1.08 -0.17 -0.72 0.49 3.64 -0.77 0.20 116.57 118.16 2dhi h LYS 106 Ca -0.09 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.36 2dhi h LYS 106 Cb 0.86 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.67 2dhi h LYS 106 CO 0.10 -0.11 0.41 0.74 -2.27 0.00 0.00 179.45 178.31 2dhi h PHE 107 N -0.18 0.75 -0.87 1.91 0.04 -1.05 -0.90 116.94 116.64 2dhi h PHE 107 Ca 0.19 0.03 0.07 0.00 2.80 0.00 0.00 57.97 61.05 2dhi h PHE 107 Cb 0.55 -0.23 -0.06 0.00 2.20 0.00 0.00 35.95 38.40 2dhi h PHE 107 CO -0.78 0.36 0.54 1.15 -0.60 0.00 0.00 178.31 178.97 2dhi h THR 108 N 0.75 1.03 0.16 -1.55 2.02 0.11 -2.16 112.91 113.25 2dhi h THR 108 Ca 0.32 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 2dhi h THR 108 Cb 0.21 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 2dhi h THR 108 CO -0.19 0.18 -0.07 -0.07 0.37 0.00 0.00 175.52 175.73 2dhi h LEU 109 N 0.97 -0.18 -1.78 2.58 3.38 -0.08 -2.14 115.31 118.06 2dhi h LEU 109 Ca 0.38 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2dhi h LEU 109 Cb 0.20 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2dhi h LEU 109 CO -0.18 0.25 0.39 1.56 0.09 0.00 0.00 178.44 180.55 2dhi h GLN 110 N -0.64 0.00 0.07 1.13 1.08 -0.95 0.28 115.11 116.09 2dhi h GLN 110 Ca -0.02 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.91 2dhi h GLN 110 Cb 0.48 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 2dhi h GLN 110 CO 0.03 0.00 -1.42 0.22 -0.95 0.00 0.00 178.83 176.72 2dhi h ASP 111 N 0.00 0.24 0.15 1.46 3.58 -1.17 -3.33 116.42 117.36 2dhi h ASP 111 Ca 0.00 -0.77 0.00 0.00 0.42 0.00 0.00 57.03 56.68 2dhi h ASP 111 Cb 0.79 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.76 2dhi h ASP 111 CO 0.00 1.60 0.00 -1.54 -2.88 0.00 0.00 179.24 176.42 2dhi n SER 112 N -4.03 0.21 0.26 2.28 3.41 0.03 -1.53 113.62 114.25 2dhi n SER 112 Ca -0.28 0.58 0.14 0.00 -0.26 0.00 0.00 58.87 59.05 2dhi n SER 112 Cb 0.84 -0.62 0.69 0.00 -0.26 0.00 0.00 64.21 64.86 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 0.00 -1.65 4.33 3.08 -1.51 -3.02 114.38 115.61 2dhi h ARG 113 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.68 2dhi h ARG 113 Cb 0.08 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 29.98 2dhi h ARG 113 CO 0.00 0.11 0.40 0.25 -1.07 0.00 0.00 179.97 179.66 2dhi n THR 114 N -3.37 2.94 -4.18 2.04 -2.24 -0.58 -4.85 114.28 104.04 2dhi n THR 114 Ca -0.01 -2.03 -0.33 0.00 -2.27 0.00 0.00 64.05 59.42 2dhi n THR 114 Cb 0.30 -1.42 -0.16 0.00 -2.10 0.00 0.00 70.33 66.95 2dhi n THR 114 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2dhi s SER 115 N 0.22 3.08 0.00 3.42 0.15 -1.14 -4.91 113.70 114.52 2dhi s SER 115 Ca 0.40 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.42 2dhi s SER 115 Cb 0.29 -1.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.15 2dhi s SER 115 CO -0.06 0.00 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2dhi n GLY 116 N 4.56 -2.27 3.73 9.45 0.00 -1.26 -4.95 105.19 114.45 2dhi n GLY 116 Ca -0.20 0.73 -0.42 0.00 0.00 0.00 0.00 46.02 46.13 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 4.38 0.18 1.61 0.04 -1.26 -4.92 135.00 135.03 2dhi s PRO 117 Ca 0.00 2.04 -0.24 0.00 0.04 0.00 0.00 61.00 62.84 2dhi s PRO 117 Cb 0.00 -3.21 -0.15 0.00 0.04 0.00 0.00 34.50 31.18 2dhi s PRO 117 CO 0.00 -0.29 0.43 0.45 0.04 0.00 0.00 177.00 177.63 2dhi n SER 118 N 3.00 -1.17 -0.02 6.66 2.88 -1.26 -4.93 113.62 118.78 2dhi n SER 118 Ca 0.07 0.97 -0.04 0.00 -1.33 0.00 0.00 58.87 58.54 2dhi n SER 118 Cb 0.43 -0.82 -0.01 0.00 -0.75 0.00 0.00 64.21 63.05 2dhi n SER 118 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dhi n SER 119 N 1.76 1.17 0.00 -3.46 2.88 -1.26 -5.22 113.62 109.48 2dhi n SER 119 Ca 0.15 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 2dhi n SER 119 Cb 0.23 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 2dhi n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42