#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhi n SER 2 N 0.00 1.80 -4.29 1.61 7.64 -1.26 -4.89 113.62 114.24 2dhi n SER 2 Ca 0.00 0.11 -0.34 0.00 1.01 0.00 0.00 58.87 59.65 2dhi n SER 2 Cb 0.00 -0.45 -0.14 0.00 -1.01 0.00 0.00 64.21 62.61 2dhi n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dhi s SER 3 N -6.31 4.01 0.00 6.43 0.01 -1.26 -4.68 113.70 111.90 2dhi s SER 3 Ca -0.25 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.58 2dhi s SER 3 Cb 0.09 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.65 2dhi s SER 3 CO 0.35 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.64 2dhi n GLY 4 N 4.47 -2.38 1.02 3.44 0.00 -1.26 -5.04 105.19 105.44 2dhi n GLY 4 Ca -0.19 0.79 -0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 0.00 0.79 -3.66 1.61 7.64 -1.26 -5.12 113.62 113.62 2dhi n SER 5 Ca 0.00 0.10 -0.15 0.00 1.01 0.00 0.00 58.87 59.83 2dhi n SER 5 Cb 0.00 -0.24 -0.08 0.00 -1.01 0.00 0.00 64.21 62.88 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 -5.70 -0.39 0.11 6.43 1.04 -1.26 -5.15 113.70 108.78 2dhi s SER 6 Ca -0.00 0.35 -0.09 0.00 0.48 0.00 0.00 55.95 56.69 2dhi s SER 6 Cb 0.00 0.41 -0.00 0.00 0.10 0.00 0.00 66.02 66.53 2dhi s SER 6 CO 0.00 -0.52 0.22 -0.83 0.98 0.00 0.00 173.24 173.10 2dhi s GLY 7 N -1.27 0.18 -0.07 7.32 0.00 -1.26 -4.89 107.32 107.33 2dhi s GLY 7 Ca -0.13 -0.67 -0.24 0.00 0.00 0.00 0.00 44.72 43.69 2dhi s GLY 7 CO 0.07 -0.79 0.74 -1.36 0.00 0.00 0.00 173.10 171.76 2dhi s PHE 8 N -3.89 3.57 0.08 1.90 0.08 -1.26 -3.26 117.98 115.20 2dhi s PHE 8 Ca 0.08 1.30 -0.36 0.00 0.12 0.00 0.00 56.93 58.07 2dhi s PHE 8 Cb 0.04 -2.86 -0.18 0.00 -0.57 0.00 0.00 43.02 39.46 2dhi s PHE 8 CO -0.08 0.05 1.55 0.28 -0.10 0.00 0.00 175.22 176.92 2dhi h VAL 9 N 4.80 0.00 -3.66 -0.44 2.07 0.03 -3.45 116.25 115.61 2dhi h VAL 9 Ca -0.40 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 66.93 2dhi h VAL 9 Cb 1.19 0.00 -0.24 0.00 -1.52 0.00 0.00 31.29 30.72 2dhi h VAL 9 CO 0.76 0.00 -0.62 -0.75 0.02 0.00 0.00 177.57 176.98 2dhi s LYS 10 N -5.83 0.22 -0.03 1.57 2.20 -1.26 -5.01 119.74 111.61 2dhi s LYS 10 Ca -0.18 -0.18 0.01 0.00 -0.36 0.00 0.00 55.97 55.26 2dhi s LYS 10 Cb 0.04 0.09 0.02 0.00 -1.51 0.00 0.00 37.83 36.47 2dhi s LYS 10 CO 0.59 -0.04 -0.02 -1.54 -0.36 0.00 0.00 175.35 173.98 2dhi s SER 11 N -0.63 0.59 0.34 1.43 1.04 -1.26 -2.43 113.70 112.78 2dhi s SER 11 Ca -0.07 -0.07 -0.13 0.00 0.48 0.00 0.00 55.95 56.16 2dhi s SER 11 Cb -0.04 -0.27 0.05 0.00 0.10 0.00 0.00 66.02 65.86 2dhi s SER 11 CO 0.00 -0.06 0.71 0.61 0.98 0.00 0.00 173.24 175.48 2dhi n GLY 12 N 3.92 1.08 3.71 7.32 0.00 -1.20 -5.05 105.19 114.98 2dhi n GLY 12 Ca -0.25 -1.22 -0.36 0.00 0.00 0.00 0.00 46.02 44.18 2dhi n GLY 12 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dhi s TRP 13 N -2.93 3.43 -0.00 1.61 0.52 -1.26 -2.80 118.94 117.51 2dhi s TRP 13 Ca 0.14 0.54 -0.06 0.00 0.02 0.00 0.00 56.10 56.74 2dhi s TRP 13 Cb -0.04 -2.35 0.00 0.00 -1.15 0.00 0.00 33.47 29.93 2dhi s TRP 13 CO 0.10 0.19 0.12 -0.51 0.02 0.00 0.00 176.95 176.87 2dhi s LEU 14 N 0.64 1.62 0.20 2.99 1.43 -0.82 -4.66 118.68 120.08 2dhi s LEU 14 Ca 0.15 -0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 52.95 2dhi s LEU 14 Cb -0.13 0.59 -0.07 0.00 0.03 0.00 0.00 46.19 46.61 2dhi s LEU 14 CO 0.04 -0.33 0.56 -0.76 0.23 0.00 0.00 176.35 176.09 2dhi s LEU 15 N -1.23 4.24 -0.04 1.79 1.43 -0.86 -0.42 118.68 123.59 2dhi s LEU 15 Ca -0.13 1.02 0.01 0.00 -1.03 0.00 0.00 54.13 54.00 2dhi s LEU 15 Cb -0.07 -3.52 0.02 0.00 0.03 0.00 0.00 46.19 42.65 2dhi s LEU 15 CO 0.01 -0.00 -0.05 -0.60 0.23 0.00 0.00 176.35 175.93 2dhi s ARG 16 N -2.44 0.92 0.00 1.70 3.52 -0.33 -2.06 118.95 120.26 2dhi s ARG 16 Ca 0.43 -0.15 -0.30 0.00 -0.13 0.00 0.00 55.73 55.59 2dhi s ARG 16 Cb -0.13 -0.88 -0.04 0.00 -1.56 0.00 0.00 34.95 32.34 2dhi s ARG 16 CO 0.20 -0.06 1.18 -1.14 -0.81 0.00 0.00 175.30 174.67 2dhi s GLN 17 N 0.83 4.41 0.63 5.12 0.74 -0.67 -2.07 119.66 128.64 2dhi s GLN 17 Ca -0.12 1.69 0.01 0.00 0.05 0.00 0.00 55.36 56.99 2dhi s GLN 17 Cb -0.14 -3.45 0.08 0.00 1.10 0.00 0.00 33.01 30.59 2dhi s GLN 17 CO 0.01 -0.32 0.88 0.45 -0.55 0.00 0.00 175.29 175.76 2dhi s SER 18 N 1.24 4.83 -0.03 6.67 0.15 -0.65 -4.72 113.70 121.19 2dhi s SER 18 Ca 0.57 -0.20 0.13 0.00 0.70 0.00 0.00 55.95 57.15 2dhi s SER 18 Cb -0.27 -0.43 -0.20 0.00 -1.71 0.00 0.00 66.02 63.42 2dhi s SER 18 CO 0.26 -1.49 0.26 0.35 1.20 0.00 0.00 173.24 173.81 2dhi n THR 19 N -2.58 0.10 -0.11 6.45 -2.24 -1.26 -3.87 114.28 110.78 2dhi n THR 19 Ca 0.12 -0.33 -0.18 0.00 -2.27 0.00 0.00 64.05 61.38 2dhi n THR 19 Cb 0.60 0.09 -0.12 0.00 -2.10 0.00 0.00 70.33 68.80 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 -2.02 1.53 1.37 2.28 5.41 -1.26 -4.33 119.36 122.35 2dhi n ILE 20 Ca -0.05 -0.59 0.14 0.00 1.00 0.00 0.00 62.75 63.25 2dhi n ILE 20 Cb 0.41 -1.45 0.47 0.00 -0.71 0.00 0.00 39.64 38.37 2dhi n ILE 20 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2dhi n LEU 21 N -3.28 1.09 -3.83 1.39 4.32 -1.26 -4.94 117.00 110.49 2dhi n LEU 21 Ca -0.43 -0.30 -0.23 0.00 -0.02 0.00 0.00 56.01 55.02 2dhi n LEU 21 Cb 1.00 -0.08 -0.07 0.00 -1.62 0.00 0.00 43.42 42.65 2dhi n LEU 21 CO 0.29 0.19 -0.34 0.29 -1.22 0.00 0.00 177.39 176.61 2dhi n LYS 22 N -0.42 -0.93 -3.87 3.23 4.76 -1.25 -4.85 118.16 114.83 2dhi n LYS 22 Ca 0.15 0.06 -0.08 0.00 -2.87 0.00 0.00 58.31 55.57 2dhi n LYS 22 Cb 0.34 -2.55 -0.01 0.00 -1.84 0.00 0.00 35.03 30.97 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 -6.21 1.92 -0.15 1.97 1.70 -1.26 -4.96 118.95 111.97 2dhi s ARG 23 Ca 0.02 -1.21 -0.15 0.00 -0.47 0.00 0.00 55.73 53.91 2dhi s ARG 23 Cb -0.01 0.59 -0.04 0.00 -0.57 0.00 0.00 34.95 34.92 2dhi s ARG 23 CO 0.72 -0.88 0.36 -1.58 -1.08 0.00 0.00 175.30 172.85 2dhi s TRP 24 N -3.34 3.47 -0.02 5.89 0.52 -1.26 -1.64 118.94 122.56 2dhi s TRP 24 Ca 0.15 0.70 0.06 0.00 0.02 0.00 0.00 56.10 57.02 2dhi s TRP 24 Cb -0.05 -2.42 -0.01 0.00 -1.15 0.00 0.00 33.47 29.84 2dhi s TRP 24 CO 0.09 0.20 -0.20 -1.59 0.02 0.00 0.00 176.95 175.48 2dhi s LYS 25 N 0.56 1.64 0.15 4.98 -2.85 -0.88 -4.88 119.74 118.45 2dhi s LYS 25 Ca 0.20 -0.71 -0.31 0.00 -1.00 0.00 0.00 55.97 54.15 2dhi s LYS 25 Cb -0.14 -1.57 -0.09 0.00 -2.06 0.00 0.00 37.83 33.98 2dhi s LYS 25 CO 0.06 0.42 1.47 0.21 0.10 0.00 0.00 175.35 177.61 2dhi s LYS 26 N -0.43 4.27 0.15 1.78 2.20 -1.26 -1.19 119.74 125.26 2dhi s LYS 26 Ca 0.07 2.22 0.01 0.00 -0.36 0.00 0.00 55.97 57.90 2dhi s LYS 26 Cb -0.08 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 33.00 2dhi s LYS 26 CO -0.01 -0.51 0.02 -0.80 -0.36 0.00 0.00 175.35 173.70 2dhi s ASN 27 N 1.07 0.83 -0.29 1.43 -0.87 0.44 -4.91 114.94 112.64 2dhi s ASN 27 Ca 0.67 -1.18 -0.07 0.00 -1.57 0.00 0.00 52.86 50.71 2dhi s ASN 27 Cb -0.40 0.19 0.01 0.00 -0.02 0.00 0.00 41.25 41.03 2dhi s ASN 27 CO 0.31 -0.64 0.08 0.86 -2.57 0.00 0.00 177.10 175.15 2dhi s TRP 28 N -3.82 3.15 0.13 2.20 -0.00 -0.57 -1.94 118.94 118.08 2dhi s TRP 28 Ca 0.23 -0.99 0.02 0.00 -0.00 0.00 0.00 56.10 55.37 2dhi s TRP 28 Cb 0.07 -2.25 -0.04 0.00 -0.00 0.00 0.00 33.47 31.25 2dhi s TRP 28 CO 0.03 -0.58 0.24 -0.06 -0.00 0.00 0.00 176.95 176.58 2dhi s PHE 29 N 1.50 3.44 -0.28 5.86 0.40 -1.12 0.21 117.98 127.98 2dhi s PHE 29 Ca 0.02 0.13 -0.03 0.00 -0.60 0.00 0.00 56.93 56.45 2dhi s PHE 29 Cb -0.17 -1.66 0.16 0.00 0.51 0.00 0.00 43.02 41.85 2dhi s PHE 29 CO 0.02 0.53 0.54 -0.51 0.70 0.00 0.00 175.22 176.50 2dhi s ASP 30 N -3.03 -0.86 0.20 1.36 1.11 -0.93 -3.25 116.67 111.26 2dhi s ASP 30 Ca 0.34 0.81 -0.21 0.00 0.18 0.00 0.00 52.55 53.67 2dhi s ASP 30 Cb -0.11 1.86 -0.08 0.00 1.07 0.00 0.00 42.92 45.66 2dhi s ASP 30 CO 0.27 -0.26 0.73 -0.22 1.18 0.00 0.00 175.17 176.88 2dhi s LEU 31 N 2.77 4.42 0.57 1.23 2.96 -1.02 -2.04 118.68 127.57 2dhi s LEU 31 Ca 0.14 1.48 0.05 0.00 -0.22 0.00 0.00 54.13 55.58 2dhi s LEU 31 Cb -0.15 -3.47 0.07 0.00 0.50 0.00 0.00 46.19 43.14 2dhi s LEU 31 CO -0.19 0.09 0.78 0.26 -1.32 0.00 0.00 176.35 175.98 2dhi s TRP 32 N -1.40 2.10 0.21 5.38 0.52 0.53 0.68 118.94 126.96 2dhi s TRP 32 Ca 0.40 -0.39 0.09 0.00 0.02 0.00 0.00 56.10 56.22 2dhi s TRP 32 Cb -0.19 -2.55 0.13 0.00 -1.15 0.00 0.00 33.47 29.70 2dhi s TRP 32 CO 0.22 -1.05 1.48 1.03 0.02 0.00 0.00 176.95 178.65 2dhi h SER 33 N 0.10 0.02 -0.05 2.95 0.87 -1.84 -2.93 113.55 112.66 2dhi h SER 33 Ca -0.36 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 2dhi h SER 33 Cb 1.28 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2dhi h SER 33 CO 0.44 0.78 0.00 0.47 -0.53 0.00 0.00 176.83 177.99 2dhi n ASP 34 N -3.63 0.84 0.00 6.23 8.00 -1.26 -4.58 116.55 122.15 2dhi n ASP 34 Ca -0.01 -1.43 0.00 0.00 0.71 0.00 0.00 54.79 54.06 2dhi n ASP 34 Cb 0.75 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.81 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 1.03 3.00 3.51 0.44 0.00 -1.11 -4.51 105.19 107.54 2dhi n GLY 35 Ca 0.18 -0.57 -0.51 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 0.60 -5.03 1.61 8.25 -1.26 -3.97 115.22 115.41 2dhi n HIS 36 Ca 0.00 0.87 -0.32 0.00 -0.26 0.00 0.00 57.72 58.01 2dhi n HIS 36 Cb 0.00 -2.13 -0.16 0.00 1.12 0.00 0.00 29.99 28.82 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 1.12 2.33 -0.04 2.41 2.96 -0.57 -0.34 118.68 126.55 2dhi s LEU 37 Ca 0.75 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 54.20 2dhi s LEU 37 Cb -0.99 -1.49 0.02 0.00 0.50 0.00 0.00 46.19 44.23 2dhi s LEU 37 CO 0.55 0.16 -0.02 -0.63 -1.32 0.00 0.00 176.35 175.09 2dhi s ILE 38 N 0.36 0.34 0.33 6.68 1.01 -0.87 -1.08 121.20 127.97 2dhi s ILE 38 Ca -0.16 0.01 0.09 0.00 0.00 0.00 0.00 60.65 60.60 2dhi s ILE 38 Cb -0.17 -0.41 -0.05 0.00 0.01 0.00 0.00 42.46 41.83 2dhi s ILE 38 CO 0.07 0.19 0.01 -0.72 0.00 0.00 0.00 174.94 174.49 2dhi s TYR 39 N 1.11 2.56 0.17 3.97 1.13 -1.17 -2.20 117.35 122.93 2dhi s TYR 39 Ca -0.08 -0.40 0.04 0.00 -1.41 0.00 0.00 57.07 55.22 2dhi s TYR 39 Cb -0.14 -1.43 -0.05 0.00 -1.10 0.00 0.00 41.96 39.25 2dhi s TYR 39 CO -0.01 0.50 -0.06 0.71 -2.51 0.00 0.00 175.55 174.17 2dhi s TYR 40 N -2.49 1.33 0.13 -3.49 1.51 0.13 -2.02 117.35 112.46 2dhi s TYR 40 Ca 0.34 -0.84 -0.18 0.00 -1.01 0.00 0.00 57.07 55.39 2dhi s TYR 40 Cb -0.01 -0.72 -0.03 0.00 -0.11 0.00 0.00 41.96 41.09 2dhi s TYR 40 CO 0.19 0.01 1.75 0.22 -1.11 0.00 0.00 175.55 176.61 2dhi h ASP 41 N 2.69 0.40 -3.81 2.29 3.58 -1.87 -1.52 116.42 118.17 2dhi h ASP 41 Ca -0.37 -0.07 -0.31 0.00 0.42 0.00 0.00 57.03 56.70 2dhi h ASP 41 Cb 1.20 -0.10 -0.07 0.00 1.72 0.00 0.00 39.33 42.08 2dhi h ASP 41 CO 0.64 0.35 -0.27 -0.90 -2.88 0.00 0.00 179.24 176.18 2dhi n ASP 42 N -4.81 0.62 0.10 2.28 5.68 -1.26 -4.43 116.55 114.73 2dhi n ASP 42 Ca -0.01 -2.27 0.10 0.00 -0.50 0.00 0.00 54.79 52.11 2dhi n ASP 42 Cb 0.06 0.72 0.44 0.00 -1.14 0.00 0.00 41.12 41.21 2dhi n ASP 42 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2dhi n GLN 43 N -0.48 0.14 0.18 0.11 0.00 -1.26 -2.18 117.38 113.89 2dhi n GLN 43 Ca -0.01 0.40 0.14 0.00 0.00 0.00 0.00 57.00 57.53 2dhi n GLN 43 Cb 0.36 -1.78 0.56 0.00 0.00 0.00 0.00 30.24 29.38 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 -6.44 -0.39 1.35 -1.97 -3.46 112.91 102.00 2dhi h THR 44 Ca 0.00 -0.33 -0.43 0.00 -0.55 0.00 0.00 66.41 65.10 2dhi h THR 44 Cb 0.30 1.16 -0.25 0.00 -1.73 0.00 0.00 68.15 67.63 2dhi h THR 44 CO 0.00 0.00 -0.63 0.54 -0.25 0.00 0.00 175.52 175.18 2dhi n ARG 45 N -2.54 -1.66 0.02 4.72 1.74 -0.93 -4.76 116.66 113.25 2dhi n ARG 45 Ca 0.02 0.14 0.05 0.00 -0.77 0.00 0.00 57.85 57.29 2dhi n ARG 45 Cb 0.26 -4.71 -0.10 0.00 -1.02 0.00 0.00 32.46 26.88 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 -3.62 0.64 -3.91 5.56 6.02 -1.26 -4.67 117.38 116.14 2dhi n GLN 46 Ca 0.07 0.02 -0.29 0.00 -0.01 0.00 0.00 57.00 56.79 2dhi n GLN 46 Cb 0.47 -1.68 -0.13 0.00 1.02 0.00 0.00 30.24 29.92 2dhi n GLN 46 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2dhi s SER 47 N -5.21 4.34 -0.60 1.08 0.01 -1.26 -5.06 113.70 107.00 2dhi s SER 47 Ca -0.05 -3.19 -0.30 0.00 1.31 0.00 0.00 55.95 53.72 2dhi s SER 47 Cb 0.10 -1.57 -0.13 0.00 0.21 0.00 0.00 66.02 64.64 2dhi s SER 47 CO 0.84 -0.20 2.44 -0.38 0.41 0.00 0.00 173.24 176.35 2dhi n ILE 48 N 2.87 0.02 0.12 1.44 5.41 -1.26 -3.36 119.36 124.60 2dhi n ILE 48 Ca 0.09 -0.40 -0.13 0.00 1.00 0.00 0.00 62.75 63.31 2dhi n ILE 48 Cb 0.33 -1.78 -0.06 0.00 -0.71 0.00 0.00 39.64 37.42 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 15.23 -0.49 -2.09 0.38 4.39 -1.72 -3.48 114.58 126.80 2dhi h GLU 49 Ca -0.19 0.03 0.25 0.00 0.34 0.00 0.00 59.36 59.79 2dhi h GLU 49 Cb 1.30 0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 29.98 2dhi h GLU 49 CO 1.19 -0.33 0.70 0.34 -1.16 0.00 0.00 179.01 179.75 2dhi s ASP 50 N -4.79 -0.05 0.01 1.42 -1.08 -1.24 -5.06 116.67 105.88 2dhi s ASP 50 Ca -0.16 -0.36 0.01 0.00 -0.52 0.00 0.00 52.55 51.52 2dhi s ASP 50 Cb 0.08 0.33 -0.01 0.00 -1.46 0.00 0.00 42.92 41.85 2dhi s ASP 50 CO 0.65 -0.63 -0.05 -0.75 0.52 0.00 0.00 175.17 174.91 2dhi s LYS 51 N -2.46 0.39 -0.28 4.34 2.20 -1.26 -3.02 119.74 119.65 2dhi s LYS 51 Ca 0.19 -0.37 -0.16 0.00 -0.36 0.00 0.00 55.97 55.27 2dhi s LYS 51 Cb 0.00 -0.28 0.08 0.00 -1.51 0.00 0.00 37.83 36.13 2dhi s LYS 51 CO 0.01 0.07 0.69 0.08 -0.36 0.00 0.00 175.35 175.83 2dhi s VAL 52 N -0.60 -0.05 0.84 4.02 1.01 -0.24 -5.03 120.40 120.35 2dhi s VAL 52 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 2dhi s VAL 52 Cb -0.05 -1.00 0.10 0.00 0.00 0.00 0.00 36.38 35.43 2dhi s VAL 52 CO -0.00 0.00 1.12 -2.28 0.00 0.00 0.00 175.10 173.93 2dhi s HIS 53 N 1.70 2.71 0.00 5.22 2.46 -1.26 -1.51 115.29 124.62 2dhi s HIS 53 Ca -0.10 1.02 0.00 0.00 0.47 0.00 0.00 55.06 56.45 2dhi s HIS 53 Cb -0.05 -3.24 0.00 0.00 -0.13 0.00 0.00 32.58 29.16 2dhi s HIS 53 CO -0.20 -2.00 0.00 -1.33 -2.47 0.00 0.00 174.74 168.74 2dhi n MET 54 N -3.56 0.00 0.00 2.88 2.81 -1.26 -2.92 117.12 115.08 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 0.58 -0.40 0.33 0.00 -0.71 0.00 0.00 33.22 33.02 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 -0.40 135.00 131.36 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 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 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 -0.85 0.00 -0.04 0.52 0.31 -1.26 -4.87 118.33 112.14 2dhi n VAL 56 Ca 0.08 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.21 2dhi n VAL 56 Cb 0.04 -1.11 -0.13 0.00 -0.91 0.00 0.00 33.84 31.73 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 0.22 -3.49 4.52 1.82 -1.57 -3.46 116.42 114.45 2dhi h ASP 57 Ca 0.00 -0.76 -0.53 0.00 -0.39 0.00 0.00 57.03 55.34 2dhi h ASP 57 Cb 0.87 -0.07 -0.03 0.00 0.68 0.00 0.00 39.33 40.77 2dhi h ASP 57 CO 0.00 1.54 0.16 0.00 -1.61 0.00 0.00 179.24 179.33 2dhi n ILE 59 N 1.66 0.00 -3.98 0.00 -5.35 0.76 -4.37 119.36 108.08 2dhi n ILE 59 Ca -0.06 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.34 2dhi n ILE 59 Cb 0.49 -0.06 -0.09 0.00 -1.74 0.00 0.00 39.64 38.24 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 -2.28 0.30 -0.21 7.28 2.47 -1.20 -5.03 114.94 116.27 2dhi s ASN 60 Ca 0.00 -0.76 -0.03 0.00 0.42 0.00 0.00 52.86 52.49 2dhi s ASN 60 Cb 0.00 0.24 0.06 0.00 -1.45 0.00 0.00 41.25 40.10 2dhi s ASN 60 CO 0.00 -0.59 0.04 -0.63 -3.72 0.00 0.00 177.10 172.20 2dhi s ILE 61 N -3.43 0.54 0.03 -5.21 1.01 -1.26 -1.79 121.20 111.09 2dhi s ILE 61 Ca 0.02 -0.63 -0.05 0.00 0.00 0.00 0.00 60.65 59.99 2dhi s ILE 61 Cb 0.04 -1.08 -0.05 0.00 0.01 0.00 0.00 42.46 41.38 2dhi s ILE 61 CO -0.08 -0.26 0.27 -0.13 0.00 0.00 0.00 174.94 174.74 2dhi s ARG 62 N 1.84 3.56 -0.09 2.79 0.52 -0.95 -4.97 118.95 121.66 2dhi s ARG 62 Ca -0.00 -0.13 -0.07 0.00 -0.52 0.00 0.00 55.73 55.01 2dhi s ARG 62 Cb -0.17 -3.04 0.03 0.00 0.52 0.00 0.00 34.95 32.29 2dhi s ARG 62 CO -0.10 0.62 0.22 0.95 0.02 0.00 0.00 175.30 177.01 2dhi s THR 63 N -1.38 -0.01 0.00 0.02 -4.23 -1.26 -1.04 115.64 107.75 2dhi s THR 63 Ca 0.30 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 2dhi s THR 63 Cb -0.13 -0.33 0.00 0.00 1.34 0.00 0.00 72.50 73.38 2dhi s THR 63 CO 0.19 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.89 2dhi n GLY 64 N 3.30 2.11 0.11 3.99 0.00 -1.12 -3.02 105.19 110.57 2dhi n GLY 64 Ca -0.16 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.00 1.61 3.86 -1.94 -3.31 115.15 115.36 2dhi h HIS 65 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2dhi h HIS 65 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 2dhi h HIS 65 CO 0.00 0.00 0.00 0.93 0.86 0.00 0.00 177.93 179.72 2dhi h GLU 66 N 0.00 0.00 0.00 2.45 4.39 -1.92 -3.42 114.58 116.08 2dhi h GLU 66 Ca 0.00 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 2dhi h GLU 66 Cb 0.88 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 29.61 2dhi h GLU 66 CO 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 179.01 177.79 2dhi n ARG 68 N -1.61 4.23 -2.17 0.00 5.12 -1.26 -4.65 116.66 116.32 2dhi n ARG 68 Ca 0.05 -3.26 -0.07 0.00 -1.93 0.00 0.00 57.85 52.64 2dhi n ARG 68 Cb 0.21 -2.73 -0.01 0.00 -1.16 0.00 0.00 32.46 28.77 2dhi n ARG 68 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2dhi n ASP 69 N 2.53 -2.53 -2.90 0.55 8.00 -1.26 -4.91 116.55 116.03 2dhi n ASP 69 Ca 0.61 0.29 -0.13 0.00 0.71 0.00 0.00 54.79 56.26 2dhi n ASP 69 Cb 0.27 -2.29 0.10 0.00 -0.02 0.00 0.00 41.12 39.18 2dhi n ASP 69 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2dhi n ILE 70 N -2.66 0.00 -3.85 0.53 -5.35 -1.26 -5.10 119.36 101.66 2dhi n ILE 70 Ca -0.08 -0.38 -0.15 0.00 -0.27 0.00 0.00 62.75 61.87 2dhi n ILE 70 Cb 0.49 -1.60 -0.15 0.00 -1.74 0.00 0.00 39.64 36.64 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 -4.27 0.06 0.79 6.28 -2.07 -1.26 -5.07 119.66 114.12 2dhi s GLN 71 Ca 0.34 0.09 -0.11 0.00 -1.82 0.00 0.00 55.36 53.86 2dhi s GLN 71 Cb -0.01 -0.23 0.06 0.00 -1.09 0.00 0.00 33.01 31.74 2dhi s GLN 71 CO 0.24 -0.10 1.09 -1.25 -1.32 0.00 0.00 175.29 173.96 2dhi s PRO 72 N 0.67 2.15 0.14 9.60 0.04 -1.26 -4.98 135.00 141.35 2dhi s PRO 72 Ca -0.06 1.13 -0.31 0.00 0.04 0.00 0.00 61.00 61.80 2dhi s PRO 72 Cb -0.09 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 2dhi s PRO 72 CO -0.02 -1.71 1.34 -1.25 0.04 0.00 0.00 177.00 175.41 2dhi s PRO 73 N -4.91 4.35 -0.50 0.56 0.04 -1.26 -4.88 135.00 128.41 2dhi s PRO 73 Ca 0.61 2.04 -0.46 0.00 0.04 0.00 0.00 61.00 63.23 2dhi s PRO 73 Cb -0.17 -3.24 -0.20 0.00 0.04 0.00 0.00 34.50 30.93 2dhi s PRO 73 CO 0.56 -0.36 1.76 -0.40 0.04 0.00 0.00 177.00 178.61 2dhi n ASP 74 N 3.51 1.05 0.00 6.66 5.68 -1.26 -0.21 116.55 131.98 2dhi n ASP 74 Ca 0.09 1.02 0.00 0.00 -0.50 0.00 0.00 54.79 55.40 2dhi n ASP 74 Cb 0.43 -0.88 0.00 0.00 -1.14 0.00 0.00 41.12 39.53 2dhi n ASP 74 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dhi n GLY 75 N 5.11 0.95 3.82 6.12 0.00 -1.26 -5.08 105.19 114.85 2dhi n GLY 75 Ca 0.39 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.06 2dhi n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dhi s LYS 76 N -0.00 3.22 0.00 1.61 -0.14 0.70 -5.12 119.74 120.02 2dhi s LYS 76 Ca 0.00 -0.36 0.00 0.00 -1.36 0.00 0.00 55.97 54.25 2dhi s LYS 76 Cb 0.00 -2.98 0.00 0.00 -1.68 0.00 0.00 37.83 33.17 2dhi s LYS 76 CO 0.00 0.69 0.00 -0.35 -0.76 0.00 0.00 175.35 174.93 2dhi n PRO 77 N 1.43 -0.33 -0.11 -1.68 -0.04 -1.26 -4.52 135.00 128.49 2dhi n PRO 77 Ca -0.15 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.14 2dhi n PRO 77 Cb 0.53 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.86 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 -0.99 0.67 0.23 0.54 0.63 -1.26 -4.24 116.66 112.24 2dhi n ARG 78 Ca 0.00 0.14 0.16 0.00 -0.92 0.00 0.00 57.85 57.23 2dhi n ARG 78 Cb 0.00 -1.55 0.83 0.00 0.45 0.00 0.00 32.46 32.20 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 0.01 0.00 -0.14 6.15 3.32 -1.95 0.19 116.42 124.01 2dhi h ASP 79 Ca -0.55 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.50 2dhi h ASP 79 Cb 1.98 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.53 2dhi h ASP 79 CO -0.05 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.47 2dhi s LEU 81 N -1.62 4.40 -0.12 0.00 1.43 0.67 -0.30 118.68 123.14 2dhi s LEU 81 Ca 0.33 1.36 -0.01 0.00 -1.03 0.00 0.00 54.13 54.78 2dhi s LEU 81 Cb 0.17 -3.19 0.03 0.00 0.03 0.00 0.00 46.19 43.24 2dhi s LEU 81 CO 0.27 -0.05 -0.03 -0.22 0.23 0.00 0.00 176.35 176.55 2dhi s LEU 82 N 0.31 1.09 0.05 1.79 2.96 0.60 -2.77 118.68 122.71 2dhi s LEU 82 Ca 0.39 -0.37 0.06 0.00 -0.22 0.00 0.00 54.13 53.98 2dhi s LEU 82 Cb -0.19 -0.70 -0.03 0.00 0.50 0.00 0.00 46.19 45.76 2dhi s LEU 82 CO 0.21 -0.18 -0.13 -1.58 -1.32 0.00 0.00 176.35 173.36 2dhi s GLN 83 N 1.79 2.21 -0.25 1.98 0.74 -0.20 0.55 119.66 126.48 2dhi s GLN 83 Ca 0.03 -0.93 0.01 0.00 0.05 0.00 0.00 55.36 54.53 2dhi s GLN 83 Cb -0.14 -2.31 0.07 0.00 1.10 0.00 0.00 33.01 31.74 2dhi s GLN 83 CO -0.07 0.55 -0.04 0.42 -0.55 0.00 0.00 175.29 175.60 2dhi s ILE 84 N -1.03 1.61 -0.31 -2.34 -1.09 -0.97 -2.23 121.20 114.83 2dhi s ILE 84 Ca 0.17 -1.37 -0.29 0.00 -2.23 0.00 0.00 60.65 56.93 2dhi s ILE 84 Cb -0.11 -1.91 0.02 0.00 -1.58 0.00 0.00 42.46 38.88 2dhi s ILE 84 CO 0.08 -0.18 1.06 -0.69 -1.23 0.00 0.00 174.94 173.98 2dhi s VAL 85 N 1.34 4.54 0.49 2.92 1.01 -0.74 -2.85 120.40 127.12 2dhi s VAL 85 Ca -0.03 1.75 -0.02 0.00 0.00 0.00 0.00 61.98 63.68 2dhi s VAL 85 Cb -0.19 -4.39 0.10 0.00 0.00 0.00 0.00 36.38 31.90 2dhi s VAL 85 CO -0.08 -0.44 0.68 0.00 0.00 0.00 0.00 175.10 175.27 2dhi h ARG 87 N 0.00 0.21 -2.90 0.00 3.08 -1.49 -3.38 114.38 109.89 2dhi h ARG 87 Ca -0.22 -0.35 -0.47 0.00 0.07 0.00 0.00 59.98 59.00 2dhi h ARG 87 Cb 0.78 0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.96 2dhi h ARG 87 CO 0.22 1.17 2.56 -0.25 -1.07 0.00 0.00 179.97 182.60 2dhi n ASP 88 N -4.09 6.79 -2.24 7.04 8.00 -1.26 -4.62 116.55 126.16 2dhi n ASP 88 Ca -0.22 -2.45 -0.02 0.00 0.71 0.00 0.00 54.79 52.81 2dhi n ASP 88 Cb 0.82 -1.36 -0.00 0.00 -0.02 0.00 0.00 41.12 40.56 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 3.38 -0.41 3.87 0.44 0.00 -1.26 -4.85 105.19 106.36 2dhi n GLY 89 Ca 0.60 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.26 2dhi n GLY 89 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dhi s LYS 90 N -4.23 3.50 -0.02 1.61 2.47 -1.26 -4.97 119.74 116.84 2dhi s LYS 90 Ca 0.03 -0.14 0.02 0.00 -1.56 0.00 0.00 55.97 54.33 2dhi s LYS 90 Cb -0.02 -3.21 0.00 0.00 -1.46 0.00 0.00 37.83 33.14 2dhi s LYS 90 CO 0.04 0.74 -0.07 0.99 0.16 0.00 0.00 175.35 177.21 2dhi s THR 91 N -0.92 0.61 -0.20 3.43 2.01 -1.26 -0.08 115.64 119.23 2dhi s THR 91 Ca 0.14 -0.29 0.01 0.00 0.31 0.00 0.00 61.69 61.86 2dhi s THR 91 Cb -0.12 -0.54 0.03 0.00 0.01 0.00 0.00 72.50 71.88 2dhi s THR 91 CO 0.04 0.19 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.36 2dhi s ILE 92 N 0.08 2.17 -0.35 1.82 1.01 -1.13 -4.98 121.20 119.82 2dhi s ILE 92 Ca -0.01 -1.09 -0.22 0.00 0.00 0.00 0.00 60.65 59.33 2dhi s ILE 92 Cb -0.06 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.40 2dhi s ILE 92 CO -0.00 0.39 0.74 -0.44 0.00 0.00 0.00 174.94 175.62 2dhi s SER 93 N 1.25 6.54 0.31 3.58 0.01 -1.26 -2.30 113.70 121.82 2dhi s SER 93 Ca 0.02 0.36 0.10 0.00 1.31 0.00 0.00 55.95 57.73 2dhi s SER 93 Cb -0.15 -2.38 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 2dhi s SER 93 CO -0.10 -0.66 -0.06 -0.76 0.41 0.00 0.00 173.24 172.06 2dhi s LEU 94 N 2.95 2.89 -0.13 2.44 1.43 0.19 -1.67 118.68 126.78 2dhi s LEU 94 Ca 0.29 -0.96 -0.08 0.00 -1.03 0.00 0.00 54.13 52.35 2dhi s LEU 94 Cb -0.14 -1.31 0.04 0.00 0.03 0.00 0.00 46.19 44.81 2dhi s LEU 94 CO 0.15 -0.11 0.31 0.00 0.23 0.00 0.00 176.35 176.93 2dhi n ALA 96 N 3.78 -0.16 -0.07 0.00 0.00 0.59 -2.02 120.51 122.63 2dhi n ALA 96 Ca -0.20 -1.94 -0.08 0.00 0.00 0.00 0.00 53.44 51.22 2dhi n ALA 96 Cb 0.55 0.24 -0.15 0.00 0.00 0.00 0.00 19.45 20.09 2dhi n ALA 96 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2dhi n GLU 97 N -3.07 0.67 -3.83 0.00 2.13 -1.26 -4.93 120.64 110.35 2dhi n GLU 97 Ca 0.17 0.07 -0.12 0.00 0.66 0.00 0.00 57.16 57.94 2dhi n GLU 97 Cb 0.60 -1.60 -0.10 0.00 0.27 0.00 0.00 31.44 30.60 2dhi n GLU 97 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2dhi s SER 98 N -5.59 -0.09 0.31 4.31 0.15 -1.26 -5.03 113.70 106.50 2dhi s SER 98 Ca -0.08 0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.67 2dhi s SER 98 Cb 0.07 0.30 0.81 0.00 -1.71 0.00 0.00 66.02 65.49 2dhi s SER 98 CO 0.83 -0.28 1.59 0.74 1.20 0.00 0.00 173.24 177.33 2dhi h THR 99 N 4.41 0.08 -0.44 6.45 2.02 -1.93 0.62 112.91 124.11 2dhi h THR 99 Ca -0.29 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 66.90 2dhi h THR 99 Cb 1.19 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 2dhi h THR 99 CO 0.39 0.01 0.26 0.44 0.37 0.00 0.00 175.52 176.99 2dhi h ASP 100 N 0.05 0.42 -0.23 4.18 5.19 -1.97 -1.61 116.42 122.45 2dhi h ASP 100 Ca 0.62 0.01 0.03 0.00 -0.62 0.00 0.00 57.03 57.06 2dhi h ASP 100 Cb 1.33 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 40.73 2dhi h ASP 100 CO -0.85 0.30 0.05 0.44 -3.12 0.00 0.00 179.24 176.06 2dhi h ASP 101 N 0.52 0.02 0.15 6.45 5.19 -0.20 -1.19 116.42 127.37 2dhi h ASP 101 Ca 0.18 0.03 0.01 0.00 -0.62 0.00 0.00 57.03 56.63 2dhi h ASP 101 Cb 0.02 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.55 2dhi h ASP 101 CO -0.09 0.05 -0.21 0.00 -3.12 0.00 0.00 179.24 175.87 2dhi h LEU 103 N -0.42 -0.46 -0.31 0.00 3.38 -1.10 -1.58 115.31 114.82 2dhi h LEU 103 Ca 0.02 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.16 2dhi h LEU 103 Cb 0.42 0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.35 2dhi h LEU 103 CO -0.09 -0.17 -0.38 0.00 0.09 0.00 0.00 178.44 177.89 2dhi h ALA 104 N 1.16 -0.37 -0.21 1.53 0.00 -0.96 0.13 119.26 120.55 2dhi h ALA 104 Ca 0.16 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.18 2dhi h ALA 104 Cb 0.32 0.77 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 2dhi h ALA 104 CO -0.36 -0.82 -0.16 -1.49 0.00 0.00 0.00 179.25 176.42 2dhi h TRP 105 N -0.34 -0.41 -0.18 0.00 -0.00 -0.93 0.20 115.95 114.29 2dhi h TRP 105 Ca 0.13 0.03 0.05 0.00 -0.00 0.00 0.00 58.89 59.10 2dhi h TRP 105 Cb 0.57 0.21 -0.05 0.00 -0.00 0.00 0.00 29.16 29.90 2dhi h TRP 105 CO -0.54 -0.23 -0.14 -0.22 -0.00 0.00 0.00 178.44 177.31 2dhi h LYS 106 N -0.17 -0.14 -0.59 0.49 3.64 -0.48 -0.25 116.57 119.08 2dhi h LYS 106 Ca 0.12 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.57 2dhi h LYS 106 Cb 0.35 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.15 2dhi h LYS 106 CO -0.31 -0.09 0.30 0.74 -2.27 0.00 0.00 179.45 177.82 2dhi h PHE 107 N -0.14 0.54 0.01 1.91 0.04 -0.25 0.82 116.94 119.88 2dhi h PHE 107 Ca 0.11 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.91 2dhi h PHE 107 Cb 0.30 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 2dhi h PHE 107 CO -0.28 0.24 -0.03 1.15 -0.60 0.00 0.00 178.31 178.79 2dhi h THR 108 N 0.56 0.93 0.80 -1.55 2.02 -0.29 -2.55 112.91 112.83 2dhi h THR 108 Ca 0.27 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.41 2dhi h THR 108 Cb 0.21 0.93 0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2dhi h THR 108 CO -0.20 0.00 -0.39 -0.07 0.37 0.00 0.00 175.52 175.24 2dhi h LEU 109 N -0.06 -0.91 -1.44 2.58 3.38 -0.66 -1.19 115.31 117.00 2dhi h LEU 109 Ca 0.01 0.02 0.26 0.00 0.09 0.00 0.00 57.88 58.26 2dhi h LEU 109 Cb 0.07 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2dhi h LEU 109 CO -0.02 -0.62 0.97 1.56 0.09 0.00 0.00 178.44 180.42 2dhi h GLN 110 N -1.14 0.00 0.18 1.13 1.08 -0.83 0.81 115.11 116.34 2dhi h GLN 110 Ca -0.11 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.74 2dhi h GLN 110 Cb 0.84 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.27 2dhi h GLN 110 CO 0.18 0.00 -1.73 0.22 -0.95 0.00 0.00 178.83 176.55 2dhi h ASP 111 N 0.00 0.59 0.00 1.46 3.58 -0.98 -3.30 116.42 117.77 2dhi h ASP 111 Ca 0.43 -0.93 0.00 0.00 0.42 0.00 0.00 57.03 56.94 2dhi h ASP 111 Cb 2.36 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 43.22 2dhi h ASP 111 CO -0.00 1.78 0.02 -1.54 -2.88 0.00 0.00 179.24 176.62 2dhi n SER 112 N -3.62 0.38 -0.09 2.28 3.41 0.28 -0.87 113.62 115.39 2dhi n SER 112 Ca -0.25 0.67 -0.11 0.00 -0.26 0.00 0.00 58.87 58.91 2dhi n SER 112 Cb 1.06 -0.71 0.02 0.00 -0.26 0.00 0.00 64.21 64.31 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 0.85 0.00 4.33 3.08 -1.53 -3.26 114.38 117.84 2dhi h ARG 113 Ca 0.00 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.62 2dhi h ARG 113 Cb 0.05 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2dhi h ARG 113 CO 0.00 1.07 -1.51 -2.37 -1.07 0.00 0.00 179.97 176.09 2dhi n THR 114 N -4.06 0.00 -3.98 2.04 5.66 -0.47 -4.87 114.28 108.60 2dhi n THR 114 Ca -0.02 -0.31 -0.34 0.00 -3.05 0.00 0.00 64.05 60.33 2dhi n THR 114 Cb 0.53 0.39 -0.15 0.00 -1.55 0.00 0.00 70.33 69.55 2dhi n THR 114 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2dhi s SER 115 N -3.65 4.14 0.00 1.09 1.04 -0.05 -4.91 113.70 111.36 2dhi s SER 115 Ca -0.02 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.61 2dhi s SER 115 Cb 0.12 -1.64 0.00 0.00 0.10 0.00 0.00 66.02 64.60 2dhi s SER 115 CO 0.76 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.49 2dhi n GLY 116 N 4.67 -1.27 3.56 7.32 0.00 -1.26 -4.24 105.19 113.97 2dhi n GLY 116 Ca -0.17 0.58 -0.27 0.00 0.00 0.00 0.00 46.02 46.16 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 0.08 2.54 -0.65 1.61 0.04 -1.26 -3.28 135.00 134.07 2dhi s PRO 117 Ca 0.00 -0.43 -0.03 0.00 0.04 0.00 0.00 61.00 60.58 2dhi s PRO 117 Cb 0.00 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.45 2dhi s PRO 117 CO 0.00 -3.48 0.56 0.45 0.04 0.00 0.00 177.00 174.57 2dhi n SER 118 N 14.05 -3.39 -0.04 6.66 2.88 -1.26 -4.95 113.62 127.58 2dhi n SER 118 Ca 0.41 -0.29 -0.13 0.00 -1.33 0.00 0.00 58.87 57.53 2dhi n SER 118 Cb 0.47 -2.80 -0.08 0.00 -0.75 0.00 0.00 64.21 61.05 2dhi n SER 118 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2dhi h SER 119 N -1.21 -1.58 0.00 -3.46 4.64 -1.90 -3.52 113.55 106.51 2dhi h SER 119 Ca -0.29 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2dhi h SER 119 Cb 1.18 0.64 0.00 0.00 -0.31 0.00 0.00 62.40 63.91 2dhi h SER 119 CO 0.27 -0.45 0.00 0.61 -0.87 0.00 0.00 176.83 176.39