#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhi h SER 2 N 0.00 0.31 -3.96 1.61 0.87 -2.14 -3.41 113.55 106.83 2dhi h SER 2 Ca 0.00 0.10 -0.50 0.00 -1.23 0.00 0.00 61.79 60.15 2dhi h SER 2 Cb 0.00 0.06 0.05 0.00 -0.44 0.00 0.00 62.40 62.07 2dhi h SER 2 CO 0.00 0.14 0.49 -0.55 -0.53 0.00 0.00 176.83 176.37 2dhi s SER 3 N -5.38 6.46 0.00 6.23 0.15 -1.26 -5.01 113.70 114.90 2dhi s SER 3 Ca -0.12 2.29 0.00 0.00 0.70 0.00 0.00 55.95 58.82 2dhi s SER 3 Cb 0.20 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2dhi s SER 3 CO 0.76 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 175.10 2dhi n GLY 4 N 0.54 1.74 3.45 9.45 0.00 -1.26 -5.11 105.19 114.00 2dhi n GLY 4 Ca 0.05 0.43 -0.44 0.00 0.00 0.00 0.00 46.02 46.07 2dhi n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dhi s SER 5 N 0.00 6.23 -0.57 1.61 0.15 -1.26 -5.01 113.70 114.85 2dhi s SER 5 Ca 0.00 -0.86 -0.27 0.00 0.70 0.00 0.00 55.95 55.51 2dhi s SER 5 Cb 0.00 -2.30 -0.00 0.00 -1.71 0.00 0.00 66.02 62.01 2dhi s SER 5 CO 0.00 -0.90 1.65 -0.94 1.20 0.00 0.00 173.24 174.25 2dhi s SER 6 N 2.67 5.71 0.41 5.45 1.04 -1.26 -4.98 113.70 122.73 2dhi s SER 6 Ca 0.16 0.36 -0.10 0.00 0.48 0.00 0.00 55.95 56.85 2dhi s SER 6 Cb -0.19 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 63.34 2dhi s SER 6 CO 0.12 -2.03 0.76 -0.83 0.98 0.00 0.00 173.24 172.25 2dhi s GLY 7 N 6.25 1.90 -0.03 7.32 0.00 -1.26 -5.07 107.32 116.43 2dhi s GLY 7 Ca 0.61 -0.24 -0.15 0.00 0.00 0.00 0.00 44.72 44.93 2dhi s GLY 7 CO 0.23 -0.06 0.41 -1.36 0.00 0.00 0.00 173.10 172.32 2dhi s PHE 8 N -2.40 3.67 0.09 1.90 0.08 -1.26 -4.27 117.98 115.79 2dhi s PHE 8 Ca 0.51 0.94 -0.33 0.00 0.12 0.00 0.00 56.93 58.16 2dhi s PHE 8 Cb -0.10 -2.33 -0.15 0.00 -0.57 0.00 0.00 43.02 39.86 2dhi s PHE 8 CO 0.33 0.54 1.52 0.28 -0.10 0.00 0.00 175.22 177.79 2dhi h VAL 9 N 3.95 0.00 -3.86 -0.44 2.07 -0.60 -3.44 116.25 113.93 2dhi h VAL 9 Ca -0.49 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 66.82 2dhi h VAL 9 Cb 1.21 0.00 -0.25 0.00 -1.52 0.00 0.00 31.29 30.73 2dhi h VAL 9 CO 0.65 0.00 -0.71 -0.75 0.02 0.00 0.00 177.57 176.78 2dhi s LYS 10 N -5.65 0.17 -0.02 1.57 2.20 -1.26 -5.00 119.74 111.75 2dhi s LYS 10 Ca -0.16 -0.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.15 2dhi s LYS 10 Cb 0.05 0.03 0.02 0.00 -1.51 0.00 0.00 37.83 36.42 2dhi s LYS 10 CO 0.57 -0.02 0.00 -1.54 -0.36 0.00 0.00 175.35 174.00 2dhi s SER 11 N -0.72 0.33 0.19 1.43 1.04 -1.26 -2.46 113.70 112.25 2dhi s SER 11 Ca -0.08 -0.02 -0.23 0.00 0.48 0.00 0.00 55.95 56.10 2dhi s SER 11 Cb -0.05 -0.17 0.05 0.00 0.10 0.00 0.00 66.02 65.95 2dhi s SER 11 CO -0.00 -0.09 0.77 -0.83 0.98 0.00 0.00 173.24 174.07 2dhi s GLY 12 N 0.88 -0.28 -0.11 7.32 0.00 -1.19 -5.04 107.32 108.91 2dhi s GLY 12 Ca -0.09 0.10 -0.26 0.00 0.00 0.00 0.00 44.72 44.48 2dhi s GLY 12 CO -0.02 0.03 0.85 -0.98 0.00 0.00 0.00 173.10 172.98 2dhi s TRP 13 N -3.65 3.51 0.01 1.90 0.52 -1.26 -2.69 118.94 117.28 2dhi s TRP 13 Ca 0.09 1.37 0.00 0.00 0.02 0.00 0.00 56.10 57.58 2dhi s TRP 13 Cb -0.03 -3.00 -0.01 0.00 -1.15 0.00 0.00 33.47 29.27 2dhi s TRP 13 CO -0.00 -0.13 -0.03 -0.51 0.02 0.00 0.00 176.95 176.31 2dhi s LEU 14 N 1.64 2.12 -0.24 2.99 1.43 -0.69 -4.34 118.68 121.60 2dhi s LEU 14 Ca 0.41 -0.26 -0.17 0.00 -1.03 0.00 0.00 54.13 53.09 2dhi s LEU 14 Cb -0.18 -0.01 -0.03 0.00 0.03 0.00 0.00 46.19 46.00 2dhi s LEU 14 CO 0.17 -0.13 0.45 -0.76 0.23 0.00 0.00 176.35 176.31 2dhi s LEU 15 N -0.73 4.09 -0.18 1.79 1.43 -0.69 -0.57 118.68 123.82 2dhi s LEU 15 Ca -0.07 0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 53.49 2dhi s LEU 15 Cb -0.05 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 2dhi s LEU 15 CO -0.00 -0.18 -0.05 -0.60 0.23 0.00 0.00 176.35 175.75 2dhi s ARG 16 N 1.84 3.51 -0.28 1.70 3.52 -0.90 -0.50 118.95 127.84 2dhi s ARG 16 Ca 0.19 -0.58 -0.29 0.00 -0.13 0.00 0.00 55.73 54.92 2dhi s ARG 16 Cb -0.15 -2.93 -0.02 0.00 -1.56 0.00 0.00 34.95 30.29 2dhi s ARG 16 CO 0.09 0.05 1.64 -1.14 -0.81 0.00 0.00 175.30 175.13 2dhi s GLN 17 N 0.85 3.63 -0.03 5.12 0.74 -0.36 -2.99 119.66 126.61 2dhi s GLN 17 Ca -0.01 1.49 -0.21 0.00 0.05 0.00 0.00 55.36 56.67 2dhi s GLN 17 Cb -0.15 -4.08 -0.05 0.00 1.10 0.00 0.00 33.01 29.84 2dhi s GLN 17 CO 0.01 -1.50 0.61 0.45 -0.55 0.00 0.00 175.29 174.32 2dhi s SER 18 N 4.73 6.95 0.52 6.67 0.15 -1.20 -4.66 113.70 126.86 2dhi s SER 18 Ca 0.72 1.13 0.31 0.00 0.70 0.00 0.00 55.95 58.81 2dhi s SER 18 Cb -0.22 -2.37 1.10 0.00 -1.71 0.00 0.00 66.02 62.82 2dhi s SER 18 CO 0.31 0.03 1.89 0.00 1.20 0.00 0.00 173.24 176.67 2dhi h THR 19 N 4.38 0.00 0.15 6.45 1.03 -1.93 0.66 112.91 123.65 2dhi h THR 19 Ca -0.43 -0.63 -0.33 0.00 -0.01 0.00 0.00 66.41 65.00 2dhi h THR 19 Cb 1.20 1.63 0.00 0.00 -1.07 0.00 0.00 68.15 69.91 2dhi h THR 19 CO 0.72 0.00 -1.70 0.40 -0.01 0.00 0.00 175.52 174.93 2dhi h ILE 20 N 0.00 0.90 -0.01 0.00 5.03 -1.98 -3.35 117.51 118.10 2dhi h ILE 20 Ca 0.00 -2.44 0.00 0.00 -0.12 0.00 0.00 64.86 62.30 2dhi h ILE 20 Cb 0.64 2.69 0.00 0.00 -3.03 0.00 0.00 36.82 37.11 2dhi h ILE 20 CO 0.00 0.82 -0.49 0.18 -0.68 0.00 0.00 178.15 177.97 2dhi n LEU 21 N -3.68 1.10 -4.19 1.44 4.77 -1.20 -4.97 117.00 110.26 2dhi n LEU 21 Ca -0.26 -0.34 -0.35 0.00 -0.03 0.00 0.00 56.01 55.03 2dhi n LEU 21 Cb 1.01 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.94 2dhi n LEU 21 CO 0.46 0.22 -0.37 0.29 -1.33 0.00 0.00 177.39 176.67 2dhi n LYS 22 N -0.88 -0.71 -3.60 3.23 4.76 0.23 -4.90 118.16 116.29 2dhi n LYS 22 Ca 0.08 0.07 -0.09 0.00 -2.87 0.00 0.00 58.31 55.50 2dhi n LYS 22 Cb 0.37 -3.07 -0.05 0.00 -1.84 0.00 0.00 35.03 30.43 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 -7.28 0.49 -0.02 1.97 1.70 -1.22 -4.97 118.95 109.62 2dhi s ARG 23 Ca 0.15 0.19 -0.30 0.00 -0.47 0.00 0.00 55.73 55.30 2dhi s ARG 23 Cb -0.08 0.23 -0.06 0.00 -0.57 0.00 0.00 34.95 34.47 2dhi s ARG 23 CO 0.95 -0.14 1.62 -1.58 -1.08 0.00 0.00 175.30 175.08 2dhi s TRP 24 N -0.87 2.19 -0.08 5.89 0.52 -1.26 -3.24 118.94 122.09 2dhi s TRP 24 Ca 0.01 0.30 0.04 0.00 0.02 0.00 0.00 56.10 56.47 2dhi s TRP 24 Cb -0.01 -3.90 0.00 0.00 -1.15 0.00 0.00 33.47 28.41 2dhi s TRP 24 CO -0.01 -3.68 -0.21 -1.59 0.02 0.00 0.00 176.95 171.47 2dhi s LYS 25 N 3.48 2.58 0.26 4.98 -2.85 -1.16 -4.92 119.74 122.11 2dhi s LYS 25 Ca 0.72 -0.76 -0.31 0.00 -1.00 0.00 0.00 55.97 54.63 2dhi s LYS 25 Cb -0.35 -2.02 -0.12 0.00 -2.06 0.00 0.00 37.83 33.28 2dhi s LYS 25 CO 0.30 0.18 1.61 1.17 0.10 0.00 0.00 175.35 178.71 2dhi n LYS 26 N 3.47 2.61 -4.18 1.78 4.81 -1.26 -2.12 118.16 123.27 2dhi n LYS 26 Ca -0.20 0.93 -0.13 0.00 -0.87 0.00 0.00 58.31 58.05 2dhi n LYS 26 Cb 0.53 -2.72 -0.09 0.00 0.02 0.00 0.00 35.03 32.77 2dhi n LYS 26 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2dhi s ASN 27 N 0.68 0.36 -0.25 3.14 0.02 0.26 -4.85 114.94 114.30 2dhi s ASN 27 Ca 0.68 -1.38 -0.00 0.00 -1.02 0.00 0.00 52.86 51.13 2dhi s ASN 27 Cb -0.53 0.44 0.03 0.00 0.02 0.00 0.00 41.25 41.22 2dhi s ASN 27 CO 0.44 -0.93 -0.08 0.86 0.02 0.00 0.00 177.10 177.41 2dhi s TRP 28 N -4.00 3.10 0.05 2.20 -0.00 -0.99 -1.70 118.94 117.59 2dhi s TRP 28 Ca 0.37 -1.76 -0.02 0.00 -0.00 0.00 0.00 56.10 54.70 2dhi s TRP 28 Cb 0.05 -2.02 -0.04 0.00 -0.00 0.00 0.00 33.47 31.46 2dhi s TRP 28 CO 0.14 -0.78 0.22 -0.06 -0.00 0.00 0.00 176.95 176.48 2dhi s PHE 29 N 1.27 3.53 -0.21 5.86 0.40 -1.09 0.25 117.98 127.98 2dhi s PHE 29 Ca -0.02 0.33 -0.05 0.00 -0.60 0.00 0.00 56.93 56.59 2dhi s PHE 29 Cb -0.17 -1.82 0.11 0.00 0.51 0.00 0.00 43.02 41.65 2dhi s PHE 29 CO -0.05 0.59 0.38 -0.51 0.70 0.00 0.00 175.22 176.33 2dhi s ASP 30 N -2.32 0.07 0.18 1.36 1.11 -0.76 -3.16 116.67 113.15 2dhi s ASP 30 Ca 0.33 0.58 -0.15 0.00 0.18 0.00 0.00 52.55 53.49 2dhi s ASP 30 Cb -0.13 1.15 -0.07 0.00 1.07 0.00 0.00 42.92 44.94 2dhi s ASP 30 CO 0.25 -0.26 0.60 -0.22 1.18 0.00 0.00 175.17 176.71 2dhi s LEU 31 N 2.56 4.31 0.40 1.23 2.96 -1.03 -1.55 118.68 127.55 2dhi s LEU 31 Ca 0.05 1.16 0.07 0.00 -0.22 0.00 0.00 54.13 55.19 2dhi s LEU 31 Cb -0.14 -3.41 0.00 0.00 0.50 0.00 0.00 46.19 43.14 2dhi s LEU 31 CO -0.14 0.06 0.55 0.26 -1.32 0.00 0.00 176.35 175.76 2dhi s TRP 32 N -1.53 2.93 0.27 5.38 0.52 0.18 0.09 118.94 126.77 2dhi s TRP 32 Ca 0.40 -0.30 0.05 0.00 0.02 0.00 0.00 56.10 56.28 2dhi s TRP 32 Cb -0.15 -2.27 0.35 0.00 -1.15 0.00 0.00 33.47 30.26 2dhi s TRP 32 CO 0.20 -0.31 1.63 1.03 0.02 0.00 0.00 176.95 179.52 2dhi h SER 33 N 0.69 0.28 -0.01 2.95 0.87 -1.85 -2.47 113.55 114.00 2dhi h SER 33 Ca -0.42 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 2dhi h SER 33 Cb 1.27 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2dhi h SER 33 CO 0.48 0.73 0.00 0.47 -0.53 0.00 0.00 176.83 177.98 2dhi n ASP 34 N -3.96 0.27 0.00 6.23 9.92 -1.26 -4.88 116.55 122.87 2dhi n ASP 34 Ca -0.02 -1.26 0.00 0.00 -0.53 0.00 0.00 54.79 52.98 2dhi n ASP 34 Cb 0.54 -0.01 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 0.95 2.87 3.56 0.44 0.00 -0.93 -4.56 105.19 107.51 2dhi n GLY 35 Ca 0.19 -0.14 -0.50 0.00 0.00 0.00 0.00 46.02 45.57 2dhi n GLY 35 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dhi n HIS 36 N 0.00 1.10 -5.11 1.61 8.25 -1.26 -3.91 115.22 115.90 2dhi n HIS 36 Ca 0.00 0.74 -0.32 0.00 -0.26 0.00 0.00 57.72 57.88 2dhi n HIS 36 Cb 0.00 -2.24 -0.16 0.00 1.12 0.00 0.00 29.99 28.71 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 0.77 2.23 -0.04 2.41 2.96 -0.47 0.48 118.68 127.02 2dhi s LEU 37 Ca 0.74 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 2dhi s LEU 37 Cb -0.90 -1.46 0.03 0.00 0.50 0.00 0.00 46.19 44.36 2dhi s LEU 37 CO 0.53 0.16 -0.00 -0.63 -1.32 0.00 0.00 176.35 175.08 2dhi s ILE 38 N 0.36 0.27 0.09 6.68 1.01 -0.60 -0.98 121.20 128.02 2dhi s ILE 38 Ca -0.17 0.07 0.08 0.00 0.00 0.00 0.00 60.65 60.64 2dhi s ILE 38 Cb -0.17 -0.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.89 2dhi s ILE 38 CO 0.08 0.18 -0.18 -0.72 0.00 0.00 0.00 174.94 174.30 2dhi s TYR 39 N 1.25 2.54 0.49 3.97 1.13 -1.17 -1.83 117.35 123.71 2dhi s TYR 39 Ca -0.06 -0.27 0.06 0.00 -1.41 0.00 0.00 57.07 55.39 2dhi s TYR 39 Cb -0.13 -1.39 0.00 0.00 -1.10 0.00 0.00 41.96 39.34 2dhi s TYR 39 CO -0.02 0.33 0.33 0.71 -2.51 0.00 0.00 175.55 174.39 2dhi s TYR 40 N -1.05 2.08 0.23 -3.49 2.02 0.14 -1.96 117.35 115.32 2dhi s TYR 40 Ca 0.16 -0.72 0.06 0.00 -0.37 0.00 0.00 57.07 56.21 2dhi s TYR 40 Cb -0.11 -1.97 0.21 0.00 -0.40 0.00 0.00 41.96 39.70 2dhi s TYR 40 CO 0.08 -0.22 1.53 0.22 -1.57 0.00 0.00 175.55 175.58 2dhi h ASP 41 N 0.98 0.17 -1.85 2.29 3.58 -1.84 -2.63 116.42 117.13 2dhi h ASP 41 Ca -0.39 -0.11 0.02 0.00 0.42 0.00 0.00 57.03 56.97 2dhi h ASP 41 Cb 1.28 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 42.28 2dhi h ASP 41 CO 0.61 0.80 0.20 0.47 -2.88 0.00 0.00 179.24 178.43 2dhi n ASP 42 N -3.78 -1.06 0.12 2.28 8.00 -1.26 -4.53 116.55 116.31 2dhi n ASP 42 Ca -0.02 -1.68 0.06 0.00 0.71 0.00 0.00 54.79 53.86 2dhi n ASP 42 Cb 0.67 1.75 0.34 0.00 -0.02 0.00 0.00 41.12 43.86 2dhi n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dhi n GLN 43 N -0.30 0.08 0.26 -1.24 -0.00 -1.26 -1.40 117.38 113.52 2dhi n GLN 43 Ca -0.03 0.55 0.18 0.00 -0.00 0.00 0.00 57.00 57.69 2dhi n GLN 43 Cb 0.30 -1.91 0.92 0.00 -0.00 0.00 0.00 30.24 29.55 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 0.32 -6.17 -0.39 1.35 -1.98 -3.45 112.91 102.58 2dhi h THR 44 Ca 0.00 0.00 -0.37 0.00 -0.55 0.00 0.00 66.41 65.49 2dhi h THR 44 Cb 0.28 0.87 -0.23 0.00 -1.73 0.00 0.00 68.15 67.34 2dhi h THR 44 CO 0.00 0.00 -0.53 0.54 -0.25 0.00 0.00 175.52 175.28 2dhi n ARG 45 N -3.53 -1.58 0.00 4.72 1.74 -0.50 -4.66 116.66 112.84 2dhi n ARG 45 Ca -0.00 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2dhi n ARG 45 Cb 0.25 -4.45 0.00 0.00 -1.02 0.00 0.00 32.46 27.24 2dhi n ARG 45 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dhi n GLN 46 N -3.32 2.83 -3.15 5.56 10.64 -1.26 -4.88 117.38 123.79 2dhi n GLN 46 Ca 0.07 0.00 -0.44 0.00 -1.83 0.00 0.00 57.00 54.80 2dhi n GLN 46 Cb 0.45 -0.95 0.00 0.00 -0.86 0.00 0.00 30.24 28.88 2dhi n GLN 46 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2dhi n SER 47 N -1.96 5.45 -4.50 2.61 2.88 -1.26 -4.99 113.62 111.85 2dhi n SER 47 Ca 0.00 -3.04 -0.41 0.00 -1.33 0.00 0.00 58.87 54.09 2dhi n SER 47 Cb 0.45 -1.45 -0.09 0.00 -0.75 0.00 0.00 64.21 62.37 2dhi n SER 47 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2dhi n ILE 48 N 3.31 -0.00 -0.01 2.46 5.41 -1.26 -2.95 119.36 126.32 2dhi n ILE 48 Ca 0.29 -0.36 -0.12 0.00 1.00 0.00 0.00 62.75 63.57 2dhi n ILE 48 Cb 0.40 -1.60 -0.06 0.00 -0.71 0.00 0.00 39.64 37.66 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 15.03 0.12 -2.12 0.38 4.39 -1.68 -3.48 114.58 127.22 2dhi h GLU 49 Ca -0.16 -0.02 0.27 0.00 0.34 0.00 0.00 59.36 59.79 2dhi h GLU 49 Cb 1.30 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.86 2dhi h GLU 49 CO 1.23 0.20 0.75 0.34 -1.16 0.00 0.00 179.01 180.37 2dhi s ASP 50 N -5.41 -0.03 -0.06 1.42 2.15 -1.17 -5.06 116.67 108.51 2dhi s ASP 50 Ca -0.14 -0.35 -0.06 0.00 0.43 0.00 0.00 52.55 52.43 2dhi s ASP 50 Cb 0.06 0.29 0.02 0.00 -0.30 0.00 0.00 42.92 42.99 2dhi s ASP 50 CO 0.68 -0.57 0.18 -0.75 -0.17 0.00 0.00 175.17 174.54 2dhi s LYS 51 N -2.27 0.22 -0.26 4.34 2.20 -1.26 -3.07 119.74 119.63 2dhi s LYS 51 Ca 0.22 0.23 -0.20 0.00 -0.36 0.00 0.00 55.97 55.86 2dhi s LYS 51 Cb -0.00 0.10 0.07 0.00 -1.51 0.00 0.00 37.83 36.49 2dhi s LYS 51 CO 0.01 -0.03 0.66 0.08 -0.36 0.00 0.00 175.35 175.71 2dhi s VAL 52 N 0.05 -0.00 0.74 4.02 1.01 -0.15 -5.03 120.40 121.04 2dhi s VAL 52 Ca -0.00 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 2dhi s VAL 52 Cb -0.01 -0.93 0.04 0.00 0.00 0.00 0.00 36.38 35.48 2dhi s VAL 52 CO 0.00 0.00 1.11 -2.28 0.00 0.00 0.00 175.10 173.94 2dhi s HIS 53 N 0.89 3.16 0.00 5.22 2.46 -1.26 -1.37 115.29 124.39 2dhi s HIS 53 Ca -0.04 0.88 0.00 0.00 0.47 0.00 0.00 55.06 56.37 2dhi s HIS 53 Cb -0.05 -3.22 0.00 0.00 -0.13 0.00 0.00 32.58 29.18 2dhi s HIS 53 CO -0.08 -1.39 0.00 -1.33 -2.47 0.00 0.00 174.74 169.47 2dhi n MET 54 N -3.09 0.00 0.00 2.88 2.81 -1.25 -2.50 117.12 115.96 2dhi n MET 54 Ca 0.07 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 56.02 2dhi n MET 54 Cb 0.59 -0.45 0.33 0.00 -0.71 0.00 0.00 33.22 32.98 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 -2.47 0.49 0.00 0.03 -0.04 -1.26 -0.70 135.00 131.04 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 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 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 -0.86 0.00 -0.10 0.52 0.31 -1.26 -4.89 118.33 112.06 2dhi n VAL 56 Ca 0.08 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.22 2dhi n VAL 56 Cb 0.04 -1.24 -0.12 0.00 -0.91 0.00 0.00 33.84 31.61 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 0.00 -4.05 4.52 1.82 -1.56 -3.46 116.42 113.69 2dhi h ASP 57 Ca 0.00 -0.61 -0.45 0.00 -0.39 0.00 0.00 57.03 55.58 2dhi h ASP 57 Cb 0.88 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.88 2dhi h ASP 57 CO 0.00 1.37 0.35 0.00 -1.61 0.00 0.00 179.24 179.35 2dhi n ILE 59 N -0.63 0.00 -3.91 0.00 -5.35 0.77 -4.42 119.36 105.83 2dhi n ILE 59 Ca 0.07 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.45 2dhi n ILE 59 Cb 0.53 -0.57 -0.11 0.00 -1.74 0.00 0.00 39.64 37.75 2dhi n ILE 59 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2dhi s ASN 60 N -2.93 0.09 -0.13 7.28 3.84 -1.14 -5.04 114.94 116.91 2dhi s ASN 60 Ca 0.00 -0.24 0.02 0.00 0.21 0.00 0.00 52.86 52.85 2dhi s ASN 60 Cb 0.00 0.15 0.00 0.00 -0.55 0.00 0.00 41.25 40.85 2dhi s ASN 60 CO 0.00 -0.26 -0.20 -0.63 -2.79 0.00 0.00 177.10 173.22 2dhi s ILE 61 N -1.06 2.30 0.16 -5.21 1.01 -1.26 -0.11 121.20 117.04 2dhi s ILE 61 Ca -0.12 -0.91 0.09 0.00 0.00 0.00 0.00 60.65 59.71 2dhi s ILE 61 Cb -0.07 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 2dhi s ILE 61 CO 0.00 0.54 -0.13 -0.13 0.00 0.00 0.00 174.94 175.22 2dhi s ARG 62 N 0.64 1.95 -0.08 2.79 0.52 -0.96 -5.00 118.95 118.80 2dhi s ARG 62 Ca -0.10 -1.26 -0.05 0.00 -0.52 0.00 0.00 55.73 53.79 2dhi s ARG 62 Cb -0.16 -2.12 0.03 0.00 0.52 0.00 0.00 34.95 33.22 2dhi s ARG 62 CO 0.02 0.44 0.20 0.95 0.02 0.00 0.00 175.30 176.94 2dhi s THR 63 N -1.55 -0.03 0.00 0.02 -4.23 -1.26 -0.60 115.64 107.99 2dhi s THR 63 Ca 0.23 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.84 2dhi s THR 63 Cb -0.09 -0.31 0.00 0.00 1.34 0.00 0.00 72.50 73.44 2dhi s THR 63 CO 0.13 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.87 2dhi n GLY 64 N 3.76 1.90 0.33 3.99 0.00 -1.17 -3.03 105.19 110.96 2dhi n GLY 64 Ca -0.21 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.34 2dhi n GLY 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2dhi h HIS 65 N 0.00 1.00 -1.02 1.61 -0.00 -1.95 -1.45 115.15 113.34 2dhi h HIS 65 Ca 0.00 0.03 0.29 0.00 -0.00 0.00 0.00 60.37 60.69 2dhi h HIS 65 Cb 0.00 -0.32 -0.13 0.00 -0.00 0.00 0.00 27.41 26.96 2dhi h HIS 65 CO 0.00 0.45 0.60 0.93 -0.00 0.00 0.00 177.93 179.91 2dhi h GLU 66 N 0.93 0.42 -6.85 2.45 4.39 -1.93 -3.41 114.58 110.58 2dhi h GLU 66 Ca 0.42 -0.03 -0.46 0.00 0.34 0.00 0.00 59.36 59.63 2dhi h GLU 66 Cb 0.31 -0.10 0.23 0.00 -0.10 0.00 0.00 28.75 29.09 2dhi h GLU 66 CO -0.22 0.28 -0.65 0.00 -1.16 0.00 0.00 179.01 177.26 2dhi n ARG 68 N -3.07 -1.16 -0.59 0.00 1.74 -1.26 -4.67 116.66 107.65 2dhi n ARG 68 Ca 0.02 -0.40 -0.04 0.00 -0.77 0.00 0.00 57.85 56.66 2dhi n ARG 68 Cb 0.59 -0.70 -0.06 0.00 -1.02 0.00 0.00 32.46 31.26 2dhi n ARG 68 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2dhi n ASP 69 N -1.98 4.36 -3.09 0.55 9.92 -1.26 -4.85 116.55 120.20 2dhi n ASP 69 Ca 0.04 -2.23 -0.12 0.00 -0.53 0.00 0.00 54.79 51.96 2dhi n ASP 69 Cb 0.16 -1.04 0.07 0.00 -0.64 0.00 0.00 41.12 39.68 2dhi n ASP 69 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 2dhi n ILE 70 N 2.03 0.00 -3.79 0.53 -5.35 -1.26 -5.13 119.36 106.39 2dhi n ILE 70 Ca 0.16 -0.65 -0.13 0.00 -0.27 0.00 0.00 62.75 61.86 2dhi n ILE 70 Cb 0.56 -1.34 -0.11 0.00 -1.74 0.00 0.00 39.64 37.01 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 -3.86 0.32 0.52 6.28 -2.07 -1.26 -5.10 119.66 114.48 2dhi s GLN 71 Ca 0.32 0.27 -0.21 0.00 -1.82 0.00 0.00 55.36 53.92 2dhi s GLN 71 Cb -0.01 0.15 -0.06 0.00 -1.09 0.00 0.00 33.01 31.99 2dhi s GLN 71 CO 0.22 -0.05 1.14 -1.25 -1.32 0.00 0.00 175.29 174.03 2dhi s PRO 72 N -0.04 3.49 0.00 9.60 0.04 -1.26 -5.05 135.00 141.77 2dhi s PRO 72 Ca -0.02 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2dhi s PRO 72 Cb -0.02 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2dhi s PRO 72 CO 0.01 -0.75 0.00 -0.35 0.04 0.00 0.00 177.00 175.95 2dhi n PRO 73 N -1.04 -0.21 -2.50 0.56 -0.04 -1.26 -4.96 135.00 125.54 2dhi n PRO 73 Ca 0.10 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.24 2dhi n PRO 73 Cb 0.50 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.92 2dhi n PRO 73 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dhi s ASP 74 N -1.51 6.67 -1.14 3.54 1.11 -1.26 -3.66 116.67 120.42 2dhi s ASP 74 Ca 0.00 1.62 0.00 0.00 0.18 0.00 0.00 52.55 54.35 2dhi s ASP 74 Cb 0.00 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.47 2dhi s ASP 74 CO 0.00 -0.55 0.00 0.61 1.18 0.00 0.00 175.17 176.41 2dhi n GLY 75 N -1.29 -0.12 2.81 0.21 0.00 -1.26 -4.93 105.19 100.61 2dhi n GLY 75 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.60 0.00 0.38 1.61 -0.14 -1.24 -5.10 119.74 110.65 2dhi s LYS 76 Ca 0.00 0.27 -0.06 0.00 -1.36 0.00 0.00 55.97 54.82 2dhi s LYS 76 Cb 0.00 -0.25 0.09 0.00 -1.68 0.00 0.00 37.83 36.00 2dhi s LYS 76 CO 0.00 -0.18 0.34 -0.35 -0.76 0.00 0.00 175.35 174.39 2dhi n PRO 77 N 4.31 -1.68 -0.49 -1.68 -0.04 -1.26 -4.51 135.00 129.65 2dhi n PRO 77 Ca -0.25 -0.54 0.08 0.00 -0.04 0.00 0.00 63.50 62.76 2dhi n PRO 77 Cb 0.50 -0.50 0.27 0.00 -0.04 0.00 0.00 33.50 33.74 2dhi n PRO 77 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2dhi n ARG 78 N -2.54 3.14 -0.00 0.54 0.63 -1.26 -4.37 116.66 112.81 2dhi n ARG 78 Ca 0.05 -2.86 0.04 0.00 -0.92 0.00 0.00 57.85 54.15 2dhi n ARG 78 Cb 0.18 -1.88 -0.05 0.00 0.45 0.00 0.00 32.46 31.16 2dhi n ARG 78 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2dhi n ASP 79 N -0.35 1.83 -1.02 6.15 8.00 -1.26 -4.07 116.55 125.83 2dhi n ASP 79 Ca 0.22 -0.33 0.10 0.00 0.71 0.00 0.00 54.79 55.49 2dhi n ASP 79 Cb 0.92 1.17 0.27 0.00 -0.02 0.00 0.00 41.12 43.45 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 -1.24 4.17 -0.03 0.00 1.43 -1.26 -1.69 118.68 120.06 2dhi s LEU 81 Ca 0.38 1.97 -0.01 0.00 -1.03 0.00 0.00 54.13 55.44 2dhi s LEU 81 Cb 0.21 -4.17 0.03 0.00 0.03 0.00 0.00 46.19 42.28 2dhi s LEU 81 CO 0.28 -0.39 0.04 -0.22 0.23 0.00 0.00 176.35 176.29 2dhi s LEU 82 N -2.55 0.71 0.13 1.79 2.96 0.63 -3.04 118.68 119.31 2dhi s LEU 82 Ca 0.56 0.04 0.09 0.00 -0.22 0.00 0.00 54.13 54.60 2dhi s LEU 82 Cb -0.20 -0.14 -0.04 0.00 0.50 0.00 0.00 46.19 46.31 2dhi s LEU 82 CO 0.26 -0.17 -0.22 -1.58 -1.32 0.00 0.00 176.35 173.31 2dhi s GLN 83 N 1.53 1.25 -0.25 1.98 0.74 0.23 0.91 119.66 126.06 2dhi s GLN 83 Ca -0.03 -1.28 0.01 0.00 0.05 0.00 0.00 55.36 54.10 2dhi s GLN 83 Cb -0.13 -1.53 0.07 0.00 1.10 0.00 0.00 33.01 32.52 2dhi s GLN 83 CO -0.03 0.35 -0.03 0.42 -0.55 0.00 0.00 175.29 175.45 2dhi s ILE 84 N -1.35 1.52 -0.39 -2.34 -1.09 -1.05 -2.27 121.20 114.23 2dhi s ILE 84 Ca 0.11 -1.31 -0.29 0.00 -2.23 0.00 0.00 60.65 56.93 2dhi s ILE 84 Cb -0.09 -1.84 0.02 0.00 -1.58 0.00 0.00 42.46 38.97 2dhi s ILE 84 CO 0.06 -0.18 1.18 -0.69 -1.23 0.00 0.00 174.94 174.07 2dhi s VAL 85 N 1.38 4.25 0.68 2.92 1.01 0.85 -3.15 120.40 128.34 2dhi s VAL 85 Ca -0.03 1.36 -0.10 0.00 0.00 0.00 0.00 61.98 63.21 2dhi s VAL 85 Cb -0.19 -4.42 0.01 0.00 0.00 0.00 0.00 36.38 31.79 2dhi s VAL 85 CO -0.08 -0.72 1.05 0.00 0.00 0.00 0.00 175.10 175.35 2dhi n ARG 87 N -2.91 0.00 0.00 0.00 1.74 0.55 -3.74 116.66 112.30 2dhi n ARG 87 Ca 0.06 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 2dhi n ARG 87 Cb 0.57 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 2dhi n ARG 87 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2dhi n ASP 88 N -1.76 0.00 0.00 0.55 9.92 -1.26 -4.82 116.55 119.18 2dhi n ASP 88 Ca 0.00 0.98 0.00 0.00 -0.53 0.00 0.00 54.79 55.24 2dhi n ASP 88 Cb 0.00 -0.48 0.00 0.00 -0.64 0.00 0.00 41.12 40.00 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 -0.99 0.00 3.44 0.44 0.00 -1.25 -5.11 105.19 101.72 2dhi n GLY 89 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 3.14 -0.28 1.61 2.20 -1.26 -4.90 119.74 120.25 2dhi s LYS 90 Ca 0.00 -0.87 -0.16 0.00 -0.36 0.00 0.00 55.97 54.57 2dhi s LYS 90 Cb 0.00 -4.17 -0.03 0.00 -1.51 0.00 0.00 37.83 32.12 2dhi s LYS 90 CO 0.00 -1.51 0.45 0.99 -0.36 0.00 0.00 175.35 174.92 2dhi s THR 91 N 3.26 5.11 -0.29 3.43 2.01 -1.26 -2.51 115.64 125.39 2dhi s THR 91 Ca 0.19 0.65 -0.08 0.00 0.31 0.00 0.00 61.69 62.76 2dhi s THR 91 Cb -0.19 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 2dhi s THR 91 CO 0.11 0.08 0.11 -0.63 -0.69 0.00 0.00 174.62 173.60 2dhi s ILE 92 N 2.21 4.38 -0.23 1.82 1.01 -1.19 -4.97 121.20 124.24 2dhi s ILE 92 Ca 0.18 -0.40 -0.24 0.00 0.00 0.00 0.00 60.65 60.19 2dhi s ILE 92 Cb -0.16 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.12 2dhi s ILE 92 CO 0.10 0.16 0.79 -0.44 0.00 0.00 0.00 174.94 175.55 2dhi s SER 93 N 1.59 6.82 0.21 3.58 0.01 -1.26 -2.54 113.70 122.10 2dhi s SER 93 Ca 0.05 1.01 0.09 0.00 1.31 0.00 0.00 55.95 58.41 2dhi s SER 93 Cb -0.16 -2.42 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 2dhi s SER 93 CO 0.05 -0.46 -0.18 -0.76 0.41 0.00 0.00 173.24 172.30 2dhi s LEU 94 N 2.60 2.52 -0.01 2.44 1.43 0.26 -1.23 118.68 126.69 2dhi s LEU 94 Ca 0.34 -0.96 0.01 0.00 -1.03 0.00 0.00 54.13 52.49 2dhi s LEU 94 Cb -0.16 -0.88 0.00 0.00 0.03 0.00 0.00 46.19 45.18 2dhi s LEU 94 CO 0.09 -0.04 -0.03 0.00 0.23 0.00 0.00 176.35 176.59 2dhi s ALA 96 N 0.02 3.40 0.22 0.00 0.00 -0.68 -1.70 121.76 123.02 2dhi s ALA 96 Ca 0.00 -0.94 -0.15 0.00 0.00 0.00 0.00 51.96 50.87 2dhi s ALA 96 Cb -0.03 -1.42 0.24 0.00 0.00 0.00 0.00 23.12 21.92 2dhi s ALA 96 CO -0.00 0.67 1.42 0.39 0.00 0.00 0.00 175.76 178.24 2dhi n GLU 97 N 1.21 -0.20 -4.23 0.00 4.71 -1.26 -4.71 120.64 116.17 2dhi n GLU 97 Ca -0.13 1.41 -0.18 0.00 -0.01 0.00 0.00 57.16 58.25 2dhi n GLU 97 Cb 0.53 -2.10 -0.07 0.00 -1.01 0.00 0.00 31.44 28.79 2dhi n GLU 97 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2dhi s SER 98 N -5.32 1.50 0.13 1.62 0.15 -1.26 -4.98 113.70 105.54 2dhi s SER 98 Ca -0.13 -1.70 -0.21 0.00 0.70 0.00 0.00 55.95 54.62 2dhi s SER 98 Cb 0.19 0.60 -0.02 0.00 -1.71 0.00 0.00 66.02 65.08 2dhi s SER 98 CO 0.66 -1.15 1.69 0.74 1.20 0.00 0.00 173.24 176.38 2dhi h THR 99 N 2.11 0.69 -0.63 6.45 2.02 -1.89 -2.13 112.91 119.54 2dhi h THR 99 Ca -0.26 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.05 2dhi h THR 99 Cb 1.23 0.69 -0.09 0.00 -1.74 0.00 0.00 68.15 68.24 2dhi h THR 99 CO 0.37 0.00 0.12 -0.78 0.37 0.00 0.00 175.52 175.59 2dhi h ASP 100 N -0.09 -0.04 0.06 4.18 1.82 -1.97 -1.03 116.42 119.35 2dhi h ASP 100 Ca 0.10 0.13 0.02 0.00 -0.39 0.00 0.00 57.03 56.89 2dhi h ASP 100 Cb 0.24 0.18 -0.03 0.00 0.68 0.00 0.00 39.33 40.40 2dhi h ASP 100 CO -0.23 -0.02 -0.20 0.44 -1.61 0.00 0.00 179.24 177.62 2dhi h ASP 101 N 0.24 -0.58 0.26 2.28 5.19 -1.78 -1.40 116.42 120.63 2dhi h ASP 101 Ca 0.33 0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.83 2dhi h ASP 101 Cb 0.52 0.23 -0.04 0.00 0.18 0.00 0.00 39.33 40.23 2dhi h ASP 101 CO -0.44 -0.28 -0.44 0.00 -3.12 0.00 0.00 179.24 174.96 2dhi h LEU 103 N -0.78 0.16 -0.13 0.00 3.38 -1.08 0.44 115.31 117.30 2dhi h LEU 103 Ca -0.01 0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.15 2dhi h LEU 103 Cb 0.74 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 2dhi h LEU 103 CO -0.17 -0.05 -0.01 0.00 0.09 0.00 0.00 178.44 178.29 2dhi h ALA 104 N 1.70 0.10 0.24 1.53 0.00 -0.56 -0.84 119.26 121.44 2dhi h ALA 104 Ca 0.52 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.46 2dhi h ALA 104 Cb 0.98 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2dhi h ALA 104 CO -0.56 -0.47 -0.12 -1.49 0.00 0.00 0.00 179.25 176.62 2dhi h TRP 105 N 0.02 -0.30 -0.00 0.00 -0.00 -0.16 -1.41 115.95 114.09 2dhi h TRP 105 Ca 0.06 -0.01 0.03 0.00 -0.00 0.00 0.00 58.89 58.97 2dhi h TRP 105 Cb 0.08 0.10 -0.06 0.00 -0.00 0.00 0.00 29.16 29.28 2dhi h TRP 105 CO -0.15 -0.17 -0.44 -0.22 -0.00 0.00 0.00 178.44 177.46 2dhi h LYS 106 N -0.35 -0.57 -0.67 0.49 3.64 -0.89 0.26 116.57 118.48 2dhi h LYS 106 Ca -0.03 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.51 2dhi h LYS 106 Cb 0.27 0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 32.13 2dhi h LYS 106 CO 0.05 -0.38 0.22 0.74 -2.27 0.00 0.00 179.45 177.81 2dhi h PHE 107 N -0.59 0.36 0.37 1.91 0.04 -1.11 -0.19 116.94 117.72 2dhi h PHE 107 Ca 0.04 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 2dhi h PHE 107 Cb 0.67 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 2dhi h PHE 107 CO -0.44 0.03 -0.29 1.15 -0.60 0.00 0.00 178.31 178.16 2dhi h THR 108 N 0.36 0.40 -0.30 -1.55 2.02 -0.39 -2.37 112.91 111.08 2dhi h THR 108 Ca 0.35 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.59 2dhi h THR 108 Cb 0.52 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.27 2dhi h THR 108 CO -0.39 0.00 -0.04 -0.07 0.37 0.00 0.00 175.52 175.40 2dhi h LEU 109 N -0.66 -0.20 -1.77 2.58 3.38 -0.41 0.72 115.31 118.95 2dhi h LEU 109 Ca -0.03 0.08 0.25 0.00 0.09 0.00 0.00 57.88 58.27 2dhi h LEU 109 Cb 0.57 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 2dhi h LEU 109 CO -0.01 -0.06 0.64 1.56 0.09 0.00 0.00 178.44 180.66 2dhi h GLN 110 N 0.05 0.17 0.01 1.13 1.08 -0.86 -1.32 115.11 115.36 2dhi h GLN 110 Ca 0.15 -0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.29 2dhi h GLN 110 Cb 0.21 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2dhi h GLN 110 CO -0.28 0.11 -0.25 0.22 -0.95 0.00 0.00 178.83 177.69 2dhi h ASP 111 N 0.17 0.04 -0.91 1.46 3.58 -0.55 -3.31 116.42 116.90 2dhi h ASP 111 Ca 0.47 -0.93 0.27 0.00 0.42 0.00 0.00 57.03 57.25 2dhi h ASP 111 Cb 1.55 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 42.55 2dhi h ASP 111 CO -0.09 1.10 0.73 0.77 -2.88 0.00 0.00 179.24 178.87 2dhi h SER 112 N -0.94 0.00 -1.21 2.28 4.64 0.14 0.74 113.55 119.20 2dhi h SER 112 Ca -0.06 0.00 0.35 0.00 -0.47 0.00 0.00 61.79 61.61 2dhi h SER 112 Cb 1.10 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.14 2dhi h SER 112 CO -0.01 0.00 0.92 0.03 -0.87 0.00 0.00 176.83 176.90 2dhi h ARG 113 N 0.00 0.00 -1.98 4.77 3.08 -1.42 -1.30 114.38 117.53 2dhi h ARG 113 Ca 0.43 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.31 2dhi h ARG 113 Cb 1.89 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.87 2dhi h ARG 113 CO -0.00 0.00 -0.19 0.25 -1.07 0.00 0.00 179.97 178.95 2dhi n THR 114 N -4.02 2.78 -4.98 2.04 -2.24 0.25 -4.67 114.28 103.44 2dhi n THR 114 Ca 0.26 -1.41 -0.27 0.00 -2.27 0.00 0.00 64.05 60.37 2dhi n THR 114 Cb 1.32 -1.82 -0.15 0.00 -2.10 0.00 0.00 70.33 67.57 2dhi n THR 114 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2dhi s SER 115 N 1.78 2.40 0.37 3.42 0.01 -0.49 -5.04 113.70 116.14 2dhi s SER 115 Ca 0.49 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.37 2dhi s SER 115 Cb 0.25 -0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.21 2dhi s SER 115 CO -0.02 0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.48 2dhi n GLY 116 N 2.54 -4.50 3.56 3.44 0.00 -1.26 -4.66 105.19 104.30 2dhi n GLY 116 Ca -0.15 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.44 2.56 -0.12 1.61 0.04 -1.26 -4.90 135.00 129.50 2dhi s PRO 117 Ca 0.00 -0.21 -0.05 0.00 0.04 0.00 0.00 61.00 60.78 2dhi s PRO 117 Cb 0.00 -5.00 0.05 0.00 0.04 0.00 0.00 34.50 29.59 2dhi s PRO 117 CO 0.00 -3.32 0.25 -1.12 0.04 0.00 0.00 177.00 172.85 2dhi s SER 118 N 8.05 0.05 0.30 6.66 0.01 -1.26 -5.13 113.70 122.38 2dhi s SER 118 Ca 0.70 0.55 -0.30 0.00 1.31 0.00 0.00 55.95 58.21 2dhi s SER 118 Cb -0.07 0.54 -0.12 0.00 0.21 0.00 0.00 66.02 66.58 2dhi s SER 118 CO 0.01 -0.20 1.57 -1.54 0.41 0.00 0.00 173.24 173.49 2dhi n SER 119 N 4.78 3.81 0.00 2.44 3.41 -1.26 -5.06 113.62 121.74 2dhi n SER 119 Ca -0.16 1.16 0.06 0.00 -0.26 0.00 0.00 58.87 59.67 2dhi n SER 119 Cb 0.51 -1.59 0.33 0.00 -0.26 0.00 0.00 64.21 63.20 2dhi n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49