#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 -0.08 0.40 1.61 0.15 -1.26 -5.15 113.70 109.36 2dhi s SER 2 Ca 0.00 0.23 -0.20 0.00 0.70 0.00 0.00 55.95 56.68 2dhi s SER 2 Cb 0.00 0.16 -0.10 0.00 -1.71 0.00 0.00 66.02 64.36 2dhi s SER 2 CO 0.00 -0.10 0.89 -0.55 1.20 0.00 0.00 173.24 174.68 2dhi s SER 3 N 0.75 6.92 0.00 5.45 0.15 -1.26 -4.43 113.70 121.28 2dhi s SER 3 Ca -0.06 1.59 0.00 0.00 0.70 0.00 0.00 55.95 58.18 2dhi s SER 3 Cb -0.08 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2dhi s SER 3 CO -0.03 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.71 2dhi n GLY 4 N -0.50 2.20 3.07 9.45 0.00 -1.26 -5.06 105.19 113.10 2dhi n GLY 4 Ca 0.06 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 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 1.48 -2.69 -4.89 1.61 7.64 -1.26 -4.95 113.62 110.57 2dhi n SER 5 Ca 0.00 -0.16 -0.29 0.00 1.01 0.00 0.00 58.87 59.43 2dhi n SER 5 Cb 0.00 -0.73 0.01 0.00 -1.01 0.00 0.00 64.21 62.48 2dhi n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dhi s SER 6 N -1.58 6.11 -0.10 6.43 0.15 -1.26 -5.06 113.70 118.40 2dhi s SER 6 Ca 0.39 1.16 -0.14 0.00 0.70 0.00 0.00 55.95 58.07 2dhi s SER 6 Cb -0.03 -2.28 -0.05 0.00 -1.71 0.00 0.00 66.02 61.96 2dhi s SER 6 CO 0.50 -0.83 0.34 -0.83 1.20 0.00 0.00 173.24 173.63 2dhi s GLY 7 N -4.18 2.32 -0.06 9.45 0.00 -1.26 -5.07 107.32 108.51 2dhi s GLY 7 Ca 0.53 -0.36 -0.15 0.00 0.00 0.00 0.00 44.72 44.74 2dhi s GLY 7 CO 0.50 0.34 0.41 -1.36 0.00 0.00 0.00 173.10 172.98 2dhi s PHE 8 N -0.08 3.62 0.14 1.90 0.08 -1.26 -4.49 117.98 117.89 2dhi s PHE 8 Ca 0.20 0.89 -0.30 0.00 0.12 0.00 0.00 56.93 57.84 2dhi s PHE 8 Cb -0.14 -2.37 -0.06 0.00 -0.57 0.00 0.00 43.02 39.88 2dhi s PHE 8 CO 0.08 0.44 1.56 0.28 -0.10 0.00 0.00 175.22 177.48 2dhi h VAL 9 N 4.16 0.04 -3.55 -0.44 2.07 -0.87 -3.43 116.25 114.24 2dhi h VAL 9 Ca -0.47 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 66.87 2dhi h VAL 9 Cb 1.20 0.04 -0.24 0.00 -1.52 0.00 0.00 31.29 30.77 2dhi h VAL 9 CO 0.68 0.00 -0.57 -0.75 0.02 0.00 0.00 177.57 176.94 2dhi s LYS 10 N -5.73 0.26 0.00 1.57 2.20 -1.26 -5.01 119.74 111.77 2dhi s LYS 10 Ca -0.14 -0.12 0.03 0.00 -0.36 0.00 0.00 55.97 55.38 2dhi s LYS 10 Cb 0.10 0.11 -0.01 0.00 -1.51 0.00 0.00 37.83 36.52 2dhi s LYS 10 CO 0.63 -0.05 -0.08 -1.54 -0.36 0.00 0.00 175.35 173.95 2dhi s SER 11 N -0.58 0.98 -0.18 1.43 1.04 -1.26 -2.69 113.70 112.44 2dhi s SER 11 Ca -0.07 -0.21 -0.34 0.00 0.48 0.00 0.00 55.95 55.82 2dhi s SER 11 Cb -0.04 -0.09 0.14 0.00 0.10 0.00 0.00 66.02 66.13 2dhi s SER 11 CO 0.00 0.07 1.17 -0.83 0.98 0.00 0.00 173.24 174.63 2dhi s GLY 12 N -0.39 -0.27 0.16 7.32 0.00 -1.18 -5.05 107.32 107.90 2dhi s GLY 12 Ca 0.02 1.70 -0.30 0.00 0.00 0.00 0.00 44.72 46.14 2dhi s GLY 12 CO -0.00 0.61 1.04 -0.98 0.00 0.00 0.00 173.10 173.78 2dhi s TRP 13 N -2.24 3.69 -0.11 1.90 0.52 -1.26 -2.82 118.94 118.62 2dhi s TRP 13 Ca 0.08 1.68 -0.10 0.00 0.02 0.00 0.00 56.10 57.78 2dhi s TRP 13 Cb -0.01 -3.18 0.03 0.00 -1.15 0.00 0.00 33.47 29.15 2dhi s TRP 13 CO -0.05 -0.27 0.29 -0.51 0.02 0.00 0.00 176.95 176.43 2dhi s LEU 14 N -0.27 0.88 -0.15 2.99 1.43 -0.83 -4.53 118.68 118.20 2dhi s LEU 14 Ca 0.48 0.58 -0.25 0.00 -1.03 0.00 0.00 54.13 53.91 2dhi s LEU 14 Cb -0.27 0.99 -0.02 0.00 0.03 0.00 0.00 46.19 46.92 2dhi s LEU 14 CO 0.33 -0.10 0.83 -0.76 0.23 0.00 0.00 176.35 176.88 2dhi s LEU 15 N 0.18 4.19 -0.12 1.79 1.43 -0.64 -0.91 118.68 124.61 2dhi s LEU 15 Ca -0.00 1.20 -0.00 0.00 -1.03 0.00 0.00 54.13 54.30 2dhi s LEU 15 Cb -0.02 -3.24 -0.02 0.00 0.03 0.00 0.00 46.19 42.94 2dhi s LEU 15 CO 0.00 -0.38 -0.11 -0.60 0.23 0.00 0.00 176.35 175.50 2dhi s ARG 16 N 2.01 3.28 -0.80 1.70 3.52 -0.08 -1.01 118.95 127.56 2dhi s ARG 16 Ca 0.39 -0.65 -0.24 0.00 -0.13 0.00 0.00 55.73 55.11 2dhi s ARG 16 Cb -0.17 -2.65 0.06 0.00 -1.56 0.00 0.00 34.95 30.64 2dhi s ARG 16 CO 0.13 0.31 1.20 -1.14 -0.81 0.00 0.00 175.30 174.99 2dhi s GLN 17 N 0.12 3.31 1.22 5.12 0.74 -0.76 -2.02 119.66 127.40 2dhi s GLN 17 Ca -0.05 -0.83 -0.17 0.00 0.05 0.00 0.00 55.36 54.36 2dhi s GLN 17 Cb -0.15 -4.56 0.29 0.00 1.10 0.00 0.00 33.01 29.70 2dhi s GLN 17 CO 0.04 -2.01 1.03 -1.12 -0.55 0.00 0.00 175.29 172.68 2dhi s SER 18 N 3.98 0.62 -0.08 6.67 0.01 -1.20 -4.68 113.70 119.01 2dhi s SER 18 Ca 0.33 1.06 0.19 0.00 1.31 0.00 0.00 55.95 58.84 2dhi s SER 18 Cb -0.08 -1.60 -0.25 0.00 0.21 0.00 0.00 66.02 64.30 2dhi s SER 18 CO 0.05 -4.36 0.40 0.35 0.41 0.00 0.00 173.24 170.08 2dhi n THR 19 N -4.98 0.93 -0.07 1.44 -2.24 -1.26 -3.65 114.28 104.45 2dhi n THR 19 Ca 0.08 -0.71 -0.06 0.00 -2.27 0.00 0.00 64.05 61.09 2dhi n THR 19 Cb 0.58 -0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.37 2dhi n THR 19 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2dhi h ILE 20 N 0.00 0.14 0.00 2.28 2.04 -1.98 -3.36 117.51 116.63 2dhi h ILE 20 Ca -0.28 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.41 2dhi h ILE 20 Cb 1.70 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 2dhi h ILE 20 CO 0.03 0.05 0.00 0.18 0.00 0.00 0.00 178.15 178.40 2dhi n LEU 21 N -4.61 0.65 -4.24 1.44 4.77 -1.26 -4.87 117.00 108.89 2dhi n LEU 21 Ca -0.10 0.72 -0.35 0.00 -0.03 0.00 0.00 56.01 56.26 2dhi n LEU 21 Cb 0.29 -0.71 -0.07 0.00 -2.33 0.00 0.00 43.42 40.61 2dhi n LEU 21 CO 0.11 -0.77 -0.39 0.29 -1.33 0.00 0.00 177.39 175.30 2dhi n LYS 22 N -2.29 -0.73 -3.62 3.23 4.76 -1.24 -4.90 118.16 113.37 2dhi n LYS 22 Ca 0.00 0.08 -0.06 0.00 -2.87 0.00 0.00 58.31 55.45 2dhi n LYS 22 Cb 0.14 -3.20 -0.02 0.00 -1.84 0.00 0.00 35.03 30.11 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 -7.37 1.06 -0.35 1.97 1.70 -1.26 -5.00 118.95 109.71 2dhi s ARG 23 Ca 0.14 -0.50 -0.29 0.00 -0.47 0.00 0.00 55.73 54.61 2dhi s ARG 23 Cb -0.08 0.42 0.01 0.00 -0.57 0.00 0.00 34.95 34.73 2dhi s ARG 23 CO 0.98 -0.48 1.26 -1.58 -1.08 0.00 0.00 175.30 174.40 2dhi s TRP 24 N -3.28 2.73 -0.09 5.89 0.52 -1.26 -3.24 118.94 120.21 2dhi s TRP 24 Ca 0.08 0.86 0.03 0.00 0.02 0.00 0.00 56.10 57.09 2dhi s TRP 24 Cb -0.01 -4.02 -0.01 0.00 -1.15 0.00 0.00 33.47 28.27 2dhi s TRP 24 CO -0.04 -1.55 -0.18 -1.59 0.02 0.00 0.00 176.95 173.62 2dhi s LYS 25 N 4.26 2.94 0.18 4.98 -2.85 -0.86 -4.87 119.74 123.53 2dhi s LYS 25 Ca 0.54 -0.77 -0.31 0.00 -1.00 0.00 0.00 55.97 54.42 2dhi s LYS 25 Cb -0.14 -2.41 -0.10 0.00 -2.06 0.00 0.00 37.83 33.11 2dhi s LYS 25 CO 0.25 0.34 1.58 0.21 0.10 0.00 0.00 175.35 177.83 2dhi s LYS 26 N -0.01 4.20 0.30 1.78 2.20 -1.26 -0.90 119.74 126.05 2dhi s LYS 26 Ca -0.06 2.40 0.04 0.00 -0.36 0.00 0.00 55.97 57.99 2dhi s LYS 26 Cb -0.15 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 33.00 2dhi s LYS 26 CO 0.05 -0.62 0.19 -0.80 -0.36 0.00 0.00 175.35 173.81 2dhi s ASN 27 N 1.07 1.36 -0.25 1.43 -0.87 -0.09 -4.85 114.94 112.73 2dhi s ASN 27 Ca 0.70 -1.59 0.01 0.00 -1.57 0.00 0.00 52.86 50.41 2dhi s ASN 27 Cb -0.45 0.44 0.04 0.00 -0.02 0.00 0.00 41.25 41.27 2dhi s ASN 27 CO 0.33 -0.93 -0.09 0.86 -2.57 0.00 0.00 177.10 174.70 2dhi s TRP 28 N -3.65 3.16 0.07 2.20 -0.00 -0.80 -1.96 118.94 117.95 2dhi s TRP 28 Ca 0.37 -1.97 -0.02 0.00 -0.00 0.00 0.00 56.10 54.48 2dhi s TRP 28 Cb 0.04 -1.99 -0.04 0.00 -0.00 0.00 0.00 33.47 31.48 2dhi s TRP 28 CO 0.19 -0.82 0.25 -0.06 -0.00 0.00 0.00 176.95 176.51 2dhi s PHE 29 N 1.21 3.52 -0.26 5.86 0.40 -1.13 0.16 117.98 127.74 2dhi s PHE 29 Ca -0.04 0.37 -0.05 0.00 -0.60 0.00 0.00 56.93 56.61 2dhi s PHE 29 Cb -0.18 -1.85 0.14 0.00 0.51 0.00 0.00 43.02 41.63 2dhi s PHE 29 CO -0.05 0.56 0.49 -0.51 0.70 0.00 0.00 175.22 176.42 2dhi s ASP 30 N -2.33 -0.56 0.25 1.36 1.01 -0.74 -3.11 116.67 112.54 2dhi s ASP 30 Ca 0.35 0.82 -0.16 0.00 0.71 0.00 0.00 52.55 54.27 2dhi s ASP 30 Cb -0.13 1.66 -0.08 0.00 1.01 0.00 0.00 42.92 45.38 2dhi s ASP 30 CO 0.25 -0.26 0.69 -0.22 0.21 0.00 0.00 175.17 175.84 2dhi s LEU 31 N 2.71 4.23 0.45 1.23 2.96 -1.09 -1.78 118.68 127.37 2dhi s LEU 31 Ca 0.08 1.28 0.08 0.00 -0.22 0.00 0.00 54.13 55.35 2dhi s LEU 31 Cb -0.14 -3.73 0.02 0.00 0.50 0.00 0.00 46.19 42.85 2dhi s LEU 31 CO -0.17 -0.05 0.60 0.26 -1.32 0.00 0.00 176.35 175.67 2dhi s TRP 32 N -1.71 2.56 0.29 5.38 0.52 0.11 -0.25 118.94 125.84 2dhi s TRP 32 Ca 0.47 -0.46 0.11 0.00 0.02 0.00 0.00 56.10 56.24 2dhi s TRP 32 Cb -0.14 -2.34 0.45 0.00 -1.15 0.00 0.00 33.47 30.29 2dhi s TRP 32 CO 0.19 -0.53 1.66 1.03 0.02 0.00 0.00 176.95 179.32 2dhi h SER 33 N 0.58 0.00 -0.12 2.95 0.87 -1.85 -2.57 113.55 113.40 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 0.45 0.55 0.00 0.47 -0.53 0.00 0.00 176.83 177.77 2dhi n ASP 34 N -3.84 0.77 0.00 6.23 9.92 -1.26 -4.42 116.55 123.94 2dhi n ASP 34 Ca -0.01 -1.85 0.00 0.00 -0.53 0.00 0.00 54.79 52.40 2dhi n ASP 34 Cb 0.57 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 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 0.80 2.65 3.55 0.44 0.00 -0.97 -4.28 105.19 107.39 2dhi n GLY 35 Ca 0.08 -0.26 -0.50 0.00 0.00 0.00 0.00 46.02 45.34 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 1.03 -4.96 1.61 8.25 -1.26 -4.22 115.22 115.68 2dhi n HIS 36 Ca 0.00 0.76 -0.33 0.00 -0.26 0.00 0.00 57.72 57.89 2dhi n HIS 36 Cb 0.00 -2.22 -0.16 0.00 1.12 0.00 0.00 29.99 28.73 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 0.80 2.40 -0.03 2.41 2.96 -0.48 0.08 118.68 126.81 2dhi s LEU 37 Ca 0.75 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 54.22 2dhi s LEU 37 Cb -0.92 -1.51 0.02 0.00 0.50 0.00 0.00 46.19 44.27 2dhi s LEU 37 CO 0.53 0.15 -0.04 -0.63 -1.32 0.00 0.00 176.35 175.04 2dhi s ILE 38 N 0.39 0.46 0.28 6.68 1.01 -0.73 -0.95 121.20 128.34 2dhi s ILE 38 Ca -0.14 -0.13 0.12 0.00 0.00 0.00 0.00 60.65 60.50 2dhi s ILE 38 Cb -0.17 -0.47 -0.05 0.00 0.01 0.00 0.00 42.46 41.78 2dhi s ILE 38 CO 0.07 0.19 -0.20 -0.72 0.00 0.00 0.00 174.94 174.28 2dhi s TYR 39 N 0.64 2.30 0.42 3.97 1.13 -1.17 -1.79 117.35 122.85 2dhi s TYR 39 Ca -0.08 -0.33 0.03 0.00 -1.41 0.00 0.00 57.07 55.29 2dhi s TYR 39 Cb -0.11 -0.99 -0.04 0.00 -1.10 0.00 0.00 41.96 39.72 2dhi s TYR 39 CO -0.00 0.72 0.06 0.71 -2.51 0.00 0.00 175.55 174.53 2dhi s TYR 40 N -2.50 1.94 0.18 -3.49 2.02 0.12 -2.39 117.35 113.23 2dhi s TYR 40 Ca 0.30 -1.04 0.13 0.00 -0.37 0.00 0.00 57.07 56.10 2dhi s TYR 40 Cb -0.05 -1.40 0.37 0.00 -0.40 0.00 0.00 41.96 40.48 2dhi s TYR 40 CO 0.15 0.02 1.60 0.22 -1.57 0.00 0.00 175.55 175.97 2dhi h ASP 41 N 1.73 0.00 -2.01 2.29 1.82 -1.87 -2.13 116.42 116.25 2dhi h ASP 41 Ca -0.40 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.24 2dhi h ASP 41 Cb 1.27 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.29 2dhi h ASP 41 CO 0.68 0.57 0.19 0.47 -1.61 0.00 0.00 179.24 179.54 2dhi n ASP 42 N -3.59 -1.22 -2.04 2.28 8.00 -1.26 -4.58 116.55 114.14 2dhi n ASP 42 Ca -0.00 -1.81 -0.08 0.00 0.71 0.00 0.00 54.79 53.61 2dhi n ASP 42 Cb 0.63 2.02 -0.12 0.00 -0.02 0.00 0.00 41.12 43.63 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 -0.32 1.48 -0.01 -1.24 0.00 -1.26 -3.42 117.38 112.61 2dhi n GLN 43 Ca -0.04 -0.69 -0.00 0.00 0.00 0.00 0.00 57.00 56.27 2dhi n GLN 43 Cb 0.33 -1.80 -0.01 0.00 0.00 0.00 0.00 30.24 28.76 2dhi n GLN 43 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2dhi n THR 44 N 2.48 0.07 -3.32 -0.39 -2.24 -1.26 -5.02 114.28 104.61 2dhi n THR 44 Ca 0.30 -0.06 -0.24 0.00 -2.27 0.00 0.00 64.05 61.78 2dhi n THR 44 Cb 0.68 -0.55 0.03 0.00 -2.10 0.00 0.00 70.33 68.39 2dhi n THR 44 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dhi n ARG 45 N -1.91 -4.88 0.00 -0.78 1.74 -1.22 -4.83 116.66 104.78 2dhi n ARG 45 Ca -0.02 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.79 2dhi n ARG 45 Cb 0.40 -5.57 0.00 0.00 -1.02 0.00 0.00 32.46 26.27 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 -4.15 3.89 -3.04 5.56 10.64 -1.26 -4.83 117.38 124.20 2dhi n GLN 46 Ca -0.05 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.73 2dhi n GLN 46 Cb 0.58 -0.99 -0.01 0.00 -0.86 0.00 0.00 30.24 28.96 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 -1.97 5.96 -4.52 2.61 2.88 -1.26 -5.00 113.62 112.33 2dhi n SER 47 Ca 0.00 -3.47 -0.25 0.00 -1.33 0.00 0.00 58.87 53.82 2dhi n SER 47 Cb 0.49 -1.11 -0.16 0.00 -0.75 0.00 0.00 64.21 62.67 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 0.98 -0.01 0.11 2.46 5.41 -1.26 -3.42 119.36 123.63 2dhi n ILE 48 Ca 0.30 -0.43 -0.16 0.00 1.00 0.00 0.00 62.75 63.46 2dhi n ILE 48 Cb 0.34 -0.78 -0.09 0.00 -0.71 0.00 0.00 39.64 38.40 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 12.32 -0.70 -2.52 0.38 4.39 -1.78 -3.47 114.58 123.20 2dhi h GLU 49 Ca -0.01 0.05 0.15 0.00 0.34 0.00 0.00 59.36 59.89 2dhi h GLU 49 Cb 1.15 0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.92 2dhi h GLU 49 CO 1.41 -0.47 0.53 0.34 -1.16 0.00 0.00 179.01 179.66 2dhi s ASP 50 N -4.67 -0.04 -0.04 1.42 2.15 -1.22 -5.06 116.67 109.20 2dhi s ASP 50 Ca -0.16 -0.65 -0.01 0.00 0.43 0.00 0.00 52.55 52.15 2dhi s ASP 50 Cb 0.06 0.53 0.03 0.00 -0.30 0.00 0.00 42.92 43.25 2dhi s ASP 50 CO 0.62 -1.03 0.09 -0.75 -0.17 0.00 0.00 175.17 173.92 2dhi s LYS 51 N -2.47 0.02 -0.04 4.34 2.20 -1.26 -3.03 119.74 119.50 2dhi s LYS 51 Ca 0.19 0.28 -0.03 0.00 -0.36 0.00 0.00 55.97 56.04 2dhi s LYS 51 Cb -0.02 -0.21 0.01 0.00 -1.51 0.00 0.00 37.83 36.10 2dhi s LYS 51 CO 0.05 -0.17 0.10 0.08 -0.36 0.00 0.00 175.35 175.05 2dhi s VAL 52 N 1.11 -0.01 0.64 4.02 1.01 -0.12 -5.03 120.40 122.02 2dhi s VAL 52 Ca -0.09 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 2dhi s VAL 52 Cb -0.12 -0.15 0.03 0.00 0.00 0.00 0.00 36.38 36.13 2dhi s VAL 52 CO -0.04 0.01 0.95 -2.28 0.00 0.00 0.00 175.10 173.74 2dhi s HIS 53 N 0.25 3.11 -0.00 5.22 2.46 -1.26 -1.38 115.29 123.68 2dhi s HIS 53 Ca -0.02 0.56 -0.00 0.00 0.47 0.00 0.00 55.06 56.07 2dhi s HIS 53 Cb -0.03 -2.93 -0.00 0.00 -0.13 0.00 0.00 32.58 29.49 2dhi s HIS 53 CO -0.01 -1.07 -0.00 -1.33 -2.47 0.00 0.00 174.74 169.86 2dhi n MET 54 N -2.72 0.00 0.00 2.88 2.81 -1.26 -2.64 117.12 116.19 2dhi n MET 54 Ca 0.06 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 0.39 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 -2.50 0.49 0.00 0.03 -0.04 -1.26 -0.23 135.00 131.49 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 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 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 -0.91 0.00 -0.03 0.52 0.31 -1.26 -4.86 118.33 112.09 2dhi n VAL 56 Ca 0.10 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.21 2dhi n VAL 56 Cb 0.04 -1.27 -0.13 0.00 -0.91 0.00 0.00 33.84 31.57 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 -3.41 4.52 3.58 -1.56 -3.46 116.42 116.35 2dhi h ASP 57 Ca 0.00 -0.77 -0.55 0.00 0.42 0.00 0.00 57.03 56.13 2dhi h ASP 57 Cb 0.95 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.88 2dhi h ASP 57 CO 0.00 1.63 0.10 0.00 -2.88 0.00 0.00 179.24 178.10 2dhi n ILE 59 N 1.91 0.01 -4.02 0.00 -5.35 0.71 -4.29 119.36 108.34 2dhi n ILE 59 Ca -0.06 -0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.30 2dhi n ILE 59 Cb 0.50 -0.93 -0.11 0.00 -1.74 0.00 0.00 39.64 37.35 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 -2.97 0.52 -0.06 7.28 2.47 -1.19 -5.04 114.94 115.96 2dhi s ASN 60 Ca -0.00 -0.48 0.05 0.00 0.42 0.00 0.00 52.86 52.85 2dhi s ASN 60 Cb 0.00 0.06 -0.01 0.00 -1.45 0.00 0.00 41.25 39.86 2dhi s ASN 60 CO 0.00 -0.23 -0.21 -0.63 -3.72 0.00 0.00 177.10 172.31 2dhi s ILE 61 N -1.31 1.75 0.06 -5.21 1.01 -1.26 -1.12 121.20 115.13 2dhi s ILE 61 Ca -0.12 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.68 2dhi s ILE 61 Cb -0.09 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 2dhi s ILE 61 CO -0.00 0.49 -0.12 -0.13 0.00 0.00 0.00 174.94 175.18 2dhi s ARG 62 N 0.01 0.75 -0.02 2.79 0.52 -1.13 -5.02 118.95 116.84 2dhi s ARG 62 Ca -0.06 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.29 2dhi s ARG 62 Cb -0.13 -0.70 0.02 0.00 0.52 0.00 0.00 34.95 34.66 2dhi s ARG 62 CO 0.04 0.15 0.00 0.95 0.02 0.00 0.00 175.30 176.46 2dhi s THR 63 N -1.23 0.10 0.00 0.02 -4.23 -1.26 -0.94 115.64 108.09 2dhi s THR 63 Ca -0.04 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.55 2dhi s THR 63 Cb -0.10 -0.17 0.00 0.00 1.34 0.00 0.00 72.50 73.57 2dhi s THR 63 CO 0.02 0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 2dhi n GLY 64 N 3.83 2.33 0.22 3.99 0.00 -0.76 -3.03 105.19 111.78 2dhi n GLY 64 Ca -0.23 -0.40 -0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 0.03 -1.00 1.61 3.86 -1.93 -0.43 115.15 117.29 2dhi h HIS 65 Ca 0.00 0.04 0.38 0.00 -1.16 0.00 0.00 60.37 59.63 2dhi h HIS 65 Cb 0.00 0.08 -0.17 0.00 1.06 0.00 0.00 27.41 28.37 2dhi h HIS 65 CO 0.00 -0.11 0.47 0.93 0.86 0.00 0.00 177.93 180.08 2dhi h GLU 66 N 0.15 0.06 -6.91 2.45 4.39 -1.93 -3.40 114.58 109.38 2dhi h GLU 66 Ca 0.30 -0.00 -0.44 0.00 0.34 0.00 0.00 59.36 59.55 2dhi h GLU 66 Cb 0.47 -0.01 0.23 0.00 -0.10 0.00 0.00 28.75 29.33 2dhi h GLU 66 CO -0.46 0.04 -0.51 0.00 -1.16 0.00 0.00 179.01 176.92 2dhi n ARG 68 N -3.68 -1.14 -0.54 0.00 1.74 -1.26 -4.70 116.66 107.07 2dhi n ARG 68 Ca 0.02 -0.39 -0.01 0.00 -0.77 0.00 0.00 57.85 56.69 2dhi n ARG 68 Cb 0.58 -0.70 -0.02 0.00 -1.02 0.00 0.00 32.46 31.30 2dhi n ARG 68 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2dhi n ASP 69 N -1.98 5.16 -3.00 0.55 2.03 -1.26 -4.86 116.55 113.18 2dhi n ASP 69 Ca 0.04 -2.37 -0.13 0.00 0.52 0.00 0.00 54.79 52.85 2dhi n ASP 69 Cb 0.16 -1.13 0.08 0.00 -0.72 0.00 0.00 41.12 39.52 2dhi n ASP 69 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2dhi n ILE 70 N 1.64 0.00 -3.87 5.18 -5.35 -1.26 -5.12 119.36 110.58 2dhi n ILE 70 Ca 0.05 -0.56 -0.11 0.00 -0.27 0.00 0.00 62.75 61.85 2dhi n ILE 70 Cb 0.53 -1.55 -0.12 0.00 -1.74 0.00 0.00 39.64 36.77 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 -4.11 0.24 0.65 6.28 0.00 -1.26 -5.11 119.66 116.36 2dhi s GLN 71 Ca 0.34 -0.11 -0.15 0.00 -0.00 0.00 0.00 55.36 55.43 2dhi s GLN 71 Cb -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 33.01 33.10 2dhi s GLN 71 CO 0.23 -0.05 1.11 -1.25 0.00 0.00 0.00 175.29 175.34 2dhi s PRO 72 N -0.55 2.85 0.63 9.60 0.04 -1.26 -5.05 135.00 141.25 2dhi s PRO 72 Ca -0.06 1.40 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 2dhi s PRO 72 Cb -0.04 -1.96 0.16 0.00 0.04 0.00 0.00 34.50 32.70 2dhi s PRO 72 CO 0.00 -1.21 0.56 -0.35 0.04 0.00 0.00 177.00 176.04 2dhi n PRO 73 N -2.33 -2.11 -2.58 0.56 -0.04 -1.26 -4.98 135.00 122.26 2dhi n PRO 73 Ca 0.10 -0.89 -0.40 0.00 -0.04 0.00 0.00 63.50 62.27 2dhi n PRO 73 Cb 0.52 -0.83 -0.05 0.00 -0.04 0.00 0.00 33.50 33.09 2dhi n PRO 73 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2dhi s ASP 74 N -3.01 7.41 -1.26 3.54 -1.08 -1.26 -3.61 116.67 117.40 2dhi s ASP 74 Ca 0.36 2.15 -0.08 0.00 -0.52 0.00 0.00 52.55 54.46 2dhi s ASP 74 Cb -0.04 -2.62 0.01 0.00 -1.46 0.00 0.00 42.92 38.81 2dhi s ASP 74 CO 0.28 -0.03 1.10 0.61 0.52 0.00 0.00 175.17 177.65 2dhi n GLY 75 N 1.29 -0.44 3.39 2.66 0.00 -1.26 -5.01 105.19 105.82 2dhi n GLY 75 Ca -0.01 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -6.14 0.55 0.21 1.61 -0.14 -1.24 -5.15 119.74 109.45 2dhi s LYS 76 Ca 0.50 0.74 -0.03 0.00 -1.36 0.00 0.00 55.97 55.81 2dhi s LYS 76 Cb -0.22 0.22 0.05 0.00 -1.68 0.00 0.00 37.83 36.20 2dhi s LYS 76 CO 0.69 -0.09 0.18 -0.35 -0.76 0.00 0.00 175.35 175.02 2dhi n PRO 77 N 3.15 -1.38 -0.09 -1.68 -0.04 -1.26 -4.60 135.00 129.10 2dhi n PRO 77 Ca -0.15 -0.29 -0.11 0.00 -0.04 0.00 0.00 63.50 62.90 2dhi n PRO 77 Cb 0.56 -0.28 -0.11 0.00 -0.04 0.00 0.00 33.50 33.63 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 -2.07 0.97 0.08 0.54 0.63 -1.26 -4.34 116.66 111.20 2dhi n ARG 78 Ca 0.03 0.05 0.07 0.00 -0.92 0.00 0.00 57.85 57.08 2dhi n ARG 78 Cb 0.10 -1.42 0.35 0.00 0.45 0.00 0.00 32.46 31.94 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 -2.83 0.32 -0.94 6.15 8.00 -1.26 -1.03 116.55 124.95 2dhi n ASP 79 Ca -0.31 0.61 0.08 0.00 0.71 0.00 0.00 54.79 55.88 2dhi n ASP 79 Cb 0.97 -0.67 0.22 0.00 -0.02 0.00 0.00 41.12 41.62 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 -1.03 4.50 -0.07 0.00 1.43 -0.20 -0.74 118.68 122.59 2dhi s LEU 81 Ca 0.34 1.25 0.01 0.00 -1.03 0.00 0.00 54.13 54.70 2dhi s LEU 81 Cb 0.18 -2.92 0.02 0.00 0.03 0.00 0.00 46.19 43.50 2dhi s LEU 81 CO 0.22 0.23 -0.09 -0.22 0.23 0.00 0.00 176.35 176.72 2dhi s LEU 82 N -0.88 1.46 0.16 1.79 2.96 0.59 -1.83 118.68 122.93 2dhi s LEU 82 Ca 0.30 -0.25 0.10 0.00 -0.22 0.00 0.00 54.13 54.05 2dhi s LEU 82 Cb -0.19 -0.72 -0.04 0.00 0.50 0.00 0.00 46.19 45.73 2dhi s LEU 82 CO 0.19 -0.02 -0.22 -1.58 -1.32 0.00 0.00 176.35 173.40 2dhi s GLN 83 N 0.94 1.34 -0.15 1.98 0.74 -0.12 0.67 119.66 125.06 2dhi s GLN 83 Ca -0.10 -1.39 -0.02 0.00 0.05 0.00 0.00 55.36 53.90 2dhi s GLN 83 Cb -0.15 -1.58 0.05 0.00 1.10 0.00 0.00 33.01 32.43 2dhi s GLN 83 CO 0.01 0.34 0.01 0.42 -0.55 0.00 0.00 175.29 175.51 2dhi s ILE 84 N -1.64 0.61 -0.47 -2.34 -1.09 -1.02 -2.84 121.20 112.41 2dhi s ILE 84 Ca 0.15 -0.37 -0.27 0.00 -2.23 0.00 0.00 60.65 57.94 2dhi s ILE 84 Cb -0.08 -0.94 0.03 0.00 -1.58 0.00 0.00 42.46 39.89 2dhi s ILE 84 CO 0.07 0.01 1.01 -0.69 -1.23 0.00 0.00 174.94 174.11 2dhi s VAL 85 N 1.84 4.36 0.69 2.92 1.01 -0.27 -2.47 120.40 128.48 2dhi s VAL 85 Ca 0.01 0.95 -0.09 0.00 0.00 0.00 0.00 61.98 62.84 2dhi s VAL 85 Cb -0.15 -4.51 0.15 0.00 0.00 0.00 0.00 36.38 31.88 2dhi s VAL 85 CO -0.07 -0.91 0.94 0.00 0.00 0.00 0.00 175.10 175.06 2dhi h ARG 87 N 0.00 0.54 -2.22 0.00 3.08 -1.27 -3.34 114.38 111.17 2dhi h ARG 87 Ca -0.31 -0.89 -0.54 0.00 0.07 0.00 0.00 59.98 58.32 2dhi h ARG 87 Cb 0.91 0.33 -0.14 0.00 0.08 0.00 0.00 29.97 31.14 2dhi h ARG 87 CO 0.24 1.42 1.03 -3.47 -1.07 0.00 0.00 179.97 178.12 2dhi n ASP 88 N -3.71 6.88 -1.91 7.04 2.03 -1.26 -4.75 116.55 120.86 2dhi n ASP 88 Ca -0.16 -3.08 0.00 0.00 0.52 0.00 0.00 54.79 52.07 2dhi n ASP 88 Cb 1.09 -1.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.18 2dhi n ASP 88 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dhi n GLY 89 N 1.41 -0.32 3.41 0.27 0.00 -1.25 -4.80 105.19 103.91 2dhi n GLY 89 Ca 0.53 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.77 3.33 -0.13 1.61 2.20 -1.26 -4.93 119.74 116.79 2dhi s LYS 90 Ca 0.00 -1.56 -0.23 0.00 -0.36 0.00 0.00 55.97 53.83 2dhi s LYS 90 Cb 0.00 -4.51 -0.03 0.00 -1.51 0.00 0.00 37.83 31.78 2dhi s LYS 90 CO 0.00 -1.63 0.69 0.99 -0.36 0.00 0.00 175.35 175.04 2dhi s THR 91 N 2.55 5.01 -0.27 3.43 2.01 -1.26 -2.68 115.64 124.43 2dhi s THR 91 Ca 0.21 1.38 -0.08 0.00 0.31 0.00 0.00 61.69 63.51 2dhi s THR 91 Cb -0.14 -4.02 -0.02 0.00 0.01 0.00 0.00 72.50 68.32 2dhi s THR 91 CO -0.01 0.17 0.10 -0.63 -0.69 0.00 0.00 174.62 173.56 2dhi s ILE 92 N 1.39 4.43 -0.26 1.82 1.01 -1.03 -4.96 121.20 123.59 2dhi s ILE 92 Ca 0.34 -0.22 -0.21 0.00 0.00 0.00 0.00 60.65 60.56 2dhi s ILE 92 Cb -0.17 -3.12 -0.01 0.00 0.01 0.00 0.00 42.46 39.17 2dhi s ILE 92 CO 0.14 0.27 0.69 -0.44 0.00 0.00 0.00 174.94 175.60 2dhi s SER 93 N 1.62 6.63 0.18 3.58 0.01 -1.26 -2.43 113.70 122.03 2dhi s SER 93 Ca 0.06 0.73 0.10 0.00 1.31 0.00 0.00 55.95 58.15 2dhi s SER 93 Cb -0.16 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 2dhi s SER 93 CO 0.05 -0.44 -0.20 -0.76 0.41 0.00 0.00 173.24 172.30 2dhi s LEU 94 N 2.64 2.46 -0.01 2.44 1.43 0.21 -1.83 118.68 126.01 2dhi s LEU 94 Ca 0.28 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 2dhi s LEU 94 Cb -0.15 -0.93 0.01 0.00 0.03 0.00 0.00 46.19 45.15 2dhi s LEU 94 CO 0.09 0.01 0.00 0.00 0.23 0.00 0.00 176.35 176.68 2dhi s ALA 96 N 0.53 3.80 0.09 0.00 0.00 0.08 -1.62 121.76 124.64 2dhi s ALA 96 Ca -0.05 -1.08 -0.24 0.00 0.00 0.00 0.00 51.96 50.59 2dhi s ALA 96 Cb -0.07 -1.61 -0.15 0.00 0.00 0.00 0.00 23.12 21.29 2dhi s ALA 96 CO -0.01 0.57 1.73 1.49 0.00 0.00 0.00 175.76 179.53 2dhi h GLU 97 N 2.40 -0.09 -4.35 0.00 4.81 -1.87 -3.45 114.58 112.03 2dhi h GLU 97 Ca -0.48 0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 58.53 2dhi h GLU 97 Cb 1.19 0.02 -0.20 0.00 0.63 0.00 0.00 28.75 30.39 2dhi h GLU 97 CO 0.67 -0.06 -0.72 0.45 -0.73 0.00 0.00 179.01 178.62 2dhi s SER 98 N -5.11 0.64 0.39 1.04 0.15 -1.26 -4.93 113.70 104.62 2dhi s SER 98 Ca -0.14 -0.58 0.27 0.00 0.70 0.00 0.00 55.95 56.20 2dhi s SER 98 Cb 0.06 0.07 1.36 0.00 -1.71 0.00 0.00 66.02 65.80 2dhi s SER 98 CO 0.66 -0.27 1.48 0.41 1.20 0.00 0.00 173.24 176.72 2dhi n THR 99 N 1.37 -0.30 -0.00 6.45 -1.04 -1.26 0.87 114.28 120.37 2dhi n THR 99 Ca -0.22 1.78 -0.09 0.00 -2.04 0.00 0.00 64.05 63.47 2dhi n THR 99 Cb 0.55 -2.91 -0.03 0.00 -1.82 0.00 0.00 70.33 66.12 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 -0.31 0.12 8.00 3.32 -1.96 -0.48 116.42 125.10 2dhi h ASP 100 Ca 0.82 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.95 2dhi h ASP 100 Cb 2.48 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 42.17 2dhi h ASP 100 CO -0.54 -0.13 -0.16 -0.78 -1.72 0.00 0.00 179.24 175.90 2dhi h ASP 101 N -0.11 -0.44 -0.16 6.45 1.82 0.08 -0.57 116.42 123.49 2dhi h ASP 101 Ca 0.08 0.05 0.05 0.00 -0.39 0.00 0.00 57.03 56.82 2dhi h ASP 101 Cb 0.23 0.16 -0.06 0.00 0.68 0.00 0.00 39.33 40.34 2dhi h ASP 101 CO -0.19 -0.24 -0.26 0.00 -1.61 0.00 0.00 179.24 176.95 2dhi h LEU 103 N -0.31 -0.29 -0.75 0.00 3.38 -0.90 0.94 115.31 117.38 2dhi h LEU 103 Ca 0.11 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.26 2dhi h LEU 103 Cb 0.47 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.31 2dhi h LEU 103 CO -0.34 -0.11 0.37 0.00 0.09 0.00 0.00 178.44 178.45 2dhi h ALA 104 N 1.13 1.05 -0.03 1.53 0.00 -0.54 -0.37 119.26 122.04 2dhi h ALA 104 Ca 0.11 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2dhi h ALA 104 Cb 0.22 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2dhi h ALA 104 CO -0.24 -0.06 -0.00 -1.49 0.00 0.00 0.00 179.25 177.46 2dhi h TRP 105 N 0.61 0.06 -0.00 0.00 -0.00 -0.31 -2.11 115.95 114.19 2dhi h TRP 105 Ca 0.38 -0.01 0.03 0.00 -0.00 0.00 0.00 58.89 59.29 2dhi h TRP 105 Cb 0.44 -0.02 -0.05 0.00 -0.00 0.00 0.00 29.16 29.53 2dhi h TRP 105 CO -0.11 0.35 -0.28 -0.22 -0.00 0.00 0.00 178.44 178.18 2dhi h LYS 106 N -0.25 -0.41 -0.56 0.49 3.64 -0.30 0.19 116.57 119.37 2dhi h LYS 106 Ca 0.01 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.50 2dhi h LYS 106 Cb 0.33 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.17 2dhi h LYS 106 CO 0.00 -0.27 0.21 0.74 -2.27 0.00 0.00 179.45 177.86 2dhi h PHE 107 N -0.43 0.36 -0.23 1.91 0.04 -1.11 0.23 116.94 117.73 2dhi h PHE 107 Ca 0.06 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.86 2dhi h PHE 107 Cb 0.51 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 2dhi h PHE 107 CO -0.31 0.10 0.13 1.15 -0.60 0.00 0.00 178.31 178.78 2dhi h THR 108 N 0.39 1.10 -0.54 -1.55 2.02 -0.75 -1.75 112.91 111.84 2dhi h THR 108 Ca 0.28 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 2dhi h THR 108 Cb 0.32 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 2dhi h THR 108 CO -0.28 0.10 0.24 -0.07 0.37 0.00 0.00 175.52 175.88 2dhi h LEU 109 N 0.27 0.72 -1.44 2.58 3.38 -0.02 -0.23 115.31 120.57 2dhi h LEU 109 Ca 0.08 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.93 2dhi h LEU 109 Cb 0.04 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2dhi h LEU 109 CO -0.01 0.67 0.41 1.56 0.09 0.00 0.00 178.44 181.16 2dhi h GLN 110 N 0.72 0.72 0.08 1.13 4.20 -0.36 -2.92 115.11 118.68 2dhi h GLN 110 Ca 0.18 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 2dhi h GLN 110 Cb 0.16 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2dhi h GLN 110 CO -0.02 0.48 -0.04 0.22 -0.67 0.00 0.00 178.83 178.80 2dhi h ASP 111 N 0.74 -0.09 -1.78 1.46 1.82 -0.87 -3.24 116.42 114.46 2dhi h ASP 111 Ca 0.25 -0.51 0.53 0.00 -0.39 0.00 0.00 57.03 56.90 2dhi h ASP 111 Cb 0.06 0.02 -0.09 0.00 0.68 0.00 0.00 39.33 40.01 2dhi h ASP 111 CO -0.07 0.57 1.26 0.77 -1.61 0.00 0.00 179.24 180.17 2dhi h SER 112 N -0.87 0.05 -0.32 2.28 4.64 -0.87 0.15 113.55 118.62 2dhi h SER 112 Ca -0.01 0.03 0.06 0.00 -0.47 0.00 0.00 61.79 61.40 2dhi h SER 112 Cb 0.60 0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 62.64 2dhi h SER 112 CO 0.02 -0.05 -0.42 0.03 -0.87 0.00 0.00 176.83 175.53 2dhi h ARG 113 N 0.01 -0.36 0.08 4.77 3.08 -1.55 -2.70 114.38 117.71 2dhi h ARG 113 Ca 0.89 0.02 -0.28 0.00 0.07 0.00 0.00 59.98 60.68 2dhi h ARG 113 Cb 3.43 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 33.54 2dhi h ARG 113 CO -0.11 -0.24 -1.44 0.00 -1.07 0.00 0.00 179.97 177.11 2dhi h THR 114 N -0.38 1.23 -3.59 2.04 1.03 -0.96 -3.44 112.91 108.84 2dhi h THR 114 Ca 0.12 -2.91 -0.67 0.00 -0.01 0.00 0.00 66.41 62.94 2dhi h THR 114 Cb 0.59 2.73 -0.17 0.00 -1.07 0.00 0.00 68.15 70.24 2dhi h THR 114 CO -0.52 0.80 -0.14 -0.44 -0.01 0.00 0.00 175.52 175.22 2dhi s SER 115 N -6.81 6.24 0.00 0.00 0.01 -0.46 -4.82 113.70 107.87 2dhi s SER 115 Ca -0.06 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.85 2dhi s SER 115 Cb 0.08 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 64.06 2dhi s SER 115 CO 0.84 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 174.58 2dhi n GLY 116 N 4.98 -1.22 3.77 3.44 0.00 -1.25 -4.18 105.19 110.72 2dhi n GLY 116 Ca -0.06 0.62 -0.37 0.00 0.00 0.00 0.00 46.02 46.21 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 0.40 3.72 -0.18 1.61 0.04 -1.26 -4.46 135.00 134.86 2dhi s PRO 117 Ca 0.00 1.75 -0.02 0.00 0.04 0.00 0.00 61.00 62.77 2dhi s PRO 117 Cb 0.00 -2.36 0.05 0.00 0.04 0.00 0.00 34.50 32.23 2dhi s PRO 117 CO 0.00 -0.58 0.00 -1.54 0.04 0.00 0.00 177.00 174.92 2dhi s SER 118 N -1.41 2.92 -0.15 6.66 1.04 -1.26 -5.12 113.70 116.38 2dhi s SER 118 Ca 0.65 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 56.29 2dhi s SER 118 Cb -0.28 -0.72 -0.01 0.00 0.10 0.00 0.00 66.02 65.11 2dhi s SER 118 CO 0.34 -0.27 -0.14 -0.55 0.98 0.00 0.00 173.24 173.60 2dhi s SER 119 N 1.76 3.78 0.00 7.02 0.15 -1.26 -5.27 113.70 119.89 2dhi s SER 119 Ca -0.01 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.22 2dhi s SER 119 Cb -0.17 -1.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.56 2dhi s SER 119 CO -0.07 0.11 0.19 0.61 1.20 0.00 0.00 173.24 175.27