#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g46 n PHE 2 N 0.00 1.16 -4.01 2.03 1.16 -1.26 -4.51 117.46 112.03 2g46 n PHE 2 Ca 0.00 0.63 -0.13 0.00 -1.87 0.00 0.00 57.45 56.08 2g46 n PHE 2 Cb 0.00 -2.23 -0.13 0.00 -1.61 0.00 0.00 39.48 35.51 2g46 n PHE 2 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 2g46 s ASN 3 N -0.64 0.38 0.22 5.98 0.01 0.11 -4.94 114.94 116.04 2g46 s ASN 3 Ca 0.60 -0.21 -0.13 0.00 -0.71 0.00 0.00 52.86 52.42 2g46 s ASN 3 Cb -0.63 0.00 0.26 0.00 0.41 0.00 0.00 41.25 41.29 2g46 s ASN 3 CO 0.59 -0.07 1.62 -0.78 -1.51 0.00 0.00 177.10 176.95 2g46 h ASP 4 N 5.57 -0.62 -0.24 -1.22 1.82 -2.02 0.04 116.42 119.74 2g46 h ASP 4 Ca -0.29 0.20 -0.13 0.00 -0.39 0.00 0.00 57.03 56.43 2g46 h ASP 4 Cb 1.20 0.41 -0.01 0.00 0.68 0.00 0.00 39.33 41.62 2g46 h ASP 4 CO 0.47 -0.22 -0.29 0.03 -1.61 0.00 0.00 179.24 177.62 2g46 h ARG 5 N 0.00 0.74 -2.63 0.28 2.47 -1.98 -3.45 114.38 109.81 2g46 h ARG 5 Ca 0.32 -0.33 -0.10 0.00 -1.26 0.00 0.00 59.98 58.62 2g46 h ARG 5 Cb 0.49 -0.02 -0.20 0.00 -1.65 0.00 0.00 29.97 28.59 2g46 h ARG 5 CO -0.69 0.94 -0.10 0.08 0.56 0.00 0.00 179.97 180.76 2g46 s VAL 6 N -4.48 0.03 0.37 2.04 1.01 -0.00 -4.33 120.40 115.04 2g46 s VAL 6 Ca -0.09 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 61.71 2g46 s VAL 6 Cb 0.13 -0.75 -0.07 0.00 0.00 0.00 0.00 36.38 35.69 2g46 s VAL 6 CO 0.84 -0.15 -0.00 -0.51 0.00 0.00 0.00 175.10 175.28 2g46 s ILE 7 N -1.14 2.27 -0.23 2.22 2.07 -1.00 0.05 121.20 125.44 2g46 s ILE 7 Ca -0.11 -2.02 -0.11 0.00 -1.41 0.00 0.00 60.65 57.00 2g46 s ILE 7 Cb -0.03 -2.84 -0.05 0.00 0.13 0.00 0.00 42.46 39.67 2g46 s ILE 7 CO 0.06 -0.11 0.17 -0.69 -1.91 0.00 0.00 174.94 172.46 2g46 s VAL 8 N -2.62 5.36 -0.20 4.00 1.01 -1.26 -1.22 120.40 125.46 2g46 s VAL 8 Ca 0.35 0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.51 2g46 s VAL 8 Cb 0.04 -3.51 0.10 0.00 0.00 0.00 0.00 36.38 33.01 2g46 s VAL 8 CO 0.18 0.36 0.36 -0.54 0.00 0.00 0.00 175.10 175.47 2g46 s LYS 9 N 0.93 0.29 -0.78 2.72 3.01 -0.49 -4.80 119.74 120.63 2g46 s LYS 9 Ca 0.09 0.74 -0.02 0.00 -1.01 0.00 0.00 55.97 55.77 2g46 s LYS 9 Cb -0.13 -0.14 -0.02 0.00 -1.01 0.00 0.00 37.83 36.53 2g46 s LYS 9 CO 0.03 -0.43 0.71 1.17 0.51 0.00 0.00 175.35 177.34 2g46 n LYS 10 N 5.37 -1.52 0.00 1.68 0.00 -1.22 -1.57 118.16 120.91 2g46 n LYS 10 Ca -0.06 1.17 0.00 0.00 0.00 0.00 0.00 58.31 59.42 2g46 n LYS 10 Cb 0.50 -5.39 0.00 0.00 0.00 0.00 0.00 35.03 30.14 2g46 n LYS 10 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2g46 n SER 11 N -2.22 0.00 -3.01 3.14 2.88 -1.26 -5.02 113.62 108.13 2g46 n SER 11 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2g46 n SER 11 Cb 0.54 0.10 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 2g46 n SER 11 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2g46 n PRO 12 N -1.89 2.66 -0.00 -1.46 -0.02 -1.26 -4.99 135.00 128.04 2g46 n PRO 12 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.58 2g46 n PRO 12 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.35 2g46 n PRO 12 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2g46 n LEU 13 N 0.00 0.71 0.00 2.45 7.94 -1.26 -4.92 117.00 121.92 2g46 n LEU 13 Ca 0.00 -0.37 0.00 0.00 -1.11 0.00 0.00 56.01 54.53 2g46 n LEU 13 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2g46 n LEU 13 CO 0.00 0.18 0.00 0.61 -1.11 0.00 0.00 177.39 177.07 2g46 n GLY 14 N 1.43 -2.48 0.00 -3.96 0.00 -1.26 -5.06 105.19 93.86 2g46 n GLY 14 Ca 0.02 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2g46 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2g46 n GLY 15 N 1.16 3.58 3.41 -0.02 0.00 -1.26 -5.03 105.19 107.02 2g46 n GLY 15 Ca 0.00 -1.74 -0.44 0.00 0.00 0.00 0.00 46.02 43.84 2g46 n GLY 15 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2g46 s TYR 16 N 3.73 3.18 0.08 1.61 1.51 -1.26 -3.43 117.35 122.77 2g46 s TYR 16 Ca 0.00 -0.81 0.00 0.00 -1.01 0.00 0.00 57.07 55.25 2g46 s TYR 16 Cb 0.00 -3.32 0.00 0.00 -0.11 0.00 0.00 41.96 38.54 2g46 s TYR 16 CO 0.00 -0.89 0.01 0.41 -1.11 0.00 0.00 175.55 173.98 2g46 n GLY 17 N 5.20 3.89 3.16 0.71 0.00 -0.61 -4.38 105.19 113.16 2g46 n GLY 17 Ca -0.10 -2.23 -0.29 0.00 0.00 0.00 0.00 46.02 43.40 2g46 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g46 s VAL 18 N -1.12 1.70 0.40 1.61 0.11 -1.17 -1.39 120.40 120.55 2g46 s VAL 18 Ca 0.01 -0.84 0.02 0.00 -2.93 0.00 0.00 61.98 58.24 2g46 s VAL 18 Cb -0.00 -1.48 -0.01 0.00 -1.53 0.00 0.00 36.38 33.36 2g46 s VAL 18 CO 0.01 0.48 0.60 -0.36 -3.33 0.00 0.00 175.10 172.50 2g46 s PHE 19 N 0.26 3.23 -0.36 1.54 0.40 -0.36 0.82 117.98 123.51 2g46 s PHE 19 Ca -0.12 0.12 0.03 0.00 -0.60 0.00 0.00 56.93 56.36 2g46 s PHE 19 Cb -0.15 -2.17 0.11 0.00 0.51 0.00 0.00 43.02 41.31 2g46 s PHE 19 CO 0.05 -0.20 0.10 0.00 0.70 0.00 0.00 175.22 175.88 2g46 s ALA 20 N -2.42 2.51 0.61 5.36 0.00 0.63 -2.38 121.76 126.07 2g46 s ALA 20 Ca 0.46 -2.39 0.42 0.00 0.00 0.00 0.00 51.96 50.45 2g46 s ALA 20 Cb -0.10 -1.89 2.30 0.00 0.00 0.00 0.00 23.12 23.43 2g46 s ALA 20 CO 0.36 -1.75 2.30 0.00 0.00 0.00 0.00 175.76 176.66 2g46 h ARG 21 N 7.54 0.00 -7.21 0.00 3.08 -1.86 0.93 114.38 116.86 2g46 h ARG 21 Ca -0.07 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.51 2g46 h ARG 21 Cb 1.00 0.00 0.09 0.00 0.08 0.00 0.00 29.97 31.14 2g46 h ARG 21 CO 0.52 0.00 0.15 0.15 -1.07 0.00 0.00 179.97 179.72 2g46 s LYS 22 N -4.10 1.47 0.00 0.04 1.02 -1.26 -3.78 119.74 113.12 2g46 s LYS 22 Ca -0.05 -1.10 0.00 0.00 0.02 0.00 0.00 55.97 54.85 2g46 s LYS 22 Cb 0.12 -2.27 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 2g46 s LYS 22 CO 0.39 -1.63 0.00 0.43 -0.92 0.00 0.00 175.35 173.62 2g46 n SER 23 N -2.98 0.00 -4.74 2.83 7.64 0.89 -1.61 113.62 115.65 2g46 n SER 23 Ca 0.16 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.80 2g46 n SER 23 Cb 0.61 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.75 2g46 n SER 23 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2g46 s PHE 24 N -2.00 2.95 0.00 1.43 0.08 -1.00 -4.93 117.98 114.51 2g46 s PHE 24 Ca 0.00 -0.13 0.00 0.00 0.12 0.00 0.00 56.93 56.92 2g46 s PHE 24 Cb 0.00 -1.35 0.00 0.00 -0.57 0.00 0.00 43.02 41.10 2g46 s PHE 24 CO 0.00 0.55 0.00 0.39 -0.10 0.00 0.00 175.22 176.06 2g46 n GLU 25 N -0.79 3.13 -3.24 0.44 1.02 -1.26 -1.59 120.64 118.34 2g46 n GLU 25 Ca -0.08 0.00 -0.46 0.00 -0.02 0.00 0.00 57.16 56.60 2g46 n GLU 25 Cb 0.57 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.97 2g46 n GLU 25 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2g46 s LYS 26 N 2.85 3.59 0.00 3.49 2.20 -1.26 -2.70 119.74 127.91 2g46 s LYS 26 Ca 0.00 -2.29 0.00 0.00 -0.36 0.00 0.00 55.97 53.32 2g46 s LYS 26 Cb 0.00 -4.53 0.00 0.00 -1.51 0.00 0.00 37.83 31.79 2g46 s LYS 26 CO 0.00 -1.39 0.00 0.41 -0.36 0.00 0.00 175.35 174.01 2g46 n GLY 27 N 4.32 0.69 3.10 5.54 0.00 -0.81 -4.95 105.19 113.10 2g46 n GLY 27 Ca 0.15 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2g46 n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2g46 s GLU 28 N 0.00 1.62 -0.56 1.61 0.41 -1.26 -4.92 118.70 115.61 2g46 s GLU 28 Ca 0.00 -0.54 -0.28 0.00 -0.41 0.00 0.00 54.97 53.74 2g46 s GLU 28 Cb 0.00 -1.42 0.01 0.00 -1.78 0.00 0.00 34.13 30.95 2g46 s GLU 28 CO 0.00 0.20 1.41 -1.17 -0.49 0.00 0.00 175.26 175.21 2g46 s LEU 29 N 0.11 3.41 0.06 1.80 1.98 -1.26 -2.50 118.68 122.27 2g46 s LEU 29 Ca -0.04 0.30 -0.20 0.00 -2.89 0.00 0.00 54.13 51.30 2g46 s LEU 29 Cb -0.11 -3.07 -0.12 0.00 0.66 0.00 0.00 46.19 43.54 2g46 s LEU 29 CO 0.02 -1.69 1.44 0.58 -1.89 0.00 0.00 176.35 174.80 2g46 h VAL 30 N 6.38 1.29 -1.75 1.68 2.07 -0.36 -3.47 116.25 122.09 2g46 h VAL 30 Ca -0.27 -1.04 0.07 0.00 0.82 0.00 0.00 66.70 66.28 2g46 h VAL 30 Cb 1.09 1.62 -0.21 0.00 -1.52 0.00 0.00 31.29 32.27 2g46 h VAL 30 CO 1.17 0.31 0.50 -1.61 0.02 0.00 0.00 177.57 177.97 2g46 s GLU 31 N -4.70 0.68 -0.00 1.57 0.41 -1.17 -4.95 118.70 110.55 2g46 s GLU 31 Ca -0.14 0.06 -0.01 0.00 -0.41 0.00 0.00 54.97 54.48 2g46 s GLU 31 Cb 0.06 0.32 -0.00 0.00 -1.78 0.00 0.00 34.13 32.73 2g46 s GLU 31 CO 0.74 -0.23 0.01 -1.83 -0.49 0.00 0.00 175.26 173.45 2g46 s GLU 32 N -1.55 0.08 0.25 1.61 -1.05 -1.26 0.16 118.70 116.94 2g46 s GLU 32 Ca -0.01 -0.10 0.01 0.00 -0.15 0.00 0.00 54.97 54.72 2g46 s GLU 32 Cb -0.01 0.03 -0.00 0.00 -0.44 0.00 0.00 34.13 33.71 2g46 s GLU 32 CO 0.00 -0.01 0.31 0.00 0.95 0.00 0.00 175.26 176.51 2g46 n LEU 34 N 0.00 0.00 -4.06 0.00 4.32 -1.26 -0.94 117.00 115.06 2g46 n LEU 34 Ca 0.02 -2.01 -0.12 0.00 -0.02 0.00 0.00 56.01 53.87 2g46 n LEU 34 Cb 0.43 -0.53 -0.05 0.00 -1.62 0.00 0.00 43.42 41.65 2g46 n LEU 34 CO 0.22 -0.87 0.12 0.00 -1.22 0.00 0.00 177.39 175.64 2g46 s ILE 36 N -3.52 4.37 -0.88 0.00 1.01 -1.08 -4.86 121.20 116.24 2g46 s ILE 36 Ca 0.28 -1.57 -0.21 0.00 0.00 0.00 0.00 60.65 59.15 2g46 s ILE 36 Cb 0.00 -3.78 0.10 0.00 0.01 0.00 0.00 42.46 38.79 2g46 s ILE 36 CO 0.15 -0.67 1.16 -0.69 0.00 0.00 0.00 174.94 174.89 2g46 s VAL 37 N 1.42 4.42 0.18 2.92 1.01 -1.26 -1.64 120.40 127.46 2g46 s VAL 37 Ca 0.04 -1.04 0.10 0.00 0.00 0.00 0.00 61.98 61.08 2g46 s VAL 37 Cb -0.25 -4.82 -0.04 0.00 0.00 0.00 0.00 36.38 31.26 2g46 s VAL 37 CO 0.01 -1.60 -0.15 -0.60 0.00 0.00 0.00 175.10 172.76 2g46 s ARG 38 N 3.61 1.86 0.00 2.72 6.06 0.09 -4.95 118.95 128.34 2g46 s ARG 38 Ca 0.33 -1.36 0.00 0.00 -2.50 0.00 0.00 55.73 52.20 2g46 s ARG 38 Cb -0.07 -2.05 0.00 0.00 0.06 0.00 0.00 34.95 32.90 2g46 s ARG 38 CO -0.04 0.42 0.00 0.72 -2.50 0.00 0.00 175.30 173.90 2g46 n HIS 39 N 0.14 -1.79 -3.84 5.12 8.25 -1.26 -0.95 115.22 120.88 2g46 n HIS 39 Ca -0.11 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.98 2g46 n HIS 39 Cb 0.56 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.53 2g46 n HIS 39 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2g46 s ASN 40 N -1.94 4.84 0.00 0.41 0.01 -1.26 -4.12 114.94 112.87 2g46 s ASN 40 Ca 0.00 -0.80 0.00 0.00 -0.71 0.00 0.00 52.86 51.35 2g46 s ASN 40 Cb 0.00 -1.80 0.00 0.00 0.41 0.00 0.00 41.25 39.86 2g46 s ASN 40 CO 0.00 -0.17 0.00 -0.67 -1.51 0.00 0.00 177.10 174.75 2g46 n ASP 41 N 4.79 0.71 0.03 -1.22 -0.08 -1.26 -4.94 116.55 114.58 2g46 n ASP 41 Ca -0.15 0.00 0.22 0.00 -1.51 0.00 0.00 54.79 53.35 2g46 n ASP 41 Cb 0.47 0.00 0.70 0.00 2.34 0.00 0.00 41.12 44.63 2g46 n ASP 41 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2g46 h ASP 42 N 0.00 0.00 0.50 1.67 3.32 -1.99 -0.08 116.42 119.83 2g46 h ASP 42 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2g46 h ASP 42 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2g46 h ASP 42 CO 0.00 0.00 -0.35 -0.25 -1.72 0.00 0.00 179.24 176.92 2g46 h TRP 43 N 0.00 -0.92 -0.84 4.55 2.91 -1.92 0.21 115.95 119.94 2g46 h TRP 43 Ca 0.25 -0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.32 2g46 h TRP 43 Cb 1.41 0.34 -0.05 0.00 -0.51 0.00 0.00 29.16 30.34 2g46 h TRP 43 CO 0.00 -0.52 0.55 0.78 -1.03 0.00 0.00 178.44 178.22 2g46 h GLY 44 N -0.82 1.19 0.43 2.65 0.00 -1.28 0.11 103.07 105.35 2g46 h GLY 44 Ca -0.05 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 2g46 h GLY 44 CO 0.03 0.30 -0.21 -0.84 0.00 0.00 0.00 176.54 175.82 2g46 h THR 45 N 0.97 0.00 -0.42 4.70 2.02 -1.14 -0.39 112.91 118.65 2g46 h THR 45 Ca 0.35 -0.07 0.06 0.00 0.77 0.00 0.00 66.41 67.53 2g46 h THR 45 Cb 0.16 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.51 2g46 h THR 45 CO -0.12 0.00 0.10 0.00 0.37 0.00 0.00 175.52 175.87 2g46 h ALA 46 N -1.66 0.47 -0.53 6.16 0.00 -0.87 -1.53 119.26 121.30 2g46 h ALA 46 Ca -0.06 0.08 -0.37 0.00 0.00 0.00 0.00 54.91 54.55 2g46 h ALA 46 Cb 0.45 0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.17 2g46 h ALA 46 CO 0.10 -0.30 0.46 1.28 0.00 0.00 0.00 179.25 180.79 2g46 n LEU 47 N -5.08 6.59 -3.25 0.00 7.99 0.37 -4.80 117.00 118.83 2g46 n LEU 47 Ca 0.03 -3.47 -0.24 0.00 -0.01 0.00 0.00 56.01 52.32 2g46 n LEU 47 Cb 0.19 -1.07 -0.03 0.00 -0.11 0.00 0.00 43.42 42.40 2g46 n LEU 47 CO 0.23 1.30 2.07 -1.84 -1.51 0.00 0.00 177.39 177.65 2g46 n GLU 48 N 0.28 1.58 0.00 3.23 -0.00 -0.16 -4.56 120.64 121.02 2g46 n GLU 48 Ca 0.35 -1.37 0.00 0.00 -0.00 0.00 0.00 57.16 56.14 2g46 n GLU 48 Cb 0.58 -2.48 0.00 0.00 -0.00 0.00 0.00 31.44 29.55 2g46 n GLU 48 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2g46 n ASP 49 N 5.15 0.00 -2.87 -1.84 8.00 -1.26 -4.97 116.55 118.75 2g46 n ASP 49 Ca 0.39 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.68 2g46 n ASP 49 Cb 0.17 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.29 2g46 n ASP 49 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2g46 n TYR 50 N -0.02 -1.66 -3.53 1.24 4.01 -1.26 -4.93 117.16 111.01 2g46 n TYR 50 Ca 0.00 0.33 -0.41 0.00 -0.16 0.00 0.00 57.90 57.66 2g46 n TYR 50 Cb 0.00 -3.87 -0.09 0.00 -0.31 0.00 0.00 39.34 35.07 2g46 n TYR 50 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2g46 s LEU 51 N -6.37 5.56 -0.59 7.72 1.43 -1.26 -2.61 118.68 122.55 2g46 s LEU 51 Ca 0.22 -1.71 -0.22 0.00 -1.03 0.00 0.00 54.13 51.38 2g46 s LEU 51 Cb -0.10 -2.04 0.06 0.00 0.03 0.00 0.00 46.19 44.14 2g46 s LEU 51 CO 0.27 -0.65 0.89 -0.36 0.23 0.00 0.00 176.35 176.72 2g46 s PHE 52 N 1.43 2.79 0.17 0.29 0.08 0.13 -4.80 117.98 118.07 2g46 s PHE 52 Ca 0.04 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.75 2g46 s PHE 52 Cb -0.25 -4.08 -0.04 0.00 -0.57 0.00 0.00 43.02 38.08 2g46 s PHE 52 CO 0.01 -1.42 0.21 0.45 -0.10 0.00 0.00 175.22 174.37 2g46 s SER 53 N 3.22 5.88 0.18 1.36 0.15 -1.26 -1.39 113.70 121.85 2g46 s SER 53 Ca 0.23 -0.02 0.01 0.00 0.70 0.00 0.00 55.95 56.87 2g46 s SER 53 Cb -0.16 -1.64 0.01 0.00 -1.71 0.00 0.00 66.02 62.51 2g46 s SER 53 CO 0.13 0.04 0.04 0.54 1.20 0.00 0.00 173.24 175.20 2g46 n ARG 54 N -0.60 1.46 -2.27 5.44 1.74 0.14 -4.90 116.66 117.68 2g46 n ARG 54 Ca -0.08 -1.27 -0.43 0.00 -0.77 0.00 0.00 57.85 55.30 2g46 n ARG 54 Cb 0.55 0.28 0.00 0.00 -1.02 0.00 0.00 32.46 32.27 2g46 n ARG 54 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2g46 n LYS 55 N -0.60 3.19 0.00 5.56 4.81 -1.26 -2.77 118.16 127.10 2g46 n LYS 55 Ca -0.05 -3.17 0.00 0.00 -0.87 0.00 0.00 58.31 54.21 2g46 n LYS 55 Cb 0.22 -3.22 0.00 0.00 0.02 0.00 0.00 35.03 32.05 2g46 n LYS 55 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2g46 n ASN 56 N 6.10 0.00 -2.33 3.14 3.02 -1.26 -5.15 115.26 118.78 2g46 n ASN 56 Ca 0.46 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 55.02 2g46 n ASN 56 Cb 0.41 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.58 2g46 n ASN 56 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 2g46 n MET 57 N 0.00 0.15 -4.57 3.52 0.00 -1.11 -4.89 117.12 110.22 2g46 n MET 57 Ca 0.00 -0.48 -0.30 0.00 0.00 0.00 0.00 57.70 56.92 2g46 n MET 57 Cb 0.00 0.73 -0.13 0.00 0.00 0.00 0.00 33.22 33.82 2g46 n MET 57 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2g46 s SER 58 N -2.35 3.61 -0.03 3.17 1.04 -0.13 -0.68 113.70 118.33 2g46 s SER 58 Ca 0.14 -0.55 0.02 0.00 0.48 0.00 0.00 55.95 56.04 2g46 s SER 58 Cb -0.01 -0.46 0.01 0.00 0.10 0.00 0.00 66.02 65.66 2g46 s SER 58 CO 0.01 0.22 -0.09 0.00 0.98 0.00 0.00 173.24 174.36 2g46 s ALA 59 N -0.98 0.89 0.35 5.32 0.00 -0.48 -0.73 121.76 126.12 2g46 s ALA 59 Ca 0.15 -0.29 -0.07 0.00 0.00 0.00 0.00 51.96 51.74 2g46 s ALA 59 Cb -0.10 -0.37 -0.06 0.00 0.00 0.00 0.00 23.12 22.59 2g46 s ALA 59 CO 0.06 0.11 0.66 1.41 0.00 0.00 0.00 175.76 178.00 2g46 s MET 60 N 0.39 3.69 -0.87 0.00 1.75 -0.65 0.18 119.30 123.79 2g46 s MET 60 Ca -0.06 0.22 -0.21 0.00 -1.25 0.00 0.00 55.69 54.38 2g46 s MET 60 Cb -0.11 -2.52 0.09 0.00 2.84 0.00 0.00 34.83 35.14 2g46 s MET 60 CO 0.01 0.08 1.16 0.00 -0.65 0.00 0.00 175.02 175.62 2g46 s ALA 61 N -2.25 3.13 0.00 4.11 0.00 -1.07 -2.63 121.76 123.05 2g46 s ALA 61 Ca 0.47 -2.35 0.00 0.00 0.00 0.00 0.00 51.96 50.08 2g46 s ALA 61 Cb -0.10 -4.11 0.00 0.00 0.00 0.00 0.00 23.12 18.90 2g46 s ALA 61 CO 0.31 -3.08 0.99 -0.11 0.00 0.00 0.00 175.76 173.87 2g46 n LEU 62 N 7.49 0.00 0.00 0.00 0.00 -0.95 -4.21 117.00 119.32 2g46 n LEU 62 Ca 0.18 0.99 0.00 0.00 0.00 0.00 0.00 56.01 57.17 2g46 n LEU 62 Cb 0.49 -0.49 0.00 0.00 0.00 0.00 0.00 43.42 43.42 2g46 n LEU 62 CO 0.58 -0.49 0.00 0.61 0.00 0.00 0.00 177.39 178.10 2g46 n GLY 63 N -0.99 -2.34 2.37 -3.96 0.00 -1.21 -4.63 105.19 94.43 2g46 n GLY 63 Ca 0.00 -1.10 -0.26 0.00 0.00 0.00 0.00 46.02 44.66 2g46 n GLY 63 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2g46 n PHE 64 N -0.04 1.49 0.04 1.61 3.01 -1.26 -4.29 117.46 118.02 2g46 n PHE 64 Ca 0.00 -2.27 0.02 0.00 1.01 0.00 0.00 57.45 56.22 2g46 n PHE 64 Cb 0.00 -1.95 -0.07 0.00 -0.01 0.00 0.00 39.48 37.45 2g46 n PHE 64 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2g46 n GLY 65 N 3.42 -1.23 0.13 1.37 0.00 -1.26 -4.27 105.19 103.35 2g46 n GLY 65 Ca 0.57 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 46.21 2g46 n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g46 h ALA 66 N 1.53 0.04 -0.93 4.61 0.00 -1.78 -3.31 119.26 119.42 2g46 h ALA 66 Ca -0.14 -0.95 0.27 0.00 0.00 0.00 0.00 54.91 54.09 2g46 h ALA 66 Cb 1.48 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 19.56 2g46 h ALA 66 CO 0.04 0.71 0.71 -0.84 0.00 0.00 0.00 179.25 179.87 2g46 h ILE 67 N -0.18 0.46 -3.23 0.00 -0.00 -1.78 -3.42 117.51 109.36 2g46 h ILE 67 Ca -0.26 0.00 -0.57 0.00 -0.00 0.00 0.00 64.86 64.03 2g46 h ILE 67 Cb 1.85 0.50 0.11 0.00 -0.00 0.00 0.00 36.82 39.28 2g46 h ILE 67 CO 0.14 0.00 0.47 0.49 -0.00 0.00 0.00 178.15 179.25 2g46 n PHE 68 N -4.13 2.18 -4.47 0.16 3.72 -1.25 -3.76 117.46 109.92 2g46 n PHE 68 Ca 0.20 0.57 -0.25 0.00 -0.05 0.00 0.00 57.45 57.91 2g46 n PHE 68 Cb 1.03 -2.40 -0.04 0.00 -0.94 0.00 0.00 39.48 37.13 2g46 n PHE 68 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2g46 n ASN 69 N 0.81 3.00 -4.65 4.37 3.02 -1.26 -4.76 115.26 115.79 2g46 n ASN 69 Ca 0.05 -2.74 -0.36 0.00 -0.03 0.00 0.00 54.58 51.50 2g46 n ASN 69 Cb 0.36 0.23 -0.10 0.00 -0.61 0.00 0.00 39.78 39.66 2g46 n ASN 69 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2g46 s HIS 70 N -2.42 3.30 0.00 3.10 2.46 -1.25 -1.64 115.29 118.84 2g46 s HIS 70 Ca 0.04 0.17 0.04 0.00 0.47 0.00 0.00 55.06 55.79 2g46 s HIS 70 Cb -0.00 -2.24 -0.01 0.00 -0.13 0.00 0.00 32.58 30.19 2g46 s HIS 70 CO 0.03 0.06 -0.13 0.45 -2.47 0.00 0.00 174.74 172.67 2g46 s SER 71 N 1.00 1.57 0.49 9.88 0.15 -1.26 -5.01 113.70 120.51 2g46 s SER 71 Ca 0.07 -0.29 0.26 0.00 0.70 0.00 0.00 55.95 56.69 2g46 s SER 71 Cb -0.13 -0.15 1.33 0.00 -1.71 0.00 0.00 66.02 65.35 2g46 s SER 71 CO 0.04 0.13 1.87 0.11 1.20 0.00 0.00 173.24 176.58 2g46 h LYS 72 N 5.59 0.16 -3.28 5.44 1.79 -1.98 -3.18 116.57 121.11 2g46 h LYS 72 Ca -0.35 -0.01 -0.63 0.00 -2.18 0.00 0.00 60.65 57.48 2g46 h LYS 72 Cb 1.17 -0.04 -0.41 0.00 -1.58 0.00 0.00 32.23 31.37 2g46 h LYS 72 CO 0.48 0.10 -0.62 -0.51 -1.08 0.00 0.00 179.45 177.82 2g46 s ASP 73 N -5.58 4.40 -0.39 0.86 1.01 -1.26 -4.97 116.67 110.74 2g46 s ASP 73 Ca -0.06 -3.22 -0.28 0.00 0.71 0.00 0.00 52.55 49.70 2g46 s ASP 73 Cb 0.22 -1.61 -0.07 0.00 1.01 0.00 0.00 42.92 42.47 2g46 s ASP 73 CO 0.78 -0.19 2.33 -0.81 0.21 0.00 0.00 175.17 177.48 2g46 n PRO 74 N 2.83 1.37 0.17 8.23 -0.04 -1.20 -4.80 135.00 141.55 2g46 n PRO 74 Ca 0.09 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 63.93 2g46 n PRO 74 Cb 0.33 -3.17 0.35 0.00 -0.04 0.00 0.00 33.50 30.97 2g46 n PRO 74 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2g46 h ASN 75 N 16.66 0.00 -5.46 3.54 2.35 -1.88 -3.45 115.58 127.34 2g46 h ASN 75 Ca -0.30 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.26 2g46 h ASN 75 Cb 1.27 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.49 2g46 h ASN 75 CO 1.07 0.00 -0.59 0.00 -1.65 0.00 0.00 177.43 176.26 2g46 s ALA 76 N -3.21 0.84 0.00 -0.83 0.00 -1.26 -3.06 121.76 114.24 2g46 s ALA 76 Ca 0.08 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.57 2g46 s ALA 76 Cb 0.09 1.04 0.00 0.00 0.00 0.00 0.00 23.12 24.25 2g46 s ALA 76 CO 0.60 -0.55 0.00 -2.13 0.00 0.00 0.00 175.76 173.68 2g46 n ARG 77 N -0.17 0.80 -4.05 0.00 0.63 -0.97 -4.49 116.66 108.41 2g46 n ARG 77 Ca -0.03 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.81 2g46 n ARG 77 Cb 0.64 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.47 2g46 n ARG 77 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 2g46 s HIS 78 N -0.98 0.58 -0.19 -0.14 -3.43 -1.26 -2.12 115.29 107.75 2g46 s HIS 78 Ca 0.00 -0.99 -0.04 0.00 -0.80 0.00 0.00 55.06 53.24 2g46 s HIS 78 Cb 0.00 -0.29 0.09 0.00 -1.43 0.00 0.00 32.58 30.96 2g46 s HIS 78 CO 0.00 -0.56 0.26 -2.00 -2.00 0.00 0.00 174.74 170.44 2g46 s GLU 79 N -3.98 0.21 -1.29 -0.38 2.12 0.11 -4.84 118.70 110.65 2g46 s GLU 79 Ca 0.17 0.37 -0.05 0.00 0.36 0.00 0.00 54.97 55.82 2g46 s GLU 79 Cb 0.06 -0.84 0.14 0.00 0.26 0.00 0.00 34.13 33.75 2g46 s GLU 79 CO -0.02 -0.58 2.32 1.28 -0.54 0.00 0.00 175.26 177.72 2g46 n LEU 80 N 5.33 7.96 -2.26 2.70 4.32 -1.24 -0.16 117.00 133.65 2g46 n LEU 80 Ca -0.05 -4.94 -0.02 0.00 -0.02 0.00 0.00 56.01 50.98 2g46 n LEU 80 Cb 0.50 -1.34 -0.00 0.00 -1.62 0.00 0.00 43.42 40.95 2g46 n LEU 80 CO 0.07 2.05 -0.03 0.35 -1.22 0.00 0.00 177.39 178.61 2g46 n THR 81 N 1.57 -0.09 -1.82 -5.08 -2.24 -0.79 0.04 114.28 105.87 2g46 n THR 81 Ca 0.61 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 62.27 2g46 n THR 81 Cb 0.25 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.14 2g46 n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2g46 n ALA 82 N -2.17 -0.44 -1.78 6.98 0.00 -1.26 -4.58 120.51 117.25 2g46 n ALA 82 Ca -0.03 0.15 -0.04 0.00 0.00 0.00 0.00 53.44 53.53 2g46 n ALA 82 Cb 0.45 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.49 2g46 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g46 n GLY 83 N -0.47 0.21 2.86 0.00 0.00 0.11 -5.09 105.19 102.81 2g46 n GLY 83 Ca -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 2g46 n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2g46 n LEU 84 N 0.00 -5.71 0.00 0.99 4.77 0.32 -4.93 117.00 112.43 2g46 n LEU 84 Ca -0.15 1.43 0.00 0.00 -0.03 0.00 0.00 56.01 57.26 2g46 n LEU 84 Cb 0.50 -2.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.05 2g46 n LEU 84 CO -0.07 -3.09 0.00 0.29 -1.33 0.00 0.00 177.39 173.19 2g46 n LYS 85 N 1.64 0.00 -3.45 3.23 4.76 -1.25 -4.79 118.16 118.31 2g46 n LYS 85 Ca -0.14 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.10 2g46 n LYS 85 Cb 0.31 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.39 2g46 n LYS 85 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2g46 s ARG 86 N -0.44 0.26 -0.27 1.97 3.00 -1.26 -3.23 118.95 118.98 2g46 s ARG 86 Ca 0.00 -0.12 -0.28 0.00 0.00 0.00 0.00 55.73 55.34 2g46 s ARG 86 Cb 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 34.95 34.05 2g46 s ARG 86 CO 0.00 -0.92 1.00 -1.64 0.00 0.00 0.00 175.30 173.74 2g46 s MET 87 N 2.30 4.16 -0.17 3.54 -1.94 -0.12 -1.88 119.30 125.19 2g46 s MET 87 Ca 0.09 1.15 -0.03 0.00 -1.71 0.00 0.00 55.69 55.18 2g46 s MET 87 Cb -0.15 -3.68 -0.02 0.00 2.01 0.00 0.00 34.83 32.99 2g46 s MET 87 CO -0.28 -0.70 -0.06 1.03 -0.01 0.00 0.00 175.02 175.00 2g46 s ARG 88 N 3.27 3.52 -0.31 2.03 0.52 0.77 -0.96 118.95 127.80 2g46 s ARG 88 Ca 0.42 -0.59 -0.21 0.00 -0.52 0.00 0.00 55.73 54.83 2g46 s ARG 88 Cb -0.14 -2.88 -0.01 0.00 0.52 0.00 0.00 34.95 32.44 2g46 s ARG 88 CO 0.10 0.10 0.68 0.42 0.02 0.00 0.00 175.30 176.62 2g46 s ILE 89 N 0.69 4.89 0.21 1.52 1.01 0.41 -0.71 121.20 129.22 2g46 s ILE 89 Ca -0.03 0.95 0.02 0.00 0.00 0.00 0.00 60.65 61.60 2g46 s ILE 89 Cb -0.15 -4.05 0.02 0.00 0.01 0.00 0.00 42.46 38.29 2g46 s ILE 89 CO 0.02 -0.18 0.19 0.49 0.00 0.00 0.00 174.94 175.46 2g46 n PHE 90 N 5.99 -1.58 -3.72 3.97 3.72 -0.90 0.37 117.46 125.32 2g46 n PHE 90 Ca 0.01 -0.84 -0.30 0.00 -0.05 0.00 0.00 57.45 56.27 2g46 n PHE 90 Cb 0.49 -0.18 -0.14 0.00 -0.94 0.00 0.00 39.48 38.71 2g46 n PHE 90 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2g46 s THR 91 N -0.82 1.22 0.53 4.37 -4.23 -1.04 -2.28 115.64 113.39 2g46 s THR 91 Ca 0.14 -2.17 0.34 0.00 -1.18 0.00 0.00 61.69 58.83 2g46 s THR 91 Cb -0.01 -1.88 0.34 0.00 1.34 0.00 0.00 72.50 72.29 2g46 s THR 91 CO 0.09 -0.82 2.05 0.16 -0.54 0.00 0.00 174.62 175.56 2g46 h ILE 92 N 5.65 0.00 -3.11 2.99 3.07 -1.85 -2.15 117.51 122.11 2g46 h ILE 92 Ca -0.04 0.00 -0.15 0.00 1.55 0.00 0.00 64.86 66.22 2g46 h ILE 92 Cb 0.96 0.77 -0.23 0.00 -0.27 0.00 0.00 36.82 38.04 2g46 h ILE 92 CO 0.47 0.00 -0.38 -1.59 -1.05 0.00 0.00 178.15 175.60 2g46 s LYS 93 N -4.01 0.43 0.34 0.16 -2.85 -1.22 -4.75 119.74 107.84 2g46 s LYS 93 Ca -0.04 0.15 -0.27 0.00 -1.00 0.00 0.00 55.97 54.81 2g46 s LYS 93 Cb 0.10 0.20 -0.13 0.00 -2.06 0.00 0.00 37.83 35.94 2g46 s LYS 93 CO 0.31 -0.08 1.03 -2.30 0.10 0.00 0.00 175.35 174.41 2g46 n PRO 94 N 2.35 1.44 -4.15 1.78 -0.02 -1.10 -4.72 135.00 130.57 2g46 n PRO 94 Ca -0.16 0.51 -0.30 0.00 -2.02 0.00 0.00 63.50 61.53 2g46 n PRO 94 Cb 0.57 -1.95 -0.08 0.00 -0.02 0.00 0.00 33.50 32.02 2g46 n PRO 94 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2g46 s ILE 95 N -1.14 3.88 0.28 4.25 1.01 -0.62 -4.93 121.20 123.94 2g46 s ILE 95 Ca 0.59 -1.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 2g46 s ILE 95 Cb -0.64 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 2g46 s ILE 95 CO 0.59 0.09 0.50 0.00 0.00 0.00 0.00 174.94 176.12 2g46 s ALA 96 N -1.34 3.72 -0.21 9.38 0.00 -1.24 -0.08 121.76 131.99 2g46 s ALA 96 Ca 0.25 -0.80 -0.29 0.00 0.00 0.00 0.00 51.96 51.13 2g46 s ALA 96 Cb -0.11 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 2g46 s ALA 96 CO 0.18 0.20 1.99 0.42 0.00 0.00 0.00 175.76 178.54 2g46 s ILE 97 N -2.11 3.23 0.00 0.00 1.01 -0.64 -2.39 121.20 120.31 2g46 s ILE 97 Ca 0.40 0.25 0.00 0.00 0.00 0.00 0.00 60.65 61.30 2g46 s ILE 97 Cb -0.10 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.09 2g46 s ILE 97 CO 0.32 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.72 2g46 n GLY 98 N 5.35 1.34 3.92 6.18 0.00 0.30 -4.92 105.19 117.36 2g46 n GLY 98 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 2g46 n GLY 98 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2g46 s GLU 99 N -0.29 3.34 -0.35 1.61 -6.30 -1.01 -4.87 118.70 110.83 2g46 s GLU 99 Ca 0.00 -0.68 -0.17 0.00 -2.50 0.00 0.00 54.97 51.62 2g46 s GLU 99 Cb 0.00 -2.89 -0.01 0.00 0.00 0.00 0.00 34.13 31.23 2g46 s GLU 99 CO 0.00 0.50 0.46 -2.00 0.02 0.00 0.00 175.26 174.23 2g46 s GLU 100 N -3.34 3.60 -0.22 4.30 -6.30 -1.26 -0.27 118.70 115.20 2g46 s GLU 100 Ca 0.34 -0.26 -0.20 0.00 -2.50 0.00 0.00 54.97 52.35 2g46 s GLU 100 Cb -0.10 -3.81 -0.02 0.00 0.00 0.00 0.00 34.13 30.19 2g46 s GLU 100 CO 0.28 -0.60 0.62 0.42 0.02 0.00 0.00 175.26 175.99 2g46 s ILE 101 N 2.25 5.02 -0.21 -3.70 1.01 0.24 -4.82 121.20 120.99 2g46 s ILE 101 Ca 0.16 1.14 -0.15 0.00 0.00 0.00 0.00 60.65 61.80 2g46 s ILE 101 Cb -0.16 -3.93 0.06 0.00 0.01 0.00 0.00 42.46 38.44 2g46 s ILE 101 CO 0.13 0.09 0.52 0.42 0.00 0.00 0.00 174.94 176.10 2g46 s THR 102 N 2.06 -0.01 0.14 2.92 -4.23 -1.26 -3.04 115.64 112.23 2g46 s THR 102 Ca 0.27 0.03 0.04 0.00 -1.18 0.00 0.00 61.69 60.86 2g46 s THR 102 Cb -0.16 -0.75 -0.04 0.00 1.34 0.00 0.00 72.50 72.89 2g46 s THR 102 CO 0.10 0.01 0.14 0.27 -0.54 0.00 0.00 174.62 174.60 2g46 s ILE 103 N 0.98 4.59 0.00 2.99 -5.25 -0.65 -4.06 121.20 119.80 2g46 s ILE 103 Ca -0.06 -0.97 0.00 0.00 -0.99 0.00 0.00 60.65 58.64 2g46 s ILE 103 Cb -0.06 -3.32 0.00 0.00 2.95 0.00 0.00 42.46 42.04 2g46 s ILE 103 CO -0.09 -0.05 0.00 -1.20 -1.79 0.00 0.00 174.94 171.81 2g46 n SER 104 N -0.19 -0.00 0.01 4.36 7.64 -1.26 -3.96 113.62 120.23 2g46 n SER 104 Ca -0.08 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.49 2g46 n SER 104 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 2g46 n SER 104 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2g46 n TYR 105 N -0.61 -0.14 0.00 1.43 4.01 -1.26 -4.97 117.16 115.61 2g46 n TYR 105 Ca 0.00 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 2g46 n TYR 105 Cb 0.00 0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 2g46 n TYR 105 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2g46 n GLY 106 N 2.79 0.33 0.36 2.72 0.00 -1.26 -4.85 105.19 105.27 2g46 n GLY 106 Ca 0.00 -1.65 0.12 0.00 0.00 0.00 0.00 46.02 44.49 2g46 n GLY 106 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2g46 h ASP 107 N 0.00 0.80 0.67 1.61 5.19 -1.82 -1.78 116.42 121.09 2g46 h ASP 107 Ca 0.00 0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.46 2g46 h ASP 107 Cb 0.00 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 39.44 2g46 h ASP 107 CO 0.00 0.33 -0.43 0.44 -3.12 0.00 0.00 179.24 176.46 2g46 h ASP 108 N 0.81 -1.10 -1.47 6.45 3.32 -1.91 -3.01 116.42 119.51 2g46 h ASP 108 Ca 0.55 0.06 -0.63 0.00 0.02 0.00 0.00 57.03 57.03 2g46 h ASP 108 Cb 0.80 0.33 -0.21 0.00 0.22 0.00 0.00 39.33 40.47 2g46 h ASP 108 CO -0.34 -0.65 0.85 -1.22 -1.72 0.00 0.00 179.24 176.16 2g46 n TYR 109 N -5.14 2.23 -3.91 4.55 4.02 -0.91 -4.91 117.16 113.10 2g46 n TYR 109 Ca -0.13 -2.19 0.02 0.00 -0.01 0.00 0.00 57.90 55.59 2g46 n TYR 109 Cb 0.44 -1.35 0.01 0.00 -0.02 0.00 0.00 39.34 38.42 2g46 n TYR 109 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 2g46 s TRP 110 N -2.63 0.02 0.00 -0.72 -0.00 -0.72 -4.30 118.94 110.60 2g46 s TRP 110 Ca 0.55 -0.18 0.00 0.00 -0.00 0.00 0.00 56.10 56.47 2g46 s TRP 110 Cb 0.37 0.58 0.00 0.00 -0.00 0.00 0.00 33.47 34.42 2g46 s TRP 110 CO -0.27 -0.38 0.00 1.28 -0.00 0.00 0.00 176.95 177.58 2g46 n LEU 111 N -0.80 0.00 0.00 5.86 4.77 -1.26 -4.75 117.00 120.82 2g46 n LEU 111 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2g46 n LEU 111 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2g46 n LEU 111 CO 0.16 -0.83 0.22 -1.20 -1.33 0.00 0.00 177.39 174.40 2g46 n SER 112 N -1.21 0.00 -2.84 -1.43 7.64 -1.26 -4.59 113.62 109.93 2g46 n SER 112 Ca 0.00 0.47 -0.11 0.00 1.01 0.00 0.00 58.87 60.24 2g46 n SER 112 Cb 0.00 -0.11 0.03 0.00 -1.01 0.00 0.00 64.21 63.11 2g46 n SER 112 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2g46 n ARG 113 N -0.84 0.78 -2.22 1.43 1.74 -1.26 -4.63 116.66 111.65 2g46 n ARG 113 Ca 0.00 -2.06 -0.42 0.00 -0.77 0.00 0.00 57.85 54.60 2g46 n ARG 113 Cb 0.00 -1.40 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 2g46 n ARG 113 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2g46 s PRO 114 N 0.25 4.30 -0.17 5.56 0.04 -1.26 -5.01 135.00 138.72 2g46 s PRO 114 Ca 0.32 1.98 -0.00 0.00 0.04 0.00 0.00 61.00 63.34 2g46 s PRO 114 Cb 0.22 -3.48 0.04 0.00 0.04 0.00 0.00 34.50 31.32 2g46 s PRO 114 CO -0.21 -0.52 -0.06 1.03 0.04 0.00 0.00 177.00 177.28 2g46 s ARG 115 N 2.01 1.56 0.31 4.56 1.81 -1.26 -4.99 118.95 122.95 2g46 s ARG 115 Ca 0.64 -0.57 0.08 0.00 -1.72 0.00 0.00 55.73 54.16 2g46 s ARG 115 Cb -0.32 -2.07 0.51 0.00 -0.45 0.00 0.00 34.95 32.61 2g46 s ARG 115 CO 0.28 -0.42 1.72 -0.07 -0.68 0.00 0.00 175.30 176.13 2g46 h LEU 116 N 8.09 0.18-10.21 2.53 3.38 -1.94 -3.45 115.31 113.89 2g46 h LEU 116 Ca -0.25 -0.07 -0.41 0.00 0.09 0.00 0.00 57.88 57.24 2g46 h LEU 116 Cb 1.11 -0.05 0.20 0.00 0.09 0.00 0.00 40.66 42.01 2g46 h LEU 116 CO 0.42 0.58 0.01 -0.89 0.09 0.00 0.00 178.44 178.65 2g46 s THR 117 N -4.12 1.52 0.63 0.22 2.01 -1.26 -4.93 115.64 109.71 2g46 s THR 117 Ca -0.04 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.78 2g46 s THR 117 Cb 0.14 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.37 2g46 s THR 117 CO 0.76 0.00 1.24 1.67 -0.69 0.00 0.00 174.62 177.60 2g46 n GLN 118 N -5.12 1.15 0.00 4.92 7.27 -1.26 -5.23 117.38 119.11 2g46 n GLN 118 Ca 0.11 0.45 0.16 0.00 0.07 0.00 0.00 57.00 57.78 2g46 n GLN 118 Cb 0.59 -2.47 0.94 0.00 2.41 0.00 0.00 30.24 31.71 2g46 n GLN 118 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42