#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f73 s GLU -6 N 0.00 1.48 -0.21 1.09 0.41 -1.26 -5.13 118.70 115.08 2f73 s GLU -6 Ca 0.00 -1.53 -0.03 0.00 -0.41 0.00 0.00 54.97 53.00 2f73 s GLU -6 Cb 0.00 -1.71 -0.00 0.00 -1.78 0.00 0.00 34.13 30.64 2f73 s GLU -6 CO 0.00 0.36 -0.08 -0.80 -0.49 0.00 0.00 175.26 174.25 2f73 s ASN -5 N -2.79 4.04 -0.16 -0.19 0.02 -1.26 -5.09 114.94 109.51 2f73 s ASN -5 Ca 0.21 -0.47 -0.05 0.00 -1.02 0.00 0.00 52.86 51.53 2f73 s ASN -5 Cb -0.07 -1.68 -0.03 0.00 0.02 0.00 0.00 41.25 39.49 2f73 s ASN -5 CO 0.10 -0.02 -0.00 -0.76 0.02 0.00 0.00 177.10 176.43 2f73 s LEU -4 N 1.43 3.45 -0.11 0.60 1.02 -1.26 -5.09 118.68 118.73 2f73 s LEU -4 Ca 0.05 -0.04 0.01 0.00 0.02 0.00 0.00 54.13 54.18 2f73 s LEU -4 Cb -0.14 -1.84 -0.02 0.00 0.02 0.00 0.00 46.19 44.21 2f73 s LEU -4 CO -0.06 0.19 -0.15 -0.31 0.02 0.00 0.00 176.35 176.05 2f73 s TYR -3 N 0.23 2.75 0.18 0.29 1.51 -1.26 -5.10 117.35 115.96 2f73 s TYR -3 Ca -0.00 -0.60 0.03 0.00 -1.01 0.00 0.00 57.07 55.49 2f73 s TYR -3 Cb -0.13 -1.78 -0.05 0.00 -0.11 0.00 0.00 41.96 39.89 2f73 s TYR -3 CO 0.02 -0.16 -0.03 -0.06 -1.11 0.00 0.00 175.55 174.21 2f73 s PHE -2 N 0.14 1.32 -0.00 2.71 0.40 -1.26 -5.16 117.98 116.13 2f73 s PHE -2 Ca -0.08 -0.91 -0.01 0.00 -0.60 0.00 0.00 56.93 55.34 2f73 s PHE -2 Cb -0.15 -0.73 -0.00 0.00 0.51 0.00 0.00 43.02 42.64 2f73 s PHE -2 CO 0.05 -0.07 0.01 -1.14 0.70 0.00 0.00 175.22 174.78 2f73 s GLN -1 N -3.85 0.10 0.38 0.44 0.74 -1.26 -5.14 119.66 111.08 2f73 s GLN -1 Ca 0.23 -0.12 0.04 0.00 0.05 0.00 0.00 55.36 55.55 2f73 s GLN -1 Cb 0.05 0.04 -0.05 0.00 1.10 0.00 0.00 33.01 34.15 2f73 s GLN -1 CO 0.04 -0.02 0.07 0.45 -0.55 0.00 0.00 175.29 175.28 2f73 s SER 0 N -0.35 2.79 -0.05 6.67 0.15 -1.26 -4.60 113.70 117.04 2f73 s SER 0 Ca -0.04 -1.49 -0.23 0.00 0.70 0.00 0.00 55.95 54.88 2f73 s SER 0 Cb -0.03 0.13 -0.25 0.00 -1.71 0.00 0.00 66.02 64.16 2f73 s SER 0 CO -0.00 -0.72 0.99 0.24 1.20 0.00 0.00 173.24 174.95 2f73 h MET 1 N 1.91 0.24 0.00 5.44 2.86 -1.61 -3.50 114.93 120.27 2f73 h MET 1 Ca -0.40 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 56.95 2f73 h MET 1 Cb 1.26 0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.01 2f73 h MET 1 CO 0.67 1.04 0.00 0.45 1.06 0.00 0.00 176.91 180.13 2f73 n SER 2 N -4.37 0.00 -0.08 1.22 2.88 -1.26 -5.01 113.62 107.00 2f73 n SER 2 Ca -0.11 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.56 2f73 n SER 2 Cb 0.61 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 64.35 2f73 n SER 2 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2f73 n PHE 3 N 0.07 0.00 -1.64 0.66 3.72 -1.26 -4.95 117.46 114.06 2f73 n PHE 3 Ca 0.00 0.00 -0.47 0.00 -0.05 0.00 0.00 57.45 56.93 2f73 n PHE 3 Cb 0.00 -0.20 -0.04 0.00 -0.94 0.00 0.00 39.48 38.30 2f73 n PHE 3 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2f73 n SER 4 N -1.22 2.46 0.00 4.37 7.64 -1.25 -4.48 113.62 121.14 2f73 n SER 4 Ca 0.08 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.08 2f73 n SER 4 Cb 0.34 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 2f73 n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2f73 n GLY 5 N 2.58 3.20 3.78 0.23 0.00 -0.08 -4.93 105.19 109.97 2f73 n GLY 5 Ca 0.15 -1.21 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 2f73 n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f73 s LYS 6 N -2.23 4.00 -0.17 1.61 3.01 -1.26 -0.76 119.74 123.94 2f73 s LYS 6 Ca 0.00 0.02 0.01 0.00 -1.01 0.00 0.00 55.97 54.99 2f73 s LYS 6 Cb 0.00 -3.34 0.01 0.00 -1.01 0.00 0.00 37.83 33.49 2f73 s LYS 6 CO 0.00 0.45 -0.18 0.71 0.51 0.00 0.00 175.35 176.83 2f73 s TYR 7 N -0.13 2.77 -0.25 3.18 1.51 0.82 -1.67 117.35 123.57 2f73 s TYR 7 Ca 0.15 -1.42 -0.23 0.00 -1.01 0.00 0.00 57.07 54.57 2f73 s TYR 7 Cb -0.13 -1.91 -0.01 0.00 -0.11 0.00 0.00 41.96 39.80 2f73 s TYR 7 CO 0.04 -0.69 0.76 -1.14 -1.11 0.00 0.00 175.55 173.41 2f73 s GLN 8 N 1.13 4.14 0.18 -0.62 2.00 0.30 -0.52 119.66 126.26 2f73 s GLN 8 Ca 0.01 0.78 -0.31 0.00 -2.00 0.00 0.00 55.36 53.84 2f73 s GLN 8 Cb -0.14 -3.65 -0.09 0.00 0.80 0.00 0.00 33.01 29.93 2f73 s GLN 8 CO -0.08 -0.50 1.40 -1.17 -0.50 0.00 0.00 175.29 174.45 2f73 s LEU 9 N 2.74 4.39 -0.01 3.68 2.96 0.69 -0.33 118.68 132.80 2f73 s LEU 9 Ca 0.32 2.46 0.00 0.00 -0.22 0.00 0.00 54.13 56.69 2f73 s LEU 9 Cb -0.15 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.93 2f73 s LEU 9 CO 0.08 -0.65 -0.01 0.00 -1.32 0.00 0.00 176.35 174.46 2f73 n GLN 10 N 3.17 0.45 -4.35 1.98 6.02 -0.26 -4.66 117.38 119.74 2f73 n GLN 10 Ca 0.09 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.87 2f73 n GLN 10 Cb 0.41 -1.02 -0.16 0.00 1.02 0.00 0.00 30.24 30.50 2f73 n GLN 10 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2f73 s SER 11 N -3.96 1.24 0.04 1.08 0.15 -0.81 -5.01 113.70 106.42 2f73 s SER 11 Ca -0.01 -0.19 0.03 0.00 0.70 0.00 0.00 55.95 56.48 2f73 s SER 11 Cb 0.00 -0.52 -0.02 0.00 -1.71 0.00 0.00 66.02 63.78 2f73 s SER 11 CO 0.02 0.01 -0.10 -1.58 1.20 0.00 0.00 173.24 172.78 2f73 s GLN 12 N 0.62 0.68 -0.04 5.44 0.74 -1.26 -0.18 119.66 125.66 2f73 s GLN 12 Ca -0.10 -0.69 -0.05 0.00 0.05 0.00 0.00 55.36 54.57 2f73 s GLN 12 Cb -0.13 -0.59 0.01 0.00 1.10 0.00 0.00 33.01 33.40 2f73 s GLN 12 CO 0.01 0.14 0.13 -1.21 -0.55 0.00 0.00 175.29 173.81 2f73 s GLU 13 N -1.21 0.23 -1.73 1.67 2.02 -0.33 -4.87 118.70 114.47 2f73 s GLU 13 Ca -0.03 0.05 0.00 0.00 0.02 0.00 0.00 54.97 55.01 2f73 s GLU 13 Cb -0.08 0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.25 2f73 s GLU 13 CO 0.01 -0.04 0.00 0.09 0.02 0.00 0.00 175.26 175.34 2f73 n ASN 14 N 2.66 -5.24 -0.19 -0.19 5.03 -1.26 -2.94 115.26 113.13 2f73 n ASN 14 Ca -0.15 0.18 -0.03 0.00 0.87 0.00 0.00 54.58 55.46 2f73 n ASN 14 Cb 0.58 -4.47 0.08 0.00 -1.02 0.00 0.00 39.78 34.94 2f73 n ASN 14 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 2f73 h PHE 15 N 0.00 0.53 0.25 3.10 3.57 -1.92 -2.29 116.94 120.18 2f73 h PHE 15 Ca -0.42 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.09 2f73 h PHE 15 Cb 1.29 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.88 2f73 h PHE 15 CO 0.57 0.24 -0.12 0.93 -2.23 0.00 0.00 178.31 177.70 2f73 h GLU 16 N 0.54 -0.32 0.32 1.11 5.08 -1.92 -0.87 114.58 118.53 2f73 h GLU 16 Ca 0.26 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2f73 h GLU 16 Cb 0.19 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 2f73 h GLU 16 CO -0.19 -0.05 -0.52 0.00 -1.00 0.00 0.00 179.01 177.25 2f73 h ALA 17 N 0.10 -1.07 -0.57 3.43 0.00 -1.94 -0.69 119.26 118.53 2f73 h ALA 17 Ca -0.03 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.83 2f73 h ALA 17 Cb 0.42 0.81 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 2f73 h ALA 17 CO 0.06 -1.15 0.06 0.35 0.00 0.00 0.00 179.25 178.56 2f73 h PHE 18 N -0.89 0.08 0.00 0.00 3.57 -1.48 -0.02 116.94 118.20 2f73 h PHE 18 Ca -0.03 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 2f73 h PHE 18 Cb 0.82 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 2f73 h PHE 18 CO -0.35 -0.08 -0.36 0.52 -2.23 0.00 0.00 178.31 175.80 2f73 h MET 19 N 0.18 0.00 -0.39 1.11 2.86 -0.84 -1.49 114.93 116.36 2f73 h MET 19 Ca 0.29 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.87 2f73 h MET 19 Cb 0.45 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 2f73 h MET 19 CO -0.43 0.36 -0.01 0.87 1.06 0.00 0.00 176.91 178.76 2f73 h LYS 20 N 0.00 0.70 -0.66 1.72 6.56 -0.14 -0.12 116.57 124.63 2f73 h LYS 20 Ca -0.00 -0.23 -0.04 0.00 -1.06 0.00 0.00 60.65 59.31 2f73 h LYS 20 Cb 0.68 -0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.25 2f73 h LYS 20 CO 0.05 0.80 0.24 0.00 -2.06 0.00 0.00 179.45 178.48 2f73 h ALA 21 N 0.88 0.86 -0.10 3.86 0.00 -0.34 -3.09 119.26 121.33 2f73 h ALA 21 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2f73 h ALA 21 Cb 0.49 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2f73 h ALA 21 CO 0.02 0.50 0.00 0.44 0.00 0.00 0.00 179.25 180.21 2f73 n ILE 22 N -4.38 0.13 -0.24 0.00 -5.35 -0.63 -4.90 119.36 103.98 2f73 n ILE 22 Ca 0.05 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 2f73 n ILE 22 Cb 0.19 0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.24 2f73 n ILE 22 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2f73 n GLY 23 N 1.02 0.81 3.66 3.28 0.00 -1.17 -4.96 105.19 107.83 2f73 n GLY 23 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2f73 n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2f73 s LEU 24 N 0.00 4.34 0.11 0.99 1.98 -0.06 -4.89 118.68 121.15 2f73 s LEU 24 Ca 0.00 2.45 -0.35 0.00 -2.89 0.00 0.00 54.13 53.34 2f73 s LEU 24 Cb 0.00 -3.53 -0.17 0.00 0.66 0.00 0.00 46.19 43.15 2f73 s LEU 24 CO 0.00 -1.04 1.18 -2.65 -1.89 0.00 0.00 176.35 171.94 2f73 n PRO 25 N 7.43 0.86 0.08 0.98 -0.02 -1.26 -4.62 135.00 138.45 2f73 n PRO 25 Ca 0.19 0.31 0.07 0.00 -2.02 0.00 0.00 63.50 62.05 2f73 n PRO 25 Cb 0.42 -1.84 0.34 0.00 -0.02 0.00 0.00 33.50 32.41 2f73 n PRO 25 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2f73 n GLU 26 N 1.96 0.08 -0.03 -0.52 4.71 -1.26 -1.67 120.64 123.91 2f73 n GLU 26 Ca 0.17 0.47 -0.15 0.00 -0.01 0.00 0.00 57.16 57.64 2f73 n GLU 26 Cb 0.19 -1.71 -0.12 0.00 -1.01 0.00 0.00 31.44 28.79 2f73 n GLU 26 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 2f73 h GLU 27 N 0.00 0.12 0.50 3.49 4.57 -2.00 -3.15 114.58 118.10 2f73 h GLU 27 Ca 0.00 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.02 2f73 h GLU 27 Cb 0.14 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2f73 h GLU 27 CO 0.00 0.91 -0.30 -0.07 -1.18 0.00 0.00 179.01 178.37 2f73 h LEU 28 N -0.61 -0.76 -0.41 1.64 3.38 -1.67 -3.00 115.31 113.88 2f73 h LEU 28 Ca -0.03 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.05 2f73 h LEU 28 Cb 0.99 0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.89 2f73 h LEU 28 CO 0.04 -0.47 -0.16 -0.38 0.09 0.00 0.00 178.44 177.56 2f73 n ILE 29 N -4.24 -0.21 0.39 1.22 5.41 -0.98 0.28 119.36 121.23 2f73 n ILE 29 Ca -0.09 0.96 0.13 0.00 1.00 0.00 0.00 62.75 64.75 2f73 n ILE 29 Cb 0.31 -1.27 0.52 0.00 -0.71 0.00 0.00 39.64 38.49 2f73 n ILE 29 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 2f73 h GLN 30 N 0.00 0.00 0.00 0.38 1.08 -1.48 1.32 115.11 116.40 2f73 h GLN 30 Ca 0.15 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 2f73 h GLN 30 Cb 0.25 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.68 2f73 h GLN 30 CO -0.41 0.00 -0.06 0.87 -0.95 0.00 0.00 178.83 178.28 2f73 h LYS 31 N 0.00 0.00 0.00 1.46 1.57 0.43 -3.36 116.57 116.66 2f73 h LYS 31 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2f73 h LYS 31 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2f73 h LYS 31 CO 0.00 0.44 0.00 0.41 -0.57 0.00 0.00 179.45 179.73 2f73 n GLY 32 N 1.69 -1.58 0.26 3.86 0.00 -0.59 -4.37 105.19 104.46 2f73 n GLY 32 Ca -0.05 0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.02 2f73 n GLY 32 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2f73 n LYS 33 N -2.29 -0.08 -0.63 1.61 4.81 0.45 -2.66 118.16 119.38 2f73 n LYS 33 Ca 0.04 1.10 0.06 0.00 -0.87 0.00 0.00 58.31 58.64 2f73 n LYS 33 Cb 0.37 -1.64 0.11 0.00 0.02 0.00 0.00 35.03 33.89 2f73 n LYS 33 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2f73 n ASP 34 N -5.13 1.41 -4.71 3.14 5.68 -1.26 -4.95 116.55 110.73 2f73 n ASP 34 Ca 0.11 -2.91 -0.42 0.00 -0.50 0.00 0.00 54.79 51.06 2f73 n ASP 34 Cb 0.34 -0.39 -0.03 0.00 -1.14 0.00 0.00 41.12 39.90 2f73 n ASP 34 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 2f73 s ILE 35 N -1.84 4.25 -0.33 2.12 1.01 -1.09 -5.00 121.20 120.32 2f73 s ILE 35 Ca 0.28 1.61 -0.00 0.00 0.00 0.00 0.00 60.65 62.54 2f73 s ILE 35 Cb 0.28 -4.03 0.07 0.00 0.01 0.00 0.00 42.46 38.79 2f73 s ILE 35 CO -0.05 0.11 0.04 -0.54 0.00 0.00 0.00 174.94 174.50 2f73 s LYS 36 N 1.17 2.13 0.00 2.79 3.01 -1.26 -4.76 119.74 122.83 2f73 s LYS 36 Ca 0.57 -1.52 0.00 0.00 -1.01 0.00 0.00 55.97 54.01 2f73 s LYS 36 Cb -0.27 -3.23 0.00 0.00 -1.01 0.00 0.00 37.83 33.32 2f73 s LYS 36 CO 0.28 -0.77 0.00 0.41 0.51 0.00 0.00 175.35 175.78 2f73 n GLY 37 N 4.52 5.01 3.28 -3.33 0.00 -1.26 -4.78 105.19 108.63 2f73 n GLY 37 Ca -0.08 -1.95 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 2f73 n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f73 s VAL 38 N 1.77 2.31 0.28 1.61 1.01 -1.26 -0.22 120.40 125.90 2f73 s VAL 38 Ca 0.00 -0.95 0.11 0.00 0.00 0.00 0.00 61.98 61.14 2f73 s VAL 38 Cb 0.00 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 2f73 s VAL 38 CO 0.00 0.56 -0.10 -0.44 0.00 0.00 0.00 175.10 175.12 2f73 s SER 39 N 0.10 4.02 0.00 3.32 0.01 0.33 -4.28 113.70 117.20 2f73 s SER 39 Ca -0.10 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.28 2f73 s SER 39 Cb -0.16 -0.54 -0.00 0.00 0.21 0.00 0.00 66.02 65.53 2f73 s SER 39 CO 0.06 -0.00 -0.01 -0.70 0.41 0.00 0.00 173.24 173.00 2f73 s GLU 40 N -3.60 0.07 -0.09 12.44 2.12 -0.79 0.29 118.70 129.14 2f73 s GLU 40 Ca 0.31 -0.10 0.03 0.00 0.36 0.00 0.00 54.97 55.57 2f73 s GLU 40 Cb -0.05 -0.01 0.01 0.00 0.26 0.00 0.00 34.13 34.33 2f73 s GLU 40 CO 0.17 0.00 -0.19 0.42 -0.54 0.00 0.00 175.26 175.13 2f73 s ILE 41 N -0.22 1.64 -0.40 -3.70 -1.09 0.07 -2.04 121.20 115.47 2f73 s ILE 41 Ca -0.02 -0.77 0.04 0.00 -2.23 0.00 0.00 60.65 57.67 2f73 s ILE 41 Cb -0.02 -1.45 0.11 0.00 -1.58 0.00 0.00 42.46 39.53 2f73 s ILE 41 CO -0.00 0.47 0.12 -0.69 -1.23 0.00 0.00 174.94 173.61 2f73 s VAL 42 N 0.52 2.33 -0.14 2.92 1.01 0.12 -0.90 120.40 126.27 2f73 s VAL 42 Ca -0.16 -2.64 -0.11 0.00 0.00 0.00 0.00 61.98 59.07 2f73 s VAL 42 Cb -0.17 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.47 2f73 s VAL 42 CO 0.06 -0.67 0.23 -1.58 0.00 0.00 0.00 175.10 173.15 2f73 s GLN 43 N 0.53 3.98 -0.43 2.72 0.74 -1.26 -2.01 119.66 123.93 2f73 s GLN 43 Ca 0.13 0.01 0.04 0.00 0.05 0.00 0.00 55.36 55.59 2f73 s GLN 43 Cb -0.21 -3.33 0.17 0.00 1.10 0.00 0.00 33.01 30.73 2f73 s GLN 43 CO -0.06 0.46 0.34 -0.80 -0.55 0.00 0.00 175.29 174.68 2f73 s ASN 44 N -0.16 1.90 0.96 6.67 0.02 -0.26 -4.78 114.94 119.28 2f73 s ASN 44 Ca 0.15 -3.06 0.00 0.00 -1.02 0.00 0.00 52.86 48.94 2f73 s ASN 44 Cb -0.13 -0.55 0.00 0.00 0.02 0.00 0.00 41.25 40.59 2f73 s ASN 44 CO 0.04 -0.18 0.00 0.61 0.02 0.00 0.00 177.10 177.59 2f73 n GLY 45 N 2.88 0.87 0.61 0.66 0.00 -1.26 -2.68 105.19 106.26 2f73 n GLY 45 Ca 0.27 -0.66 0.11 0.00 0.00 0.00 0.00 46.02 45.74 2f73 n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2f73 n LYS 46 N 11.47 1.81 -4.01 1.61 5.02 -1.26 -4.85 118.16 127.95 2f73 n LYS 46 Ca 0.00 -1.21 -0.35 0.00 -2.02 0.00 0.00 58.31 54.73 2f73 n LYS 46 Cb 0.00 -1.41 -0.09 0.00 -0.02 0.00 0.00 35.03 33.51 2f73 n LYS 46 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2f73 s HIS 47 N -1.78 3.29 -0.00 2.13 3.76 -1.09 -0.65 115.29 120.93 2f73 s HIS 47 Ca 0.33 0.14 0.04 0.00 -0.15 0.00 0.00 55.06 55.42 2f73 s HIS 47 Cb 0.18 -2.04 -0.01 0.00 1.11 0.00 0.00 32.58 31.82 2f73 s HIS 47 CO 0.27 0.25 -0.12 -0.06 -0.85 0.00 0.00 174.74 174.23 2f73 s PHE 48 N 0.11 1.06 -0.11 1.40 0.40 0.20 -1.10 117.98 119.95 2f73 s PHE 48 Ca 0.05 -0.22 0.01 0.00 -0.60 0.00 0.00 56.93 56.17 2f73 s PHE 48 Cb -0.12 -0.68 0.02 0.00 0.51 0.00 0.00 43.02 42.75 2f73 s PHE 48 CO 0.00 -0.01 -0.11 0.21 0.70 0.00 0.00 175.22 176.02 2f73 s LYS 49 N -0.40 1.77 -0.03 0.44 2.20 -0.85 -0.41 119.74 122.46 2f73 s LYS 49 Ca 0.04 -0.37 -0.02 0.00 -0.36 0.00 0.00 55.97 55.26 2f73 s LYS 49 Cb -0.05 -1.67 0.01 0.00 -1.51 0.00 0.00 37.83 34.61 2f73 s LYS 49 CO -0.00 -0.17 0.06 -0.59 -0.36 0.00 0.00 175.35 174.29 2f73 s PHE 50 N 1.36 -0.06 -0.27 4.03 -0.71 0.03 0.15 117.98 122.51 2f73 s PHE 50 Ca -0.01 0.18 -0.02 0.00 -1.04 0.00 0.00 56.93 56.05 2f73 s PHE 50 Cb -0.14 -0.02 0.03 0.00 -1.21 0.00 0.00 43.02 41.69 2f73 s PHE 50 CO -0.05 -0.05 -0.04 0.99 -1.34 0.00 0.00 175.22 174.73 2f73 s THR 51 N 0.25 2.97 -0.12 -4.49 2.01 -0.86 -0.54 115.64 114.85 2f73 s THR 51 Ca -0.02 -1.11 -0.03 0.00 0.31 0.00 0.00 61.69 60.84 2f73 s THR 51 Cb -0.03 -2.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 2f73 s THR 51 CO -0.01 0.10 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.39 2f73 s ILE 52 N 1.31 4.26 -0.49 1.82 1.01 -0.31 -1.89 121.20 126.91 2f73 s ILE 52 Ca -0.01 -0.25 -0.12 0.00 0.00 0.00 0.00 60.65 60.26 2f73 s ILE 52 Cb -0.18 -2.83 0.11 0.00 0.01 0.00 0.00 42.46 39.58 2f73 s ILE 52 CO -0.03 0.56 0.40 0.42 0.00 0.00 0.00 174.94 176.28 2f73 s THR 53 N -0.39 4.71 -0.58 2.92 -4.23 -1.26 0.04 115.64 116.84 2f73 s THR 53 Ca 0.07 -1.53 -0.05 0.00 -1.18 0.00 0.00 61.69 59.00 2f73 s THR 53 Cb -0.12 -4.00 0.15 0.00 1.34 0.00 0.00 72.50 69.87 2f73 s THR 53 CO 0.02 -0.75 0.42 0.00 -0.54 0.00 0.00 174.62 173.77 2f73 s ALA 54 N 1.49 3.53 0.00 3.99 0.00 -0.08 -4.79 121.76 125.90 2f73 s ALA 54 Ca 0.04 -3.01 0.00 0.00 0.00 0.00 0.00 51.96 48.99 2f73 s ALA 54 Cb -0.27 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.11 2f73 s ALA 54 CO 0.02 -2.03 0.00 0.41 0.00 0.00 0.00 175.76 174.16 2f73 n GLY 55 N 3.99 0.74 0.92 0.00 0.00 -1.26 -3.50 105.19 106.08 2f73 n GLY 55 Ca 0.04 -0.67 0.07 0.00 0.00 0.00 0.00 46.02 45.45 2f73 n GLY 55 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2f73 n SER 56 N 7.16 2.66 -4.01 1.61 2.88 -1.26 -4.80 113.62 117.85 2f73 n SER 56 Ca 0.00 -2.11 -0.13 0.00 -1.33 0.00 0.00 58.87 55.30 2f73 n SER 56 Cb 0.00 -0.36 -0.12 0.00 -0.75 0.00 0.00 64.21 62.98 2f73 n SER 56 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2f73 s LYS 57 N -1.54 0.42 -0.15 -1.46 2.20 -1.23 -5.05 119.74 112.94 2f73 s LYS 57 Ca 0.30 -0.55 -0.06 0.00 -0.36 0.00 0.00 55.97 55.30 2f73 s LYS 57 Cb 0.17 -0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.23 2f73 s LYS 57 CO 0.18 0.04 0.06 0.08 -0.36 0.00 0.00 175.35 175.35 2f73 s VAL 58 N -1.02 4.75 -0.08 4.02 1.01 -1.26 -0.91 120.40 126.92 2f73 s VAL 58 Ca -0.08 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2f73 s VAL 58 Cb -0.07 -3.10 0.02 0.00 0.00 0.00 0.00 36.38 33.22 2f73 s VAL 58 CO -0.00 0.52 -0.12 -0.63 0.00 0.00 0.00 175.10 174.87 2f73 s ILE 59 N -0.14 1.19 -0.19 2.22 1.01 0.11 -4.97 121.20 120.43 2f73 s ILE 59 Ca 0.07 -0.48 -0.08 0.00 0.00 0.00 0.00 60.65 60.16 2f73 s ILE 59 Cb -0.12 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 2f73 s ILE 59 CO 0.01 0.38 0.08 -1.10 0.00 0.00 0.00 174.94 174.31 2f73 s GLN 60 N 0.91 4.03 0.19 2.79 -0.21 -1.26 -1.16 119.66 124.94 2f73 s GLN 60 Ca -0.10 -0.31 -0.00 0.00 0.02 0.00 0.00 55.36 54.97 2f73 s GLN 60 Cb -0.15 -3.28 -0.04 0.00 1.00 0.00 0.00 33.01 30.54 2f73 s GLN 60 CO 0.01 0.26 0.09 -0.80 -2.12 0.00 0.00 175.29 172.73 2f73 s ASN 61 N 0.41 0.50 -0.28 5.90 0.01 0.29 -4.78 114.94 116.99 2f73 s ASN 61 Ca 0.04 -1.31 -0.19 0.00 -0.71 0.00 0.00 52.86 50.69 2f73 s ASN 61 Cb -0.12 0.29 0.12 0.00 0.41 0.00 0.00 41.25 41.95 2f73 s ASN 61 CO -0.00 -0.76 0.92 -1.83 -1.51 0.00 0.00 177.10 173.92 2f73 s GLU 62 N -4.08 0.51 0.33 -0.60 -1.05 -1.26 -0.79 118.70 111.76 2f73 s GLU 62 Ca 0.33 0.77 -0.08 0.00 -0.15 0.00 0.00 54.97 55.84 2f73 s GLU 62 Cb 0.07 0.16 0.01 0.00 -0.44 0.00 0.00 34.13 33.94 2f73 s GLU 62 CO 0.09 -0.09 0.54 -0.59 0.95 0.00 0.00 175.26 176.16 2f73 s PHE 63 N 0.98 0.68 -0.03 4.83 -0.12 0.45 -4.86 117.98 119.91 2f73 s PHE 63 Ca -0.05 -1.04 0.05 0.00 -0.05 0.00 0.00 56.93 55.85 2f73 s PHE 63 Cb -0.04 0.18 -0.01 0.00 -0.63 0.00 0.00 43.02 42.52 2f73 s PHE 63 CO -0.12 -1.19 -0.18 0.99 -0.05 0.00 0.00 175.22 174.67 2f73 s THR 64 N -3.16 1.44 0.34 -4.49 2.01 -1.25 0.60 115.64 111.12 2f73 s THR 64 Ca 0.25 -0.75 -0.29 0.00 0.31 0.00 0.00 61.69 61.21 2f73 s THR 64 Cb -0.01 -1.22 -0.11 0.00 0.01 0.00 0.00 72.50 71.17 2f73 s THR 64 CO 0.15 0.41 1.43 -0.69 -0.69 0.00 0.00 174.62 175.24 2f73 s VAL 65 N -0.21 2.34 0.00 3.82 1.01 0.17 -2.59 120.40 124.95 2f73 s VAL 65 Ca 0.02 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.33 2f73 s VAL 65 Cb -0.09 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2f73 s VAL 65 CO 0.01 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.79 2f73 n GLY 66 N 0.91 2.81 3.85 4.51 0.00 -0.25 -4.99 105.19 112.03 2f73 n GLY 66 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 2f73 n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2f73 s GLU 67 N 0.00 3.82 -0.11 1.61 2.12 -1.07 -4.92 118.70 120.15 2f73 s GLU 67 Ca 0.00 0.30 -0.30 0.00 0.36 0.00 0.00 54.97 55.33 2f73 s GLU 67 Cb 0.00 -3.18 -0.02 0.00 0.26 0.00 0.00 34.13 31.19 2f73 s GLU 67 CO 0.00 0.68 1.21 -2.00 -0.54 0.00 0.00 175.26 174.61 2f73 s GLU 68 N -1.22 4.30 0.14 4.30 2.12 -1.26 -4.34 118.70 122.74 2f73 s GLU 68 Ca 0.24 1.64 0.05 0.00 0.36 0.00 0.00 54.97 57.26 2f73 s GLU 68 Cb -0.16 -3.64 -0.04 0.00 0.26 0.00 0.00 34.13 30.55 2f73 s GLU 68 CO 0.13 -0.55 -0.11 0.00 -0.54 0.00 0.00 175.26 174.19 2f73 s GLU 70 N -3.54 4.28 -0.06 0.00 2.12 -1.25 -1.00 118.70 119.25 2f73 s GLU 70 Ca 0.15 0.63 0.03 0.00 0.36 0.00 0.00 54.97 56.13 2f73 s GLU 70 Cb 0.01 -3.52 0.01 0.00 0.26 0.00 0.00 34.13 30.89 2f73 s GLU 70 CO 0.01 -0.09 -0.13 -0.51 -0.54 0.00 0.00 175.26 173.99 2f73 s LEU 71 N 1.41 1.71 -0.01 2.70 1.43 0.18 -4.82 118.68 121.28 2f73 s LEU 71 Ca 0.30 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.78 2f73 s LEU 71 Cb -0.16 -0.87 -0.05 0.00 0.03 0.00 0.00 46.19 45.14 2f73 s LEU 71 CO 0.12 0.05 1.36 -0.70 0.23 0.00 0.00 176.35 177.42 2f73 s GLU 72 N 0.57 4.30 0.82 1.70 2.12 -1.26 -0.30 118.70 126.64 2f73 s GLU 72 Ca -0.14 1.91 -0.13 0.00 0.36 0.00 0.00 54.97 56.97 2f73 s GLU 72 Cb -0.15 -3.57 0.19 0.00 0.26 0.00 0.00 34.13 30.86 2f73 s GLU 72 CO 0.04 -0.55 1.12 0.25 -0.54 0.00 0.00 175.26 175.58 2f73 n THR 73 N 4.65 0.00 0.30 -1.70 -2.24 0.56 -4.90 114.28 110.96 2f73 n THR 73 Ca 0.13 -0.86 0.16 0.00 -2.27 0.00 0.00 64.05 61.21 2f73 n THR 73 Cb 0.44 -1.55 0.75 0.00 -2.10 0.00 0.00 70.33 67.87 2f73 n THR 73 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 2f73 h MET 74 N 0.00 0.00 0.01 -0.78 0.00 -1.94 -2.83 114.93 109.40 2f73 h MET 74 Ca -0.36 0.00 -0.37 0.00 0.00 0.00 0.00 59.70 58.97 2f73 h MET 74 Cb 1.01 0.00 -0.05 0.00 0.00 0.00 0.00 31.60 32.56 2f73 h MET 74 CO 0.26 0.00 -2.05 0.25 0.00 0.00 0.00 176.91 175.37 2f73 n THR 75 N -2.74 1.55 0.00 2.22 -2.24 -1.26 -5.02 114.28 106.80 2f73 n THR 75 Ca -0.00 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2f73 n THR 75 Cb 0.18 -1.86 0.00 0.00 -2.10 0.00 0.00 70.33 66.55 2f73 n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f73 n GLY 76 N 1.51 0.64 3.76 3.38 0.00 -1.07 -5.12 105.19 108.29 2f73 n GLY 76 Ca -0.44 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 2f73 n GLY 76 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2f73 s GLU 77 N 0.00 2.97 -0.22 1.61 -1.05 -1.26 -4.55 118.70 116.19 2f73 s GLU 77 Ca 0.00 1.63 -0.09 0.00 -0.15 0.00 0.00 54.97 56.36 2f73 s GLU 77 Cb 0.00 -1.95 -0.04 0.00 -0.44 0.00 0.00 34.13 31.70 2f73 s GLU 77 CO 0.00 -1.16 0.10 0.15 0.95 0.00 0.00 175.26 175.30 2f73 s LYS 78 N -3.59 3.93 0.31 -4.83 1.02 -1.26 -0.32 119.74 115.00 2f73 s LYS 78 Ca 0.73 -0.35 0.10 0.00 0.02 0.00 0.00 55.97 56.46 2f73 s LYS 78 Cb -0.25 -3.38 -0.05 0.00 -0.52 0.00 0.00 37.83 33.63 2f73 s LYS 78 CO 0.34 0.07 -0.02 0.14 -0.92 0.00 0.00 175.35 174.97 2f73 s VAL 79 N 0.97 2.90 -0.21 3.17 -7.23 0.58 -4.84 120.40 115.75 2f73 s VAL 79 Ca 0.05 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.13 2f73 s VAL 79 Cb -0.14 -2.75 -0.05 0.00 0.56 0.00 0.00 36.38 34.01 2f73 s VAL 79 CO 0.03 -0.29 0.11 -0.75 -0.31 0.00 0.00 175.10 173.90 2f73 s LYS 80 N -3.68 4.05 0.03 4.82 2.47 -1.26 0.49 119.74 126.66 2f73 s LYS 80 Ca 0.33 -0.29 -0.27 0.00 -1.56 0.00 0.00 55.97 54.17 2f73 s LYS 80 Cb -0.03 -3.38 0.09 0.00 -1.46 0.00 0.00 37.83 33.05 2f73 s LYS 80 CO 0.19 0.19 0.82 -0.08 0.16 0.00 0.00 175.35 176.62 2f73 s THR 81 N 0.66 0.00 -0.20 3.43 -1.32 -0.17 -4.95 115.64 113.09 2f73 s THR 81 Ca 0.06 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.50 2f73 s THR 81 Cb -0.12 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.85 2f73 s THR 81 CO 0.01 0.00 -0.02 -0.69 -2.21 0.00 0.00 174.62 171.71 2f73 s VAL 82 N -3.19 3.74 0.00 5.08 1.01 -1.26 0.12 120.40 125.90 2f73 s VAL 82 Ca 0.04 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 2f73 s VAL 82 Cb -0.01 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 2f73 s VAL 82 CO -0.09 0.44 0.35 -0.69 0.00 0.00 0.00 175.10 175.11 2f73 s VAL 83 N 1.03 5.14 0.29 2.92 1.01 -1.26 -4.61 120.40 124.92 2f73 s VAL 83 Ca 0.01 0.58 0.11 0.00 0.00 0.00 0.00 61.98 62.69 2f73 s VAL 83 Cb -0.14 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 2f73 s VAL 83 CO 0.01 0.49 -0.13 -1.58 0.00 0.00 0.00 175.10 173.90 2f73 s GLN 84 N -1.34 1.86 -0.15 2.72 2.00 0.89 -1.09 119.66 124.54 2f73 s GLN 84 Ca 0.25 -1.72 -0.01 0.00 -2.00 0.00 0.00 55.36 51.87 2f73 s GLN 84 Cb -0.15 -1.85 -0.02 0.00 0.80 0.00 0.00 33.01 31.79 2f73 s GLN 84 CO 0.13 0.29 -0.10 -1.17 -0.50 0.00 0.00 175.29 173.94 2f73 s LEU 85 N -3.58 2.85 -0.18 3.68 2.96 -1.26 -1.39 118.68 121.77 2f73 s LEU 85 Ca 0.31 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 2f73 s LEU 85 Cb -0.04 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 45.01 2f73 s LEU 85 CO 0.17 0.14 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.53 2f73 s GLU 86 N 0.52 3.02 3.62 1.98 2.02 -0.61 -5.01 118.70 124.25 2f73 s GLU 86 Ca -0.07 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.10 2f73 s GLU 86 Cb -0.15 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.49 2f73 s GLU 86 CO 0.04 -0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.53 2f73 n GLY 87 N 4.59 0.10 0.03 -1.39 0.00 -1.26 -2.62 105.19 104.64 2f73 n GLY 87 Ca -0.21 -0.99 0.01 0.00 0.00 0.00 0.00 46.02 44.83 2f73 n GLY 87 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2f73 n ASP 88 N 2.41 1.18 -0.08 1.61 5.68 -1.26 -4.78 116.55 121.32 2f73 n ASP 88 Ca 0.00 -1.72 0.00 0.00 -0.50 0.00 0.00 54.79 52.57 2f73 n ASP 88 Cb 0.00 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 2f73 n ASP 88 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2f73 n ASN 89 N -0.36 0.00 -4.08 -1.12 6.94 -1.26 -1.33 115.26 114.05 2f73 n ASN 89 Ca 0.01 -1.11 -0.28 0.00 -0.02 0.00 0.00 54.58 53.18 2f73 n ASN 89 Cb 0.40 -0.02 -0.17 0.00 -2.36 0.00 0.00 39.78 37.63 2f73 n ASN 89 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2f73 s LYS 90 N 0.00 2.25 -0.24 -3.83 1.02 -1.08 -0.82 119.74 117.04 2f73 s LYS 90 Ca 0.00 -0.59 -0.06 0.00 0.02 0.00 0.00 55.97 55.34 2f73 s LYS 90 Cb 0.00 -1.84 -0.02 0.00 -0.52 0.00 0.00 37.83 35.44 2f73 s LYS 90 CO 0.00 0.01 0.04 -0.51 -0.92 0.00 0.00 175.35 173.97 2f73 s LEU 91 N 0.78 3.30 0.00 3.17 1.43 0.14 -1.57 118.68 125.93 2f73 s LEU 91 Ca -0.11 -0.25 0.04 0.00 -1.03 0.00 0.00 54.13 52.78 2f73 s LEU 91 Cb -0.16 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 2f73 s LEU 91 CO 0.02 -0.02 -0.13 -0.69 0.23 0.00 0.00 176.35 175.76 2f73 s VAL 92 N 1.53 1.01 -0.01 -1.59 1.01 -0.48 -0.08 120.40 121.79 2f73 s VAL 92 Ca 0.06 -0.67 -0.28 0.00 0.00 0.00 0.00 61.98 61.09 2f73 s VAL 92 Cb -0.15 -0.87 0.07 0.00 0.00 0.00 0.00 36.38 35.43 2f73 s VAL 92 CO 0.02 0.19 0.64 0.28 0.00 0.00 0.00 175.10 176.23 2f73 s THR 93 N -0.46 0.00 -0.04 3.92 -1.32 -0.53 -0.08 115.64 117.14 2f73 s THR 93 Ca 0.04 -0.04 0.03 0.00 -1.21 0.00 0.00 61.69 60.50 2f73 s THR 93 Cb -0.06 -0.98 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 2f73 s THR 93 CO 0.00 -0.02 -0.12 -0.89 -2.21 0.00 0.00 174.62 171.38 2f73 s THR 94 N -1.73 1.04 -0.11 5.08 2.01 -1.26 -1.08 115.64 119.60 2f73 s THR 94 Ca -0.09 -0.48 -0.30 0.00 0.31 0.00 0.00 61.69 61.14 2f73 s THR 94 Cb -0.00 -0.92 0.08 0.00 0.01 0.00 0.00 72.50 71.66 2f73 s THR 94 CO 0.05 0.32 0.72 0.72 -0.69 0.00 0.00 174.62 175.74 2f73 s PHE 95 N 0.29 -0.65 -0.82 4.92 -0.12 -0.78 -4.83 117.98 115.99 2f73 s PHE 95 Ca -0.06 1.23 -0.02 0.00 -0.05 0.00 0.00 56.93 58.02 2f73 s PHE 95 Cb -0.11 0.39 0.02 0.00 -0.63 0.00 0.00 43.02 42.68 2f73 s PHE 95 CO 0.02 -0.53 0.11 1.63 -0.05 0.00 0.00 175.22 176.39 2f73 n LYS 96 N 1.25 -2.63 -1.00 1.99 5.02 -1.26 -0.26 118.16 121.27 2f73 n LYS 96 Ca -0.17 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 2f73 n LYS 96 Cb 0.57 -4.98 0.00 0.00 -0.02 0.00 0.00 35.03 30.60 2f73 n LYS 96 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2f73 n ASN 97 N -1.83 -3.37 -4.61 4.39 4.13 -1.26 -5.02 115.26 107.70 2f73 n ASN 97 Ca -0.07 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.84 2f73 n ASN 97 Cb 0.56 -0.93 -0.10 0.00 -1.54 0.00 0.00 39.78 37.77 2f73 n ASN 97 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2f73 s ILE 98 N -1.89 4.37 -0.41 2.41 1.01 0.64 -4.34 121.20 122.98 2f73 s ILE 98 Ca 0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.37 2f73 s ILE 98 Cb 0.00 -2.92 0.08 0.00 0.01 0.00 0.00 42.46 39.63 2f73 s ILE 98 CO 0.00 0.51 0.25 -0.75 0.00 0.00 0.00 174.94 174.95 2f73 s LYS 99 N -0.00 2.58 -0.24 2.79 2.47 -0.95 -1.87 119.74 124.52 2f73 s LYS 99 Ca 0.03 -1.46 -0.08 0.00 -1.56 0.00 0.00 55.97 52.90 2f73 s LYS 99 Cb -0.13 -3.76 -0.04 0.00 -1.46 0.00 0.00 37.83 32.45 2f73 s LYS 99 CO 0.02 -0.94 0.10 0.45 0.16 0.00 0.00 175.35 175.13 2f73 s SER 100 N 2.07 5.50 -0.08 1.43 0.15 -0.24 -2.02 113.70 120.51 2f73 s SER 100 Ca 0.03 -0.08 0.04 0.00 0.70 0.00 0.00 55.95 56.64 2f73 s SER 100 Cb -0.23 -1.99 -0.00 0.00 -1.71 0.00 0.00 66.02 62.09 2f73 s SER 100 CO 0.02 0.02 -0.22 -0.69 1.20 0.00 0.00 173.24 173.56 2f73 s VAL 101 N 1.33 1.89 -0.28 4.45 1.01 -0.88 -1.45 120.40 126.46 2f73 s VAL 101 Ca 0.06 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.13 2f73 s VAL 101 Cb -0.15 -1.62 0.07 0.00 0.00 0.00 0.00 36.38 34.68 2f73 s VAL 101 CO 0.05 0.52 -0.07 -0.89 0.00 0.00 0.00 175.10 174.72 2f73 s THR 102 N 0.20 2.23 -0.11 3.92 2.01 0.89 -0.37 115.64 124.40 2f73 s THR 102 Ca -0.12 -1.81 -0.01 0.00 0.31 0.00 0.00 61.69 60.06 2f73 s THR 102 Cb -0.16 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.93 2f73 s THR 102 CO 0.06 -0.17 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.04 2f73 s GLU 103 N 1.06 3.22 -0.16 4.92 2.12 -0.27 -0.68 118.70 128.91 2f73 s GLU 103 Ca -0.04 -0.58 -0.03 0.00 0.36 0.00 0.00 54.97 54.68 2f73 s GLU 103 Cb -0.20 -2.71 -0.02 0.00 0.26 0.00 0.00 34.13 31.46 2f73 s GLU 103 CO -0.06 0.41 -0.06 -1.17 -0.54 0.00 0.00 175.26 173.84 2f73 s LEU 104 N -0.11 3.10 -0.40 2.70 0.20 -0.00 -1.27 118.68 122.90 2f73 s LEU 104 Ca 0.01 -0.20 0.01 0.00 0.69 0.00 0.00 54.13 54.64 2f73 s LEU 104 Cb -0.13 -1.74 0.13 0.00 -0.43 0.00 0.00 46.19 44.02 2f73 s LEU 104 CO 0.03 0.15 0.22 0.20 -0.29 0.00 0.00 176.35 176.65 2f73 s ASN 105 N 0.50 3.41 0.80 3.68 0.01 -0.23 -4.81 114.94 118.30 2f73 s ASN 105 Ca -0.04 -2.40 0.00 0.00 -0.71 0.00 0.00 52.86 49.71 2f73 s ASN 105 Cb -0.15 -0.78 0.00 0.00 0.41 0.00 0.00 41.25 40.73 2f73 s ASN 105 CO 0.03 -0.29 0.00 0.61 -1.51 0.00 0.00 177.10 175.94 2f73 n GLY 106 N 3.82 1.72 0.25 0.66 0.00 -1.26 -2.68 105.19 107.69 2f73 n GLY 106 Ca 0.09 -0.14 0.03 0.00 0.00 0.00 0.00 46.02 46.00 2f73 n GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2f73 n ASP 107 N 9.24 1.51 -4.68 1.61 8.00 -1.26 -4.99 116.55 125.98 2f73 n ASP 107 Ca 0.00 -1.25 -0.35 0.00 0.71 0.00 0.00 54.79 53.90 2f73 n ASP 107 Cb 0.00 0.01 -0.09 0.00 -0.02 0.00 0.00 41.12 41.02 2f73 n ASP 107 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2f73 s ILE 108 N -0.53 4.78 -0.12 0.53 -0.00 -1.09 -1.30 121.20 123.46 2f73 s ILE 108 Ca 0.07 -0.05 0.03 0.00 -0.00 0.00 0.00 60.65 60.70 2f73 s ILE 108 Cb 0.05 -3.11 0.01 0.00 -0.00 0.00 0.00 42.46 39.41 2f73 s ILE 108 CO 0.08 0.52 -0.21 -0.51 -0.00 0.00 0.00 174.94 174.82 2f73 s ILE 109 N -0.13 1.91 -0.21 8.37 2.07 -0.55 -1.07 121.20 131.59 2f73 s ILE 109 Ca 0.07 -0.90 -0.05 0.00 -1.41 0.00 0.00 60.65 58.36 2f73 s ILE 109 Cb -0.12 -1.69 -0.02 0.00 0.13 0.00 0.00 42.46 40.77 2f73 s ILE 109 CO 0.01 0.52 -0.01 -0.89 -1.91 0.00 0.00 174.94 172.66 2f73 s THR 110 N 0.71 3.71 -0.27 4.00 2.01 -0.40 -0.82 115.64 124.59 2f73 s THR 110 Ca -0.11 -0.38 -0.06 0.00 0.31 0.00 0.00 61.69 61.45 2f73 s THR 110 Cb -0.16 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 69.66 2f73 s THR 110 CO 0.01 0.41 0.05 0.21 -0.69 0.00 0.00 174.62 174.61 2f73 s ASN 111 N 1.30 4.93 -0.28 3.53 3.84 0.52 -1.11 114.94 127.66 2f73 s ASN 111 Ca 0.04 -0.62 0.03 0.00 0.21 0.00 0.00 52.86 52.51 2f73 s ASN 111 Cb -0.15 -1.84 0.07 0.00 -0.55 0.00 0.00 41.25 38.78 2f73 s ASN 111 CO -0.00 -0.14 -0.06 -0.89 -2.79 0.00 0.00 177.10 173.22 2f73 s THR 112 N 1.49 2.31 -0.42 -5.21 2.01 0.50 -1.34 115.64 114.98 2f73 s THR 112 Ca 0.03 -1.77 -0.08 0.00 0.31 0.00 0.00 61.69 60.18 2f73 s THR 112 Cb -0.16 -2.43 0.08 0.00 0.01 0.00 0.00 72.50 69.99 2f73 s THR 112 CO 0.01 -0.17 0.25 -0.04 -0.69 0.00 0.00 174.62 173.98 2f73 s MET 113 N 1.08 2.53 -0.31 4.92 -1.94 -0.50 -2.07 119.30 123.01 2f73 s MET 113 Ca -0.04 -1.51 -0.14 0.00 -1.71 0.00 0.00 55.69 52.29 2f73 s MET 113 Cb -0.20 -3.75 -0.03 0.00 2.01 0.00 0.00 34.83 32.86 2f73 s MET 113 CO -0.05 -0.97 0.30 0.95 -0.01 0.00 0.00 175.02 175.24 2f73 s THR 114 N 1.39 5.22 -0.30 2.05 -4.23 -0.86 -1.83 115.64 117.09 2f73 s THR 114 Ca 0.03 0.17 -0.04 0.00 -1.18 0.00 0.00 61.69 60.68 2f73 s THR 114 Cb -0.23 -3.70 0.04 0.00 1.34 0.00 0.00 72.50 69.94 2f73 s THR 114 CO 0.01 0.07 0.02 -0.22 -0.54 0.00 0.00 174.62 173.97 2f73 s LEU 115 N 1.92 3.85 0.00 4.79 2.96 0.34 -2.24 118.68 130.30 2f73 s LEU 115 Ca 0.11 -1.07 0.00 0.00 -0.22 0.00 0.00 54.13 52.94 2f73 s LEU 115 Cb -0.16 -1.77 0.00 0.00 0.50 0.00 0.00 46.19 44.76 2f73 s LEU 115 CO 0.11 -0.24 0.00 0.61 -1.32 0.00 0.00 176.35 175.51 2f73 n GLY 116 N 4.72 1.32 0.27 7.98 0.00 -1.26 -0.10 105.19 118.11 2f73 n GLY 116 Ca -0.14 0.50 0.11 0.00 0.00 0.00 0.00 46.02 46.48 2f73 n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2f73 n ASP 117 N 9.34 1.54 -4.67 1.61 8.00 -1.26 -4.92 116.55 126.19 2f73 n ASP 117 Ca 0.00 -1.26 -0.40 0.00 0.71 0.00 0.00 54.79 53.84 2f73 n ASP 117 Cb 0.00 0.69 -0.05 0.00 -0.02 0.00 0.00 41.12 41.74 2f73 n ASP 117 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2f73 s ILE 118 N -2.72 5.00 -0.33 0.53 1.01 0.85 -5.03 121.20 120.51 2f73 s ILE 118 Ca 0.14 1.29 -0.04 0.00 0.00 0.00 0.00 60.65 62.04 2f73 s ILE 118 Cb 0.17 -3.99 0.05 0.00 0.01 0.00 0.00 42.46 38.71 2f73 s ILE 118 CO 0.70 0.11 0.07 -0.69 0.00 0.00 0.00 174.94 175.13 2f73 s VAL 119 N 1.84 3.34 -0.58 2.92 1.01 -1.26 -0.51 120.40 127.16 2f73 s VAL 119 Ca 0.31 -1.37 -0.18 0.00 0.00 0.00 0.00 61.98 60.74 2f73 s VAL 119 Cb -0.16 -2.95 0.12 0.00 0.00 0.00 0.00 36.38 33.38 2f73 s VAL 119 CO 0.11 -0.21 0.64 0.12 0.00 0.00 0.00 175.10 175.77 2f73 s PHE 120 N 1.30 3.10 -0.20 5.22 5.99 -0.76 -4.58 117.98 128.05 2f73 s PHE 120 Ca -0.02 -1.10 -0.05 0.00 0.00 0.00 0.00 56.93 55.76 2f73 s PHE 120 Cb -0.20 -3.94 -0.02 0.00 0.00 0.00 0.00 43.02 38.85 2f73 s PHE 120 CO 0.00 -1.20 -0.01 0.21 -0.00 0.00 0.00 175.22 174.22 2f73 s LYS 121 N 2.28 3.59 -0.10 10.12 2.20 -1.15 -1.41 119.74 135.26 2f73 s LYS 121 Ca 0.09 -0.54 0.03 0.00 -0.36 0.00 0.00 55.97 55.19 2f73 s LYS 121 Cb -0.26 -3.04 -0.01 0.00 -1.51 0.00 0.00 37.83 33.01 2f73 s LYS 121 CO 0.05 0.02 -0.20 1.03 -0.36 0.00 0.00 175.35 175.89 2f73 s ARG 122 N 0.97 3.05 -0.15 4.03 0.52 -0.45 -1.19 118.95 125.73 2f73 s ARG 122 Ca 0.01 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.42 2f73 s ARG 122 Cb -0.14 -2.40 0.03 0.00 0.52 0.00 0.00 34.95 32.96 2f73 s ARG 122 CO 0.01 0.26 -0.10 0.42 0.02 0.00 0.00 175.30 175.92 2f73 s ILE 123 N 0.19 1.32 0.32 1.52 1.01 0.74 -0.36 121.20 125.94 2f73 s ILE 123 Ca -0.12 -0.60 0.10 0.00 0.00 0.00 0.00 60.65 60.03 2f73 s ILE 123 Cb -0.16 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 40.91 2f73 s ILE 123 CO 0.06 0.31 -0.03 -0.44 0.00 0.00 0.00 174.94 174.84 2f73 s SER 124 N 1.57 4.14 -0.01 3.58 0.01 0.00 -1.10 113.70 121.89 2f73 s SER 124 Ca 0.03 -0.94 0.07 0.00 1.31 0.00 0.00 55.95 56.43 2f73 s SER 124 Cb -0.14 -0.55 -0.02 0.00 0.21 0.00 0.00 66.02 65.52 2f73 s SER 124 CO -0.09 -0.14 -0.23 -0.75 0.41 0.00 0.00 173.24 172.43 2f73 s LYS 125 N -3.67 1.88 0.09 12.44 2.20 0.56 -1.48 119.74 131.75 2f73 s LYS 125 Ca 0.33 -0.86 -0.30 0.00 -0.36 0.00 0.00 55.97 54.78 2f73 s LYS 125 Cb -0.02 -1.83 -0.05 0.00 -1.51 0.00 0.00 37.83 34.41 2f73 s LYS 125 CO 0.19 0.50 1.05 0.50 -0.36 0.00 0.00 175.35 177.23 2f73 s ARG 126 N -0.61 4.58 0.00 4.03 3.52 -0.42 0.11 118.95 130.15 2f73 s ARG 126 Ca 0.09 1.58 0.06 0.00 -0.13 0.00 0.00 55.73 57.33 2f73 s ARG 126 Cb -0.09 -3.37 0.05 0.00 -1.56 0.00 0.00 34.95 29.98 2f73 s ARG 126 CO -0.01 0.00 0.68 0.44 -0.81 0.00 0.00 175.30 175.61