#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f73 n GLU -6 N 0.00 1.33 -3.69 -0.78 -0.58 -1.26 -4.96 120.64 110.70 2f73 n GLU -6 Ca 0.00 0.49 -0.37 0.00 -0.42 0.00 0.00 57.16 56.85 2f73 n GLU -6 Cb 0.00 -2.19 -0.06 0.00 -0.57 0.00 0.00 31.44 28.62 2f73 n GLU -6 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2f73 s ASN -5 N -0.89 6.55 -0.54 1.62 0.01 -1.26 -5.04 114.94 115.40 2f73 s ASN -5 Ca 0.68 0.66 0.01 0.00 -0.71 0.00 0.00 52.86 53.49 2f73 s ASN -5 Cb -0.49 -2.15 0.14 0.00 0.41 0.00 0.00 41.25 39.16 2f73 s ASN -5 CO 0.53 0.33 0.31 -0.76 -1.51 0.00 0.00 177.10 176.00 2f73 s LEU -4 N -0.82 4.76 -0.10 0.60 2.01 -1.26 -5.09 118.68 118.78 2f73 s LEU -4 Ca 0.18 -2.83 -0.17 0.00 0.01 0.00 0.00 54.13 51.32 2f73 s LEU -4 Cb -0.14 -1.73 -0.05 0.00 0.01 0.00 0.00 46.19 44.28 2f73 s LEU -4 CO 0.07 -0.31 0.45 -0.31 1.01 0.00 0.00 176.35 177.26 2f73 s TYR -3 N -0.04 3.54 0.38 0.29 4.12 -1.26 -5.08 117.35 119.31 2f73 s TYR -3 Ca 0.16 0.88 0.04 0.00 0.02 0.00 0.00 57.07 58.17 2f73 s TYR -3 Cb -0.23 -2.49 -0.05 0.00 -1.52 0.00 0.00 41.96 37.67 2f73 s TYR -3 CO -0.02 0.26 0.06 -0.06 0.02 0.00 0.00 175.55 175.80 2f73 s PHE -2 N 0.31 2.01 -0.04 2.71 0.08 -1.26 -5.17 117.98 116.62 2f73 s PHE -2 Ca 0.24 -0.97 -0.12 0.00 0.12 0.00 0.00 56.93 56.20 2f73 s PHE -2 Cb -0.15 -1.38 0.02 0.00 -0.57 0.00 0.00 43.02 40.94 2f73 s PHE -2 CO 0.10 0.05 0.28 -0.65 -0.10 0.00 0.00 175.22 174.90 2f73 s GLN -1 N -3.82 0.54 0.22 0.44 -0.21 -1.26 -5.13 119.66 110.44 2f73 s GLN -1 Ca 0.30 -0.03 -0.15 0.00 0.02 0.00 0.00 55.36 55.51 2f73 s GLN -1 Cb 0.07 0.24 0.01 0.00 1.00 0.00 0.00 33.01 34.33 2f73 s GLN -1 CO 0.14 -0.13 0.49 -1.54 -2.12 0.00 0.00 175.29 172.13 2f73 s SER 0 N -0.86 -0.14 0.66 5.90 1.04 -1.26 -4.55 113.70 114.48 2f73 s SER 0 Ca -0.09 -0.75 -0.11 0.00 0.48 0.00 0.00 55.95 55.48 2f73 s SER 0 Cb -0.05 0.58 -0.02 0.00 0.10 0.00 0.00 66.02 66.63 2f73 s SER 0 CO 0.03 -1.10 1.05 -0.04 0.98 0.00 0.00 173.24 174.15 2f73 s MET 1 N -3.95 3.26 -0.15 4.02 1.00 -0.73 -4.98 119.30 117.77 2f73 s MET 1 Ca 0.16 0.85 -0.29 0.00 0.00 0.00 0.00 55.69 56.41 2f73 s MET 1 Cb -0.01 -2.03 -0.01 0.00 0.00 0.00 0.00 34.83 32.78 2f73 s MET 1 CO 0.04 -0.84 1.05 0.45 0.00 0.00 0.00 175.02 175.71 2f73 s SER 2 N -3.99 7.16 0.11 3.03 0.15 -1.26 -4.87 113.70 114.04 2f73 s SER 2 Ca 0.57 1.51 0.26 0.00 0.70 0.00 0.00 55.95 58.99 2f73 s SER 2 Cb -0.13 -2.55 0.69 0.00 -1.71 0.00 0.00 66.02 62.32 2f73 s SER 2 CO 0.54 -0.56 1.60 0.49 1.20 0.00 0.00 173.24 176.52 2f73 n PHE 3 N 5.58 0.52 -1.61 3.44 3.72 -1.26 -4.91 117.46 122.94 2f73 n PHE 3 Ca 0.10 0.15 -0.49 0.00 -0.05 0.00 0.00 57.45 57.16 2f73 n PHE 3 Cb 0.47 -0.68 -0.05 0.00 -0.94 0.00 0.00 39.48 38.29 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 -1.98 1.89 0.00 4.37 7.64 -1.26 -4.61 113.62 119.67 2f73 n SER 4 Ca 0.05 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.05 2f73 n SER 4 Cb 0.40 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 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 2.44 2.94 3.53 0.23 0.00 -0.68 -4.95 105.19 108.71 2f73 n GLY 5 Ca 0.16 -1.18 -0.37 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.14 3.83 -0.15 1.61 1.02 -1.26 -1.57 119.74 121.07 2f73 s LYS 6 Ca 0.00 -0.39 -0.01 0.00 0.02 0.00 0.00 55.97 55.59 2f73 s LYS 6 Cb 0.00 -3.48 -0.01 0.00 -0.52 0.00 0.00 37.83 33.82 2f73 s LYS 6 CO 0.00 -0.14 -0.12 0.71 -0.92 0.00 0.00 175.35 174.88 2f73 s TYR 7 N 1.57 2.84 -0.31 3.18 1.51 0.52 -0.60 117.35 126.06 2f73 s TYR 7 Ca 0.06 -0.80 -0.25 0.00 -1.01 0.00 0.00 57.07 55.07 2f73 s TYR 7 Cb -0.15 -1.91 0.01 0.00 -0.11 0.00 0.00 41.96 39.80 2f73 s TYR 7 CO 0.07 -0.34 0.89 -1.14 -1.11 0.00 0.00 175.55 173.92 2f73 s GLN 8 N 0.67 4.00 0.18 -0.62 2.00 0.23 -1.82 119.66 124.31 2f73 s GLN 8 Ca -0.06 0.76 -0.31 0.00 -2.00 0.00 0.00 55.36 53.75 2f73 s GLN 8 Cb -0.15 -3.73 -0.10 0.00 0.80 0.00 0.00 33.01 29.83 2f73 s GLN 8 CO 0.02 -0.76 1.49 -1.17 -0.50 0.00 0.00 175.29 174.38 2f73 s LEU 9 N 3.20 4.38 0.05 3.68 2.96 -0.24 -1.31 118.68 131.39 2f73 s LEU 9 Ca 0.37 2.58 -0.02 0.00 -0.22 0.00 0.00 54.13 56.83 2f73 s LEU 9 Cb -0.13 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 2f73 s LEU 9 CO 0.13 -0.75 -0.04 0.00 -1.32 0.00 0.00 176.35 174.37 2f73 n GLN 10 N 3.45 0.07 -4.79 1.98 6.02 0.13 -4.69 117.38 119.55 2f73 n GLN 10 Ca 0.11 0.03 -0.33 0.00 -0.01 0.00 0.00 57.00 56.80 2f73 n GLN 10 Cb 0.40 -0.55 -0.13 0.00 1.02 0.00 0.00 30.24 30.98 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 -5.80 4.20 -0.06 1.08 0.15 -1.02 -4.97 113.70 107.27 2f73 s SER 11 Ca -0.04 -0.18 -0.03 0.00 0.70 0.00 0.00 55.95 56.41 2f73 s SER 11 Cb 0.01 -1.11 0.04 0.00 -1.71 0.00 0.00 66.02 63.25 2f73 s SER 11 CO 0.05 0.31 0.13 -1.58 1.20 0.00 0.00 173.24 173.35 2f73 s GLN 12 N -0.49 0.05 -0.01 5.44 0.74 -1.26 0.33 119.66 124.45 2f73 s GLN 12 Ca 0.07 0.40 0.04 0.00 0.05 0.00 0.00 55.36 55.92 2f73 s GLN 12 Cb -0.12 -0.24 -0.01 0.00 1.10 0.00 0.00 33.01 33.75 2f73 s GLN 12 CO 0.02 -0.22 -0.14 -1.83 -0.55 0.00 0.00 175.29 172.57 2f73 s GLU 13 N 1.53 1.18 -0.71 1.67 -1.05 0.57 -4.78 118.70 117.11 2f73 s GLU 13 Ca -0.05 -0.51 0.00 0.00 -0.15 0.00 0.00 54.97 54.26 2f73 s GLU 13 Cb -0.12 -1.13 0.00 0.00 -0.44 0.00 0.00 34.13 32.44 2f73 s GLU 13 CO -0.05 0.30 0.00 0.09 0.95 0.00 0.00 175.26 176.55 2f73 n ASN 14 N 2.75 -3.27 -0.23 0.83 4.13 -1.26 -1.61 115.26 116.59 2f73 n ASN 14 Ca -0.14 0.08 -0.03 0.00 1.68 0.00 0.00 54.58 56.16 2f73 n ASN 14 Cb 0.55 -2.08 0.08 0.00 -1.54 0.00 0.00 39.78 36.79 2f73 n ASN 14 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 2f73 h PHE 15 N 0.00 0.72 0.44 3.10 3.57 -1.92 -1.23 116.94 121.63 2f73 h PHE 15 Ca -0.17 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.33 2f73 h PHE 15 Cb 0.85 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.36 2f73 h PHE 15 CO 0.20 0.39 -0.21 0.93 -2.23 0.00 0.00 178.31 177.39 2f73 h GLU 16 N 0.75 -0.57 -0.59 1.11 5.08 -1.94 -2.11 114.58 116.31 2f73 h GLU 16 Ca 0.28 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.76 2f73 h GLU 16 Cb 0.09 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.36 2f73 h GLU 16 CO -0.14 -0.33 -0.47 0.00 -1.00 0.00 0.00 179.01 177.07 2f73 h ALA 17 N -1.03 -0.43 -0.33 3.43 0.00 -1.97 -2.08 119.26 116.86 2f73 h ALA 17 Ca -0.06 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2f73 h ALA 17 Cb 0.50 1.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.28 2f73 h ALA 17 CO 0.10 -0.88 0.01 0.35 0.00 0.00 0.00 179.25 178.82 2f73 h PHE 18 N -0.24 -0.01 -0.83 0.00 3.57 -1.32 -2.13 116.94 115.98 2f73 h PHE 18 Ca 0.16 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 2f73 h PHE 18 Cb 0.56 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 2f73 h PHE 18 CO -0.75 -0.05 0.44 0.52 -2.23 0.00 0.00 178.31 176.24 2f73 h MET 19 N 0.10 1.18 -0.12 1.11 2.86 -0.73 -2.32 114.93 117.00 2f73 h MET 19 Ca 0.16 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 2f73 h MET 19 Cb 0.21 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 2f73 h MET 19 CO -0.26 0.88 -0.06 0.87 1.06 0.00 0.00 176.91 179.40 2f73 h LYS 20 N 1.18 0.26 -0.97 1.72 1.57 -1.29 -0.58 116.57 118.45 2f73 h LYS 20 Ca 0.29 -0.11 0.28 0.00 -1.87 0.00 0.00 60.65 59.24 2f73 h LYS 20 Cb 0.06 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 2f73 h LYS 20 CO -0.04 0.60 0.88 0.00 -0.57 0.00 0.00 179.45 180.32 2f73 h ALA 21 N 0.65 2.84 -0.38 3.86 0.00 -0.99 1.71 119.26 126.95 2f73 h ALA 21 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2f73 h ALA 21 Cb 0.52 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2f73 h ALA 21 CO 0.02 -1.38 0.00 0.44 0.00 0.00 0.00 179.25 178.33 2f73 n ILE 22 N -3.74 1.62 -3.29 0.00 -5.35 -0.91 -5.01 119.36 102.67 2f73 n ILE 22 Ca 0.21 -1.35 -0.16 0.00 -0.27 0.00 0.00 62.75 61.18 2f73 n ILE 22 Cb 1.20 0.16 0.08 0.00 -1.74 0.00 0.00 39.64 39.34 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 0.28 -0.28 3.75 3.28 0.00 0.58 -4.97 105.19 107.84 2f73 n GLY 23 Ca 0.18 0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 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 -5.95 4.41 -0.47 0.99 1.98 -0.26 -4.91 118.68 114.47 2f73 s LEU 24 Ca 0.12 1.25 -0.43 0.00 -2.89 0.00 0.00 54.13 52.18 2f73 s LEU 24 Cb -0.05 -3.04 -0.18 0.00 0.66 0.00 0.00 46.19 43.58 2f73 s LEU 24 CO 0.63 0.04 1.81 -2.65 -1.89 0.00 0.00 176.35 174.30 2f73 n PRO 25 N 2.90 0.00 -0.34 0.98 -0.02 -1.26 -4.71 135.00 132.55 2f73 n PRO 25 Ca -0.05 0.00 0.23 0.00 -2.02 0.00 0.00 63.50 61.66 2f73 n PRO 25 Cb 0.51 -1.42 0.46 0.00 -0.02 0.00 0.00 33.50 33.03 2f73 n PRO 25 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2f73 h GLU 26 N 6.93 0.38 0.00 -0.52 4.22 -1.96 0.96 114.58 124.59 2f73 h GLU 26 Ca -0.23 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.19 2f73 h GLU 26 Cb 1.32 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2f73 h GLU 26 CO 0.99 0.25 0.01 1.49 -2.18 0.00 0.00 179.01 179.57 2f73 h GLU 27 N 0.39 0.00 0.00 1.92 4.81 -2.01 -0.16 114.58 119.53 2f73 h GLU 27 Ca 0.70 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.93 2f73 h GLU 27 Cb 1.59 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.97 2f73 h GLU 27 CO -0.53 0.00 -0.95 1.28 -0.73 0.00 0.00 179.01 178.08 2f73 n LEU 28 N -2.85 0.71 0.10 1.64 4.77 0.33 -3.15 117.00 118.56 2f73 n LEU 28 Ca -0.03 0.21 -0.16 0.00 -0.03 0.00 0.00 56.01 56.00 2f73 n LEU 28 Cb 0.07 -0.10 -0.12 0.00 -2.33 0.00 0.00 43.42 40.94 2f73 n LEU 28 CO 0.17 -0.09 -0.01 0.40 -1.33 0.00 0.00 177.39 176.53 2f73 h ILE 29 N 0.00 1.45 -0.06 -0.08 2.04 -0.92 -2.25 117.51 117.70 2f73 h ILE 29 Ca 0.00 -2.87 -0.00 0.00 1.00 0.00 0.00 64.86 62.99 2f73 h ILE 29 Cb 0.87 2.83 -0.00 0.00 -0.74 0.00 0.00 36.82 39.77 2f73 h ILE 29 CO 0.00 0.84 0.02 1.56 0.00 0.00 0.00 178.15 180.58 2f73 h GLN 30 N 0.12 0.08 -0.93 2.37 1.08 -1.57 -1.61 115.11 114.66 2f73 h GLN 30 Ca -0.13 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.09 2f73 h GLN 30 Cb 1.90 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 29.26 2f73 h GLN 30 CO 0.20 0.21 0.61 -0.22 -0.95 0.00 0.00 178.83 178.68 2f73 h LYS 31 N -0.06 1.11 -0.01 1.46 3.64 -1.50 -3.22 116.57 117.99 2f73 h LYS 31 Ca 0.02 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2f73 h LYS 31 Cb 0.15 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2f73 h LYS 31 CO -0.00 0.74 -0.19 0.41 -2.27 0.00 0.00 179.45 178.14 2f73 n GLY 32 N -1.39 -0.15 0.43 5.01 0.00 -0.85 -4.62 105.19 103.62 2f73 n GLY 32 Ca 0.13 -0.34 0.25 0.00 0.00 0.00 0.00 46.02 46.06 2f73 n GLY 32 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2f73 h LYS 33 N 1.54 0.30 -0.01 1.61 3.64 -1.30 -2.75 116.57 119.59 2f73 h LYS 33 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2f73 h LYS 33 Cb 0.42 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2f73 h LYS 33 CO 0.00 0.20 0.00 -0.25 -2.27 0.00 0.00 179.45 177.13 2f73 n ASP 34 N -4.51 2.12 -4.69 4.20 10.43 -1.26 -4.98 116.55 117.85 2f73 n ASP 34 Ca 0.24 -2.28 -0.42 0.00 2.57 0.00 0.00 54.79 54.90 2f73 n ASP 34 Cb 0.92 -0.12 -0.03 0.00 1.84 0.00 0.00 41.12 43.73 2f73 n ASP 34 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2f73 s ILE 35 N -1.49 4.83 -0.49 0.53 1.01 -1.04 -5.01 121.20 119.54 2f73 s ILE 35 Ca 0.09 1.98 0.04 0.00 0.00 0.00 0.00 60.65 62.76 2f73 s ILE 35 Cb 0.08 -4.29 0.13 0.00 0.01 0.00 0.00 42.46 38.39 2f73 s ILE 35 CO 0.01 0.07 0.23 -0.54 0.00 0.00 0.00 174.94 174.71 2f73 s LYS 36 N 1.65 1.93 0.00 2.79 3.01 -1.26 -4.72 119.74 123.14 2f73 s LYS 36 Ca 0.48 -2.50 0.00 0.00 -1.01 0.00 0.00 55.97 52.94 2f73 s LYS 36 Cb -0.19 -3.32 0.00 0.00 -1.01 0.00 0.00 37.83 33.31 2f73 s LYS 36 CO 0.21 -1.09 0.00 0.41 0.51 0.00 0.00 175.35 175.39 2f73 n GLY 37 N 3.32 2.22 3.12 -3.33 0.00 -1.26 -4.69 105.19 104.57 2f73 n GLY 37 Ca 0.05 -2.04 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 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 1.89 1.92 0.39 1.61 1.01 -1.26 -1.08 120.40 124.88 2f73 s VAL 38 Ca 0.00 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.18 2f73 s VAL 38 Cb 0.00 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 2f73 s VAL 38 CO 0.00 0.52 0.45 -0.44 0.00 0.00 0.00 175.10 175.63 2f73 s SER 39 N 1.09 5.49 -0.05 3.32 0.01 -0.75 -4.44 113.70 118.37 2f73 s SER 39 Ca -0.01 -0.48 -0.08 0.00 1.31 0.00 0.00 55.95 56.69 2f73 s SER 39 Cb -0.14 -0.79 0.01 0.00 0.21 0.00 0.00 66.02 65.31 2f73 s SER 39 CO -0.07 -0.60 0.20 -0.70 0.41 0.00 0.00 173.24 172.47 2f73 s GLU 40 N -4.20 0.37 0.03 12.44 2.12 0.18 -0.36 118.70 129.28 2f73 s GLU 40 Ca 0.49 0.02 0.06 0.00 0.36 0.00 0.00 54.97 55.90 2f73 s GLU 40 Cb -0.07 0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.46 2f73 s GLU 40 CO 0.30 -0.07 -0.18 0.42 -0.54 0.00 0.00 175.26 175.19 2f73 s ILE 41 N -0.52 1.42 -0.23 -3.70 1.01 -0.61 -0.10 121.20 118.48 2f73 s ILE 41 Ca -0.06 -1.00 -0.00 0.00 0.00 0.00 0.00 60.65 59.58 2f73 s ILE 41 Cb -0.04 -1.23 0.06 0.00 0.01 0.00 0.00 42.46 41.26 2f73 s ILE 41 CO 0.01 0.20 -0.01 -0.69 0.00 0.00 0.00 174.94 174.46 2f73 s VAL 42 N -0.69 1.17 -0.17 2.92 1.01 -0.32 -1.68 120.40 122.63 2f73 s VAL 42 Ca 0.06 -1.06 -0.07 0.00 0.00 0.00 0.00 61.98 60.91 2f73 s VAL 42 Cb -0.08 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2f73 s VAL 42 CO 0.01 -0.20 0.04 -1.58 0.00 0.00 0.00 175.10 173.37 2f73 s GLN 43 N 1.55 3.89 -0.41 2.72 0.74 -1.26 -1.26 119.66 125.63 2f73 s GLN 43 Ca -0.02 -0.37 0.04 0.00 0.05 0.00 0.00 55.36 55.05 2f73 s GLN 43 Cb -0.18 -3.15 0.17 0.00 1.10 0.00 0.00 33.01 30.95 2f73 s GLN 43 CO -0.08 0.29 0.35 -0.80 -0.55 0.00 0.00 175.29 174.49 2f73 s ASN 44 N 0.30 1.39 1.31 6.67 -0.87 0.41 -4.84 114.94 119.31 2f73 s ASN 44 Ca 0.02 -2.93 0.00 0.00 -1.57 0.00 0.00 52.86 48.39 2f73 s ASN 44 Cb -0.13 -0.31 0.00 0.00 -0.02 0.00 0.00 41.25 40.79 2f73 s ASN 44 CO 0.01 -0.18 0.00 0.61 -2.57 0.00 0.00 177.10 174.97 2f73 n GLY 45 N 2.95 2.40 1.04 0.66 0.00 -1.26 -1.82 105.19 109.17 2f73 n GLY 45 Ca 0.28 -0.35 0.07 0.00 0.00 0.00 0.00 46.02 46.02 2f73 n GLY 45 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2f73 n LYS 46 N 12.63 2.50 -4.15 1.61 2.85 -1.26 -4.84 118.16 127.50 2f73 n LYS 46 Ca 0.00 -1.87 -0.34 0.00 -1.05 0.00 0.00 58.31 55.05 2f73 n LYS 46 Cb 0.00 -1.53 -0.11 0.00 -0.65 0.00 0.00 35.03 32.73 2f73 n LYS 46 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 2f73 s HIS 47 N -1.53 3.12 0.01 5.58 3.76 -0.75 -0.97 115.29 124.50 2f73 s HIS 47 Ca 0.34 -0.17 0.05 0.00 -0.15 0.00 0.00 55.06 55.13 2f73 s HIS 47 Cb 0.20 -2.05 -0.02 0.00 1.11 0.00 0.00 32.58 31.83 2f73 s HIS 47 CO 0.20 -0.01 -0.15 -0.06 -0.85 0.00 0.00 174.74 173.87 2f73 s PHE 48 N 0.55 1.31 -0.34 1.40 0.40 -0.41 -0.44 117.98 120.45 2f73 s PHE 48 Ca 0.00 -0.29 -0.00 0.00 -0.60 0.00 0.00 56.93 56.04 2f73 s PHE 48 Cb -0.14 -0.82 0.11 0.00 0.51 0.00 0.00 43.02 42.69 2f73 s PHE 48 CO 0.02 0.01 0.14 0.15 0.70 0.00 0.00 175.22 176.23 2f73 s LYS 49 N -0.67 0.79 -0.05 0.44 1.02 -0.39 -1.85 119.74 119.03 2f73 s LYS 49 Ca 0.04 -1.26 0.02 0.00 0.02 0.00 0.00 55.97 54.79 2f73 s LYS 49 Cb -0.07 -1.96 -0.03 0.00 -0.52 0.00 0.00 37.83 35.25 2f73 s LYS 49 CO 0.00 -1.04 -0.08 -0.59 -0.92 0.00 0.00 175.35 172.71 2f73 s PHE 50 N 1.33 2.88 -0.14 3.18 -0.12 -0.51 -1.18 117.98 123.42 2f73 s PHE 50 Ca 0.12 -0.03 0.00 0.00 -0.05 0.00 0.00 56.93 56.97 2f73 s PHE 50 Cb -0.19 -1.67 -0.01 0.00 -0.63 0.00 0.00 43.02 40.52 2f73 s PHE 50 CO -0.18 0.31 -0.14 0.99 -0.05 0.00 0.00 175.22 176.14 2f73 s THR 51 N -0.83 2.84 -0.06 -4.49 2.01 0.86 -1.16 115.64 114.81 2f73 s THR 51 Ca 0.13 -0.73 0.04 0.00 0.31 0.00 0.00 61.69 61.45 2f73 s THR 51 Cb -0.11 -2.19 -0.00 0.00 0.01 0.00 0.00 72.50 70.21 2f73 s THR 51 CO 0.02 0.52 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.66 2f73 s ILE 52 N 0.58 1.56 -0.50 1.82 1.01 0.44 -0.65 121.20 125.46 2f73 s ILE 52 Ca -0.09 -0.77 -0.16 0.00 0.00 0.00 0.00 60.65 59.64 2f73 s ILE 52 Cb -0.16 -1.34 0.10 0.00 0.01 0.00 0.00 42.46 41.06 2f73 s ILE 52 CO 0.03 0.45 0.43 -0.89 0.00 0.00 0.00 174.94 174.96 2f73 s THR 53 N 0.14 5.20 -0.23 2.92 2.01 -1.26 0.13 115.64 124.56 2f73 s THR 53 Ca -0.07 -1.24 0.00 0.00 0.31 0.00 0.00 61.69 60.69 2f73 s THR 53 Cb -0.13 -4.20 0.03 0.00 0.01 0.00 0.00 72.50 68.21 2f73 s THR 53 CO 0.04 -0.69 -0.12 0.00 -0.69 0.00 0.00 174.62 173.16 2f73 s ALA 54 N 1.62 2.55 0.00 7.40 0.00 -0.51 -4.73 121.76 128.09 2f73 s ALA 54 Ca 0.04 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.55 2f73 s ALA 54 Cb -0.26 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.36 2f73 s ALA 54 CO 0.05 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.48 2f73 n GLY 55 N 4.60 2.84 0.85 0.00 0.00 -1.26 -2.12 105.19 110.09 2f73 n GLY 55 Ca -0.17 -0.35 0.04 0.00 0.00 0.00 0.00 46.02 45.54 2f73 n GLY 55 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2f73 n SER 56 N 2.81 2.40 -3.95 1.61 3.41 -1.26 -4.81 113.62 113.81 2f73 n SER 56 Ca 0.00 -2.19 -0.13 0.00 -0.26 0.00 0.00 58.87 56.30 2f73 n SER 56 Cb 0.00 -0.38 -0.13 0.00 -0.26 0.00 0.00 64.21 63.44 2f73 n SER 56 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2f73 s LYS 57 N -1.66 0.27 -0.41 4.33 -2.85 -0.90 -5.08 119.74 113.44 2f73 s LYS 57 Ca 0.23 -0.31 -0.15 0.00 -1.00 0.00 0.00 55.97 54.74 2f73 s LYS 57 Cb 0.15 -0.14 0.02 0.00 -2.06 0.00 0.00 37.83 35.80 2f73 s LYS 57 CO 0.12 0.03 0.31 0.08 0.10 0.00 0.00 175.35 175.99 2f73 s VAL 58 N -0.58 5.25 -0.27 1.79 1.01 -1.26 -1.42 120.40 124.92 2f73 s VAL 58 Ca -0.05 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.19 2f73 s VAL 58 Cb -0.04 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 2f73 s VAL 58 CO -0.00 -0.32 0.13 -0.63 0.00 0.00 0.00 175.10 174.28 2f73 s ILE 59 N 1.70 4.74 -0.03 2.22 1.01 0.12 -4.89 121.20 126.07 2f73 s ILE 59 Ca 0.05 -0.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.51 2f73 s ILE 59 Cb -0.19 -3.28 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 2f73 s ILE 59 CO 0.10 0.25 0.27 -1.10 0.00 0.00 0.00 174.94 174.46 2f73 s GLN 60 N 1.67 3.64 0.12 2.79 -0.21 -1.26 -0.42 119.66 125.99 2f73 s GLN 60 Ca 0.06 0.07 -0.10 0.00 0.02 0.00 0.00 55.36 55.41 2f73 s GLN 60 Cb -0.16 -3.15 0.00 0.00 1.00 0.00 0.00 33.01 30.70 2f73 s GLN 60 CO 0.07 0.70 0.25 -0.80 -2.12 0.00 0.00 175.29 173.40 2f73 s ASN 61 N -1.29 0.04 -0.06 5.90 0.01 -0.31 -4.68 114.94 114.56 2f73 s ASN 61 Ca 0.22 -0.67 -0.12 0.00 -0.71 0.00 0.00 52.86 51.59 2f73 s ASN 61 Cb -0.14 0.39 0.02 0.00 0.41 0.00 0.00 41.25 41.94 2f73 s ASN 61 CO 0.11 -0.80 0.29 -1.61 -1.51 0.00 0.00 177.10 173.58 2f73 s GLU 62 N -3.88 0.51 0.06 -0.60 2.02 -1.26 -1.43 118.70 114.13 2f73 s GLU 62 Ca 0.08 0.06 -0.27 0.00 0.02 0.00 0.00 54.97 54.87 2f73 s GLU 62 Cb 0.04 0.23 0.09 0.00 0.10 0.00 0.00 34.13 34.59 2f73 s GLU 62 CO -0.08 -0.11 0.85 -0.59 0.02 0.00 0.00 175.26 175.35 2f73 s PHE 63 N -0.67 -0.33 0.01 1.61 -0.12 -0.77 -4.76 117.98 112.94 2f73 s PHE 63 Ca -0.08 0.14 0.07 0.00 -0.05 0.00 0.00 56.93 57.01 2f73 s PHE 63 Cb -0.04 0.57 -0.03 0.00 -0.63 0.00 0.00 43.02 42.89 2f73 s PHE 63 CO 0.02 -0.67 -0.19 0.99 -0.05 0.00 0.00 175.22 175.32 2f73 s THR 64 N -3.29 2.67 0.52 -4.49 2.01 -1.26 -1.28 115.64 110.53 2f73 s THR 64 Ca 0.06 -1.09 -0.20 0.00 0.31 0.00 0.00 61.69 60.77 2f73 s THR 64 Cb -0.01 -2.07 -0.07 0.00 0.01 0.00 0.00 72.50 70.36 2f73 s THR 64 CO -0.07 0.44 1.11 -0.69 -0.69 0.00 0.00 174.62 174.72 2f73 s VAL 65 N -0.82 3.30 -1.16 3.82 1.01 -0.14 -3.18 120.40 123.23 2f73 s VAL 65 Ca 0.13 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.94 2f73 s VAL 65 Cb -0.10 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.93 2f73 s VAL 65 CO 0.03 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.58 2f73 n GLY 66 N 0.10 1.03 3.21 4.51 0.00 -0.47 -5.00 105.19 108.57 2f73 n GLY 66 Ca 0.11 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.22 0.52 -0.01 1.61 2.12 -1.19 -5.03 118.70 113.48 2f73 s GLU 67 Ca 0.00 0.05 -0.27 0.00 0.36 0.00 0.00 54.97 55.11 2f73 s GLU 67 Cb 0.00 0.23 -0.04 0.00 0.26 0.00 0.00 34.13 34.59 2f73 s GLU 67 CO 0.00 -0.12 0.84 -1.83 -0.54 0.00 0.00 175.26 173.62 2f73 s GLU 68 N -0.70 4.51 0.38 4.30 -1.05 -1.26 -4.24 118.70 120.64 2f73 s GLU 68 Ca -0.08 1.16 0.04 0.00 -0.15 0.00 0.00 54.97 55.94 2f73 s GLU 68 Cb -0.04 -3.44 -0.03 0.00 -0.44 0.00 0.00 34.13 30.18 2f73 s GLU 68 CO 0.02 0.05 0.13 0.00 0.95 0.00 0.00 175.26 176.42 2f73 s GLU 70 N -3.74 3.20 -0.02 0.00 -1.05 -1.26 -2.01 118.70 113.82 2f73 s GLU 70 Ca 0.28 -0.74 0.01 0.00 -0.15 0.00 0.00 54.97 54.37 2f73 s GLU 70 Cb 0.04 -3.02 -0.03 0.00 -0.44 0.00 0.00 34.13 30.67 2f73 s GLU 70 CO 0.16 -0.27 -0.02 -0.51 0.95 0.00 0.00 175.26 175.56 2f73 s LEU 71 N 1.44 3.40 0.09 1.83 1.43 0.13 -4.85 118.68 122.14 2f73 s LEU 71 Ca 0.04 -0.02 -0.27 0.00 -1.03 0.00 0.00 54.13 52.85 2f73 s LEU 71 Cb -0.15 -1.90 -0.06 0.00 0.03 0.00 0.00 46.19 44.11 2f73 s LEU 71 CO -0.03 0.30 0.84 -0.70 0.23 0.00 0.00 176.35 176.99 2f73 s GLU 72 N -1.34 4.59 0.71 1.70 2.12 -1.26 -1.28 118.70 123.94 2f73 s GLU 72 Ca 0.17 1.23 -0.04 0.00 0.36 0.00 0.00 54.97 56.68 2f73 s GLU 72 Cb -0.11 -3.35 0.09 0.00 0.26 0.00 0.00 34.13 31.02 2f73 s GLU 72 CO 0.07 0.31 1.00 0.95 -0.54 0.00 0.00 175.26 177.06 2f73 s THR 73 N -0.24 2.27 -2.00 -1.70 -4.23 0.13 -4.90 115.64 104.97 2f73 s THR 73 Ca 0.41 -0.42 0.10 0.00 -1.18 0.00 0.00 61.69 60.60 2f73 s THR 73 Cb -0.22 -2.86 0.27 0.00 1.34 0.00 0.00 72.50 71.03 2f73 s THR 73 CO 0.26 0.00 1.00 0.23 -0.54 0.00 0.00 174.62 175.57 2f73 n MET 74 N -2.89 0.34 -0.01 3.99 0.00 -1.26 -0.95 117.12 116.34 2f73 n MET 74 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 57.70 57.82 2f73 n MET 74 Cb 0.60 -1.44 0.01 0.00 0.00 0.00 0.00 33.22 32.39 2f73 n MET 74 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2f73 n THR 75 N -0.94 0.36 0.00 2.03 -2.24 -1.26 -4.98 114.28 107.24 2f73 n THR 75 Ca 0.07 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 2f73 n THR 75 Cb 0.03 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 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 -0.06 2.99 3.77 3.38 0.00 -0.13 -5.00 105.19 110.15 2f73 n GLY 76 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2f73 n GLY 76 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2f73 s GLU 77 N -0.24 4.08 -0.25 1.61 2.12 -1.26 -4.48 118.70 120.27 2f73 s GLU 77 Ca 0.00 2.43 -0.08 0.00 0.36 0.00 0.00 54.97 57.68 2f73 s GLU 77 Cb 0.00 -2.92 -0.03 0.00 0.26 0.00 0.00 34.13 31.44 2f73 s GLU 77 CO 0.00 -0.50 0.09 0.15 -0.54 0.00 0.00 175.26 174.46 2f73 s LYS 78 N -2.10 3.72 0.43 4.30 1.02 -1.26 0.20 119.74 126.05 2f73 s LYS 78 Ca 0.54 -0.44 0.07 0.00 0.02 0.00 0.00 55.97 56.15 2f73 s LYS 78 Cb -0.44 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.44 2f73 s LYS 78 CO 0.59 -0.18 0.22 0.14 -0.92 0.00 0.00 175.35 175.20 2f73 s VAL 79 N 1.62 2.23 -0.04 3.17 -7.23 -0.40 -4.90 120.40 114.85 2f73 s VAL 79 Ca 0.06 -1.65 0.03 0.00 -1.81 0.00 0.00 61.98 58.62 2f73 s VAL 79 Cb -0.15 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 33.91 2f73 s VAL 79 CO 0.05 0.00 -0.13 -0.54 -0.31 0.00 0.00 175.10 174.17 2f73 s LYS 80 N -3.96 1.38 0.30 4.82 1.02 -1.26 0.17 119.74 122.20 2f73 s LYS 80 Ca 0.40 -0.44 -0.20 0.00 0.02 0.00 0.00 55.97 55.74 2f73 s LYS 80 Cb 0.02 -1.23 0.03 0.00 -0.52 0.00 0.00 37.83 36.13 2f73 s LYS 80 CO 0.22 0.16 0.73 -0.08 -0.92 0.00 0.00 175.35 175.47 2f73 s THR 81 N 0.18 0.00 -0.08 2.17 -1.32 -0.85 -4.95 115.64 110.79 2f73 s THR 81 Ca -0.05 -1.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.44 2f73 s THR 81 Cb -0.11 -2.15 -0.03 0.00 -1.51 0.00 0.00 72.50 68.70 2f73 s THR 81 CO 0.01 0.00 -0.07 -0.69 -2.21 0.00 0.00 174.62 171.66 2f73 s VAL 82 N -3.63 3.66 -0.18 5.08 1.01 -1.26 -2.03 120.40 123.04 2f73 s VAL 82 Ca 0.12 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 2f73 s VAL 82 Cb -0.06 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 2f73 s VAL 82 CO 0.08 0.58 0.09 -0.69 0.00 0.00 0.00 175.10 175.16 2f73 s VAL 83 N -0.64 5.03 0.19 2.92 1.01 -1.26 -4.49 120.40 123.17 2f73 s VAL 83 Ca 0.10 0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.23 2f73 s VAL 83 Cb -0.11 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2f73 s VAL 83 CO 0.02 0.46 -0.13 -1.10 0.00 0.00 0.00 175.10 174.35 2f73 s GLN 84 N 0.28 1.92 -0.32 2.72 -1.52 0.11 -1.37 119.66 121.48 2f73 s GLN 84 Ca 0.05 -1.36 -0.11 0.00 -1.95 0.00 0.00 55.36 51.99 2f73 s GLN 84 Cb -0.12 -2.07 -0.02 0.00 -0.22 0.00 0.00 33.01 30.59 2f73 s GLN 84 CO -0.01 0.42 0.20 -1.17 -0.25 0.00 0.00 175.29 174.49 2f73 s LEU 85 N -2.85 4.31 -0.21 2.90 2.96 -1.26 -0.86 118.68 123.68 2f73 s LEU 85 Ca 0.24 -0.42 -0.08 0.00 -0.22 0.00 0.00 54.13 53.65 2f73 s LEU 85 Cb -0.08 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 2f73 s LEU 85 CO 0.14 -0.20 0.09 -1.61 -1.32 0.00 0.00 176.35 173.45 2f73 s GLU 86 N 1.69 3.95 4.77 1.98 2.02 0.12 -4.93 118.70 128.30 2f73 s GLU 86 Ca 0.06 -0.35 0.00 0.00 0.02 0.00 0.00 54.97 54.70 2f73 s GLU 86 Cb -0.17 -3.32 0.00 0.00 0.10 0.00 0.00 34.13 30.74 2f73 s GLU 86 CO 0.09 0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.92 2f73 n GLY 87 N 3.98 1.62 0.00 -1.39 0.00 -1.26 -2.32 105.19 105.82 2f73 n GLY 87 Ca -0.16 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 0.49 1.22 -0.17 1.61 5.68 -1.26 -4.71 116.55 119.41 2f73 n ASP 88 Ca 0.00 -1.23 0.02 0.00 -0.50 0.00 0.00 54.79 53.08 2f73 n ASP 88 Cb 0.00 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.01 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 -0.12 0.92 -3.98 -1.12 6.94 -1.24 -1.77 115.26 114.88 2f73 n ASN 89 Ca 0.00 -1.97 -0.22 0.00 -0.02 0.00 0.00 54.58 52.37 2f73 n ASN 89 Cb 0.06 -0.16 -0.16 0.00 -2.36 0.00 0.00 39.78 37.16 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 -0.84 1.25 -0.29 -3.83 1.02 -0.98 -1.14 119.74 114.93 2f73 s LYS 90 Ca 0.07 -0.30 -0.03 0.00 0.02 0.00 0.00 55.97 55.73 2f73 s LYS 90 Cb 0.06 -1.10 0.03 0.00 -0.52 0.00 0.00 37.83 36.30 2f73 s LYS 90 CO 0.01 0.03 0.02 -0.51 -0.92 0.00 0.00 175.35 173.97 2f73 s LEU 91 N 0.58 3.77 0.02 3.17 1.43 -0.53 0.14 118.68 127.27 2f73 s LEU 91 Ca -0.10 -1.04 0.06 0.00 -1.03 0.00 0.00 54.13 52.02 2f73 s LEU 91 Cb -0.13 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 2f73 s LEU 91 CO 0.02 -0.22 -0.15 -0.69 0.23 0.00 0.00 176.35 175.54 2f73 s VAL 92 N 1.34 3.03 0.04 -1.59 1.01 -0.04 -1.67 120.40 122.53 2f73 s VAL 92 Ca -0.02 -1.04 -0.26 0.00 0.00 0.00 0.00 61.98 60.66 2f73 s VAL 92 Cb -0.18 -2.28 0.06 0.00 0.00 0.00 0.00 36.38 33.98 2f73 s VAL 92 CO -0.01 0.37 0.60 0.28 0.00 0.00 0.00 175.10 176.35 2f73 s THR 93 N -0.93 0.01 -0.02 3.92 -1.32 -1.06 -0.71 115.64 115.54 2f73 s THR 93 Ca 0.15 -0.09 0.01 0.00 -1.21 0.00 0.00 61.69 60.55 2f73 s THR 93 Cb -0.11 -0.99 0.01 0.00 -1.51 0.00 0.00 72.50 69.91 2f73 s THR 93 CO 0.06 -0.05 -0.02 -0.89 -2.21 0.00 0.00 174.62 171.50 2f73 s THR 94 N -2.34 0.27 -0.12 5.08 2.01 -1.26 -1.74 115.64 117.54 2f73 s THR 94 Ca -0.06 -0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.57 2f73 s THR 94 Cb -0.01 -0.28 0.11 0.00 0.01 0.00 0.00 72.50 72.34 2f73 s THR 94 CO -0.01 0.12 0.92 0.72 -0.69 0.00 0.00 174.62 175.68 2f73 s PHE 95 N 0.38 -0.43 -1.34 4.92 -0.12 -0.85 -4.81 117.98 115.74 2f73 s PHE 95 Ca -0.04 0.69 -0.01 0.00 -0.05 0.00 0.00 56.93 57.52 2f73 s PHE 95 Cb -0.07 0.45 0.00 0.00 -0.63 0.00 0.00 43.02 42.78 2f73 s PHE 95 CO -0.01 -0.42 0.05 1.63 -0.05 0.00 0.00 175.22 176.42 2f73 n LYS 96 N 0.65 -2.21 -2.29 1.99 5.02 -1.26 -0.07 118.16 119.99 2f73 n LYS 96 Ca -0.12 0.75 -0.17 0.00 -2.02 0.00 0.00 58.31 56.75 2f73 n LYS 96 Cb 0.58 -5.39 -0.01 0.00 -0.02 0.00 0.00 35.03 30.19 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 -1.93 -4.99 -4.29 4.39 3.02 -1.26 -4.99 115.26 105.21 2f73 n ASN 97 Ca -0.17 -0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.06 2f73 n ASN 97 Cb 0.64 -4.08 -0.16 0.00 -0.61 0.00 0.00 39.78 35.56 2f73 n ASN 97 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2f73 s ILE 98 N -2.84 2.20 -0.30 2.41 1.01 0.89 -4.49 121.20 120.09 2f73 s ILE 98 Ca 0.00 -1.01 -0.09 0.00 0.00 0.00 0.00 60.65 59.55 2f73 s ILE 98 Cb 0.00 -1.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.65 2f73 s ILE 98 CO 0.00 0.57 0.12 -0.75 0.00 0.00 0.00 174.94 174.88 2f73 s LYS 99 N -0.15 3.33 -0.22 2.79 2.20 -0.91 -2.00 119.74 124.78 2f73 s LYS 99 Ca -0.04 -0.71 -0.07 0.00 -0.36 0.00 0.00 55.97 54.79 2f73 s LYS 99 Cb -0.14 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 2f73 s LYS 99 CO 0.04 -0.39 0.07 0.45 -0.36 0.00 0.00 175.35 175.16 2f73 s SER 100 N 1.59 5.42 -0.11 1.43 0.15 -0.71 -1.56 113.70 119.91 2f73 s SER 100 Ca 0.04 -0.05 0.01 0.00 0.70 0.00 0.00 55.95 56.65 2f73 s SER 100 Cb -0.17 -1.95 0.02 0.00 -1.71 0.00 0.00 66.02 62.21 2f73 s SER 100 CO 0.05 0.07 -0.13 -0.69 1.20 0.00 0.00 173.24 173.74 2f73 s VAL 101 N 0.99 1.40 -0.22 4.45 1.01 0.15 -2.55 120.40 125.62 2f73 s VAL 101 Ca 0.04 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 2f73 s VAL 101 Cb -0.14 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 2f73 s VAL 101 CO 0.03 0.42 0.00 -0.89 0.00 0.00 0.00 175.10 174.67 2f73 s THR 102 N 1.16 3.86 -0.07 3.92 2.01 -0.67 -0.77 115.64 125.08 2f73 s THR 102 Ca -0.03 -0.33 0.03 0.00 0.31 0.00 0.00 61.69 61.66 2f73 s THR 102 Cb -0.14 -2.77 0.01 0.00 0.01 0.00 0.00 72.50 69.61 2f73 s THR 102 CO -0.04 0.40 -0.17 -0.70 -0.69 0.00 0.00 174.62 173.43 2f73 s GLU 103 N 1.29 2.18 -0.30 4.92 2.12 0.33 -1.45 118.70 127.79 2f73 s GLU 103 Ca 0.04 -0.60 -0.14 0.00 0.36 0.00 0.00 54.97 54.62 2f73 s GLU 103 Cb -0.15 -1.74 -0.03 0.00 0.26 0.00 0.00 34.13 32.48 2f73 s GLU 103 CO 0.01 0.11 0.33 -1.17 -0.54 0.00 0.00 175.26 174.00 2f73 s LEU 104 N 0.46 4.17 -0.38 2.70 2.96 -0.29 -1.16 118.68 127.14 2f73 s LEU 104 Ca -0.15 0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.83 2f73 s LEU 104 Cb -0.16 -2.33 0.11 0.00 0.50 0.00 0.00 46.19 44.31 2f73 s LEU 104 CO 0.05 -0.21 0.13 0.20 -1.32 0.00 0.00 176.35 175.21 2f73 s ASN 105 N 1.70 4.27 1.45 3.68 0.01 0.40 -4.86 114.94 121.60 2f73 s ASN 105 Ca 0.12 -2.25 0.00 0.00 -0.71 0.00 0.00 52.86 50.02 2f73 s ASN 105 Cb -0.16 -1.30 0.00 0.00 0.41 0.00 0.00 41.25 40.20 2f73 s ASN 105 CO 0.11 -0.34 0.00 0.61 -1.51 0.00 0.00 177.10 175.96 2f73 n GLY 106 N 4.09 3.05 1.21 0.66 0.00 -1.26 -0.62 105.19 112.31 2f73 n GLY 106 Ca 0.03 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 8.66 3.58 -4.66 1.61 8.00 -1.26 -4.92 116.55 127.56 2f73 n ASP 107 Ca 0.00 -2.00 -0.35 0.00 0.71 0.00 0.00 54.79 53.16 2f73 n ASP 107 Cb 0.00 -0.30 -0.10 0.00 -0.02 0.00 0.00 41.12 40.70 2f73 n ASP 107 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2f73 s ILE 108 N -1.39 4.33 -0.05 0.53 -1.09 0.20 -0.24 121.20 123.49 2f73 s ILE 108 Ca 0.41 -0.23 0.05 0.00 -2.23 0.00 0.00 60.65 58.65 2f73 s ILE 108 Cb 0.24 -2.84 -0.02 0.00 -1.58 0.00 0.00 42.46 38.25 2f73 s ILE 108 CO 0.32 0.58 -0.18 -0.63 -1.23 0.00 0.00 174.94 173.80 2f73 s ILE 109 N -0.63 2.74 -0.11 2.92 -1.09 -0.30 0.15 121.20 124.87 2f73 s ILE 109 Ca 0.10 -0.84 0.01 0.00 -2.23 0.00 0.00 60.65 57.69 2f73 s ILE 109 Cb -0.12 -2.05 0.02 0.00 -1.58 0.00 0.00 42.46 38.73 2f73 s ILE 109 CO 0.02 0.58 -0.12 -0.89 -1.23 0.00 0.00 174.94 173.31 2f73 s THR 110 N -0.57 1.28 -0.28 2.92 2.01 -0.31 -1.26 115.64 119.44 2f73 s THR 110 Ca 0.08 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.60 2f73 s THR 110 Cb -0.11 -1.22 0.05 0.00 0.01 0.00 0.00 72.50 71.23 2f73 s THR 110 CO 0.01 0.41 -0.06 0.21 -0.69 0.00 0.00 174.62 174.49 2f73 s ASN 111 N 1.34 4.61 -0.14 3.53 3.84 0.29 -0.51 114.94 127.89 2f73 s ASN 111 Ca -0.01 -1.30 -0.04 0.00 0.21 0.00 0.00 52.86 51.73 2f73 s ASN 111 Cb -0.14 -1.63 -0.03 0.00 -0.55 0.00 0.00 41.25 38.91 2f73 s ASN 111 CO -0.06 -0.21 0.00 -0.89 -2.79 0.00 0.00 177.10 173.15 2f73 s THR 112 N 1.18 4.26 -0.20 -5.21 2.01 0.05 -1.67 115.64 116.06 2f73 s THR 112 Ca -0.07 -0.24 -0.02 0.00 0.31 0.00 0.00 61.69 61.68 2f73 s THR 112 Cb -0.20 -2.86 0.06 0.00 0.01 0.00 0.00 72.50 69.52 2f73 s THR 112 CO -0.03 0.52 0.01 -0.04 -0.69 0.00 0.00 174.62 174.39 2f73 s MET 113 N -0.06 0.90 -0.16 4.92 -1.94 0.43 0.30 119.30 123.70 2f73 s MET 113 Ca 0.03 -0.55 -0.06 0.00 -1.71 0.00 0.00 55.69 53.40 2f73 s MET 113 Cb -0.13 -2.21 -0.04 0.00 2.01 0.00 0.00 34.83 34.46 2f73 s MET 113 CO 0.02 -0.62 0.06 0.95 -0.01 0.00 0.00 175.02 175.41 2f73 s THR 114 N 1.74 4.74 -0.36 2.05 -4.23 -0.60 0.06 115.64 119.04 2f73 s THR 114 Ca -0.02 -0.06 0.03 0.00 -1.18 0.00 0.00 61.69 60.46 2f73 s THR 114 Cb -0.17 -3.11 0.11 0.00 1.34 0.00 0.00 72.50 70.66 2f73 s THR 114 CO -0.07 0.50 0.10 -0.22 -0.54 0.00 0.00 174.62 174.39 2f73 s LEU 115 N 0.05 3.86 0.00 4.79 2.96 0.18 -2.14 118.68 128.38 2f73 s LEU 115 Ca 0.05 -2.15 0.00 0.00 -0.22 0.00 0.00 54.13 51.81 2f73 s LEU 115 Cb -0.12 -1.37 0.00 0.00 0.50 0.00 0.00 46.19 45.19 2f73 s LEU 115 CO 0.01 -0.36 0.00 0.61 -1.32 0.00 0.00 176.35 175.29 2f73 n GLY 116 N 4.22 2.43 0.68 7.98 0.00 -1.26 -1.56 105.19 117.68 2f73 n GLY 116 Ca 0.03 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 9.84 2.30 -4.69 1.61 10.43 -1.26 -4.88 116.55 129.90 2f73 n ASP 117 Ca 0.00 -1.68 -0.39 0.00 2.57 0.00 0.00 54.79 55.29 2f73 n ASP 117 Cb 0.00 0.15 -0.06 0.00 1.84 0.00 0.00 41.12 43.05 2f73 n ASP 117 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2f73 s ILE 118 N -2.18 5.10 -0.76 0.53 1.01 -0.60 -5.02 121.20 119.27 2f73 s ILE 118 Ca 0.27 1.11 0.02 0.00 0.00 0.00 0.00 60.65 62.04 2f73 s ILE 118 Cb 0.20 -3.90 0.19 0.00 0.01 0.00 0.00 42.46 38.95 2f73 s ILE 118 CO 0.40 0.22 0.58 -0.69 0.00 0.00 0.00 174.94 175.46 2f73 s VAL 119 N 1.20 3.53 -0.34 2.92 1.01 -1.26 0.49 120.40 127.95 2f73 s VAL 119 Ca 0.28 -3.93 -0.28 0.00 0.00 0.00 0.00 61.98 58.06 2f73 s VAL 119 Cb -0.16 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 2f73 s VAL 119 CO 0.12 -1.01 2.14 0.12 0.00 0.00 0.00 175.10 176.46 2f73 s PHE 120 N -1.20 1.33 -0.10 5.22 5.99 0.11 -4.73 117.98 124.59 2f73 s PHE 120 Ca 0.25 0.82 0.01 0.00 0.00 0.00 0.00 56.93 58.01 2f73 s PHE 120 Cb -0.09 -3.91 -0.02 0.00 0.00 0.00 0.00 43.02 39.01 2f73 s PHE 120 CO -0.12 -3.32 -0.15 0.21 -0.00 0.00 0.00 175.22 171.83 2f73 s LYS 121 N 6.70 3.11 -0.06 10.12 2.20 -0.63 -0.43 119.74 140.74 2f73 s LYS 121 Ca 0.92 -0.72 0.02 0.00 -0.36 0.00 0.00 55.97 55.84 2f73 s LYS 121 Cb -0.25 -2.52 0.01 0.00 -1.51 0.00 0.00 37.83 33.56 2f73 s LYS 121 CO 0.31 0.31 -0.13 1.03 -0.36 0.00 0.00 175.35 176.52 2f73 s ARG 122 N 0.08 1.75 -0.17 4.03 0.52 -0.67 -0.31 118.95 124.18 2f73 s ARG 122 Ca -0.06 -0.44 0.01 0.00 -0.52 0.00 0.00 55.73 54.71 2f73 s ARG 122 Cb -0.15 -1.44 0.01 0.00 0.52 0.00 0.00 34.95 33.89 2f73 s ARG 122 CO 0.05 0.05 -0.18 0.42 0.02 0.00 0.00 175.30 175.66 2f73 s ILE 123 N 0.60 2.32 0.02 1.52 1.01 0.15 -0.55 121.20 126.26 2f73 s ILE 123 Ca -0.14 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.68 2f73 s ILE 123 Cb -0.15 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 2f73 s ILE 123 CO 0.04 0.53 -0.14 -0.44 0.00 0.00 0.00 174.94 174.93 2f73 s SER 124 N 1.08 1.59 -0.06 3.58 0.01 -0.39 0.22 113.70 119.73 2f73 s SER 124 Ca -0.00 -0.35 -0.02 0.00 1.31 0.00 0.00 55.95 56.88 2f73 s SER 124 Cb -0.14 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 2f73 s SER 124 CO -0.06 0.09 0.05 -1.59 0.41 0.00 0.00 173.24 172.13 2f73 s LYS 125 N -0.75 3.06 0.35 12.44 -2.85 -0.43 -1.15 119.74 130.41 2f73 s LYS 125 Ca 0.03 -0.40 -0.27 0.00 -1.00 0.00 0.00 55.97 54.33 2f73 s LYS 125 Cb -0.07 -2.86 -0.09 0.00 -2.06 0.00 0.00 37.83 32.75 2f73 s LYS 125 CO 0.00 0.69 1.18 0.50 0.10 0.00 0.00 175.35 177.82 2f73 s ARG 126 N -1.21 4.28 0.00 1.78 3.52 0.67 -0.60 118.95 127.40 2f73 s ARG 126 Ca 0.17 1.90 0.00 0.00 -0.13 0.00 0.00 55.73 57.67 2f73 s ARG 126 Cb -0.12 -2.89 0.00 0.00 -1.56 0.00 0.00 34.95 30.38 2f73 s ARG 126 CO 0.07 -0.14 0.12 0.44 -0.81 0.00 0.00 175.30 174.98