#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 1.12 -0.14 -2.82 0.41 -1.26 -5.15 118.70 110.86 2f73 s GLU -6 Ca 0.00 -1.36 -0.02 0.00 -0.41 0.00 0.00 54.97 53.17 2f73 s GLU -6 Cb 0.00 -0.95 -0.03 0.00 -1.78 0.00 0.00 34.13 31.37 2f73 s GLU -6 CO 0.00 0.17 -0.06 -0.80 -0.49 0.00 0.00 175.26 174.09 2f73 s ASN -5 N -2.76 4.65 -0.17 -0.19 0.02 -1.26 -5.10 114.94 110.13 2f73 s ASN -5 Ca 0.14 -0.14 0.01 0.00 -1.02 0.00 0.00 52.86 51.84 2f73 s ASN -5 Cb -0.03 -1.67 0.03 0.00 0.02 0.00 0.00 41.25 39.60 2f73 s ASN -5 CO 0.04 0.20 -0.14 -0.76 0.02 0.00 0.00 177.10 176.46 2f73 s LEU -4 N 0.19 1.98 -0.02 0.60 1.02 -1.26 -5.13 118.68 116.07 2f73 s LEU -4 Ca -0.03 -0.66 0.06 0.00 0.02 0.00 0.00 54.13 53.52 2f73 s LEU -4 Cb -0.14 -1.25 -0.03 0.00 0.02 0.00 0.00 46.19 44.80 2f73 s LEU -4 CO 0.03 -0.08 -0.20 -0.31 0.02 0.00 0.00 176.35 175.82 2f73 s TYR -3 N 1.42 2.53 0.07 0.29 4.12 -1.26 -5.12 117.35 119.40 2f73 s TYR -3 Ca 0.03 -0.28 0.02 0.00 0.02 0.00 0.00 57.07 56.85 2f73 s TYR -3 Cb -0.14 -1.54 -0.03 0.00 -1.52 0.00 0.00 41.96 38.72 2f73 s TYR -3 CO -0.10 0.12 -0.07 -0.06 0.02 0.00 0.00 175.55 175.45 2f73 s PHE -2 N -0.73 0.78 -0.02 2.71 0.40 -1.26 -5.16 117.98 114.70 2f73 s PHE -2 Ca 0.12 -0.69 0.06 0.00 -0.60 0.00 0.00 56.93 55.81 2f73 s PHE -2 Cb -0.10 -0.46 -0.01 0.00 0.51 0.00 0.00 43.02 42.95 2f73 s PHE -2 CO 0.01 -0.11 -0.20 1.14 0.70 0.00 0.00 175.22 176.76 2f73 s GLN -1 N -2.64 1.67 0.14 0.44 0.00 -1.26 -5.08 119.66 112.93 2f73 s GLN -1 Ca 0.00 -0.70 0.01 0.00 -0.00 0.00 0.00 55.36 54.67 2f73 s GLN -1 Cb -0.03 -1.57 -0.04 0.00 0.00 0.00 0.00 33.01 31.37 2f73 s GLN -1 CO -0.02 0.40 0.01 -1.54 0.00 0.00 0.00 175.29 174.14 2f73 s SER 0 N -0.37 0.84 0.88 12.60 1.04 -1.26 -4.66 113.70 122.77 2f73 s SER 0 Ca 0.05 -1.16 -0.11 0.00 0.48 0.00 0.00 55.95 55.21 2f73 s SER 0 Cb -0.08 0.18 0.12 0.00 0.10 0.00 0.00 66.02 66.34 2f73 s SER 0 CO -0.00 -0.62 1.09 -0.04 0.98 0.00 0.00 173.24 174.65 2f73 s MET 1 N -3.95 1.35 -0.06 4.02 -1.94 0.52 -4.96 119.30 114.27 2f73 s MET 1 Ca 0.22 0.90 -0.24 0.00 -1.71 0.00 0.00 55.69 54.86 2f73 s MET 1 Cb 0.07 -1.81 -0.03 0.00 2.01 0.00 0.00 34.83 35.06 2f73 s MET 1 CO 0.01 -2.20 0.74 0.45 -0.01 0.00 0.00 175.02 174.01 2f73 s SER 2 N -3.36 7.03 0.01 3.03 0.15 -1.26 -4.88 113.70 114.41 2f73 s SER 2 Ca 0.63 1.25 0.22 0.00 0.70 0.00 0.00 55.95 58.75 2f73 s SER 2 Cb -0.18 -2.43 0.01 0.00 -1.71 0.00 0.00 66.02 61.70 2f73 s SER 2 CO 0.57 -0.15 1.04 0.49 1.20 0.00 0.00 173.24 176.40 2f73 n PHE 3 N 3.85 0.04 -1.35 3.44 3.72 -1.26 -4.97 117.46 120.93 2f73 n PHE 3 Ca -0.00 0.01 -0.36 0.00 -0.05 0.00 0.00 57.45 57.05 2f73 n PHE 3 Cb 0.51 -0.15 0.08 0.00 -0.94 0.00 0.00 39.48 38.99 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 -1.59 0.25 0.00 4.37 7.64 -1.26 -4.59 113.62 118.44 2f73 n SER 4 Ca 0.04 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.58 2f73 n SER 4 Cb 0.36 -1.38 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 1.18 1.88 3.33 0.23 0.00 -0.22 -4.91 105.19 106.68 2f73 n GLY 5 Ca 0.13 -1.98 -0.32 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.44 2.79 0.07 1.61 1.02 -1.26 -0.72 119.74 121.81 2f73 s LYS 6 Ca 0.00 -0.81 0.09 0.00 0.02 0.00 0.00 55.97 55.27 2f73 s LYS 6 Cb 0.00 -2.34 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 2f73 s LYS 6 CO 0.00 0.37 -0.24 0.71 -0.92 0.00 0.00 175.35 175.27 2f73 s TYR 7 N -0.11 2.08 -0.24 3.18 1.51 0.96 -0.64 117.35 124.09 2f73 s TYR 7 Ca -0.04 -0.39 -0.07 0.00 -1.01 0.00 0.00 57.07 55.56 2f73 s TYR 7 Cb -0.14 -1.21 -0.03 0.00 -0.11 0.00 0.00 41.96 40.47 2f73 s TYR 7 CO 0.04 0.16 0.06 -1.14 -1.11 0.00 0.00 175.55 173.56 2f73 s GLN 8 N -1.44 3.64 0.04 -0.62 2.00 0.19 -1.67 119.66 121.80 2f73 s GLN 8 Ca 0.10 -0.49 -0.30 0.00 -2.00 0.00 0.00 55.36 52.67 2f73 s GLN 8 Cb -0.10 -3.29 -0.07 0.00 0.80 0.00 0.00 33.01 30.35 2f73 s GLN 8 CO 0.03 -0.17 1.55 -1.17 -0.50 0.00 0.00 175.29 175.02 2f73 s LEU 9 N 1.56 4.34 0.00 3.68 2.96 -0.88 0.34 118.68 130.69 2f73 s LEU 9 Ca 0.06 2.34 0.00 0.00 -0.22 0.00 0.00 54.13 56.31 2f73 s LEU 9 Cb -0.15 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.98 2f73 s LEU 9 CO 0.03 -0.82 0.00 0.00 -1.32 0.00 0.00 176.35 174.24 2f73 n GLN 10 N 5.48 2.72 -4.80 1.98 6.02 0.31 -4.71 117.38 124.38 2f73 n GLN 10 Ca 0.15 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.88 2f73 n GLN 10 Cb 0.42 -0.99 -0.16 0.00 1.02 0.00 0.00 30.24 30.53 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 -3.27 2.07 -0.12 1.08 0.15 -0.69 -4.99 113.70 107.93 2f73 s SER 11 Ca 0.00 -0.33 -0.06 0.00 0.70 0.00 0.00 55.95 56.25 2f73 s SER 11 Cb 0.00 -0.52 0.05 0.00 -1.71 0.00 0.00 66.02 63.84 2f73 s SER 11 CO 0.00 0.16 0.28 -1.58 1.20 0.00 0.00 173.24 173.30 2f73 s GLN 12 N -0.02 0.25 -0.04 5.44 0.74 -1.26 -0.09 119.66 124.68 2f73 s GLN 12 Ca -0.02 0.58 0.03 0.00 0.05 0.00 0.00 55.36 56.00 2f73 s GLN 12 Cb -0.10 -0.09 0.00 0.00 1.10 0.00 0.00 33.01 33.92 2f73 s GLN 12 CO 0.02 -0.16 -0.12 -2.00 -0.55 0.00 0.00 175.29 172.48 2f73 s GLU 13 N 1.23 1.37 -1.18 1.67 2.12 0.65 -4.83 118.70 119.74 2f73 s GLU 13 Ca -0.09 -0.42 -0.03 0.00 0.36 0.00 0.00 54.97 54.78 2f73 s GLU 13 Cb -0.10 -1.21 0.00 0.00 0.26 0.00 0.00 34.13 33.09 2f73 s GLU 13 CO -0.09 0.14 0.46 0.09 -0.54 0.00 0.00 175.26 175.32 2f73 n ASN 14 N 3.36 -5.02 -0.21 -1.70 5.03 -1.26 -2.19 115.26 113.27 2f73 n ASN 14 Ca -0.19 -0.22 -0.08 0.00 0.87 0.00 0.00 54.58 54.96 2f73 n ASN 14 Cb 0.53 -3.87 0.02 0.00 -1.02 0.00 0.00 39.78 35.45 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 -1.05 0.93 -0.23 3.10 3.57 -1.93 -2.22 116.94 119.11 2f73 h PHE 15 Ca -0.40 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 60.99 2f73 h PHE 15 Cb 1.28 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 2f73 h PHE 15 CO 0.40 0.77 0.09 0.93 -2.23 0.00 0.00 178.31 178.27 2f73 h GLU 16 N 0.82 0.34 0.27 1.11 5.08 -1.94 0.18 114.58 120.43 2f73 h GLU 16 Ca 0.19 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2f73 h GLU 16 Cb 0.28 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2f73 h GLU 16 CO -0.01 0.39 -0.13 0.00 -1.00 0.00 0.00 179.01 178.26 2f73 h ALA 17 N 0.94 -0.36 -0.86 3.43 0.00 -1.96 -2.60 119.26 117.85 2f73 h ALA 17 Ca 0.08 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2f73 h ALA 17 Cb 0.17 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2f73 h ALA 17 CO -0.01 -0.65 0.57 0.35 0.00 0.00 0.00 179.25 179.51 2f73 h PHE 18 N -0.46 1.09 -0.18 0.00 3.57 -1.37 -1.78 116.94 117.80 2f73 h PHE 18 Ca -0.04 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 2f73 h PHE 18 Cb 0.35 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 2f73 h PHE 18 CO -0.03 0.69 -0.19 0.52 -2.23 0.00 0.00 178.31 177.06 2f73 h MET 19 N 1.17 0.31 0.55 1.11 2.86 -0.60 -2.87 114.93 117.47 2f73 h MET 19 Ca 0.31 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.84 2f73 h MET 19 Cb -0.13 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 31.50 2f73 h MET 19 CO -0.07 0.50 -0.27 0.87 1.06 0.00 0.00 176.91 179.01 2f73 h LYS 20 N 0.29 -0.72 -1.00 1.72 1.57 -1.08 0.62 116.57 117.98 2f73 h LYS 20 Ca 0.05 0.05 0.38 0.00 -1.87 0.00 0.00 60.65 59.26 2f73 h LYS 20 Cb 0.51 0.16 -0.18 0.00 0.08 0.00 0.00 32.23 32.80 2f73 h LYS 20 CO 0.03 -0.45 0.41 0.00 -0.57 0.00 0.00 179.45 178.87 2f73 h ALA 21 N -1.10 1.91 -0.06 3.86 0.00 -1.31 1.69 119.26 124.26 2f73 h ALA 21 Ca -0.08 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2f73 h ALA 21 Cb 0.60 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2f73 h ALA 21 CO 0.12 -0.85 0.00 0.44 0.00 0.00 0.00 179.25 178.96 2f73 n ILE 22 N -5.31 0.06 -0.95 0.00 -5.35 -1.09 -4.94 119.36 101.78 2f73 n ILE 22 Ca 0.34 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.58 2f73 n ILE 22 Cb 1.15 0.32 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 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 1.12 0.72 3.72 3.28 0.00 0.58 -4.96 105.19 109.64 2f73 n GLY 23 Ca 0.18 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 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 4.38 1.09 0.99 1.98 0.22 -4.97 118.68 122.36 2f73 s LEU 24 Ca 0.00 2.08 -0.17 0.00 -2.89 0.00 0.00 54.13 53.14 2f73 s LEU 24 Cb 0.00 -3.58 0.10 0.00 0.66 0.00 0.00 46.19 43.37 2f73 s LEU 24 CO 0.00 -0.48 0.15 -2.65 -1.89 0.00 0.00 176.35 171.48 2f73 n PRO 25 N 3.80 -1.39 0.09 0.98 -0.02 -1.26 -4.55 135.00 132.66 2f73 n PRO 25 Ca 0.09 -0.38 -0.19 0.00 -2.02 0.00 0.00 63.50 61.00 2f73 n PRO 25 Cb 0.46 -1.76 -0.15 0.00 -0.02 0.00 0.00 33.50 32.03 2f73 n PRO 25 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2f73 h GLU 26 N -2.01 0.33 -0.60 -0.52 4.39 -1.98 -3.04 114.58 111.15 2f73 h GLU 26 Ca -0.52 -0.56 0.05 0.00 0.34 0.00 0.00 59.36 58.68 2f73 h GLU 26 Cb 1.34 0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 30.13 2f73 h GLU 26 CO 0.38 1.23 -0.36 -1.91 -1.16 0.00 0.00 179.01 177.19 2f73 n GLU 27 N -3.54 -0.27 0.10 2.33 4.07 -1.26 -0.11 120.64 121.97 2f73 n GLU 27 Ca -0.15 0.92 -0.04 0.00 -0.06 0.00 0.00 57.16 57.83 2f73 n GLU 27 Cb 1.05 -1.36 0.13 0.00 -0.06 0.00 0.00 31.44 31.21 2f73 n GLU 27 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2f73 h LEU 28 N 0.00 0.19 -0.69 4.31 3.38 -1.95 -3.21 115.31 117.34 2f73 h LEU 28 Ca 0.10 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 2f73 h LEU 28 Cb 0.25 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2f73 h LEU 28 CO -0.57 0.76 -0.27 0.40 0.09 0.00 0.00 178.44 178.85 2f73 h ILE 29 N 0.12 1.28 0.05 1.22 2.04 -0.39 0.87 117.51 122.70 2f73 h ILE 29 Ca -0.01 -1.39 -0.24 0.00 1.00 0.00 0.00 64.86 64.22 2f73 h ILE 29 Cb 1.12 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 38.51 2f73 h ILE 29 CO 0.09 0.46 -1.04 1.56 0.00 0.00 0.00 178.15 179.22 2f73 h GLN 30 N 0.61 0.29 -0.29 2.37 1.08 -1.57 -0.79 115.11 116.80 2f73 h GLN 30 Ca 0.08 -0.37 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 2f73 h GLN 30 Cb 0.78 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.31 2f73 h GLN 30 CO 0.06 1.10 0.19 -0.22 -0.95 0.00 0.00 178.83 179.02 2f73 h LYS 31 N 0.13 0.38 -0.15 1.46 3.64 -1.49 -3.16 116.57 117.38 2f73 h LYS 31 Ca -0.09 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2f73 h LYS 31 Cb 1.71 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.45 2f73 h LYS 31 CO 0.17 0.25 0.00 0.41 -2.27 0.00 0.00 179.45 178.01 2f73 n GLY 32 N -1.18 0.95 0.00 5.01 0.00 0.28 -4.76 105.19 105.49 2f73 n GLY 32 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 1.08 0.00 -0.87 1.61 4.81 -0.30 -2.88 118.16 121.62 2f73 n LYS 33 Ca 0.13 0.90 -0.11 0.00 -0.87 0.00 0.00 58.31 58.35 2f73 n LYS 33 Cb 0.48 -1.43 0.19 0.00 0.02 0.00 0.00 35.03 34.29 2f73 n LYS 33 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2f73 n ASP 34 N -2.66 3.88 -4.74 3.14 9.92 -1.26 -4.94 116.55 119.89 2f73 n ASP 34 Ca 0.00 -3.08 -0.40 0.00 -0.53 0.00 0.00 54.79 50.78 2f73 n ASP 34 Cb 0.00 -0.73 -0.05 0.00 -0.64 0.00 0.00 41.12 39.71 2f73 n ASP 34 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2f73 s ILE 35 N -2.47 4.68 -0.36 0.53 1.01 -1.14 -5.02 121.20 118.43 2f73 s ILE 35 Ca 0.43 1.73 0.02 0.00 0.00 0.00 0.00 60.65 62.83 2f73 s ILE 35 Cb 0.35 -4.16 0.11 0.00 0.01 0.00 0.00 42.46 38.77 2f73 s ILE 35 CO 0.09 0.35 0.11 -0.54 0.00 0.00 0.00 174.94 174.96 2f73 s LYS 36 N -0.05 1.27 0.00 2.79 3.01 -1.26 -4.81 119.74 120.68 2f73 s LYS 36 Ca 0.40 -1.72 0.00 0.00 -1.01 0.00 0.00 55.97 53.64 2f73 s LYS 36 Cb -0.21 -2.72 0.00 0.00 -1.01 0.00 0.00 37.83 33.89 2f73 s LYS 36 CO 0.24 -1.00 0.00 0.41 0.51 0.00 0.00 175.35 175.51 2f73 n GLY 37 N 4.23 2.60 3.13 -3.33 0.00 -1.26 -4.82 105.19 105.74 2f73 n GLY 37 Ca 0.03 -2.02 -0.25 0.00 0.00 0.00 0.00 46.02 43.79 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 2.03 1.32 0.26 1.61 1.01 -1.26 -2.06 120.40 123.32 2f73 s VAL 38 Ca 0.00 -0.69 0.10 0.00 0.00 0.00 0.00 61.98 61.39 2f73 s VAL 38 Cb 0.00 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2f73 s VAL 38 CO 0.00 0.38 -0.04 -0.44 0.00 0.00 0.00 175.10 175.00 2f73 s SER 39 N -0.15 4.39 -0.00 3.32 0.01 -0.67 -4.34 113.70 116.25 2f73 s SER 39 Ca 0.01 -0.70 0.01 0.00 1.31 0.00 0.00 55.95 56.59 2f73 s SER 39 Cb -0.09 -0.76 -0.00 0.00 0.21 0.00 0.00 66.02 65.38 2f73 s SER 39 CO 0.01 0.01 -0.04 -0.70 0.41 0.00 0.00 173.24 172.93 2f73 s GLU 40 N -3.60 0.31 -0.00 12.44 2.12 0.44 -0.03 118.70 130.38 2f73 s GLU 40 Ca 0.31 -0.14 0.08 0.00 0.36 0.00 0.00 54.97 55.58 2f73 s GLU 40 Cb -0.06 -0.30 -0.02 0.00 0.26 0.00 0.00 34.13 34.01 2f73 s GLU 40 CO 0.19 0.08 -0.24 0.42 -0.54 0.00 0.00 175.26 175.17 2f73 s ILE 41 N -0.09 1.94 -0.26 -3.70 1.01 0.11 0.44 121.20 120.65 2f73 s ILE 41 Ca 0.01 -1.12 -0.01 0.00 0.00 0.00 0.00 60.65 59.54 2f73 s ILE 41 Cb -0.01 -1.62 0.08 0.00 0.01 0.00 0.00 42.46 40.91 2f73 s ILE 41 CO -0.00 0.48 0.05 -0.69 0.00 0.00 0.00 174.94 174.79 2f73 s VAL 42 N -0.63 0.86 -0.16 2.92 1.01 -0.10 -1.05 120.40 123.25 2f73 s VAL 42 Ca 0.10 -1.10 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 2f73 s VAL 42 Cb -0.09 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 2f73 s VAL 42 CO -0.00 -0.43 0.04 -1.58 0.00 0.00 0.00 175.10 173.12 2f73 s GLN 43 N 1.66 3.73 -0.55 2.72 0.74 -1.26 -2.64 119.66 124.05 2f73 s GLN 43 Ca 0.04 -0.37 0.06 0.00 0.05 0.00 0.00 55.36 55.14 2f73 s GLN 43 Cb -0.17 -3.09 0.22 0.00 1.10 0.00 0.00 33.01 31.07 2f73 s GLN 43 CO -0.16 0.37 0.57 0.09 -0.55 0.00 0.00 175.29 175.61 2f73 n ASN 44 N 3.20 1.99 0.00 6.67 4.13 -0.71 -4.81 115.26 125.72 2f73 n ASN 44 Ca -0.17 -3.03 0.00 0.00 1.68 0.00 0.00 54.58 53.06 2f73 n ASN 44 Cb 0.53 -0.66 0.00 0.00 -1.54 0.00 0.00 39.78 38.10 2f73 n ASN 44 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2f73 n GLY 45 N 1.55 2.39 0.19 7.41 0.00 -1.26 -2.76 105.19 112.70 2f73 n GLY 45 Ca 0.25 -0.15 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 2f73 n GLY 45 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2f73 h LYS 46 N 0.00 0.34 -6.42 1.61 3.64 -1.96 -3.46 116.57 110.33 2f73 h LYS 46 Ca 0.00 -0.21 -0.53 0.00 -1.27 0.00 0.00 60.65 58.63 2f73 h LYS 46 Cb 0.00 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 2f73 h LYS 46 CO 0.00 0.81 0.29 -1.01 -2.27 0.00 0.00 179.45 177.26 2f73 s HIS 47 N -3.90 3.74 -0.04 1.91 3.76 -1.11 -1.84 115.29 117.82 2f73 s HIS 47 Ca -0.05 1.65 0.04 0.00 -0.15 0.00 0.00 55.06 56.54 2f73 s HIS 47 Cb 0.12 -2.98 -0.00 0.00 1.11 0.00 0.00 32.58 30.82 2f73 s HIS 47 CO 0.81 0.17 -0.15 -0.06 -0.85 0.00 0.00 174.74 174.66 2f73 s PHE 48 N 0.26 1.51 -0.06 1.40 0.40 0.12 -1.74 117.98 119.87 2f73 s PHE 48 Ca 0.45 -0.41 -0.01 0.00 -0.60 0.00 0.00 56.93 56.36 2f73 s PHE 48 Cb -0.22 -1.02 0.03 0.00 0.51 0.00 0.00 43.02 42.32 2f73 s PHE 48 CO 0.27 -0.14 0.02 0.21 0.70 0.00 0.00 175.22 176.27 2f73 s LYS 49 N 0.04 0.39 0.00 0.44 2.20 -1.08 -0.03 119.74 121.70 2f73 s LYS 49 Ca -0.03 0.17 -0.10 0.00 -0.36 0.00 0.00 55.97 55.66 2f73 s LYS 49 Cb -0.10 -0.78 0.01 0.00 -1.51 0.00 0.00 37.83 35.44 2f73 s LYS 49 CO 0.02 -0.28 0.19 -0.59 -0.36 0.00 0.00 175.35 174.32 2f73 s PHE 50 N 1.88 -0.02 -0.18 4.03 -0.12 -0.76 -0.92 117.98 121.88 2f73 s PHE 50 Ca 0.03 -0.03 -0.01 0.00 -0.05 0.00 0.00 56.93 56.87 2f73 s PHE 50 Cb -0.12 -0.01 0.01 0.00 -0.63 0.00 0.00 43.02 42.27 2f73 s PHE 50 CO -0.04 -0.33 -0.14 0.99 -0.05 0.00 0.00 175.22 175.65 2f73 s THR 51 N -1.43 2.62 -0.11 -4.49 2.01 0.17 -1.85 115.64 112.55 2f73 s THR 51 Ca -0.14 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.10 2f73 s THR 51 Cb -0.07 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 2f73 s THR 51 CO 0.02 0.50 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.70 2f73 s ILE 52 N 1.20 3.19 -0.32 1.82 -1.09 -0.55 -0.42 121.20 125.03 2f73 s ILE 52 Ca 0.02 -0.63 -0.13 0.00 -2.23 0.00 0.00 60.65 57.68 2f73 s ILE 52 Cb -0.14 -2.33 -0.03 0.00 -1.58 0.00 0.00 42.46 38.39 2f73 s ILE 52 CO -0.06 0.54 0.27 0.42 -1.23 0.00 0.00 174.94 174.88 2f73 s THR 53 N 0.09 5.25 -0.31 2.92 -4.23 -1.25 -0.87 115.64 117.23 2f73 s THR 53 Ca -0.05 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.46 2f73 s THR 53 Cb -0.14 -3.70 0.07 0.00 1.34 0.00 0.00 72.50 70.06 2f73 s THR 53 CO 0.04 0.04 0.02 0.00 -0.54 0.00 0.00 174.62 174.18 2f73 s ALA 54 N 1.84 2.83 0.00 3.99 0.00 0.78 -4.83 121.76 126.38 2f73 s ALA 54 Ca 0.08 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 50.08 2f73 s ALA 54 Cb -0.17 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 21.00 2f73 s ALA 54 CO 0.11 -1.39 0.00 0.41 0.00 0.00 0.00 175.76 174.89 2f73 n GLY 55 N 4.55 2.76 1.25 0.00 0.00 -1.26 -1.62 105.19 110.86 2f73 n GLY 55 Ca -0.10 -0.29 0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 8.61 4.08 -4.49 1.61 3.41 -1.26 -4.79 113.62 120.79 2f73 n SER 56 Ca 0.00 -2.28 -0.31 0.00 -0.26 0.00 0.00 58.87 56.01 2f73 n SER 56 Cb 0.00 -0.48 -0.12 0.00 -0.26 0.00 0.00 64.21 63.35 2f73 n SER 56 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2f73 s LYS 57 N -1.53 2.28 -0.28 4.33 1.02 -0.64 -5.08 119.74 119.84 2f73 s LYS 57 Ca 0.44 -0.86 -0.00 0.00 0.02 0.00 0.00 55.97 55.56 2f73 s LYS 57 Cb 0.27 -2.30 0.05 0.00 -0.52 0.00 0.00 37.83 35.33 2f73 s LYS 57 CO 0.24 0.57 -0.04 0.08 -0.92 0.00 0.00 175.35 175.28 2f73 s VAL 58 N -0.90 2.73 -0.17 3.17 1.01 -1.26 0.28 120.40 125.27 2f73 s VAL 58 Ca 0.15 -1.41 -0.04 0.00 0.00 0.00 0.00 61.98 60.67 2f73 s VAL 58 Cb -0.11 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 2f73 s VAL 58 CO 0.05 -0.05 -0.02 -0.63 0.00 0.00 0.00 175.10 174.45 2f73 s ILE 59 N 1.22 3.98 0.06 2.22 1.01 -0.05 -4.95 121.20 124.69 2f73 s ILE 59 Ca -0.06 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.28 2f73 s ILE 59 Cb -0.19 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 2f73 s ILE 59 CO -0.03 0.48 0.19 -1.10 0.00 0.00 0.00 174.94 174.48 2f73 s GLN 60 N 0.47 3.34 0.12 2.79 -0.21 -1.26 -1.48 119.66 123.42 2f73 s GLN 60 Ca -0.03 -0.48 -0.13 0.00 0.02 0.00 0.00 55.36 54.74 2f73 s GLN 60 Cb -0.14 -2.99 0.02 0.00 1.00 0.00 0.00 33.01 30.90 2f73 s GLN 60 CO 0.02 0.60 0.32 -0.80 -2.12 0.00 0.00 175.29 173.31 2f73 s ASN 61 N -2.48 -0.08 -0.03 5.90 0.01 -0.77 -4.72 114.94 112.76 2f73 s ASN 61 Ca 0.34 -0.49 -0.07 0.00 -0.71 0.00 0.00 52.86 51.93 2f73 s ASN 61 Cb -0.13 0.42 0.01 0.00 0.41 0.00 0.00 41.25 41.96 2f73 s ASN 61 CO 0.27 -0.81 0.17 -1.61 -1.51 0.00 0.00 177.10 173.60 2f73 s GLU 62 N -3.84 0.36 -0.15 -0.60 2.02 -1.26 -1.82 118.70 113.42 2f73 s GLU 62 Ca 0.05 -0.07 -0.30 0.00 0.02 0.00 0.00 54.97 54.66 2f73 s GLU 62 Cb 0.03 0.16 0.12 0.00 0.10 0.00 0.00 34.13 34.54 2f73 s GLU 62 CO -0.11 -0.08 0.98 -0.59 0.02 0.00 0.00 175.26 175.49 2f73 s PHE 63 N -0.67 -0.38 -0.13 1.61 -0.12 0.95 -4.72 117.98 114.53 2f73 s PHE 63 Ca -0.08 0.62 -0.03 0.00 -0.05 0.00 0.00 56.93 57.40 2f73 s PHE 63 Cb -0.04 0.45 -0.03 0.00 -0.63 0.00 0.00 43.02 42.77 2f73 s PHE 63 CO 0.01 -0.36 -0.04 0.99 -0.05 0.00 0.00 175.22 175.77 2f73 s THR 64 N -1.24 3.94 0.32 -4.49 2.01 -1.26 0.13 115.64 115.05 2f73 s THR 64 Ca -0.02 -0.36 -0.29 0.00 0.31 0.00 0.00 61.69 61.33 2f73 s THR 64 Cb -0.00 -2.69 -0.12 0.00 0.01 0.00 0.00 72.50 69.70 2f73 s THR 64 CO 0.01 0.53 1.54 0.52 -0.69 0.00 0.00 174.62 176.54 2f73 n VAL 65 N 3.04 1.40 -0.21 3.82 0.31 -0.77 -1.78 118.33 124.15 2f73 n VAL 65 Ca -0.18 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 2f73 n VAL 65 Cb 0.53 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 2f73 n VAL 65 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2f73 n GLY 66 N 1.50 1.85 3.79 2.92 0.00 -0.34 -4.98 105.19 109.94 2f73 n GLY 66 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.06 2.90 -0.34 1.61 2.12 -0.73 -4.95 118.70 119.24 2f73 s GLU 67 Ca 0.00 -0.78 -0.27 0.00 0.36 0.00 0.00 54.97 54.28 2f73 s GLU 67 Cb 0.00 -2.69 0.02 0.00 0.26 0.00 0.00 34.13 31.71 2f73 s GLU 67 CO 0.00 0.52 0.99 -2.00 -0.54 0.00 0.00 175.26 174.24 2f73 s GLU 68 N -2.76 3.95 0.25 4.30 2.12 -1.26 -4.32 118.70 120.98 2f73 s GLU 68 Ca 0.30 0.81 0.09 0.00 0.36 0.00 0.00 54.97 56.53 2f73 s GLU 68 Cb -0.11 -3.77 -0.05 0.00 0.26 0.00 0.00 34.13 30.46 2f73 s GLU 68 CO 0.23 -0.92 -0.15 0.00 -0.54 0.00 0.00 175.26 173.87 2f73 s GLU 70 N -3.60 3.52 -0.15 0.00 2.12 -1.26 -2.04 118.70 117.29 2f73 s GLU 70 Ca 0.27 -0.36 -0.06 0.00 0.36 0.00 0.00 54.97 55.17 2f73 s GLU 70 Cb -0.02 -3.83 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 2f73 s GLU 70 CO 0.11 -0.63 0.08 -0.51 -0.54 0.00 0.00 175.26 173.76 2f73 s LEU 71 N 2.21 3.96 -0.18 2.70 1.43 0.45 -4.83 118.68 124.42 2f73 s LEU 71 Ca 0.15 0.21 -0.24 0.00 -1.03 0.00 0.00 54.13 53.22 2f73 s LEU 71 Cb -0.16 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 2f73 s LEU 71 CO 0.13 0.28 0.78 -0.70 0.23 0.00 0.00 176.35 177.07 2f73 s GLU 72 N -0.25 4.27 0.93 1.70 2.12 -1.26 -0.02 118.70 126.19 2f73 s GLU 72 Ca 0.09 0.91 -0.14 0.00 0.36 0.00 0.00 54.97 56.19 2f73 s GLU 72 Cb -0.12 -3.58 0.21 0.00 0.26 0.00 0.00 34.13 30.90 2f73 s GLU 72 CO 0.01 -0.33 1.27 0.25 -0.54 0.00 0.00 175.26 175.93 2f73 n THR 73 N 4.78 0.00 1.07 -1.70 -2.24 0.18 -4.92 114.28 111.45 2f73 n THR 73 Ca 0.03 -1.08 0.11 0.00 -2.27 0.00 0.00 64.05 60.84 2f73 n THR 73 Cb 0.49 -1.41 0.56 0.00 -2.10 0.00 0.00 70.33 67.87 2f73 n THR 73 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2f73 n MET 74 N -3.65 0.37 0.00 -0.78 0.00 -1.26 -1.91 117.12 109.89 2f73 n MET 74 Ca 0.17 0.07 0.07 0.00 0.00 0.00 0.00 57.70 58.01 2f73 n MET 74 Cb 0.58 -1.50 0.04 0.00 0.00 0.00 0.00 33.22 32.33 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 -1.24 0.00 -0.08 2.03 -2.24 -1.26 -4.95 114.28 106.54 2f73 n THR 75 Ca 0.11 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2f73 n THR 75 Cb 0.15 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 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 0.92 0.75 3.74 3.38 0.00 -0.80 -5.04 105.19 108.14 2f73 n GLY 76 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.73 4.79 -0.33 1.61 2.12 -1.26 -4.72 118.70 120.18 2f73 s GLU 77 Ca 0.00 1.50 -0.11 0.00 0.36 0.00 0.00 54.97 56.72 2f73 s GLU 77 Cb 0.00 -3.31 -0.01 0.00 0.26 0.00 0.00 34.13 31.08 2f73 s GLU 77 CO 0.00 0.39 0.19 0.15 -0.54 0.00 0.00 175.26 175.45 2f73 s LYS 78 N -0.77 3.32 0.34 4.30 1.02 -1.26 0.49 119.74 127.18 2f73 s LYS 78 Ca 0.43 -0.74 0.08 0.00 0.02 0.00 0.00 55.97 55.77 2f73 s LYS 78 Cb -0.25 -3.67 -0.04 0.00 -0.52 0.00 0.00 37.83 33.34 2f73 s LYS 78 CO 0.32 -0.46 0.12 0.14 -0.92 0.00 0.00 175.35 174.54 2f73 s VAL 79 N 1.64 2.95 -0.05 3.17 -7.23 0.97 -4.89 120.40 116.96 2f73 s VAL 79 Ca 0.05 -1.74 0.06 0.00 -1.81 0.00 0.00 61.98 58.54 2f73 s VAL 79 Cb -0.17 -2.95 -0.01 0.00 0.56 0.00 0.00 36.38 33.81 2f73 s VAL 79 CO 0.08 -0.18 -0.25 -0.54 -0.31 0.00 0.00 175.10 173.90 2f73 s LYS 80 N -3.82 2.45 0.25 4.82 -0.14 -1.26 0.17 119.74 122.20 2f73 s LYS 80 Ca 0.37 -0.89 -0.22 0.00 -1.36 0.00 0.00 55.97 53.88 2f73 s LYS 80 Cb -0.02 -2.11 0.04 0.00 -1.68 0.00 0.00 37.83 34.07 2f73 s LYS 80 CO 0.22 0.40 0.83 -0.08 -0.76 0.00 0.00 175.35 175.96 2f73 s THR 81 N -0.21 0.00 -0.15 2.17 -1.32 -0.87 -4.97 115.64 110.29 2f73 s THR 81 Ca -0.02 -0.86 -0.01 0.00 -1.21 0.00 0.00 61.69 59.59 2f73 s THR 81 Cb -0.13 -2.19 -0.01 0.00 -1.51 0.00 0.00 72.50 68.66 2f73 s THR 81 CO 0.03 0.00 -0.11 -0.69 -2.21 0.00 0.00 174.62 171.64 2f73 s VAL 82 N -3.36 3.07 -0.16 5.08 1.01 -1.26 -2.35 120.40 122.44 2f73 s VAL 82 Ca 0.13 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.33 2f73 s VAL 82 Cb -0.04 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 2f73 s VAL 82 CO 0.06 0.50 0.32 -0.69 0.00 0.00 0.00 175.10 175.29 2f73 s VAL 83 N 0.68 5.29 0.27 2.92 1.01 -1.26 -4.55 120.40 124.75 2f73 s VAL 83 Ca -0.06 0.60 0.12 0.00 0.00 0.00 0.00 61.98 62.64 2f73 s VAL 83 Cb -0.15 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 2f73 s VAL 83 CO 0.02 0.37 -0.18 -1.58 0.00 0.00 0.00 175.10 173.74 2f73 s GLN 84 N 0.54 1.75 -0.13 2.72 2.00 -0.45 -1.19 119.66 124.89 2f73 s GLN 84 Ca 0.18 -1.71 -0.06 0.00 -2.00 0.00 0.00 55.36 51.77 2f73 s GLN 84 Cb -0.13 -1.83 -0.04 0.00 0.80 0.00 0.00 33.01 31.81 2f73 s GLN 84 CO 0.05 0.34 0.08 -1.17 -0.50 0.00 0.00 175.29 174.08 2f73 s LEU 85 N -3.48 3.98 -0.15 3.68 2.96 -1.26 -0.66 118.68 123.74 2f73 s LEU 85 Ca 0.30 0.24 0.01 0.00 -0.22 0.00 0.00 54.13 54.46 2f73 s LEU 85 Cb -0.05 -1.97 0.02 0.00 0.50 0.00 0.00 46.19 44.69 2f73 s LEU 85 CO 0.15 0.31 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.70 2f73 s GLU 86 N -0.47 2.71 7.09 1.98 2.02 0.44 -4.94 118.70 127.53 2f73 s GLU 86 Ca 0.10 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.37 2f73 s GLU 86 Cb -0.12 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 31.80 2f73 s GLU 86 CO 0.02 -0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.56 2f73 n GLY 87 N 4.46 2.05 0.00 -1.39 0.00 -1.26 -2.18 105.19 106.88 2f73 n GLY 87 Ca -0.19 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 6.46 0.58 -0.77 1.61 5.68 -1.26 -4.83 116.55 124.03 2f73 n ASP 88 Ca 0.00 -1.26 0.01 0.00 -0.50 0.00 0.00 54.79 53.04 2f73 n ASP 88 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 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 -0.13 0.24 -3.87 -1.12 0.23 -1.23 -0.35 115.26 109.03 2f73 n ASN 89 Ca 0.00 -1.95 -0.21 0.00 -0.53 0.00 0.00 54.58 51.89 2f73 n ASN 89 Cb 0.38 -0.21 -0.17 0.00 -2.08 0.00 0.00 39.78 37.70 2f73 n ASN 89 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2f73 s LYS 90 N 0.00 0.80 -0.27 -3.83 1.02 -0.93 -0.46 119.74 116.08 2f73 s LYS 90 Ca 0.09 -0.07 -0.03 0.00 0.02 0.00 0.00 55.97 55.98 2f73 s LYS 90 Cb 0.10 -0.88 0.02 0.00 -0.52 0.00 0.00 37.83 36.55 2f73 s LYS 90 CO -0.04 -0.13 -0.01 -0.51 -0.92 0.00 0.00 175.35 173.74 2f73 s LEU 91 N 1.15 3.52 -0.07 3.17 1.43 0.11 0.17 118.68 128.16 2f73 s LEU 91 Ca -0.07 -0.89 0.05 0.00 -1.03 0.00 0.00 54.13 52.19 2f73 s LEU 91 Cb -0.14 -1.74 -0.00 0.00 0.03 0.00 0.00 46.19 44.34 2f73 s LEU 91 CO -0.01 -0.17 -0.22 -0.69 0.23 0.00 0.00 176.35 175.48 2f73 s VAL 92 N 1.37 1.89 0.01 -1.59 1.01 0.17 -1.02 120.40 122.23 2f73 s VAL 92 Ca 0.00 -0.95 -0.15 0.00 0.00 0.00 0.00 61.98 60.89 2f73 s VAL 92 Cb -0.17 -1.62 0.02 0.00 0.00 0.00 0.00 36.38 34.61 2f73 s VAL 92 CO -0.02 0.52 0.32 0.28 0.00 0.00 0.00 175.10 176.20 2f73 s THR 93 N 0.13 0.07 -0.06 3.92 -1.32 -0.18 -1.34 115.64 116.86 2f73 s THR 93 Ca -0.11 -0.56 0.03 0.00 -1.21 0.00 0.00 61.69 59.84 2f73 s THR 93 Cb -0.15 -0.78 0.01 0.00 -1.51 0.00 0.00 72.50 70.06 2f73 s THR 93 CO 0.06 -0.31 -0.14 -0.89 -2.21 0.00 0.00 174.62 171.13 2f73 s THR 94 N -1.93 1.23 -0.27 5.08 2.01 -1.26 0.13 115.64 120.63 2f73 s THR 94 Ca -0.09 -0.56 -0.25 0.00 0.31 0.00 0.00 61.69 61.10 2f73 s THR 94 Cb -0.03 -1.10 0.07 0.00 0.01 0.00 0.00 72.50 71.46 2f73 s THR 94 CO 0.01 0.37 0.75 0.72 -0.69 0.00 0.00 174.62 175.78 2f73 s PHE 95 N 0.44 -0.76 -1.28 4.92 -0.12 -0.68 -4.76 117.98 115.74 2f73 s PHE 95 Ca -0.11 1.86 -0.07 0.00 -0.05 0.00 0.00 56.93 58.56 2f73 s PHE 95 Cb -0.14 0.28 0.05 0.00 -0.63 0.00 0.00 43.02 42.58 2f73 s PHE 95 CO 0.03 -0.37 0.43 1.63 -0.05 0.00 0.00 175.22 176.90 2f73 n LYS 96 N 2.65 -3.42 -0.60 1.99 5.02 -1.26 -0.36 118.16 122.18 2f73 n LYS 96 Ca -0.14 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 2f73 n LYS 96 Cb 0.55 -5.26 0.00 0.00 -0.02 0.00 0.00 35.03 30.31 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 -2.24 0.00 -4.55 4.39 3.02 -1.26 -4.99 115.26 109.63 2f73 n ASN 97 Ca -0.05 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.09 2f73 n ASN 97 Cb 0.56 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.65 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 -3.58 5.06 -0.23 2.41 -1.09 0.51 -4.60 121.20 119.68 2f73 s ILE 98 Ca 0.00 0.21 -0.22 0.00 -2.23 0.00 0.00 60.65 58.42 2f73 s ILE 98 Cb 0.00 -3.94 -0.02 0.00 -1.58 0.00 0.00 42.46 36.92 2f73 s ILE 98 CO 0.00 -0.21 0.69 -0.75 -1.23 0.00 0.00 174.94 173.44 2f73 s LYS 99 N 2.29 4.17 -0.12 2.79 2.20 -0.95 -1.68 119.74 128.44 2f73 s LYS 99 Ca 0.17 0.68 -0.02 0.00 -0.36 0.00 0.00 55.97 56.44 2f73 s LYS 99 Cb -0.16 -3.62 -0.03 0.00 -1.51 0.00 0.00 37.83 32.51 2f73 s LYS 99 CO 0.13 -0.38 -0.05 0.45 -0.36 0.00 0.00 175.35 175.14 2f73 s SER 100 N 1.34 4.72 -0.12 1.43 0.15 0.35 -1.59 113.70 119.99 2f73 s SER 100 Ca 0.30 -0.09 -0.02 0.00 0.70 0.00 0.00 55.95 56.84 2f73 s SER 100 Cb -0.16 -1.55 0.04 0.00 -1.71 0.00 0.00 66.02 62.64 2f73 s SER 100 CO 0.09 0.25 -0.00 -0.69 1.20 0.00 0.00 173.24 174.09 2f73 s VAL 101 N -0.10 0.56 -0.25 4.45 1.01 0.10 -1.01 120.40 125.15 2f73 s VAL 101 Ca 0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 2f73 s VAL 101 Cb -0.13 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.45 2f73 s VAL 101 CO 0.03 0.11 -0.01 -0.89 0.00 0.00 0.00 175.10 174.34 2f73 s THR 102 N 1.88 3.43 -0.06 3.92 2.01 -0.19 -0.46 115.64 126.17 2f73 s THR 102 Ca 0.03 -0.70 0.05 0.00 0.31 0.00 0.00 61.69 61.38 2f73 s THR 102 Cb -0.14 -2.68 -0.00 0.00 0.01 0.00 0.00 72.50 69.69 2f73 s THR 102 CO -0.07 0.25 -0.21 -0.70 -0.69 0.00 0.00 174.62 173.20 2f73 s GLU 103 N 1.44 2.36 -0.42 4.92 2.12 0.29 -0.71 118.70 128.70 2f73 s GLU 103 Ca 0.03 -0.76 -0.14 0.00 0.36 0.00 0.00 54.97 54.46 2f73 s GLU 103 Cb -0.16 -1.94 0.04 0.00 0.26 0.00 0.00 34.13 32.33 2f73 s GLU 103 CO -0.02 0.26 0.30 -1.17 -0.54 0.00 0.00 175.26 174.09 2f73 s LEU 104 N 0.10 5.18 -0.75 2.70 0.20 0.39 -0.96 118.68 125.54 2f73 s LEU 104 Ca -0.08 -1.10 0.01 0.00 0.69 0.00 0.00 54.13 53.64 2f73 s LEU 104 Cb -0.14 -2.12 0.18 0.00 -0.43 0.00 0.00 46.19 43.68 2f73 s LEU 104 CO 0.05 -0.50 0.58 0.20 -0.29 0.00 0.00 176.35 176.39 2f73 s ASN 105 N 1.95 5.31 0.83 3.68 0.01 0.67 -4.81 114.94 122.58 2f73 s ASN 105 Ca 0.04 -3.60 0.00 0.00 -0.71 0.00 0.00 52.86 48.59 2f73 s ASN 105 Cb -0.21 -1.78 0.00 0.00 0.41 0.00 0.00 41.25 39.68 2f73 s ASN 105 CO 0.08 -0.17 0.00 0.61 -1.51 0.00 0.00 177.10 176.10 2f73 n GLY 106 N 2.41 1.23 0.77 0.66 0.00 -1.26 -2.80 105.19 106.20 2f73 n GLY 106 Ca 0.17 -0.70 0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 6.67 2.41 -4.72 1.61 8.00 -1.26 -4.87 116.55 124.38 2f73 n ASP 107 Ca 0.00 -1.80 -0.35 0.00 0.71 0.00 0.00 54.79 53.34 2f73 n ASP 107 Cb 0.00 -0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 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 -2.00 5.39 -0.12 0.53 -1.09 -1.12 0.10 121.20 122.89 2f73 s ILE 108 Ca 0.32 0.23 0.01 0.00 -2.23 0.00 0.00 60.65 58.98 2f73 s ILE 108 Cb 0.20 -3.49 -0.01 0.00 -1.58 0.00 0.00 42.46 37.58 2f73 s ILE 108 CO 0.31 0.42 -0.16 -0.51 -1.23 0.00 0.00 174.94 173.77 2f73 s ILE 109 N 0.49 2.77 -0.11 2.92 -1.16 -0.31 -0.24 121.20 125.58 2f73 s ILE 109 Ca 0.09 -0.76 0.03 0.00 -0.51 0.00 0.00 60.65 59.49 2f73 s ILE 109 Cb -0.12 -2.14 0.01 0.00 0.61 0.00 0.00 42.46 40.82 2f73 s ILE 109 CO -0.00 0.54 -0.21 -0.89 -2.81 0.00 0.00 174.94 171.56 2f73 s THR 110 N 0.32 1.87 -0.16 4.00 2.01 -0.13 -0.76 115.64 122.79 2f73 s THR 110 Ca -0.13 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.00 2f73 s THR 110 Cb -0.16 -1.64 0.02 0.00 0.01 0.00 0.00 72.50 70.72 2f73 s THR 110 CO 0.06 0.52 -0.18 0.21 -0.69 0.00 0.00 174.62 174.54 2f73 s ASN 111 N 0.61 2.95 -0.14 3.53 3.84 0.01 -0.55 114.94 125.19 2f73 s ASN 111 Ca -0.13 -0.58 0.02 0.00 0.21 0.00 0.00 52.86 52.38 2f73 s ASN 111 Cb -0.17 -1.36 0.01 0.00 -0.55 0.00 0.00 41.25 39.19 2f73 s ASN 111 CO 0.04 -0.00 -0.20 -0.89 -2.79 0.00 0.00 177.10 173.25 2f73 s THR 112 N 1.25 1.93 -0.21 -5.21 2.01 0.39 -1.36 115.64 114.45 2f73 s THR 112 Ca 0.02 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.14 2f73 s THR 112 Cb -0.13 -1.73 0.03 0.00 0.01 0.00 0.00 72.50 70.68 2f73 s THR 112 CO -0.10 0.52 -0.17 -0.04 -0.69 0.00 0.00 174.62 174.15 2f73 s MET 113 N 0.94 2.76 -0.14 4.92 -1.94 0.02 -0.72 119.30 125.14 2f73 s MET 113 Ca -0.05 -0.99 -0.03 0.00 -1.71 0.00 0.00 55.69 52.91 2f73 s MET 113 Cb -0.15 -2.69 -0.03 0.00 2.01 0.00 0.00 34.83 33.97 2f73 s MET 113 CO -0.04 -0.33 -0.04 0.95 -0.01 0.00 0.00 175.02 175.55 2f73 s THR 114 N 1.24 3.87 -0.27 2.05 -4.23 -0.62 -1.37 115.64 116.31 2f73 s THR 114 Ca 0.01 -0.37 -0.00 0.00 -1.18 0.00 0.00 61.69 60.14 2f73 s THR 114 Cb -0.15 -2.68 0.08 0.00 1.34 0.00 0.00 72.50 71.09 2f73 s THR 114 CO -0.10 0.51 0.04 -0.22 -0.54 0.00 0.00 174.62 174.31 2f73 s LEU 115 N 0.21 2.39 0.00 4.79 2.96 -0.32 -2.23 118.68 126.48 2f73 s LEU 115 Ca -0.02 -1.42 0.00 0.00 -0.22 0.00 0.00 54.13 52.47 2f73 s LEU 115 Cb -0.14 -0.97 0.00 0.00 0.50 0.00 0.00 46.19 45.58 2f73 s LEU 115 CO 0.03 -0.35 0.00 0.61 -1.32 0.00 0.00 176.35 175.32 2f73 n GLY 116 N 4.78 3.61 0.06 7.98 0.00 -1.26 -1.73 105.19 118.62 2f73 n GLY 116 Ca -0.05 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 9.08 0.97 -4.62 1.61 8.00 -1.26 -4.87 116.55 125.46 2f73 n ASP 117 Ca 0.00 -0.84 -0.43 0.00 0.71 0.00 0.00 54.79 54.23 2f73 n ASP 117 Cb 0.00 0.70 -0.02 0.00 -0.02 0.00 0.00 41.12 41.78 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 -2.92 4.28 -0.27 0.53 1.01 -0.71 -5.00 121.20 118.12 2f73 s ILE 118 Ca 0.11 1.39 -0.09 0.00 0.00 0.00 0.00 60.65 62.06 2f73 s ILE 118 Cb 0.17 -4.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 2f73 s ILE 118 CO 0.78 -0.74 0.12 -0.69 0.00 0.00 0.00 174.94 174.41 2f73 s VAL 119 N 4.24 4.71 -0.28 2.92 1.01 -1.26 -1.17 120.40 130.56 2f73 s VAL 119 Ca 0.49 -0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.36 2f73 s VAL 119 Cb -0.11 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 33.07 2f73 s VAL 119 CO 0.25 0.28 0.01 0.12 0.00 0.00 0.00 175.10 175.76 2f73 s PHE 120 N 1.67 3.16 -0.07 5.22 5.99 -0.47 -4.60 117.98 128.89 2f73 s PHE 120 Ca 0.06 -1.47 0.03 0.00 0.00 0.00 0.00 56.93 55.55 2f73 s PHE 120 Cb -0.16 -2.15 0.01 0.00 0.00 0.00 0.00 43.02 40.72 2f73 s PHE 120 CO 0.07 -0.71 -0.16 0.21 -0.00 0.00 0.00 175.22 174.62 2f73 s LYS 121 N 1.36 2.06 -0.13 10.12 2.20 -0.93 -0.80 119.74 133.63 2f73 s LYS 121 Ca -0.01 -0.58 0.03 0.00 -0.36 0.00 0.00 55.97 55.05 2f73 s LYS 121 Cb -0.18 -1.67 0.01 0.00 -1.51 0.00 0.00 37.83 34.48 2f73 s LYS 121 CO -0.01 0.12 -0.22 1.03 -0.36 0.00 0.00 175.35 175.91 2f73 s ARG 122 N 0.43 2.97 -0.25 4.03 0.52 -0.47 -0.25 118.95 125.94 2f73 s ARG 122 Ca -0.13 -0.84 -0.02 0.00 -0.52 0.00 0.00 55.73 54.21 2f73 s ARG 122 Cb -0.15 -2.37 0.02 0.00 0.52 0.00 0.00 34.95 32.97 2f73 s ARG 122 CO 0.05 0.03 -0.05 0.42 0.02 0.00 0.00 175.30 175.77 2f73 s ILE 123 N 0.71 3.04 0.15 1.52 1.01 0.87 -0.81 121.20 127.69 2f73 s ILE 123 Ca -0.10 -0.92 0.08 0.00 0.00 0.00 0.00 60.65 59.71 2f73 s ILE 123 Cb -0.16 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 2f73 s ILE 123 CO 0.01 0.22 -0.06 -0.44 0.00 0.00 0.00 174.94 174.67 2f73 s SER 124 N 1.36 4.50 -0.14 3.58 0.01 0.06 -0.53 113.70 122.55 2f73 s SER 124 Ca 0.01 -0.44 -0.02 0.00 1.31 0.00 0.00 55.95 56.81 2f73 s SER 124 Cb -0.16 -0.88 -0.02 0.00 0.21 0.00 0.00 66.02 65.17 2f73 s SER 124 CO -0.04 0.12 -0.08 -0.75 0.41 0.00 0.00 173.24 172.91 2f73 s LYS 125 N -2.66 3.47 0.38 12.44 2.47 0.15 -1.16 119.74 134.84 2f73 s LYS 125 Ca 0.25 -0.59 -0.27 0.00 -1.56 0.00 0.00 55.97 53.80 2f73 s LYS 125 Cb -0.10 -2.77 -0.09 0.00 -1.46 0.00 0.00 37.83 33.41 2f73 s LYS 125 CO 0.16 0.27 1.24 0.50 0.16 0.00 0.00 175.35 177.68 2f73 s ARG 126 N 0.24 4.15 0.00 4.03 3.52 0.11 0.57 118.95 131.57 2f73 s ARG 126 Ca -0.05 2.02 0.00 0.00 -0.13 0.00 0.00 55.73 57.57 2f73 s ARG 126 Cb -0.15 -2.84 0.00 0.00 -1.56 0.00 0.00 34.95 30.41 2f73 s ARG 126 CO 0.04 -0.30 0.38 0.44 -0.81 0.00 0.00 175.30 175.05