#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 0.19 -0.19 1.09 2.56 -1.26 -5.14 118.70 115.94 2f73 s GLU -6 Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 54.97 54.69 2f73 s GLU -6 Cb 0.00 -0.12 -0.05 0.00 2.00 0.00 0.00 34.13 35.96 2f73 s GLU -6 CO 0.00 0.03 0.22 -0.80 -0.56 0.00 0.00 175.26 174.15 2f73 s ASN -5 N -0.28 6.30 -0.37 -1.70 -0.87 -1.26 -5.07 114.94 111.70 2f73 s ASN -5 Ca -0.02 0.34 -0.10 0.00 -1.57 0.00 0.00 52.86 51.51 2f73 s ASN -5 Cb -0.02 -2.14 0.03 0.00 -0.02 0.00 0.00 41.25 39.10 2f73 s ASN -5 CO -0.00 0.10 0.19 -0.76 -2.57 0.00 0.00 177.10 174.06 2f73 s LEU -4 N 0.63 4.64 -0.27 0.60 1.02 -1.26 -5.09 118.68 118.94 2f73 s LEU -4 Ca 0.12 -1.01 -0.10 0.00 0.02 0.00 0.00 54.13 53.16 2f73 s LEU -4 Cb -0.13 -2.00 -0.04 0.00 0.02 0.00 0.00 46.19 44.05 2f73 s LEU -4 CO 0.02 -0.37 0.15 -0.31 0.02 0.00 0.00 176.35 175.86 2f73 s TYR -3 N 1.53 3.17 0.17 0.29 4.12 -1.26 -5.09 117.35 120.27 2f73 s TYR -3 Ca 0.01 -0.13 0.11 0.00 0.02 0.00 0.00 57.07 57.08 2f73 s TYR -3 Cb -0.19 -2.33 -0.04 0.00 -1.52 0.00 0.00 41.96 37.88 2f73 s TYR -3 CO 0.06 -0.26 -0.24 -0.06 0.02 0.00 0.00 175.55 175.07 2f73 s PHE -2 N 1.70 2.33 -0.08 2.71 0.08 -1.26 -5.14 117.98 118.32 2f73 s PHE -2 Ca 0.07 -0.36 -0.02 0.00 0.12 0.00 0.00 56.93 56.74 2f73 s PHE -2 Cb -0.16 -1.20 0.03 0.00 -0.57 0.00 0.00 43.02 41.13 2f73 s PHE -2 CO 0.08 0.44 0.01 -1.14 -0.10 0.00 0.00 175.22 174.51 2f73 s GLN -1 N -2.43 0.56 0.24 0.44 0.74 -1.26 -5.15 119.66 112.80 2f73 s GLN -1 Ca 0.18 0.07 0.09 0.00 0.05 0.00 0.00 55.36 55.76 2f73 s GLN -1 Cb -0.09 -1.07 -0.04 0.00 1.10 0.00 0.00 33.01 32.91 2f73 s GLN -1 CO 0.09 -0.34 -0.03 -1.54 -0.55 0.00 0.00 175.29 172.91 2f73 s SER 0 N 1.98 4.46 1.21 6.67 1.04 -1.26 -4.56 113.70 123.24 2f73 s SER 0 Ca 0.04 -0.62 -0.16 0.00 0.48 0.00 0.00 55.95 55.70 2f73 s SER 0 Cb -0.13 -0.81 0.30 0.00 0.10 0.00 0.00 66.02 65.48 2f73 s SER 0 CO -0.05 0.04 1.02 -0.04 0.98 0.00 0.00 173.24 175.18 2f73 s MET 1 N -3.38 -1.30 -0.16 4.02 1.00 -0.24 -4.95 119.30 114.29 2f73 s MET 1 Ca 0.29 0.53 -0.12 0.00 0.00 0.00 0.00 55.69 56.39 2f73 s MET 1 Cb -0.07 -1.53 -0.05 0.00 0.00 0.00 0.00 34.83 33.18 2f73 s MET 1 CO 0.18 -3.90 0.24 0.45 0.00 0.00 0.00 175.02 171.99 2f73 s SER 2 N -2.91 6.38 0.04 3.03 0.15 -1.26 -4.93 113.70 114.19 2f73 s SER 2 Ca 0.68 0.44 0.23 0.00 0.70 0.00 0.00 55.95 58.00 2f73 s SER 2 Cb -0.20 -2.15 0.20 0.00 -1.71 0.00 0.00 66.02 62.16 2f73 s SER 2 CO 0.62 0.15 1.17 0.49 1.20 0.00 0.00 173.24 176.87 2f73 n PHE 3 N 3.39 0.18 -1.61 3.44 3.72 -1.26 -4.95 117.46 120.37 2f73 n PHE 3 Ca -0.14 0.05 -0.51 0.00 -0.05 0.00 0.00 57.45 56.80 2f73 n PHE 3 Cb 0.52 -0.35 -0.06 0.00 -0.94 0.00 0.00 39.48 38.65 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 -1.77 1.98 0.00 4.37 7.64 -1.26 -4.60 113.62 119.99 2f73 n SER 4 Ca 0.03 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.02 2f73 n SER 4 Cb 0.39 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 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 2.84 -0.59 3.35 0.23 0.00 0.70 -4.93 105.19 106.80 2f73 n GLY 5 Ca 0.19 -1.24 -0.33 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 -2.00 3.08 -0.10 1.61 3.01 -1.26 -0.74 119.74 123.34 2f73 s LYS 6 Ca 0.00 -0.75 0.02 0.00 -1.01 0.00 0.00 55.97 54.23 2f73 s LYS 6 Cb 0.00 -2.48 0.01 0.00 -1.01 0.00 0.00 37.83 34.36 2f73 s LYS 6 CO 0.00 0.30 -0.16 0.71 0.51 0.00 0.00 175.35 176.71 2f73 s TYR 7 N 0.10 1.96 -0.18 3.18 1.51 0.66 -1.66 117.35 122.92 2f73 s TYR 7 Ca -0.08 -0.88 -0.19 0.00 -1.01 0.00 0.00 57.07 54.91 2f73 s TYR 7 Cb -0.15 -1.40 -0.03 0.00 -0.11 0.00 0.00 41.96 40.27 2f73 s TYR 7 CO 0.05 -0.44 0.56 -1.14 -1.11 0.00 0.00 175.55 173.47 2f73 s GLN 8 N 0.87 4.23 -0.14 -0.62 2.00 0.14 -0.31 119.66 125.83 2f73 s GLN 8 Ca -0.09 0.51 -0.29 0.00 -2.00 0.00 0.00 55.36 53.48 2f73 s GLN 8 Cb -0.15 -3.54 -0.03 0.00 0.80 0.00 0.00 33.01 30.09 2f73 s GLN 8 CO 0.00 -0.13 1.41 -1.17 -0.50 0.00 0.00 175.29 174.90 2f73 s LEU 9 N 1.55 4.20 -0.16 3.68 2.96 -0.70 0.27 118.68 130.48 2f73 s LEU 9 Ca 0.26 1.84 -0.12 0.00 -0.22 0.00 0.00 54.13 55.89 2f73 s LEU 9 Cb -0.16 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.93 2f73 s LEU 9 CO 0.10 -0.85 -0.08 0.00 -1.32 0.00 0.00 176.35 174.20 2f73 n GLN 10 N 6.86 0.48 -4.13 1.98 1.13 0.19 -4.76 117.38 119.13 2f73 n GLN 10 Ca 0.15 0.54 -0.15 0.00 -1.94 0.00 0.00 57.00 55.60 2f73 n GLN 10 Cb 0.44 -1.70 -0.14 0.00 0.11 0.00 0.00 30.24 28.95 2f73 n GLN 10 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2f73 s SER 11 N -6.03 0.64 0.00 1.08 0.15 -1.03 -5.02 113.70 103.50 2f73 s SER 11 Ca -0.19 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.29 2f73 s SER 11 Cb 0.03 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 2f73 s SER 11 CO 0.31 0.01 0.00 1.67 1.20 0.00 0.00 173.24 176.44 2f73 n GLN 12 N 2.68 2.51 0.00 5.44 7.27 -1.26 -0.45 117.38 133.57 2f73 n GLN 12 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.92 2f73 n GLN 12 Cb 0.58 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.23 2f73 n GLN 12 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2f73 n GLU 13 N -0.27 0.00 -1.24 3.69 1.02 -0.99 -4.86 120.64 118.00 2f73 n GLU 13 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 2f73 n GLU 13 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 2f73 n GLU 13 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2f73 n ASN 14 N 0.00 -3.72 -0.02 1.62 4.13 -1.26 -2.24 115.26 113.77 2f73 n ASN 14 Ca 0.00 0.15 -0.13 0.00 1.68 0.00 0.00 54.58 56.28 2f73 n ASN 14 Cb 0.00 -1.87 -0.07 0.00 -1.54 0.00 0.00 39.78 36.30 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 -1.34 0.12 3.10 3.57 -1.94 -1.05 116.94 119.40 2f73 h PHE 15 Ca -0.14 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.43 2f73 h PHE 15 Cb 0.47 0.61 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 2f73 h PHE 15 CO 0.18 -0.50 -0.24 0.93 -2.23 0.00 0.00 178.31 176.46 2f73 h GLU 16 N -0.51 -0.43 -0.47 1.11 5.08 -1.92 -1.01 114.58 116.44 2f73 h GLU 16 Ca 0.07 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 2f73 h GLU 16 Cb 0.64 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.91 2f73 h GLU 16 CO -0.43 -0.28 -0.49 0.00 -1.00 0.00 0.00 179.01 176.81 2f73 h ALA 17 N 0.32 -0.67 -0.06 3.43 0.00 -1.87 0.34 119.26 120.76 2f73 h ALA 17 Ca 0.03 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2f73 h ALA 17 Cb 0.46 1.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.34 2f73 h ALA 17 CO -0.13 -0.93 -0.24 0.35 0.00 0.00 0.00 179.25 178.30 2f73 h PHE 18 N -0.27 -0.64 -0.68 0.00 3.57 -1.05 -1.16 116.94 116.71 2f73 h PHE 18 Ca 0.08 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.69 2f73 h PHE 18 Cb 0.48 0.29 -0.07 0.00 2.79 0.00 0.00 35.95 39.45 2f73 h PHE 18 CO -0.78 -0.33 0.34 0.52 -2.23 0.00 0.00 178.31 175.83 2f73 h MET 19 N -0.34 0.57 0.00 1.11 2.86 -0.46 0.45 114.93 119.11 2f73 h MET 19 Ca 0.08 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2f73 h MET 19 Cb 0.46 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2f73 h MET 19 CO -0.25 0.38 0.00 1.63 1.06 0.00 0.00 176.91 179.72 2f73 n LYS 20 N -4.87 0.87 -0.02 1.72 5.02 0.11 -1.77 118.16 119.22 2f73 n LYS 20 Ca 0.10 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.45 2f73 n LYS 20 Cb 0.25 -1.38 -0.13 0.00 -0.02 0.00 0.00 35.03 33.75 2f73 n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2f73 n ALA 21 N -0.88 2.49 -1.08 7.82 0.00 0.15 -4.35 120.51 124.65 2f73 n ALA 21 Ca 0.16 -0.48 -0.02 0.00 0.00 0.00 0.00 53.44 53.10 2f73 n ALA 21 Cb 0.07 -0.51 0.29 0.00 0.00 0.00 0.00 19.45 19.31 2f73 n ALA 21 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2f73 n ILE 22 N -2.14 2.78 -3.31 0.00 -5.35 -0.54 -4.93 119.36 105.86 2f73 n ILE 22 Ca -0.06 -1.80 -0.17 0.00 -0.27 0.00 0.00 62.75 60.45 2f73 n ILE 22 Cb 0.51 -0.33 0.06 0.00 -1.74 0.00 0.00 39.64 38.14 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 -0.30 -1.15 3.33 3.28 0.00 -1.23 -4.91 105.19 104.22 2f73 n GLY 23 Ca 0.36 0.56 -0.34 0.00 0.00 0.00 0.00 46.02 46.60 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 -5.47 2.84 -0.13 0.99 1.98 -0.73 -5.04 118.68 113.12 2f73 s LEU 24 Ca 0.43 -0.36 -0.40 0.00 -2.89 0.00 0.00 54.13 50.91 2f73 s LEU 24 Cb -0.07 -1.70 -0.17 0.00 0.66 0.00 0.00 46.19 44.91 2f73 s LEU 24 CO 0.76 0.05 1.49 -2.65 -1.89 0.00 0.00 176.35 174.10 2f73 n PRO 25 N 4.34 0.88 0.10 0.98 -0.02 -1.26 -4.61 135.00 135.41 2f73 n PRO 25 Ca -0.18 0.32 0.10 0.00 -2.02 0.00 0.00 63.50 61.72 2f73 n PRO 25 Cb 0.51 -1.94 0.45 0.00 -0.02 0.00 0.00 33.50 32.50 2f73 n PRO 25 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2f73 n GLU 26 N 3.63 0.14 0.07 -0.52 2.13 -1.26 -2.15 120.64 122.68 2f73 n GLU 26 Ca 0.23 0.42 -0.05 0.00 0.66 0.00 0.00 57.16 58.42 2f73 n GLU 26 Cb 0.13 -1.79 -0.03 0.00 0.27 0.00 0.00 31.44 30.02 2f73 n GLU 26 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2f73 h GLU 27 N 0.00 -0.24 -0.27 5.31 4.81 -1.99 -2.81 114.58 119.40 2f73 h GLU 27 Ca 0.00 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 2f73 h GLU 27 Cb 0.29 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.65 2f73 h GLU 27 CO 0.00 -0.16 -0.53 -0.07 -0.73 0.00 0.00 179.01 177.52 2f73 h LEU 28 N -0.25 -1.72 -0.49 1.64 3.38 -1.86 -1.55 115.31 114.46 2f73 h LEU 28 Ca -0.01 0.22 0.14 0.00 0.09 0.00 0.00 57.88 58.31 2f73 h LEU 28 Cb 0.22 0.69 -0.09 0.00 0.09 0.00 0.00 40.66 41.57 2f73 h LEU 28 CO -0.03 -0.44 0.02 -0.38 0.09 0.00 0.00 178.44 177.70 2f73 n ILE 29 N -5.41 -0.21 0.75 1.22 5.41 -0.91 0.38 119.36 120.59 2f73 n ILE 29 Ca -0.04 1.08 0.11 0.00 1.00 0.00 0.00 62.75 64.89 2f73 n ILE 29 Cb 0.36 -1.58 0.12 0.00 -0.71 0.00 0.00 39.64 37.83 2f73 n ILE 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2f73 n GLN 30 N -4.55 2.13 0.03 0.38 6.02 -0.81 -2.14 117.38 118.43 2f73 n GLN 30 Ca 0.12 -1.90 -0.21 0.00 -0.01 0.00 0.00 57.00 54.99 2f73 n GLN 30 Cb 0.39 -1.43 -0.14 0.00 1.02 0.00 0.00 30.24 30.07 2f73 n GLN 30 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 2f73 h LYS 31 N 4.25 0.28 -1.75 -1.09 3.64 0.79 -3.35 116.57 119.34 2f73 h LYS 31 Ca 0.00 -0.48 -0.65 0.00 -1.27 0.00 0.00 60.65 58.25 2f73 h LYS 31 Cb 0.92 0.18 -0.37 0.00 -0.41 0.00 0.00 32.23 32.55 2f73 h LYS 31 CO 0.00 1.23 -0.11 0.41 -2.27 0.00 0.00 179.45 178.71 2f73 n GLY 32 N 1.73 5.84 0.09 5.01 0.00 0.16 -4.78 105.19 113.24 2f73 n GLY 32 Ca -0.22 -2.68 -0.13 0.00 0.00 0.00 0.00 46.02 42.99 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 -0.46 0.51 -0.68 1.61 4.81 -0.91 -3.91 118.16 119.12 2f73 n LYS 33 Ca 0.43 0.46 0.04 0.00 -0.87 0.00 0.00 58.31 58.37 2f73 n LYS 33 Cb 0.49 -1.64 0.29 0.00 0.02 0.00 0.00 35.03 34.19 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 -4.50 4.47 -4.69 3.14 9.92 -1.26 -4.94 116.55 118.69 2f73 n ASP 34 Ca -0.21 -2.71 -0.42 0.00 -0.53 0.00 0.00 54.79 50.92 2f73 n ASP 34 Cb 0.49 -0.64 -0.03 0.00 -0.64 0.00 0.00 41.12 40.30 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 -2.31 4.80 -0.90 0.53 1.01 -1.26 -4.99 121.20 118.07 2f73 s ILE 35 Ca 0.40 2.01 -0.04 0.00 0.00 0.00 0.00 60.65 63.02 2f73 s ILE 35 Cb 0.31 -4.30 0.22 0.00 0.01 0.00 0.00 42.46 38.71 2f73 s ILE 35 CO 0.12 0.01 0.80 -0.54 0.00 0.00 0.00 174.94 175.33 2f73 s LYS 36 N 1.97 3.39 0.67 2.79 3.01 -1.26 -4.83 119.74 125.47 2f73 s LYS 36 Ca 0.48 -3.16 -0.08 0.00 -1.01 0.00 0.00 55.97 52.20 2f73 s LYS 36 Cb -0.18 -4.06 0.15 0.00 -1.01 0.00 0.00 37.83 32.72 2f73 s LYS 36 CO 0.18 -1.25 0.91 0.41 0.51 0.00 0.00 175.35 176.10 2f73 n GLY 37 N 2.58 -0.63 3.36 -3.33 0.00 -1.26 -4.57 105.19 101.34 2f73 n GLY 37 Ca 0.20 -1.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.84 2.47 0.05 1.61 1.01 -1.25 -1.71 120.40 119.73 2f73 s VAL 38 Ca 0.54 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.67 2f73 s VAL 38 Cb -0.02 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 2f73 s VAL 38 CO 0.37 0.58 -0.22 -0.44 0.00 0.00 0.00 175.10 175.39 2f73 s SER 39 N -0.50 2.70 0.21 3.32 0.01 0.58 -4.23 113.70 115.78 2f73 s SER 39 Ca 0.06 -0.56 0.11 0.00 1.31 0.00 0.00 55.95 56.88 2f73 s SER 39 Cb -0.11 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 2f73 s SER 39 CO 0.01 0.18 -0.23 -0.70 0.41 0.00 0.00 173.24 172.91 2f73 s GLU 40 N -1.27 1.56 -0.01 12.44 2.12 -0.16 0.24 118.70 133.62 2f73 s GLU 40 Ca 0.09 -1.55 0.01 0.00 0.36 0.00 0.00 54.97 53.87 2f73 s GLU 40 Cb -0.09 -1.84 0.00 0.00 0.26 0.00 0.00 34.13 32.46 2f73 s GLU 40 CO 0.02 0.39 -0.03 0.42 -0.54 0.00 0.00 175.26 175.53 2f73 s ILE 41 N -1.79 0.23 -0.24 -3.70 1.01 0.08 -1.04 121.20 115.75 2f73 s ILE 41 Ca 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.76 2f73 s ILE 41 Cb -0.08 -0.22 0.07 0.00 0.01 0.00 0.00 42.46 42.25 2f73 s ILE 41 CO 0.11 0.08 0.01 -0.69 0.00 0.00 0.00 174.94 174.45 2f73 s VAL 42 N 0.07 1.11 -0.13 2.92 1.01 -0.21 -0.22 120.40 124.95 2f73 s VAL 42 Ca -0.00 -1.11 -0.02 0.00 0.00 0.00 0.00 61.98 60.84 2f73 s VAL 42 Cb -0.03 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 2f73 s VAL 42 CO -0.00 -0.28 -0.05 -1.58 0.00 0.00 0.00 175.10 173.18 2f73 s GLN 43 N 1.56 3.44 -0.34 2.72 0.74 -1.26 -2.41 119.66 124.12 2f73 s GLN 43 Ca -0.00 -0.53 -0.01 0.00 0.05 0.00 0.00 55.36 54.87 2f73 s GLN 43 Cb -0.18 -2.82 0.11 0.00 1.10 0.00 0.00 33.01 31.22 2f73 s GLN 43 CO -0.11 0.34 0.14 -0.80 -0.55 0.00 0.00 175.29 174.32 2f73 s ASN 44 N 0.07 3.75 1.88 6.67 -0.87 0.35 -4.80 114.94 121.99 2f73 s ASN 44 Ca -0.01 -1.85 0.00 0.00 -1.57 0.00 0.00 52.86 49.43 2f73 s ASN 44 Cb -0.14 -0.76 0.00 0.00 -0.02 0.00 0.00 41.25 40.33 2f73 s ASN 44 CO 0.03 -0.38 0.00 0.61 -2.57 0.00 0.00 177.10 174.79 2f73 n GLY 45 N 4.55 3.58 0.11 0.66 0.00 -1.26 -0.80 105.19 112.04 2f73 n GLY 45 Ca 0.01 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.29 2f73 n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f73 h LYS 46 N 0.00 0.00 -6.52 1.61 1.57 -1.96 -3.46 116.57 107.81 2f73 h LYS 46 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 2f73 h LYS 46 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2f73 h LYS 46 CO 0.00 0.00 0.33 -1.58 -0.57 0.00 0.00 179.45 177.63 2f73 s HIS 47 N -3.27 3.80 0.08 -1.35 2.46 0.02 -2.04 115.29 114.98 2f73 s HIS 47 Ca 0.03 1.75 0.06 0.00 0.47 0.00 0.00 55.06 57.36 2f73 s HIS 47 Cb 0.10 -3.02 -0.03 0.00 -0.13 0.00 0.00 32.58 29.50 2f73 s HIS 47 CO 0.74 0.21 -0.16 -0.06 -2.47 0.00 0.00 174.74 173.01 2f73 s PHE 48 N 0.01 1.36 -0.25 3.88 0.40 0.59 -0.50 117.98 123.47 2f73 s PHE 48 Ca 0.46 -0.45 -0.03 0.00 -0.60 0.00 0.00 56.93 56.31 2f73 s PHE 48 Cb -0.23 -0.76 0.14 0.00 0.51 0.00 0.00 43.02 42.68 2f73 s PHE 48 CO 0.29 0.09 0.44 0.21 0.70 0.00 0.00 175.22 176.95 2f73 s LYS 49 N -1.77 0.40 -0.03 0.44 2.36 -1.01 -0.98 119.74 119.15 2f73 s LYS 49 Ca 0.00 0.75 0.02 0.00 -2.55 0.00 0.00 55.97 54.18 2f73 s LYS 49 Cb -0.10 -0.08 0.01 0.00 -1.05 0.00 0.00 37.83 36.61 2f73 s LYS 49 CO 0.03 -0.57 -0.06 -0.59 1.55 0.00 0.00 175.35 175.71 2f73 s PHE 50 N 2.64 0.79 -0.25 4.03 -0.00 -0.48 -1.05 117.98 123.66 2f73 s PHE 50 Ca 0.12 -0.21 -0.08 0.00 -0.00 0.00 0.00 56.93 56.76 2f73 s PHE 50 Cb -0.15 -0.63 -0.03 0.00 -0.00 0.00 0.00 43.02 42.21 2f73 s PHE 50 CO -0.17 -0.14 0.10 0.99 -0.00 0.00 0.00 175.22 176.00 2f73 s THR 51 N 0.54 4.56 -0.25 -4.49 2.01 -0.21 -2.08 115.64 115.73 2f73 s THR 51 Ca -0.08 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 61.86 2f73 s THR 51 Cb -0.11 -3.14 0.05 0.00 0.01 0.00 0.00 72.50 69.31 2f73 s THR 51 CO 0.00 0.32 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.52 2f73 s ILE 52 N 1.59 2.22 -0.70 1.82 1.01 -0.33 -0.99 121.20 125.82 2f73 s ILE 52 Ca 0.06 -1.53 -0.27 0.00 0.00 0.00 0.00 60.65 58.91 2f73 s ILE 52 Cb -0.15 -2.26 0.02 0.00 0.01 0.00 0.00 42.46 40.08 2f73 s ILE 52 CO 0.05 0.03 1.35 0.42 0.00 0.00 0.00 174.94 176.79 2f73 s THR 53 N 1.14 3.71 -0.24 2.92 -4.23 -1.23 -4.22 115.64 113.49 2f73 s THR 53 Ca -0.07 0.46 -0.09 0.00 -1.18 0.00 0.00 61.69 60.80 2f73 s THR 53 Cb -0.19 -4.75 -0.04 0.00 1.34 0.00 0.00 72.50 68.85 2f73 s THR 53 CO -0.06 -1.65 0.13 0.00 -0.54 0.00 0.00 174.62 172.51 2f73 s ALA 54 N 6.06 3.48 0.00 3.99 0.00 0.15 -4.75 121.76 130.69 2f73 s ALA 54 Ca 0.41 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.43 2f73 s ALA 54 Cb -0.09 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.80 2f73 s ALA 54 CO 0.17 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.11 2f73 n GLY 55 N 4.39 2.69 1.68 0.00 0.00 -1.26 0.95 105.19 113.65 2f73 n GLY 55 Ca -0.15 0.33 0.09 0.00 0.00 0.00 0.00 46.02 46.28 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 7.56 5.12 -4.31 1.61 2.88 -1.25 -4.74 113.62 120.49 2f73 n SER 56 Ca 0.00 -2.65 -0.22 0.00 -1.33 0.00 0.00 58.87 54.67 2f73 n SER 56 Cb 0.00 -0.62 -0.12 0.00 -0.75 0.00 0.00 64.21 62.73 2f73 n SER 56 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2f73 s LYS 57 N -2.22 1.21 -0.03 -1.46 3.01 0.27 -5.02 119.74 115.50 2f73 s LYS 57 Ca 0.52 -1.32 -0.02 0.00 -1.01 0.00 0.00 55.97 54.15 2f73 s LYS 57 Cb 0.36 -1.32 -0.01 0.00 -1.01 0.00 0.00 37.83 35.86 2f73 s LYS 57 CO 0.21 0.28 -0.04 -0.39 0.51 0.00 0.00 175.35 175.92 2f73 h VAL 58 N 3.53 0.00 -4.81 3.17 -1.51 -1.81 0.43 116.25 115.25 2f73 h VAL 58 Ca -0.43 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 2f73 h VAL 58 Cb 1.20 0.00 -0.04 0.00 -2.13 0.00 0.00 31.29 30.32 2f73 h VAL 58 CO 0.47 0.00 -1.07 -0.38 -1.23 0.00 0.00 177.57 175.37 2f73 n ILE 59 N -2.83-12.00 -4.70 7.19 5.41 -1.26 -3.06 119.36 108.11 2f73 n ILE 59 Ca -0.01 2.76 -0.26 0.00 1.00 0.00 0.00 62.75 66.23 2f73 n ILE 59 Cb 0.05 -5.80 -0.17 0.00 -0.71 0.00 0.00 39.64 33.02 2f73 n ILE 59 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2f73 s GLN 60 N -0.56 2.00 0.21 0.38 0.74 -1.26 -1.19 119.66 119.98 2f73 s GLN 60 Ca -0.08 -0.51 0.00 0.00 0.05 0.00 0.00 55.36 54.81 2f73 s GLN 60 Cb 0.01 -1.61 -0.04 0.00 1.10 0.00 0.00 33.01 32.46 2f73 s GLN 60 CO 0.23 0.05 0.10 -0.80 -0.55 0.00 0.00 175.29 174.31 2f73 s ASN 61 N 0.63 0.64 0.22 6.67 0.01 -0.88 -4.86 114.94 117.36 2f73 s ASN 61 Ca -0.15 -1.34 0.02 0.00 -0.71 0.00 0.00 52.86 50.67 2f73 s ASN 61 Cb -0.16 0.27 -0.05 0.00 0.41 0.00 0.00 41.25 41.72 2f73 s ASN 61 CO 0.04 -0.76 0.05 -1.61 -1.51 0.00 0.00 177.10 173.31 2f73 s GLU 62 N -4.08 1.28 0.00 -0.60 2.02 -1.26 -1.39 118.70 114.68 2f73 s GLU 62 Ca 0.35 -1.66 0.00 0.00 0.02 0.00 0.00 54.97 53.68 2f73 s GLU 62 Cb 0.07 -0.31 0.00 0.00 0.10 0.00 0.00 34.13 33.99 2f73 s GLU 62 CO 0.10 -0.20 0.00 1.97 0.02 0.00 0.00 175.26 177.15 2f73 n PHE 63 N -0.37 0.00 -4.75 1.61 1.16 -0.15 -4.77 117.46 110.19 2f73 n PHE 63 Ca -0.03 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.27 2f73 n PHE 63 Cb 0.65 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.37 2f73 n PHE 63 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 2f73 s THR 64 N -2.00 1.91 0.27 1.97 2.01 -1.26 -0.30 115.64 118.24 2f73 s THR 64 Ca 0.00 -1.31 -0.29 0.00 0.31 0.00 0.00 61.69 60.39 2f73 s THR 64 Cb 0.00 -1.65 -0.09 0.00 0.01 0.00 0.00 72.50 70.77 2f73 s THR 64 CO 0.00 0.27 1.17 -0.69 -0.69 0.00 0.00 174.62 174.68 2f73 s VAL 65 N -0.82 3.32 0.00 3.82 1.01 -0.87 -2.36 120.40 124.51 2f73 s VAL 65 Ca 0.10 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.35 2f73 s VAL 65 Cb -0.09 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2f73 s VAL 65 CO 0.02 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.02 2f73 n GLY 66 N 1.31 2.29 3.24 4.51 0.00 -0.72 -5.00 105.19 110.83 2f73 n GLY 66 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2f73 n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2f73 s GLU 67 N -0.01 3.14 0.10 1.61 2.02 -0.99 -5.00 118.70 119.57 2f73 s GLU 67 Ca 0.00 -0.80 -0.36 0.00 0.02 0.00 0.00 54.97 53.83 2f73 s GLU 67 Cb 0.00 -2.50 -0.17 0.00 0.10 0.00 0.00 34.13 31.56 2f73 s GLU 67 CO 0.00 0.06 1.16 -1.91 0.02 0.00 0.00 175.26 174.58 2f73 n GLU 68 N 3.91 0.80 -3.95 1.61 4.07 -1.26 -4.46 120.64 121.36 2f73 n GLU 68 Ca -0.19 0.29 -0.09 0.00 -0.06 0.00 0.00 57.16 57.10 2f73 n GLU 68 Cb 0.52 -1.80 -0.07 0.00 -0.06 0.00 0.00 31.44 30.03 2f73 n GLU 68 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2f73 s GLU 70 N -3.96 3.83 -0.06 0.00 2.12 -1.26 -1.77 118.70 117.60 2f73 s GLU 70 Ca 0.16 -0.40 0.05 0.00 0.36 0.00 0.00 54.97 55.14 2f73 s GLU 70 Cb 0.03 -3.36 -0.02 0.00 0.26 0.00 0.00 34.13 31.04 2f73 s GLU 70 CO -0.01 -0.04 -0.21 -0.51 -0.54 0.00 0.00 175.26 173.96 2f73 s LEU 71 N 1.24 2.34 -0.29 2.70 1.43 0.77 -4.76 118.68 122.10 2f73 s LEU 71 Ca 0.05 -0.39 -0.22 0.00 -1.03 0.00 0.00 54.13 52.54 2f73 s LEU 71 Cb -0.14 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.62 2f73 s LEU 71 CO 0.04 0.28 0.70 -0.70 0.23 0.00 0.00 176.35 176.90 2f73 s GLU 72 N -0.33 3.99 1.26 1.70 2.12 -1.26 -0.38 118.70 125.80 2f73 s GLU 72 Ca 0.02 0.51 -0.21 0.00 0.36 0.00 0.00 54.97 55.65 2f73 s GLU 72 Cb -0.12 -3.70 0.31 0.00 0.26 0.00 0.00 34.13 30.87 2f73 s GLU 72 CO 0.02 -0.57 1.09 0.95 -0.54 0.00 0.00 175.26 176.21 2f73 s THR 73 N 2.73 1.49 -0.58 -1.70 -4.23 0.38 -4.91 115.64 108.81 2f73 s THR 73 Ca 0.29 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.78 2f73 s THR 73 Cb -0.15 -2.44 0.38 0.00 1.34 0.00 0.00 72.50 71.63 2f73 s THR 73 CO 0.11 0.00 2.04 0.80 -0.54 0.00 0.00 174.62 177.03 2f73 n MET 74 N -4.95 2.46 -0.19 3.99 1.56 -1.26 -3.15 117.12 115.58 2f73 n MET 74 Ca 0.15 -2.84 0.00 0.00 -0.27 0.00 0.00 57.70 54.74 2f73 n MET 74 Cb 0.60 -2.11 0.00 0.00 2.15 0.00 0.00 33.22 33.86 2f73 n MET 74 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 2f73 n THR 75 N -0.56 0.00 0.00 1.12 -2.24 -1.26 -4.95 114.28 106.39 2f73 n THR 75 Ca 0.54 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.32 2f73 n THR 75 Cb 0.63 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 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 0.00 2.24 3.70 3.38 0.00 -1.19 -4.95 105.19 108.37 2f73 n GLY 76 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 4.17 -0.05 1.61 2.12 -1.26 -4.53 118.70 120.75 2f73 s GLU 77 Ca 0.00 2.47 -0.22 0.00 0.36 0.00 0.00 54.97 57.58 2f73 s GLU 77 Cb 0.00 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 2f73 s GLU 77 CO 0.00 -0.76 0.63 0.15 -0.54 0.00 0.00 175.26 174.74 2f73 s LYS 78 N 2.31 4.39 0.03 4.30 1.02 -1.26 -0.47 119.74 130.06 2f73 s LYS 78 Ca 0.76 0.77 0.03 0.00 0.02 0.00 0.00 55.97 57.55 2f73 s LYS 78 Cb -0.44 -3.41 -0.02 0.00 -0.52 0.00 0.00 37.83 33.45 2f73 s LYS 78 CO 0.34 0.19 -0.08 0.54 -0.92 0.00 0.00 175.35 175.41 2f73 s VAL 79 N 0.42 0.61 -0.06 3.17 0.11 0.49 -4.95 120.40 120.18 2f73 s VAL 79 Ca 0.34 -0.81 -0.04 0.00 -2.93 0.00 0.00 61.98 58.53 2f73 s VAL 79 Cb -0.18 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.03 2f73 s VAL 79 CO 0.17 -0.16 0.15 -0.54 -3.33 0.00 0.00 175.10 171.39 2f73 s LYS 80 N -1.07 3.40 0.26 1.54 1.02 -1.26 -0.17 119.74 123.47 2f73 s LYS 80 Ca -0.04 -0.25 -0.18 0.00 0.02 0.00 0.00 55.97 55.52 2f73 s LYS 80 Cb -0.07 -3.12 0.07 0.00 -0.52 0.00 0.00 37.83 34.19 2f73 s LYS 80 CO 0.00 0.72 0.90 -2.37 -0.92 0.00 0.00 175.35 173.68 2f73 n THR 81 N 1.45 0.00 -4.17 2.17 5.66 -0.73 -4.94 114.28 113.72 2f73 n THR 81 Ca -0.15 -0.71 -0.30 0.00 -3.05 0.00 0.00 64.05 59.84 2f73 n THR 81 Cb 0.54 0.83 -0.16 0.00 -1.55 0.00 0.00 70.33 69.98 2f73 n THR 81 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2f73 s VAL 82 N -2.10 1.68 -0.15 1.08 1.01 -1.26 -1.08 120.40 119.57 2f73 s VAL 82 Ca 0.19 -0.71 -0.21 0.00 0.00 0.00 0.00 61.98 61.24 2f73 s VAL 82 Cb -0.04 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 2f73 s VAL 82 CO 0.08 0.48 0.64 -0.69 0.00 0.00 0.00 175.10 175.60 2f73 s VAL 83 N 1.31 5.04 0.38 2.92 1.01 -1.26 -4.51 120.40 125.29 2f73 s VAL 83 Ca 0.02 1.24 0.08 0.00 0.00 0.00 0.00 61.98 63.32 2f73 s VAL 83 Cb -0.13 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2f73 s VAL 83 CO -0.09 0.17 0.24 -1.10 0.00 0.00 0.00 175.10 174.32 2f73 s GLN 84 N 1.48 2.43 -0.11 2.72 -1.52 -0.62 -1.75 119.66 122.29 2f73 s GLN 84 Ca 0.31 -1.58 0.03 0.00 -1.95 0.00 0.00 55.36 52.16 2f73 s GLN 84 Cb -0.16 -2.22 -0.01 0.00 -0.22 0.00 0.00 33.01 30.40 2f73 s GLN 84 CO 0.12 -0.03 -0.19 -1.17 -0.25 0.00 0.00 175.29 173.77 2f73 s LEU 85 N -3.96 2.36 -0.15 2.90 2.96 -1.26 -1.27 118.68 120.26 2f73 s LEU 85 Ca 0.42 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.90 2f73 s LEU 85 Cb -0.02 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 45.20 2f73 s LEU 85 CO 0.25 0.18 -0.21 -0.70 -1.32 0.00 0.00 176.35 174.54 2f73 s GLU 86 N 0.25 3.03 7.24 1.98 2.12 -0.22 -4.99 118.70 128.10 2f73 s GLU 86 Ca -0.13 -0.84 0.00 0.00 0.36 0.00 0.00 54.97 54.36 2f73 s GLU 86 Cb -0.16 -2.48 0.00 0.00 0.26 0.00 0.00 34.13 31.74 2f73 s GLU 86 CO 0.07 -0.06 0.00 0.41 -0.54 0.00 0.00 175.26 175.14 2f73 n GLY 87 N 4.21 2.20 0.00 -1.50 0.00 -1.26 -2.12 105.19 106.72 2f73 n GLY 87 Ca -0.20 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 7.10 0.43 -0.21 1.61 5.75 -1.26 -4.81 116.55 125.15 2f73 n ASP 88 Ca 0.00 -1.17 0.00 0.00 -0.01 0.00 0.00 54.79 53.61 2f73 n ASP 88 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2f73 n ASP 88 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2f73 n ASN 89 N -0.08 0.00 -4.18 -1.12 0.23 -1.22 -1.07 115.26 107.81 2f73 n ASN 89 Ca 0.00 -1.25 -0.29 0.00 -0.53 0.00 0.00 54.58 52.51 2f73 n ASN 89 Cb 0.34 -0.05 -0.17 0.00 -2.08 0.00 0.00 39.78 37.83 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 2.41 -0.27 -3.83 1.02 -0.90 -2.20 119.74 115.97 2f73 s LYS 90 Ca 0.00 -0.75 -0.01 0.00 0.02 0.00 0.00 55.97 55.23 2f73 s LYS 90 Cb 0.00 -1.95 0.04 0.00 -0.52 0.00 0.00 37.83 35.40 2f73 s LYS 90 CO 0.00 0.22 -0.04 -0.51 -0.92 0.00 0.00 175.35 174.10 2f73 s LEU 91 N 0.19 3.48 -0.21 3.17 1.43 -0.60 -1.06 118.68 125.09 2f73 s LEU 91 Ca -0.11 -1.08 -0.02 0.00 -1.03 0.00 0.00 54.13 51.90 2f73 s LEU 91 Cb -0.15 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.40 2f73 s LEU 91 CO 0.05 -0.18 -0.10 -0.69 0.23 0.00 0.00 176.35 175.66 2f73 s VAL 92 N 1.28 2.88 0.04 -1.59 1.01 -0.39 -2.39 120.40 121.22 2f73 s VAL 92 Ca -0.03 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.31 2f73 s VAL 92 Cb -0.18 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 2f73 s VAL 92 CO -0.03 0.46 -0.08 0.28 0.00 0.00 0.00 175.10 175.73 2f73 s THR 93 N 1.41 0.55 -0.01 3.92 -1.32 -1.21 -1.59 115.64 117.38 2f73 s THR 93 Ca 0.05 -0.95 0.05 0.00 -1.21 0.00 0.00 61.69 59.63 2f73 s THR 93 Cb -0.14 -0.59 -0.01 0.00 -1.51 0.00 0.00 72.50 70.25 2f73 s THR 93 CO -0.07 -0.29 -0.16 -0.89 -2.21 0.00 0.00 174.62 171.01 2f73 s THR 94 N -1.16 1.23 -0.27 5.08 2.01 -1.26 -2.52 115.64 118.74 2f73 s THR 94 Ca -0.08 -0.66 -0.23 0.00 0.31 0.00 0.00 61.69 61.03 2f73 s THR 94 Cb -0.09 -1.02 0.07 0.00 0.01 0.00 0.00 72.50 71.47 2f73 s THR 94 CO 0.00 0.35 0.72 0.72 -0.69 0.00 0.00 174.62 175.72 2f73 s PHE 95 N -0.36 -0.84 -1.29 4.92 -0.12 -1.06 -4.77 117.98 114.47 2f73 s PHE 95 Ca 0.06 1.97 -0.13 0.00 -0.05 0.00 0.00 56.93 58.77 2f73 s PHE 95 Cb -0.06 0.34 0.00 0.00 -0.63 0.00 0.00 43.02 42.67 2f73 s PHE 95 CO -0.01 -0.41 0.57 1.63 -0.05 0.00 0.00 175.22 176.96 2f73 n LYS 96 N 2.99 -1.87 -2.55 1.99 5.02 -1.26 0.09 118.16 122.58 2f73 n LYS 96 Ca -0.15 0.35 -0.16 0.00 -2.02 0.00 0.00 58.31 56.32 2f73 n LYS 96 Cb 0.56 -3.99 -0.00 0.00 -0.02 0.00 0.00 35.03 31.58 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 -2.73 -4.59 -4.11 4.39 4.13 -1.26 -4.95 115.26 106.14 2f73 n ASN 97 Ca -0.20 0.06 -0.33 0.00 1.68 0.00 0.00 54.58 55.79 2f73 n ASN 97 Cb 0.63 -3.85 -0.15 0.00 -1.54 0.00 0.00 39.78 34.88 2f73 n ASN 97 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 2f73 s ILE 98 N -2.80 2.39 -0.49 2.41 1.10 0.11 -4.63 121.20 119.30 2f73 s ILE 98 Ca 0.05 -1.42 -0.16 0.00 -0.51 0.00 0.00 60.65 58.62 2f73 s ILE 98 Cb -0.03 -2.32 0.08 0.00 0.15 0.00 0.00 42.46 40.34 2f73 s ILE 98 CO 0.07 0.07 0.45 -0.75 -2.11 0.00 0.00 174.94 172.66 2f73 s LYS 99 N 1.18 3.00 -0.06 3.50 2.20 -0.97 -2.56 119.74 126.05 2f73 s LYS 99 Ca -0.05 -1.34 -0.13 0.00 -0.36 0.00 0.00 55.97 54.09 2f73 s LYS 99 Cb -0.19 -4.16 -0.05 0.00 -1.51 0.00 0.00 37.83 31.93 2f73 s LYS 99 CO -0.05 -1.11 0.33 0.45 -0.36 0.00 0.00 175.35 174.60 2f73 s SER 100 N 2.78 6.65 -0.29 1.43 0.15 -1.05 -1.59 113.70 121.78 2f73 s SER 100 Ca 0.06 0.77 -0.03 0.00 0.70 0.00 0.00 55.95 57.45 2f73 s SER 100 Cb -0.24 -2.20 0.10 0.00 -1.71 0.00 0.00 66.02 61.97 2f73 s SER 100 CO 0.07 0.31 0.11 -0.69 1.20 0.00 0.00 173.24 174.24 2f73 s VAL 101 N -0.80 0.33 -0.37 4.45 1.01 0.07 -3.36 120.40 121.72 2f73 s VAL 101 Ca 0.21 -0.99 -0.19 0.00 0.00 0.00 0.00 61.98 61.01 2f73 s VAL 101 Cb -0.15 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 34.99 2f73 s VAL 101 CO 0.10 -0.67 0.57 -0.89 0.00 0.00 0.00 175.10 174.20 2f73 s THR 102 N 1.90 4.94 0.48 3.92 2.01 -1.01 -0.51 115.64 127.38 2f73 s THR 102 Ca 0.09 0.34 0.06 0.00 0.31 0.00 0.00 61.69 62.49 2f73 s THR 102 Cb -0.17 -4.05 -0.00 0.00 0.01 0.00 0.00 72.50 68.29 2f73 s THR 102 CO -0.30 -0.33 0.31 -0.70 -0.69 0.00 0.00 174.62 172.90 2f73 s GLU 103 N 2.56 2.29 -0.27 4.92 2.12 0.30 -1.55 118.70 129.07 2f73 s GLU 103 Ca 0.21 -1.91 -0.13 0.00 0.36 0.00 0.00 54.97 53.50 2f73 s GLU 103 Cb -0.15 -2.07 0.09 0.00 0.26 0.00 0.00 34.13 32.26 2f73 s GLU 103 CO 0.15 -0.38 0.63 -1.17 -0.54 0.00 0.00 175.26 173.95 2f73 s LEU 104 N -4.12 -0.89 -0.12 2.70 0.20 -0.93 -1.52 118.68 114.00 2f73 s LEU 104 Ca 0.36 1.43 -0.02 0.00 0.69 0.00 0.00 54.13 56.60 2f73 s LEU 104 Cb -0.00 2.18 0.04 0.00 -0.43 0.00 0.00 46.19 47.98 2f73 s LEU 104 CO 0.21 -0.23 0.01 0.20 -0.29 0.00 0.00 176.35 176.25 2f73 s ASN 105 N 2.03 2.16 1.47 3.68 0.01 -0.40 -4.80 114.94 119.08 2f73 s ASN 105 Ca -0.08 -0.39 0.00 0.00 -0.71 0.00 0.00 52.86 51.67 2f73 s ASN 105 Cb -0.08 -0.55 0.00 0.00 0.41 0.00 0.00 41.25 41.04 2f73 s ASN 105 CO -0.18 -0.23 0.00 0.61 -1.51 0.00 0.00 177.10 175.79 2f73 n GLY 106 N 5.09 1.35 0.44 0.66 0.00 -1.26 -1.60 105.19 109.86 2f73 n GLY 106 Ca -0.08 0.21 0.05 0.00 0.00 0.00 0.00 46.02 46.19 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 10.65 2.06 -4.23 1.61 8.00 -1.26 -4.97 116.55 128.41 2f73 n ASP 107 Ca 0.00 -1.55 -0.34 0.00 0.71 0.00 0.00 54.79 53.61 2f73 n ASP 107 Cb 0.00 -0.05 -0.14 0.00 -0.02 0.00 0.00 41.12 40.91 2f73 n ASP 107 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2f73 s ILE 108 N -0.87 2.95 0.04 0.53 2.07 -0.63 -2.06 121.20 123.23 2f73 s ILE 108 Ca 0.14 -0.78 -0.18 0.00 -1.41 0.00 0.00 60.65 58.41 2f73 s ILE 108 Cb 0.09 -2.39 -0.06 0.00 0.13 0.00 0.00 42.46 40.22 2f73 s ILE 108 CO 0.13 0.35 0.52 -0.63 -1.91 0.00 0.00 174.94 173.40 2f73 s ILE 109 N 1.39 4.85 0.00 2.00 1.01 -0.88 -1.28 121.20 128.29 2f73 s ILE 109 Ca 0.03 1.11 0.05 0.00 0.00 0.00 0.00 60.65 61.84 2f73 s ILE 109 Cb -0.15 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.46 2f73 s ILE 109 CO -0.05 0.54 -0.15 -0.89 0.00 0.00 0.00 174.94 174.38 2f73 s THR 110 N -0.94 1.18 -0.31 2.92 2.01 -0.57 -1.43 115.64 118.50 2f73 s THR 110 Ca 0.28 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.52 2f73 s THR 110 Cb -0.18 -1.01 0.10 0.00 0.01 0.00 0.00 72.50 71.42 2f73 s THR 110 CO 0.17 0.24 0.08 0.21 -0.69 0.00 0.00 174.62 174.63 2f73 s ASN 111 N -0.59 4.18 -0.52 3.53 3.84 -0.07 0.11 114.94 125.42 2f73 s ASN 111 Ca 0.05 -1.73 -0.16 0.00 0.21 0.00 0.00 52.86 51.22 2f73 s ASN 111 Cb -0.06 -1.04 0.11 0.00 -0.55 0.00 0.00 41.25 39.70 2f73 s ASN 111 CO 0.00 -0.40 0.49 -0.89 -2.79 0.00 0.00 177.10 173.51 2f73 s THR 112 N 1.46 5.17 -0.32 -5.21 2.01 0.34 -1.38 115.64 117.70 2f73 s THR 112 Ca 0.10 -1.28 -0.09 0.00 0.31 0.00 0.00 61.69 60.73 2f73 s THR 112 Cb -0.18 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 68.05 2f73 s THR 112 CO -0.21 -0.80 0.14 -0.04 -0.69 0.00 0.00 174.62 173.02 2f73 s MET 113 N 1.75 3.16 0.10 4.92 -1.94 -0.36 -0.75 119.30 126.19 2f73 s MET 113 Ca 0.05 -0.83 0.05 0.00 -1.71 0.00 0.00 55.69 53.24 2f73 s MET 113 Cb -0.27 -3.54 -0.04 0.00 2.01 0.00 0.00 34.83 32.99 2f73 s MET 113 CO 0.05 -0.48 0.01 0.95 -0.01 0.00 0.00 175.02 175.54 2f73 s THR 114 N 1.57 4.05 -0.29 2.05 -4.23 -0.62 0.12 115.64 118.29 2f73 s THR 114 Ca 0.03 -1.01 0.02 0.00 -1.18 0.00 0.00 61.69 59.55 2f73 s THR 114 Cb -0.18 -2.95 0.16 0.00 1.34 0.00 0.00 72.50 70.88 2f73 s THR 114 CO 0.05 0.09 0.40 -0.22 -0.54 0.00 0.00 174.62 174.40 2f73 s LEU 115 N -2.41 -0.71 0.00 4.79 2.96 0.23 -2.28 118.68 121.26 2f73 s LEU 115 Ca 0.26 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 2f73 s LEU 115 Cb -0.11 1.03 0.00 0.00 0.50 0.00 0.00 46.19 47.60 2f73 s LEU 115 CO 0.19 -0.35 0.00 0.61 -1.32 0.00 0.00 176.35 175.47 2f73 n GLY 116 N 5.31 2.56 0.89 7.98 0.00 -1.26 -1.17 105.19 119.50 2f73 n GLY 116 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 3.37 1.94 -4.06 1.61 9.92 -1.26 -4.73 116.55 123.33 2f73 n ASP 117 Ca 0.00 -1.51 -0.33 0.00 -0.53 0.00 0.00 54.79 52.43 2f73 n ASP 117 Cb 0.00 -0.38 -0.14 0.00 -0.64 0.00 0.00 41.12 39.96 2f73 n ASP 117 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2f73 s ILE 118 N -0.02 2.61 -0.74 0.53 -1.09 -0.32 -5.03 121.20 117.14 2f73 s ILE 118 Ca 0.00 -2.17 -0.17 0.00 -2.23 0.00 0.00 60.65 56.08 2f73 s ILE 118 Cb 0.00 -2.83 0.15 0.00 -1.58 0.00 0.00 42.46 38.20 2f73 s ILE 118 CO 0.00 -0.57 0.79 -0.69 -1.23 0.00 0.00 174.94 173.24 2f73 s VAL 119 N 1.00 5.12 -0.69 2.92 1.01 -1.26 0.75 120.40 129.24 2f73 s VAL 119 Ca 0.08 -1.68 -0.21 0.00 0.00 0.00 0.00 61.98 60.17 2f73 s VAL 119 Cb -0.20 -4.53 0.09 0.00 0.00 0.00 0.00 36.38 31.74 2f73 s VAL 119 CO -0.06 -1.15 0.94 0.12 0.00 0.00 0.00 175.10 174.95 2f73 s PHE 120 N 1.70 2.81 -0.18 5.22 5.99 0.12 -4.68 117.98 128.97 2f73 s PHE 120 Ca 0.17 -0.77 -0.05 0.00 0.00 0.00 0.00 56.93 56.28 2f73 s PHE 120 Cb -0.16 -4.24 -0.03 0.00 0.00 0.00 0.00 43.02 38.59 2f73 s PHE 120 CO -0.03 -1.56 0.01 0.21 -0.00 0.00 0.00 175.22 173.86 2f73 s LYS 121 N 3.57 3.75 -0.02 10.12 2.20 -0.95 -1.22 119.74 137.19 2f73 s LYS 121 Ca 0.22 -0.46 0.02 0.00 -0.36 0.00 0.00 55.97 55.39 2f73 s LYS 121 Cb -0.16 -3.07 -0.03 0.00 -1.51 0.00 0.00 37.83 33.06 2f73 s LYS 121 CO 0.06 0.18 -0.07 1.03 -0.36 0.00 0.00 175.35 176.19 2f73 s ARG 122 N 0.58 2.61 -0.06 4.03 0.52 -0.48 -2.33 118.95 123.81 2f73 s ARG 122 Ca -0.00 -0.67 0.02 0.00 -0.52 0.00 0.00 55.73 54.56 2f73 s ARG 122 Cb -0.14 -2.52 0.01 0.00 0.52 0.00 0.00 34.95 32.82 2f73 s ARG 122 CO 0.02 0.62 -0.12 0.42 0.02 0.00 0.00 175.30 176.26 2f73 s ILE 123 N -0.93 1.13 0.11 1.52 1.01 0.41 -0.89 121.20 123.56 2f73 s ILE 123 Ca 0.15 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.32 2f73 s ILE 123 Cb -0.11 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 2f73 s ILE 123 CO 0.05 0.35 -0.01 -0.44 0.00 0.00 0.00 174.94 174.90 2f73 s SER 124 N 0.64 0.75 0.01 3.58 0.01 -0.51 0.55 113.70 118.73 2f73 s SER 124 Ca -0.14 -1.09 0.06 0.00 1.31 0.00 0.00 55.95 56.09 2f73 s SER 124 Cb -0.16 0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.24 2f73 s SER 124 CO 0.04 -0.59 -0.18 -0.75 0.41 0.00 0.00 173.24 172.16 2f73 s LYS 125 N -3.93 1.37 0.74 12.44 2.20 0.14 -2.07 119.74 130.63 2f73 s LYS 125 Ca 0.16 -0.74 -0.13 0.00 -0.36 0.00 0.00 55.97 54.90 2f73 s LYS 125 Cb 0.07 -1.38 0.04 0.00 -1.51 0.00 0.00 37.83 35.05 2f73 s LYS 125 CO -0.03 0.37 1.12 0.50 -0.36 0.00 0.00 175.35 176.95 2f73 s ARG 126 N -0.72 2.34 0.00 4.03 3.52 -0.87 0.23 118.95 127.48 2f73 s ARG 126 Ca 0.06 1.37 0.00 0.00 -0.13 0.00 0.00 55.73 57.03 2f73 s ARG 126 Cb -0.08 -1.89 0.00 0.00 -1.56 0.00 0.00 34.95 31.42 2f73 s ARG 126 CO 0.00 -1.61 0.00 0.44 -0.81 0.00 0.00 175.30 173.32