#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f73 s THR -7 N 0.00 2.04 0.03 2.61 -1.32 -1.26 -5.17 115.64 112.58 2f73 s THR -7 Ca 0.00 -2.19 -0.02 0.00 -1.21 0.00 0.00 61.69 58.27 2f73 s THR -7 Cb 0.00 -2.57 -0.02 0.00 -1.51 0.00 0.00 72.50 68.40 2f73 s THR -7 CO 0.00 -0.24 0.01 -1.61 -2.21 0.00 0.00 174.62 170.57 2f73 s GLU -6 N -3.65 0.49 -0.05 7.08 0.41 -1.26 -5.17 118.70 116.56 2f73 s GLU -6 Ca 0.31 -0.85 0.06 0.00 -0.41 0.00 0.00 54.97 54.08 2f73 s GLU -6 Cb 0.03 0.18 -0.01 0.00 -1.78 0.00 0.00 34.13 32.55 2f73 s GLU -6 CO 0.15 -0.10 -0.23 -0.80 -0.49 0.00 0.00 175.26 173.79 2f73 s ASN -5 N -2.13 2.84 -0.26 -0.19 0.01 -1.26 -5.11 114.94 108.84 2f73 s ASN -5 Ca -0.05 -0.47 -0.06 0.00 -0.71 0.00 0.00 52.86 51.57 2f73 s ASN -5 Cb -0.01 -0.78 -0.01 0.00 0.41 0.00 0.00 41.25 40.86 2f73 s ASN -5 CO -0.05 0.22 0.04 -0.76 -1.51 0.00 0.00 177.10 175.04 2f73 s LEU -4 N -0.11 3.45 -0.15 0.60 1.02 -1.26 -5.09 118.68 117.14 2f73 s LEU -4 Ca -0.04 -0.47 -0.06 0.00 0.02 0.00 0.00 54.13 53.58 2f73 s LEU -4 Cb -0.13 -1.85 -0.04 0.00 0.02 0.00 0.00 46.19 44.19 2f73 s LEU -4 CO 0.03 -0.09 0.05 -0.31 0.02 0.00 0.00 176.35 176.05 2f73 s TYR -3 N 1.53 3.26 0.10 0.29 1.51 -1.26 -5.10 117.35 117.69 2f73 s TYR -3 Ca 0.05 0.13 0.04 0.00 -1.01 0.00 0.00 57.07 56.28 2f73 s TYR -3 Cb -0.16 -1.99 -0.04 0.00 -0.11 0.00 0.00 41.96 39.66 2f73 s TYR -3 CO 0.01 0.28 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.57 2f73 s PHE -2 N -0.07 1.13 0.03 2.71 0.40 -1.26 -5.15 117.98 115.77 2f73 s PHE -2 Ca 0.06 -0.65 0.03 0.00 -0.60 0.00 0.00 56.93 55.77 2f73 s PHE -2 Cb -0.12 -0.61 -0.02 0.00 0.51 0.00 0.00 43.02 42.78 2f73 s PHE -2 CO 0.01 0.03 -0.10 -1.14 0.70 0.00 0.00 175.22 174.71 2f73 s GLN -1 N -2.86 0.71 0.05 0.44 0.74 -1.26 -5.14 119.66 112.34 2f73 s GLN -1 Ca 0.07 -0.66 -0.01 0.00 0.05 0.00 0.00 55.36 54.81 2f73 s GLN -1 Cb -0.03 -0.64 -0.04 0.00 1.10 0.00 0.00 33.01 33.41 2f73 s GLN -1 CO 0.00 0.15 -0.03 -1.54 -0.55 0.00 0.00 175.29 173.33 2f73 s SER 0 N -1.11 0.50 0.67 6.67 1.04 -1.26 -4.64 113.70 115.57 2f73 s SER 0 Ca -0.02 -0.99 -0.15 0.00 0.48 0.00 0.00 55.95 55.27 2f73 s SER 0 Cb -0.07 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2f73 s SER 0 CO 0.01 -0.59 1.14 -0.04 0.98 0.00 0.00 173.24 174.74 2f73 s MET 1 N -3.87 2.67 0.33 4.02 1.00 -0.76 -4.96 119.30 117.73 2f73 s MET 1 Ca 0.07 1.52 -0.26 0.00 0.00 0.00 0.00 55.69 57.01 2f73 s MET 1 Cb 0.08 -1.92 -0.10 0.00 0.00 0.00 0.00 34.83 32.88 2f73 s MET 1 CO -0.10 -1.37 0.96 0.45 0.00 0.00 0.00 175.02 174.96 2f73 s SER 2 N -2.34 7.29 -0.01 3.03 0.15 -1.26 -4.95 113.70 115.61 2f73 s SER 2 Ca 0.70 1.86 0.18 0.00 0.70 0.00 0.00 55.95 59.39 2f73 s SER 2 Cb -0.23 -2.58 -0.24 0.00 -1.71 0.00 0.00 66.02 61.26 2f73 s SER 2 CO 0.41 -0.10 0.56 0.49 1.20 0.00 0.00 173.24 175.80 2f73 n PHE 3 N 0.53 0.00 -1.65 3.44 3.72 -1.26 -4.99 117.46 117.25 2f73 n PHE 3 Ca 0.02 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 56.94 2f73 n PHE 3 Cb 0.50 -0.22 -0.05 0.00 -0.94 0.00 0.00 39.48 38.77 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 -1.79 2.69 0.00 4.37 7.64 -1.25 -4.58 113.62 120.70 2f73 n SER 4 Ca -0.00 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.97 2f73 n SER 4 Cb 0.38 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 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 3.20 2.75 3.77 0.23 0.00 0.12 -4.95 105.19 110.32 2f73 n GLY 5 Ca 0.18 -1.11 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.07 3.40 -0.10 1.61 1.02 -1.26 -0.96 119.74 121.38 2f73 s LYS 6 Ca 0.00 -0.25 0.02 0.00 0.02 0.00 0.00 55.97 55.76 2f73 s LYS 6 Cb 0.00 -3.07 0.01 0.00 -0.52 0.00 0.00 37.83 34.25 2f73 s LYS 6 CO 0.00 0.66 -0.15 0.71 -0.92 0.00 0.00 175.35 175.65 2f73 s TYR 7 N -0.72 1.90 -0.03 3.18 1.51 0.63 -2.62 117.35 121.19 2f73 s TYR 7 Ca 0.12 -0.84 -0.23 0.00 -1.01 0.00 0.00 57.07 55.11 2f73 s TYR 7 Cb -0.12 -1.37 -0.04 0.00 -0.11 0.00 0.00 41.96 40.32 2f73 s TYR 7 CO 0.03 -0.42 0.69 -1.14 -1.11 0.00 0.00 175.55 173.59 2f73 s GLN 8 N 0.86 4.42 0.05 -0.62 2.00 0.10 -0.14 119.66 126.34 2f73 s GLN 8 Ca -0.10 0.88 -0.31 0.00 -2.00 0.00 0.00 55.36 53.84 2f73 s GLN 8 Cb -0.15 -3.41 -0.07 0.00 0.80 0.00 0.00 33.01 30.18 2f73 s GLN 8 CO 0.01 0.17 1.39 -1.17 -0.50 0.00 0.00 175.29 175.18 2f73 s LEU 9 N 0.45 4.34 0.00 3.68 2.96 0.67 -0.62 118.68 130.16 2f73 s LEU 9 Ca 0.36 2.20 0.00 0.00 -0.22 0.00 0.00 54.13 56.47 2f73 s LEU 9 Cb -0.18 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.94 2f73 s LEU 9 CO 0.19 -0.68 0.00 0.00 -1.32 0.00 0.00 176.35 174.54 2f73 n GLN 10 N 4.69 0.00 -3.54 1.98 1.13 -0.13 -4.67 117.38 116.84 2f73 n GLN 10 Ca 0.12 0.01 -0.23 0.00 -1.94 0.00 0.00 57.00 54.96 2f73 n GLN 10 Cb 0.43 -0.50 0.01 0.00 0.11 0.00 0.00 30.24 30.29 2f73 n GLN 10 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2f73 n SER 11 N -2.48 2.53 -3.65 1.08 2.88 -1.12 -4.97 113.62 107.89 2f73 n SER 11 Ca 0.00 -2.73 0.02 0.00 -1.33 0.00 0.00 58.87 54.84 2f73 n SER 11 Cb 0.00 -0.11 -0.06 0.00 -0.75 0.00 0.00 64.21 63.29 2f73 n SER 11 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2f73 s GLN 12 N -4.20 0.04 0.11 -1.46 0.74 -1.26 -2.98 119.66 110.64 2f73 s GLN 12 Ca 0.35 0.06 0.08 0.00 0.05 0.00 0.00 55.36 55.90 2f73 s GLN 12 Cb -0.03 0.01 -0.04 0.00 1.10 0.00 0.00 33.01 34.06 2f73 s GLN 12 CO 0.22 -0.01 -0.19 -1.21 -0.55 0.00 0.00 175.29 173.55 2f73 s GLU 13 N 0.95 1.09 -1.36 1.67 2.02 -0.03 -4.76 118.70 118.28 2f73 s GLU 13 Ca -0.07 -1.17 -0.12 0.00 0.02 0.00 0.00 54.97 53.63 2f73 s GLU 13 Cb -0.02 -1.26 0.10 0.00 0.10 0.00 0.00 34.13 33.04 2f73 s GLU 13 CO -0.10 0.28 0.56 0.09 0.02 0.00 0.00 175.26 176.11 2f73 n ASN 14 N 0.96 -3.48 0.33 -0.19 4.13 -1.26 -2.97 115.26 112.78 2f73 n ASN 14 Ca -0.19 -0.54 -0.16 0.00 1.68 0.00 0.00 54.58 55.37 2f73 n ASN 14 Cb 0.54 -2.88 -0.08 0.00 -1.54 0.00 0.00 39.78 35.83 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 -1.08 -0.79 -0.04 3.10 3.57 -1.89 0.13 116.94 119.94 2f73 h PHE 15 Ca -0.46 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.01 2f73 h PHE 15 Cb 1.30 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 40.30 2f73 h PHE 15 CO 0.67 -0.45 -0.02 1.49 -2.23 0.00 0.00 178.31 177.77 2f73 h GLU 16 N -1.06 0.05 -0.07 1.11 4.81 -1.95 -2.48 114.58 114.99 2f73 h GLU 16 Ca -0.09 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 2f73 h GLU 16 Cb 0.70 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 2f73 h GLU 16 CO 0.14 0.07 -0.07 0.00 -0.73 0.00 0.00 179.01 178.42 2f73 h ALA 17 N 1.94 0.11 0.83 2.92 0.00 -1.89 -1.55 119.26 121.62 2f73 h ALA 17 Ca 0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2f73 h ALA 17 Cb 0.07 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2f73 h ALA 17 CO 0.00 -0.08 -0.40 0.35 0.00 0.00 0.00 179.25 179.12 2f73 h PHE 18 N -0.25 -1.04 0.00 0.00 3.57 -0.40 -2.36 116.94 116.47 2f73 h PHE 18 Ca 0.01 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2f73 h PHE 18 Cb 0.58 0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.66 2f73 h PHE 18 CO 0.09 -0.65 0.06 0.52 -2.23 0.00 0.00 178.31 176.11 2f73 h MET 19 N -1.21 0.00 -0.26 1.11 2.86 -1.59 -2.69 114.93 113.15 2f73 h MET 19 Ca -0.11 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.57 2f73 h MET 19 Cb 0.86 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.44 2f73 h MET 19 CO 0.19 0.00 -0.49 -0.22 1.06 0.00 0.00 176.91 177.45 2f73 h LYS 20 N 0.00 -0.44 -2.43 1.72 1.63 -0.71 -3.16 116.57 113.18 2f73 h LYS 20 Ca 0.00 0.03 -0.67 0.00 -0.85 0.00 0.00 60.65 59.16 2f73 h LYS 20 Cb 0.12 0.10 -0.37 0.00 -0.60 0.00 0.00 32.23 31.48 2f73 h LYS 20 CO 0.00 -0.29 -0.12 0.00 -3.45 0.00 0.00 179.45 175.58 2f73 n ALA 21 N -3.02 4.47 -0.24 5.00 0.00 -1.01 -4.51 120.51 121.20 2f73 n ALA 21 Ca -0.04 -4.79 0.00 0.00 0.00 0.00 0.00 53.44 48.62 2f73 n ALA 21 Cb 0.36 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 0.97 0.00 0.00 0.00 -5.35 -1.19 -5.01 119.36 108.77 2f73 n ILE 22 Ca 0.29 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.77 2f73 n ILE 22 Cb 0.38 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 39.06 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 0.00 1.05 3.66 3.28 0.00 -1.26 -4.93 105.19 106.99 2f73 n GLY 23 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 4.12 0.20 0.99 1.98 -1.25 -4.98 118.68 119.74 2f73 s LEU 24 Ca 0.00 1.44 -0.32 0.00 -2.89 0.00 0.00 54.13 52.36 2f73 s LEU 24 Cb 0.00 -3.54 -0.15 0.00 0.66 0.00 0.00 46.19 43.16 2f73 s LEU 24 CO 0.00 -0.68 1.13 -2.65 -1.89 0.00 0.00 176.35 172.26 2f73 n PRO 25 N 6.33 1.23 -0.10 0.98 -0.02 -1.26 -4.75 135.00 137.40 2f73 n PRO 25 Ca 0.12 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2f73 n PRO 25 Cb 0.46 -1.90 0.28 0.00 -0.02 0.00 0.00 33.50 32.32 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 3.07 0.76 -0.15 -0.52 3.07 -1.97 0.17 114.58 119.01 2f73 h GLU 26 Ca -0.42 -0.09 0.04 0.00 -0.50 0.00 0.00 59.36 58.39 2f73 h GLU 26 Cb 1.34 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 29.10 2f73 h GLU 26 CO 0.68 0.59 0.40 1.49 -1.40 0.00 0.00 179.01 180.77 2f73 h GLU 27 N 0.76 0.00 0.00 2.33 4.57 -2.02 -1.80 114.58 118.42 2f73 h GLU 27 Ca 0.19 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.24 2f73 h GLU 27 Cb 0.08 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 2f73 h GLU 27 CO -0.03 0.00 -1.49 1.28 -1.18 0.00 0.00 179.01 177.60 2f73 n LEU 28 N -3.16 1.08 -0.33 1.64 4.77 -0.35 -4.48 117.00 116.18 2f73 n LEU 28 Ca 0.01 -0.02 0.21 0.00 -0.03 0.00 0.00 56.01 56.18 2f73 n LEU 28 Cb 0.49 -0.00 0.47 0.00 -2.33 0.00 0.00 43.42 42.05 2f73 n LEU 28 CO 0.18 0.34 1.21 0.40 -1.33 0.00 0.00 177.39 178.19 2f73 h ILE 29 N 0.00 0.55 -0.22 -0.08 1.08 0.13 -1.64 117.51 117.33 2f73 h ILE 29 Ca -0.19 -0.16 -0.16 0.00 -0.39 0.00 0.00 64.86 63.96 2f73 h ILE 29 Cb 1.38 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 2f73 h ILE 29 CO -0.00 0.08 -0.52 1.56 -0.69 0.00 0.00 178.15 178.58 2f73 h GLN 30 N 0.46 0.64 -3.54 2.37 1.08 -1.70 -3.30 115.11 111.13 2f73 h GLN 30 Ca 0.60 -0.39 -0.78 0.00 -1.45 0.00 0.00 58.65 56.63 2f73 h GLN 30 Cb 1.38 0.04 -0.30 0.00 -0.05 0.00 0.00 27.48 28.56 2f73 h GLN 30 CO -0.33 1.00 0.28 0.15 -0.95 0.00 0.00 178.83 178.98 2f73 s LYS 31 N -4.08 3.90 0.00 1.46 3.01 -0.61 -3.90 119.74 119.53 2f73 s LYS 31 Ca -0.08 -3.14 0.00 0.00 -1.01 0.00 0.00 55.97 51.74 2f73 s LYS 31 Cb 0.11 -4.39 0.00 0.00 -1.01 0.00 0.00 37.83 32.54 2f73 s LYS 31 CO 0.85 -1.25 0.00 0.41 0.51 0.00 0.00 175.35 175.87 2f73 n GLY 32 N 2.77 0.00 0.08 -3.33 0.00 -1.25 -3.24 105.19 100.22 2f73 n GLY 32 Ca 0.22 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.32 2f73 n GLY 32 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2f73 n LYS 33 N 0.00 0.63 -0.08 1.61 2.85 -1.24 -3.66 118.16 118.26 2f73 n LYS 33 Ca 0.00 0.05 -0.08 0.00 -1.05 0.00 0.00 58.31 57.24 2f73 n LYS 33 Cb 0.00 -1.73 -0.16 0.00 -0.65 0.00 0.00 35.03 32.49 2f73 n LYS 33 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2f73 n ASP 34 N -2.61 0.07 -4.54 -5.58 10.43 -1.26 -4.93 116.55 108.13 2f73 n ASP 34 Ca -0.04 0.03 -0.17 0.00 2.57 0.00 0.00 54.79 57.18 2f73 n ASP 34 Cb 0.64 1.02 -0.12 0.00 1.84 0.00 0.00 41.12 44.50 2f73 n ASP 34 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 2f73 n ILE 35 N -2.72 -0.00 -2.61 0.53 -0.00 -1.26 -4.89 119.36 108.41 2f73 n ILE 35 Ca -0.29 -0.50 -0.42 0.00 -0.00 0.00 0.00 62.75 61.54 2f73 n ILE 35 Cb 1.09 -1.34 -0.02 0.00 -0.00 0.00 0.00 39.64 39.36 2f73 n ILE 35 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 2f73 s LYS 36 N 8.29 3.72 0.10 0.38 1.02 -1.26 -4.72 119.74 127.26 2f73 s LYS 36 Ca 1.07 -1.47 -0.01 0.00 0.02 0.00 0.00 55.97 55.57 2f73 s LYS 36 Cb -0.38 -5.36 0.02 0.00 -0.52 0.00 0.00 37.83 31.58 2f73 s LYS 36 CO 0.25 -2.17 0.13 0.41 -0.92 0.00 0.00 175.35 173.05 2f73 n GLY 37 N 6.26 -0.60 3.03 -3.33 0.00 -1.26 -4.47 105.19 104.83 2f73 n GLY 37 Ca 0.37 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.95 1.10 0.01 1.61 1.01 -1.26 -0.24 120.40 121.68 2f73 s VAL 38 Ca 0.08 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.63 2f73 s VAL 38 Cb -0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 2f73 s VAL 38 CO 0.05 0.34 -0.15 -0.44 0.00 0.00 0.00 175.10 174.90 2f73 s SER 39 N 0.51 3.98 -0.14 3.32 0.01 0.80 -4.31 113.70 117.87 2f73 s SER 39 Ca -0.11 -0.31 0.02 0.00 1.31 0.00 0.00 55.95 56.86 2f73 s SER 39 Cb -0.14 -0.75 0.01 0.00 0.21 0.00 0.00 66.02 65.35 2f73 s SER 39 CO 0.03 0.29 -0.20 -0.70 0.41 0.00 0.00 173.24 173.06 2f73 s GLU 40 N -1.21 2.87 -0.09 12.44 2.12 0.30 0.23 118.70 135.36 2f73 s GLU 40 Ca 0.14 -0.80 0.01 0.00 0.36 0.00 0.00 54.97 54.68 2f73 s GLU 40 Cb -0.11 -2.36 -0.02 0.00 0.26 0.00 0.00 34.13 31.90 2f73 s GLU 40 CO 0.04 -0.06 -0.11 0.42 -0.54 0.00 0.00 175.26 175.02 2f73 s ILE 41 N 0.93 3.34 -0.23 -3.70 1.01 -0.14 -1.46 121.20 120.96 2f73 s ILE 41 Ca -0.05 -0.59 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 2f73 s ILE 41 Cb -0.15 -2.37 0.07 0.00 0.01 0.00 0.00 42.46 40.02 2f73 s ILE 41 CO -0.04 0.56 0.04 -0.69 0.00 0.00 0.00 174.94 174.82 2f73 s VAL 42 N -0.32 0.71 -0.03 2.92 1.01 0.62 0.15 120.40 125.45 2f73 s VAL 42 Ca 0.04 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.21 2f73 s VAL 42 Cb -0.13 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 2f73 s VAL 42 CO 0.02 -0.31 -0.04 -1.58 0.00 0.00 0.00 175.10 173.20 2f73 s GLN 43 N 1.76 2.73 -0.36 2.72 0.74 -1.26 -1.66 119.66 124.32 2f73 s GLN 43 Ca 0.01 -0.60 0.01 0.00 0.05 0.00 0.00 55.36 54.83 2f73 s GLN 43 Cb -0.17 -2.61 0.14 0.00 1.10 0.00 0.00 33.01 31.47 2f73 s GLN 43 CO -0.12 0.64 0.23 -0.80 -0.55 0.00 0.00 175.29 174.69 2f73 s ASN 44 N -1.21 2.75 0.98 6.67 0.02 -0.26 -4.80 114.94 119.09 2f73 s ASN 44 Ca 0.16 -2.31 0.00 0.00 -1.02 0.00 0.00 52.86 49.69 2f73 s ASN 44 Cb -0.11 -0.40 0.00 0.00 0.02 0.00 0.00 41.25 40.76 2f73 s ASN 44 CO 0.06 -0.29 0.00 0.61 0.02 0.00 0.00 177.10 177.50 2f73 n GLY 45 N 3.88 1.49 0.00 0.66 0.00 -1.26 -1.76 105.19 108.19 2f73 n GLY 45 Ca 0.14 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.32 2f73 n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2f73 n LYS 46 N 0.00 0.67 -3.11 1.61 5.02 -1.26 -4.95 118.16 116.14 2f73 n LYS 46 Ca 0.00 -0.03 -0.39 0.00 -2.02 0.00 0.00 58.31 55.87 2f73 n LYS 46 Cb 0.00 -1.41 -0.05 0.00 -0.02 0.00 0.00 35.03 33.54 2f73 n LYS 46 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2f73 s HIS 47 N -2.90 3.65 -0.08 2.13 2.46 -0.72 -1.87 115.29 117.97 2f73 s HIS 47 Ca 0.05 1.27 0.03 0.00 0.47 0.00 0.00 55.06 56.88 2f73 s HIS 47 Cb 0.14 -2.72 0.01 0.00 -0.13 0.00 0.00 32.58 29.88 2f73 s HIS 47 CO 0.79 0.24 -0.18 -0.06 -2.47 0.00 0.00 174.74 173.07 2f73 s PHE 48 N 0.19 1.93 -0.14 3.88 0.40 -0.39 -1.10 117.98 122.76 2f73 s PHE 48 Ca 0.35 -0.73 0.01 0.00 -0.60 0.00 0.00 56.93 55.96 2f73 s PHE 48 Cb -0.18 -1.34 0.02 0.00 0.51 0.00 0.00 43.02 42.02 2f73 s PHE 48 CO 0.19 -0.32 -0.17 0.21 0.70 0.00 0.00 175.22 175.83 2f73 s LYS 49 N 0.45 2.53 -0.00 0.44 2.47 -0.67 -2.60 119.74 122.36 2f73 s LYS 49 Ca -0.15 -0.66 -0.05 0.00 -1.56 0.00 0.00 55.97 53.55 2f73 s LYS 49 Cb -0.16 -2.17 -0.00 0.00 -1.46 0.00 0.00 37.83 34.04 2f73 s LYS 49 CO 0.06 -0.12 0.09 -0.59 0.16 0.00 0.00 175.35 174.95 2f73 s PHE 50 N 1.13 0.06 -0.11 4.03 -0.71 -0.90 -0.28 117.98 121.20 2f73 s PHE 50 Ca -0.02 -0.13 -0.02 0.00 -1.04 0.00 0.00 56.93 55.72 2f73 s PHE 50 Cb -0.14 -0.06 0.04 0.00 -1.21 0.00 0.00 43.02 41.65 2f73 s PHE 50 CO -0.06 -0.22 0.03 0.99 -1.34 0.00 0.00 175.22 174.62 2f73 s THR 51 N -1.10 0.29 0.26 -4.49 2.01 -0.54 -0.96 115.64 111.11 2f73 s THR 51 Ca -0.12 -0.03 0.11 0.00 0.31 0.00 0.00 61.69 61.96 2f73 s THR 51 Cb -0.07 -0.60 -0.05 0.00 0.01 0.00 0.00 72.50 71.79 2f73 s THR 51 CO 0.01 0.08 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.20 2f73 s ILE 52 N 1.99 2.28 -0.13 1.82 1.09 -1.09 -0.53 121.20 126.63 2f73 s ILE 52 Ca 0.03 -2.35 -0.01 0.00 -1.10 0.00 0.00 60.65 57.23 2f73 s ILE 52 Cb -0.14 -2.23 -0.02 0.00 -1.06 0.00 0.00 42.46 39.02 2f73 s ILE 52 CO -0.06 -0.45 -0.11 0.42 -0.10 0.00 0.00 174.94 174.65 2f73 s THR 53 N -2.61 3.29 -0.29 2.92 -4.23 -1.26 -2.05 115.64 111.41 2f73 s THR 53 Ca 0.28 -0.58 -0.03 0.00 -1.18 0.00 0.00 61.69 60.17 2f73 s THR 53 Cb -0.04 -2.39 0.11 0.00 1.34 0.00 0.00 72.50 71.52 2f73 s THR 53 CO 0.13 0.52 0.16 0.00 -0.54 0.00 0.00 174.62 174.89 2f73 s ALA 54 N 0.24 0.45 0.00 3.99 0.00 -0.58 -4.83 121.76 121.03 2f73 s ALA 54 Ca -0.07 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 50.93 2f73 s ALA 54 Cb -0.15 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.52 2f73 s ALA 54 CO 0.05 -1.65 0.00 0.41 0.00 0.00 0.00 175.76 174.56 2f73 n GLY 55 N 5.26 0.33 1.72 0.00 0.00 -1.24 -3.04 105.19 108.21 2f73 n GLY 55 Ca -0.05 -0.81 0.06 0.00 0.00 0.00 0.00 46.02 45.22 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 5.59 5.15 -4.35 1.61 3.41 -1.20 -4.69 113.62 119.13 2f73 n SER 56 Ca 0.00 -2.80 -0.27 0.00 -0.26 0.00 0.00 58.87 55.54 2f73 n SER 56 Cb 0.00 -0.66 -0.13 0.00 -0.26 0.00 0.00 64.21 63.16 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 -2.51 1.32 -0.48 4.33 1.02 -1.17 -5.10 119.74 117.15 2f73 s LYS 57 Ca 0.48 -1.28 0.03 0.00 0.02 0.00 0.00 55.97 55.23 2f73 s LYS 57 Cb 0.36 -1.73 0.14 0.00 -0.52 0.00 0.00 37.83 36.08 2f73 s LYS 57 CO 0.15 0.41 0.27 0.54 -0.92 0.00 0.00 175.35 175.79 2f73 s VAL 58 N -1.08 1.83 0.47 3.17 0.11 -1.26 -1.52 120.40 122.12 2f73 s VAL 58 Ca 0.11 -2.91 -0.14 0.00 -2.93 0.00 0.00 61.98 56.11 2f73 s VAL 58 Cb -0.10 -2.27 -0.07 0.00 -1.53 0.00 0.00 36.38 32.41 2f73 s VAL 58 CO 0.05 -0.88 0.91 -0.63 -3.33 0.00 0.00 175.10 171.21 2f73 s ILE 59 N 0.02 4.63 -0.10 7.04 1.09 -0.87 -4.90 121.20 128.11 2f73 s ILE 59 Ca 0.18 0.99 0.02 0.00 -1.10 0.00 0.00 60.65 60.74 2f73 s ILE 59 Cb -0.23 -3.73 0.01 0.00 -1.06 0.00 0.00 42.46 37.46 2f73 s ILE 59 CO -0.02 -0.63 -0.14 -1.10 -0.10 0.00 0.00 174.94 172.95 2f73 s GLN 60 N -4.00 2.08 0.29 2.79 -0.21 -1.26 -2.65 119.66 116.70 2f73 s GLN 60 Ca 0.56 -0.52 0.03 0.00 0.02 0.00 0.00 55.36 55.45 2f73 s GLN 60 Cb -0.10 -1.77 -0.06 0.00 1.00 0.00 0.00 33.01 32.08 2f73 s GLN 60 CO 0.32 -0.04 0.07 -0.80 -2.12 0.00 0.00 175.29 172.71 2f73 s ASN 61 N 0.93 1.87 0.07 5.90 0.01 -0.14 -4.80 114.94 118.78 2f73 s ASN 61 Ca -0.08 -1.36 -0.05 0.00 -0.71 0.00 0.00 52.86 50.66 2f73 s ASN 61 Cb -0.15 0.02 -0.02 0.00 0.41 0.00 0.00 41.25 41.51 2f73 s ASN 61 CO -0.00 -0.64 0.08 -1.61 -1.51 0.00 0.00 177.10 173.41 2f73 s GLU 62 N -3.94 0.74 0.00 -0.60 2.02 -1.26 -2.12 118.70 113.53 2f73 s GLU 62 Ca 0.36 -1.10 0.00 0.00 0.02 0.00 0.00 54.97 54.25 2f73 s GLU 62 Cb 0.08 0.28 0.00 0.00 0.10 0.00 0.00 34.13 34.59 2f73 s GLU 62 CO 0.14 -0.19 0.00 1.97 0.02 0.00 0.00 175.26 177.20 2f73 n PHE 63 N 0.02 0.00 -5.15 1.61 1.16 -1.07 -4.72 117.46 109.31 2f73 n PHE 63 Ca -0.14 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.13 2f73 n PHE 63 Cb 0.62 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 38.32 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 1.94 0.40 1.97 2.01 -1.26 -1.26 115.64 117.44 2f73 s THR 64 Ca 0.00 -0.96 -0.26 0.00 0.31 0.00 0.00 61.69 60.78 2f73 s THR 64 Cb 0.00 -1.68 -0.11 0.00 0.01 0.00 0.00 72.50 70.73 2f73 s THR 64 CO 0.00 0.53 1.21 0.52 -0.69 0.00 0.00 174.62 176.19 2f73 n VAL 65 N 3.46 2.40 0.00 3.82 0.31 -0.78 -1.09 118.33 126.45 2f73 n VAL 65 Ca -0.19 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 2f73 n VAL 65 Cb 0.53 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 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 0.90 3.04 3.61 2.92 0.00 -0.76 -5.02 105.19 109.87 2f73 n GLY 66 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.37 2.19 0.27 1.61 2.02 -0.25 -4.97 118.70 119.20 2f73 s GLU 67 Ca 0.00 -1.29 -0.29 0.00 0.02 0.00 0.00 54.97 53.41 2f73 s GLU 67 Cb 0.00 -2.19 -0.09 0.00 0.10 0.00 0.00 34.13 31.95 2f73 s GLU 67 CO 0.00 0.42 0.98 -1.21 0.02 0.00 0.00 175.26 175.47 2f73 s GLU 68 N -3.12 4.72 0.24 1.61 2.02 -1.26 -4.01 118.70 118.90 2f73 s GLU 68 Ca 0.27 1.54 0.01 0.00 0.02 0.00 0.00 54.97 56.81 2f73 s GLU 68 Cb -0.08 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 30.98 2f73 s GLU 68 CO 0.17 0.37 0.15 0.00 0.02 0.00 0.00 175.26 175.97 2f73 s GLU 70 N -3.99 3.26 0.54 0.00 2.12 -1.25 -1.83 118.70 117.55 2f73 s GLU 70 Ca 0.39 -0.74 0.02 0.00 0.36 0.00 0.00 54.97 55.00 2f73 s GLU 70 Cb 0.06 -2.61 0.01 0.00 0.26 0.00 0.00 34.13 31.85 2f73 s GLU 70 CO 0.15 0.09 0.15 -0.51 -0.54 0.00 0.00 175.26 174.60 2f73 s LEU 71 N 0.65 2.37 -0.18 2.70 1.43 0.61 -4.76 118.68 121.49 2f73 s LEU 71 Ca -0.08 -1.55 0.01 0.00 -1.03 0.00 0.00 54.13 51.49 2f73 s LEU 71 Cb -0.16 -0.86 0.03 0.00 0.03 0.00 0.00 46.19 45.23 2f73 s LEU 71 CO 0.02 -0.99 -0.17 -0.70 0.23 0.00 0.00 176.35 174.74 2f73 s GLU 72 N -4.04 2.64 0.92 1.70 2.12 -1.26 -1.12 118.70 119.65 2f73 s GLU 72 Ca 0.13 -0.82 -0.11 0.00 0.36 0.00 0.00 54.97 54.54 2f73 s GLU 72 Cb -0.01 -2.47 0.14 0.00 0.26 0.00 0.00 34.13 32.06 2f73 s GLU 72 CO 0.08 -0.28 1.11 0.99 -0.54 0.00 0.00 175.26 176.62 2f73 s THR 73 N 1.33 2.47 -0.93 -1.70 2.01 0.16 -4.81 115.64 114.17 2f73 s THR 73 Ca 0.03 0.15 0.06 0.00 0.31 0.00 0.00 61.69 62.24 2f73 s THR 73 Cb -0.14 -2.37 0.05 0.00 0.01 0.00 0.00 72.50 70.05 2f73 s THR 73 CO -0.11 -0.20 1.18 0.23 -0.69 0.00 0.00 174.62 175.03 2f73 n MET 74 N -4.11 0.01 -0.17 4.92 0.00 -1.26 0.32 117.12 116.84 2f73 n MET 74 Ca 0.09 0.45 0.09 0.00 0.00 0.00 0.00 57.70 58.32 2f73 n MET 74 Cb 0.53 -1.54 0.26 0.00 0.00 0.00 0.00 33.22 32.47 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 -1.57 0.44 0.00 2.03 -2.24 -1.26 -4.92 114.28 106.75 2f73 n THR 75 Ca 0.01 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2f73 n THR 75 Cb 0.05 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 2f73 n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f73 n GLY 76 N 1.20 2.54 3.73 3.38 0.00 0.15 -4.95 105.19 111.24 2f73 n GLY 76 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 4.53 0.03 1.61 2.12 -1.26 -4.70 118.70 121.03 2f73 s GLU 77 Ca 0.00 1.78 -0.22 0.00 0.36 0.00 0.00 54.97 56.89 2f73 s GLU 77 Cb 0.00 -3.28 -0.06 0.00 0.26 0.00 0.00 34.13 31.06 2f73 s GLU 77 CO 0.00 -0.04 0.67 0.15 -0.54 0.00 0.00 175.26 175.50 2f73 s LYS 78 N -0.07 4.39 0.01 4.30 1.02 -1.26 0.37 119.74 128.50 2f73 s LYS 78 Ca 0.52 0.89 0.00 0.00 0.02 0.00 0.00 55.97 57.40 2f73 s LYS 78 Cb -0.31 -3.34 -0.01 0.00 -0.52 0.00 0.00 37.83 33.66 2f73 s LYS 78 CO 0.35 0.37 -0.01 0.14 -0.92 0.00 0.00 175.35 175.27 2f73 s VAL 79 N -0.26 0.09 -0.19 3.17 -7.23 -0.28 -4.91 120.40 110.79 2f73 s VAL 79 Ca 0.34 -0.25 -0.07 0.00 -1.81 0.00 0.00 61.98 60.19 2f73 s VAL 79 Cb -0.19 -0.12 -0.04 0.00 0.56 0.00 0.00 36.38 36.59 2f73 s VAL 79 CO 0.20 -0.11 0.05 -0.54 -0.31 0.00 0.00 175.10 174.40 2f73 s LYS 80 N -0.37 3.89 0.30 4.82 1.02 -1.24 0.22 119.74 128.38 2f73 s LYS 80 Ca -0.03 -0.39 -0.19 0.00 0.02 0.00 0.00 55.97 55.38 2f73 s LYS 80 Cb -0.03 -3.20 0.06 0.00 -0.52 0.00 0.00 37.83 34.14 2f73 s LYS 80 CO -0.00 0.19 0.86 -0.08 -0.92 0.00 0.00 175.35 175.40 2f73 s THR 81 N 0.58 0.00 -0.04 2.17 -1.32 -0.76 -4.90 115.64 111.36 2f73 s THR 81 Ca 0.02 -0.87 0.06 0.00 -1.21 0.00 0.00 61.69 59.70 2f73 s THR 81 Cb -0.13 -2.71 -0.01 0.00 -1.51 0.00 0.00 72.50 68.13 2f73 s THR 81 CO 0.01 0.00 -0.24 -0.69 -2.21 0.00 0.00 174.62 171.50 2f73 s VAL 82 N -2.54 1.92 -0.20 5.08 1.01 -1.26 -0.79 120.40 123.62 2f73 s VAL 82 Ca 0.16 -1.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 2f73 s VAL 82 Cb -0.04 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 2f73 s VAL 82 CO 0.09 0.54 0.20 -0.69 0.00 0.00 0.00 175.10 175.24 2f73 s VAL 83 N -0.31 5.35 0.52 2.92 1.01 -1.26 -4.46 120.40 124.18 2f73 s VAL 83 Ca 0.02 0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.36 2f73 s VAL 83 Cb -0.12 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.74 2f73 s VAL 83 CO 0.02 0.38 0.30 -1.10 0.00 0.00 0.00 175.10 174.69 2f73 s GLN 84 N 0.70 2.25 -0.06 2.72 -1.52 0.14 -1.84 119.66 122.05 2f73 s GLN 84 Ca 0.11 -2.08 0.01 0.00 -1.95 0.00 0.00 55.36 51.44 2f73 s GLN 84 Cb -0.13 -1.97 0.02 0.00 -0.22 0.00 0.00 33.01 30.72 2f73 s GLN 84 CO 0.02 -0.51 -0.06 -1.17 -0.25 0.00 0.00 175.29 173.32 2f73 s LEU 85 N -4.16 1.26 -0.03 2.90 2.96 -1.26 -1.57 118.68 118.78 2f73 s LEU 85 Ca 0.28 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 54.03 2f73 s LEU 85 Cb -0.01 -0.58 -0.03 0.00 0.50 0.00 0.00 46.19 46.06 2f73 s LEU 85 CO 0.17 -0.07 -0.05 -1.61 -1.32 0.00 0.00 176.35 173.47 2f73 s GLU 86 N 1.14 2.69 3.55 1.98 2.02 -0.33 -5.00 118.70 124.74 2f73 s GLU 86 Ca -0.07 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.30 2f73 s GLU 86 Cb -0.14 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.51 2f73 s GLU 86 CO -0.01 0.64 0.00 0.41 0.02 0.00 0.00 175.26 176.32 2f73 n GLY 87 N 1.84 1.78 0.09 -1.39 0.00 -1.26 -2.21 105.19 104.03 2f73 n GLY 87 Ca -0.17 -0.46 0.01 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.50 0.93 -0.68 1.61 5.68 -1.26 -4.71 116.55 116.63 2f73 n ASP 88 Ca 0.00 -0.97 0.04 0.00 -0.50 0.00 0.00 54.79 53.36 2f73 n ASP 88 Cb 0.00 0.29 0.05 0.00 -1.14 0.00 0.00 41.12 40.32 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 -0.18 0.89 -3.83 -1.12 6.94 -1.24 -1.83 115.26 114.88 2f73 n ASN 89 Ca 0.01 -2.42 -0.24 0.00 -0.02 0.00 0.00 54.58 51.91 2f73 n ASN 89 Cb 0.07 -0.31 -0.17 0.00 -2.36 0.00 0.00 39.78 37.01 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 -0.91 1.01 -0.36 -3.83 1.02 -0.94 -1.99 119.74 113.74 2f73 s LYS 90 Ca 0.19 -0.06 -0.10 0.00 0.02 0.00 0.00 55.97 56.02 2f73 s LYS 90 Cb 0.19 -1.23 0.03 0.00 -0.52 0.00 0.00 37.83 36.30 2f73 s LYS 90 CO -0.04 -0.28 0.19 -0.51 -0.92 0.00 0.00 175.35 173.79 2f73 s LEU 91 N 1.81 4.62 0.08 3.17 1.43 -0.56 -1.19 118.68 128.03 2f73 s LEU 91 Ca 0.04 -0.98 0.08 0.00 -1.03 0.00 0.00 54.13 52.25 2f73 s LEU 91 Cb -0.12 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 2f73 s LEU 91 CO -0.06 -0.36 -0.18 -0.69 0.23 0.00 0.00 176.35 175.28 2f73 s VAL 92 N 1.54 2.80 0.28 -1.59 1.01 -0.61 -1.85 120.40 121.98 2f73 s VAL 92 Ca 0.02 -1.34 -0.20 0.00 0.00 0.00 0.00 61.98 60.45 2f73 s VAL 92 Cb -0.19 -2.23 0.05 0.00 0.00 0.00 0.00 36.38 34.01 2f73 s VAL 92 CO 0.06 0.22 0.84 0.28 0.00 0.00 0.00 175.10 176.51 2f73 s THR 93 N -1.03 0.00 -0.18 3.92 -1.32 -1.03 0.26 115.64 116.26 2f73 s THR 93 Ca 0.16 -0.87 -0.16 0.00 -1.21 0.00 0.00 61.69 59.61 2f73 s THR 93 Cb -0.11 -2.48 0.05 0.00 -1.51 0.00 0.00 72.50 68.45 2f73 s THR 93 CO 0.07 0.00 0.49 -0.89 -2.21 0.00 0.00 174.62 172.08 2f73 s THR 94 N -2.90 -0.00 -0.10 5.08 2.01 -1.26 -1.40 115.64 117.07 2f73 s THR 94 Ca 0.15 0.01 -0.22 0.00 0.31 0.00 0.00 61.69 61.93 2f73 s THR 94 Cb -0.04 -0.68 0.05 0.00 0.01 0.00 0.00 72.50 71.83 2f73 s THR 94 CO 0.08 0.00 0.52 0.72 -0.69 0.00 0.00 174.62 175.25 2f73 s PHE 95 N 0.35 -0.49 -1.05 4.92 -0.12 -0.25 -4.73 117.98 116.61 2f73 s PHE 95 Ca -0.01 0.99 -0.05 0.00 -0.05 0.00 0.00 56.93 57.81 2f73 s PHE 95 Cb -0.04 0.24 0.05 0.00 -0.63 0.00 0.00 43.02 42.65 2f73 s PHE 95 CO -0.00 -0.43 0.13 1.63 -0.05 0.00 0.00 175.22 176.50 2f73 n LYS 96 N 1.70 -0.91 -1.35 1.99 5.02 -1.26 0.87 118.16 124.22 2f73 n LYS 96 Ca -0.18 0.07 -0.05 0.00 -2.02 0.00 0.00 58.31 56.13 2f73 n LYS 96 Cb 0.56 -2.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.06 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 -1.54 -3.28 -4.11 4.39 3.02 -1.26 -5.03 115.26 107.45 2f73 n ASN 97 Ca -0.11 0.09 -0.29 0.00 -0.03 0.00 0.00 54.58 54.24 2f73 n ASN 97 Cb 0.38 -1.52 -0.17 0.00 -0.61 0.00 0.00 39.78 37.86 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 -2.20 1.64 -0.37 2.41 1.01 0.25 -4.40 121.20 119.55 2f73 s ILE 98 Ca 0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 60.65 59.80 2f73 s ILE 98 Cb 0.00 -1.47 0.03 0.00 0.01 0.00 0.00 42.46 41.03 2f73 s ILE 98 CO 0.00 0.47 0.19 -0.75 0.00 0.00 0.00 174.94 174.85 2f73 s LYS 99 N 0.73 2.76 0.08 2.79 2.20 -1.08 -1.09 119.74 126.13 2f73 s LYS 99 Ca -0.11 -1.12 0.01 0.00 -0.36 0.00 0.00 55.97 54.39 2f73 s LYS 99 Cb -0.16 -3.68 -0.04 0.00 -1.51 0.00 0.00 37.83 32.44 2f73 s LYS 99 CO 0.02 -0.71 0.18 0.45 -0.36 0.00 0.00 175.35 174.93 2f73 s SER 100 N 1.53 6.09 -0.19 1.43 0.15 -0.49 -2.18 113.70 120.03 2f73 s SER 100 Ca 0.01 0.16 -0.05 0.00 0.70 0.00 0.00 55.95 56.78 2f73 s SER 100 Cb -0.19 -1.80 0.09 0.00 -1.71 0.00 0.00 66.02 62.41 2f73 s SER 100 CO 0.06 0.15 0.33 -0.69 1.20 0.00 0.00 173.24 174.30 2f73 s VAL 101 N -1.51 -0.52 -0.31 4.45 1.01 -0.16 -2.48 120.40 120.89 2f73 s VAL 101 Ca 0.33 0.12 -0.08 0.00 0.00 0.00 0.00 61.98 62.35 2f73 s VAL 101 Cb -0.12 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.63 2f73 s VAL 101 CO 0.26 0.01 0.12 -0.89 0.00 0.00 0.00 175.10 174.60 2f73 s THR 102 N 2.50 4.27 -0.10 3.92 2.01 -0.77 -0.78 115.64 126.68 2f73 s THR 102 Ca 0.04 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.46 2f73 s THR 102 Cb -0.13 -3.20 -0.01 0.00 0.01 0.00 0.00 72.50 69.16 2f73 s THR 102 CO -0.12 0.05 -0.18 -0.70 -0.69 0.00 0.00 174.62 172.98 2f73 s GLU 103 N 1.55 3.10 -0.12 4.92 2.12 0.08 -1.50 118.70 128.84 2f73 s GLU 103 Ca 0.03 -0.77 -0.05 0.00 0.36 0.00 0.00 54.97 54.54 2f73 s GLU 103 Cb -0.17 -2.45 -0.04 0.00 0.26 0.00 0.00 34.13 31.73 2f73 s GLU 103 CO 0.04 0.27 0.07 -1.17 -0.54 0.00 0.00 175.26 173.93 2f73 s LEU 104 N 0.17 3.98 -0.31 2.70 0.20 -0.84 0.11 118.68 124.68 2f73 s LEU 104 Ca -0.10 0.27 -0.02 0.00 0.69 0.00 0.00 54.13 54.97 2f73 s LEU 104 Cb -0.16 -1.96 0.12 0.00 -0.43 0.00 0.00 46.19 43.76 2f73 s LEU 104 CO 0.06 0.35 0.17 0.20 -0.29 0.00 0.00 176.35 176.83 2f73 s ASN 105 N -0.69 3.24 1.55 3.68 0.01 0.17 -4.79 114.94 118.11 2f73 s ASN 105 Ca 0.12 -1.55 0.00 0.00 -0.71 0.00 0.00 52.86 50.72 2f73 s ASN 105 Cb -0.12 -0.31 0.00 0.00 0.41 0.00 0.00 41.25 41.23 2f73 s ASN 105 CO 0.02 -0.39 0.00 0.61 -1.51 0.00 0.00 177.10 175.83 2f73 n GLY 106 N 4.86 2.33 0.89 0.66 0.00 -1.26 -1.29 105.19 111.38 2f73 n GLY 106 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 10.18 2.97 -4.65 1.61 8.00 -1.26 -4.93 116.55 128.47 2f73 n ASP 107 Ca 0.00 -1.87 -0.35 0.00 0.71 0.00 0.00 54.79 53.28 2f73 n ASP 107 Cb 0.00 -0.15 -0.09 0.00 -0.02 0.00 0.00 41.12 40.86 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 -1.38 4.85 -0.06 0.53 2.07 -0.41 -2.31 121.20 124.50 2f73 s ILE 108 Ca 0.29 -0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.52 2f73 s ILE 108 Cb 0.18 -3.19 -0.03 0.00 0.13 0.00 0.00 42.46 39.55 2f73 s ILE 108 CO 0.25 0.46 -0.04 -0.51 -1.91 0.00 0.00 174.94 173.20 2f73 s ILE 109 N 0.34 3.96 -0.21 2.00 2.07 -0.28 0.46 121.20 129.54 2f73 s ILE 109 Ca 0.04 -0.45 -0.03 0.00 -1.41 0.00 0.00 60.65 58.80 2f73 s ILE 109 Cb -0.12 -2.66 0.07 0.00 0.13 0.00 0.00 42.46 39.87 2f73 s ILE 109 CO -0.00 0.55 0.05 -0.89 -1.91 0.00 0.00 174.94 172.74 2f73 s THR 110 N -0.89 0.46 -0.32 4.00 2.01 0.12 -1.18 115.64 119.84 2f73 s THR 110 Ca 0.14 -0.61 -0.12 0.00 0.31 0.00 0.00 61.69 61.41 2f73 s THR 110 Cb -0.11 -1.04 -0.02 0.00 0.01 0.00 0.00 72.50 71.33 2f73 s THR 110 CO 0.04 -0.30 0.20 0.21 -0.69 0.00 0.00 174.62 174.08 2f73 s ASN 111 N 1.88 5.92 -0.17 3.53 3.84 -0.90 -0.75 114.94 128.29 2f73 s ASN 111 Ca 0.01 -0.32 -0.01 0.00 0.21 0.00 0.00 52.86 52.74 2f73 s ASN 111 Cb -0.17 -2.10 -0.01 0.00 -0.55 0.00 0.00 41.25 38.42 2f73 s ASN 111 CO -0.12 -0.17 -0.11 -0.89 -2.79 0.00 0.00 177.10 173.03 2f73 s THR 112 N 1.71 3.06 -0.29 -5.21 2.01 0.04 -1.56 115.64 115.40 2f73 s THR 112 Ca 0.06 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.46 2f73 s THR 112 Cb -0.17 -2.33 0.07 0.00 0.01 0.00 0.00 72.50 70.09 2f73 s THR 112 CO 0.10 0.49 -0.05 -0.04 -0.69 0.00 0.00 174.62 174.42 2f73 s MET 113 N 0.85 1.97 -0.27 4.92 -1.94 -0.45 -0.99 119.30 123.40 2f73 s MET 113 Ca -0.03 -1.52 -0.10 0.00 -1.71 0.00 0.00 55.69 52.32 2f73 s MET 113 Cb -0.15 -2.99 -0.05 0.00 2.01 0.00 0.00 34.83 33.65 2f73 s MET 113 CO 0.00 -0.70 0.17 0.95 -0.01 0.00 0.00 175.02 175.43 2f73 s THR 114 N 1.04 5.17 -0.36 2.05 -4.23 -0.93 -1.35 115.64 117.03 2f73 s THR 114 Ca -0.02 0.12 0.03 0.00 -1.18 0.00 0.00 61.69 60.64 2f73 s THR 114 Cb -0.20 -3.44 0.11 0.00 1.34 0.00 0.00 72.50 70.30 2f73 s THR 114 CO -0.06 0.28 0.10 -0.22 -0.54 0.00 0.00 174.62 174.18 2f73 s LEU 115 N 1.60 3.99 0.00 4.79 0.20 -0.35 -2.65 118.68 126.26 2f73 s LEU 115 Ca 0.07 -2.16 0.00 0.00 0.69 0.00 0.00 54.13 52.73 2f73 s LEU 115 Cb -0.15 -1.41 0.00 0.00 -0.43 0.00 0.00 46.19 44.19 2f73 s LEU 115 CO 0.09 -0.36 0.00 0.61 -0.29 0.00 0.00 176.35 176.39 2f73 n GLY 116 N 4.22 1.88 0.68 7.98 0.00 -1.26 -2.80 105.19 115.89 2f73 n GLY 116 Ca 0.03 -0.44 0.08 0.00 0.00 0.00 0.00 46.02 45.69 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 8.63 2.45 -4.75 1.61 9.92 -1.26 -4.96 116.55 128.19 2f73 n ASP 117 Ca 0.00 -1.71 -0.37 0.00 -0.53 0.00 0.00 54.79 52.18 2f73 n ASP 117 Cb 0.00 -0.03 -0.07 0.00 -0.64 0.00 0.00 41.12 40.39 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 -1.35 5.24 -0.37 0.53 1.01 -1.12 -5.05 121.20 120.09 2f73 s ILE 118 Ca 0.20 0.67 0.00 0.00 0.00 0.00 0.00 60.65 61.53 2f73 s ILE 118 Cb 0.14 -3.68 0.10 0.00 0.01 0.00 0.00 42.46 39.04 2f73 s ILE 118 CO 0.21 0.42 0.12 -0.69 0.00 0.00 0.00 174.94 175.00 2f73 s VAL 119 N 0.16 2.79 -0.92 2.92 1.01 -1.26 -1.22 120.40 123.88 2f73 s VAL 119 Ca 0.20 -2.17 -0.20 0.00 0.00 0.00 0.00 61.98 59.80 2f73 s VAL 119 Cb -0.14 -2.97 0.10 0.00 0.00 0.00 0.00 36.38 33.38 2f73 s VAL 119 CO 0.07 -0.63 1.19 0.12 0.00 0.00 0.00 175.10 175.85 2f73 s PHE 120 N 1.03 2.91 0.09 5.22 5.99 -0.46 -4.31 117.98 128.46 2f73 s PHE 120 Ca 0.09 -1.14 -0.01 0.00 0.00 0.00 0.00 56.93 55.86 2f73 s PHE 120 Cb -0.21 -4.39 -0.04 0.00 0.00 0.00 0.00 43.02 38.38 2f73 s PHE 120 CO -0.06 -1.62 0.26 0.21 -0.00 0.00 0.00 175.22 174.01 2f73 s LYS 121 N 3.44 3.49 -0.24 10.12 2.20 -1.16 -1.34 119.74 136.26 2f73 s LYS 121 Ca 0.35 -0.33 -0.03 0.00 -0.36 0.00 0.00 55.97 55.59 2f73 s LYS 121 Cb -0.05 -2.98 0.11 0.00 -1.51 0.00 0.00 37.83 33.40 2f73 s LYS 121 CO -0.07 0.56 0.23 1.03 -0.36 0.00 0.00 175.35 176.74 2f73 s ARG 122 N -2.56 0.22 0.25 4.03 0.52 -0.60 -0.85 118.95 119.96 2f73 s ARG 122 Ca 0.37 0.00 -0.23 0.00 -0.52 0.00 0.00 55.73 55.35 2f73 s ARG 122 Cb -0.13 -1.07 -0.09 0.00 0.52 0.00 0.00 34.95 34.19 2f73 s ARG 122 CO 0.27 -0.81 0.81 0.42 0.02 0.00 0.00 175.30 176.01 2f73 s ILE 123 N 2.30 4.40 0.02 1.52 -1.09 -1.16 -2.13 121.20 125.07 2f73 s ILE 123 Ca 0.08 1.56 -0.12 0.00 -2.23 0.00 0.00 60.65 59.93 2f73 s ILE 123 Cb -0.15 -3.97 0.01 0.00 -1.58 0.00 0.00 42.46 36.77 2f73 s ILE 123 CO -0.21 0.24 0.25 -0.44 -1.23 0.00 0.00 174.94 173.56 2f73 s SER 124 N -1.55 -0.08 0.25 3.58 0.01 -0.32 -0.96 113.70 114.63 2f73 s SER 124 Ca 0.44 -0.15 0.12 0.00 1.31 0.00 0.00 55.95 57.67 2f73 s SER 124 Cb -0.19 0.30 -0.05 0.00 0.21 0.00 0.00 66.02 66.30 2f73 s SER 124 CO 0.23 -0.51 -0.21 -0.75 0.41 0.00 0.00 173.24 172.41 2f73 s LYS 125 N -1.97 1.62 0.14 12.44 2.20 0.21 -1.12 119.74 133.26 2f73 s LYS 125 Ca -0.09 -1.69 -0.10 0.00 -0.36 0.00 0.00 55.97 53.73 2f73 s LYS 125 Cb -0.03 -1.78 -0.06 0.00 -1.51 0.00 0.00 37.83 34.44 2f73 s LYS 125 CO -0.00 0.35 0.46 0.50 -0.36 0.00 0.00 175.35 176.30 2f73 s ARG 126 N -3.24 3.79 0.00 4.03 3.52 -0.98 0.01 118.95 126.08 2f73 s ARG 126 Ca 0.27 0.21 0.00 0.00 -0.13 0.00 0.00 55.73 56.08 2f73 s ARG 126 Cb -0.06 -2.86 0.00 0.00 -1.56 0.00 0.00 34.95 30.47 2f73 s ARG 126 CO 0.13 0.46 0.27 0.44 -0.81 0.00 0.00 175.30 175.79