#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 0.08 -0.03 2.61 -4.23 -1.26 -5.17 115.64 107.64 2f73 s THR -7 Ca 0.00 -0.66 0.08 0.00 -1.18 0.00 0.00 61.69 59.92 2f73 s THR -7 Cb 0.00 -0.44 -0.02 0.00 1.34 0.00 0.00 72.50 73.38 2f73 s THR -7 CO 0.00 -0.36 -0.26 -1.61 -0.54 0.00 0.00 174.62 171.85 2f73 s GLU -6 N -1.35 2.19 -0.38 3.99 0.41 -1.26 -5.11 118.70 117.19 2f73 s GLU -6 Ca -0.14 -0.92 -0.19 0.00 -0.41 0.00 0.00 54.97 53.30 2f73 s GLU -6 Cb -0.07 -2.06 0.01 0.00 -1.78 0.00 0.00 34.13 30.22 2f73 s GLU -6 CO 0.02 0.53 0.58 -0.80 -0.49 0.00 0.00 175.26 175.09 2f73 s ASN -5 N -0.53 6.34 -0.49 -0.19 0.02 -1.26 -5.02 114.94 113.81 2f73 s ASN -5 Ca 0.08 -0.13 -0.08 0.00 -1.02 0.00 0.00 52.86 51.70 2f73 s ASN -5 Cb -0.11 -2.29 0.13 0.00 0.02 0.00 0.00 41.25 38.99 2f73 s ASN -5 CO -0.00 -0.61 0.35 -0.76 0.02 0.00 0.00 177.10 176.10 2f73 s LEU -4 N 2.58 5.65 -0.16 0.60 1.02 -1.26 -5.06 118.68 122.05 2f73 s LEU -4 Ca 0.21 -2.04 -0.05 0.00 0.02 0.00 0.00 54.13 52.27 2f73 s LEU -4 Cb -0.15 -1.98 -0.03 0.00 0.02 0.00 0.00 46.19 44.04 2f73 s LEU -4 CO 0.15 -0.64 0.01 -0.31 0.02 0.00 0.00 176.35 175.58 2f73 s TYR -3 N 1.17 3.14 0.18 0.29 4.12 -1.26 -5.11 117.35 119.88 2f73 s TYR -3 Ca 0.07 -0.07 0.10 0.00 0.02 0.00 0.00 57.07 57.19 2f73 s TYR -3 Cb -0.25 -1.98 -0.04 0.00 -1.52 0.00 0.00 41.96 38.17 2f73 s TYR -3 CO -0.02 0.12 -0.21 -0.06 0.02 0.00 0.00 175.55 175.40 2f73 s PHE -2 N 0.18 2.06 -0.09 2.71 0.08 -1.26 -5.14 117.98 116.52 2f73 s PHE -2 Ca 0.01 -0.41 0.04 0.00 0.12 0.00 0.00 56.93 56.69 2f73 s PHE -2 Cb -0.13 -1.01 -0.01 0.00 -0.57 0.00 0.00 43.02 41.30 2f73 s PHE -2 CO 0.02 0.43 -0.23 -0.65 -0.10 0.00 0.00 175.22 174.68 2f73 s GLN -1 N -2.79 2.90 0.50 0.44 -0.21 -1.26 -5.11 119.66 114.13 2f73 s GLN -1 Ca 0.19 -0.87 0.02 0.00 0.02 0.00 0.00 55.36 54.72 2f73 s GLN -1 Cb -0.07 -2.28 -0.02 0.00 1.00 0.00 0.00 33.01 31.64 2f73 s GLN -1 CO 0.09 0.26 0.00 -1.54 -2.12 0.00 0.00 175.29 171.98 2f73 s SER 0 N 0.15 4.09 0.00 5.90 1.04 -1.26 -4.61 113.70 119.02 2f73 s SER 0 Ca -0.13 -1.62 0.13 0.00 0.48 0.00 0.00 55.95 54.82 2f73 s SER 0 Cb -0.16 0.41 0.42 0.00 0.10 0.00 0.00 66.02 66.79 2f73 s SER 0 CO 0.07 -0.80 1.33 0.23 0.98 0.00 0.00 173.24 175.05 2f73 n MET 1 N -1.23 1.80 -2.48 4.02 2.81 0.11 -5.00 117.12 117.16 2f73 n MET 1 Ca -0.17 -1.24 -0.03 0.00 -1.81 0.00 0.00 57.70 54.44 2f73 n MET 1 Cb 0.67 -1.31 -0.03 0.00 -0.71 0.00 0.00 33.22 31.84 2f73 n MET 1 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2f73 n SER 2 N 0.49 -2.65 -0.33 7.83 2.88 -1.26 -4.84 113.62 115.74 2f73 n SER 2 Ca 0.13 1.19 0.14 0.00 -1.33 0.00 0.00 58.87 59.01 2f73 n SER 2 Cb 0.31 -4.73 0.63 0.00 -0.75 0.00 0.00 64.21 59.67 2f73 n SER 2 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2f73 n PHE 3 N 1.20 0.00 -1.84 0.66 3.72 -1.26 -4.90 117.46 115.04 2f73 n PHE 3 Ca -0.25 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.73 2f73 n PHE 3 Cb 0.39 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.90 2f73 n PHE 3 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2f73 s SER 4 N -2.05 6.47 0.00 4.37 0.01 -1.26 -4.58 113.70 116.65 2f73 s SER 4 Ca 0.39 2.82 0.00 0.00 1.31 0.00 0.00 55.95 60.48 2f73 s SER 4 Cb 0.21 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2f73 s SER 4 CO 0.36 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.75 2f73 n GLY 5 N 2.76 -0.31 3.24 3.44 0.00 -0.38 -4.95 105.19 108.98 2f73 n GLY 5 Ca 0.10 -1.39 -0.33 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.88 3.16 -0.08 1.61 1.02 -1.26 -0.96 119.74 121.34 2f73 s LYS 6 Ca 0.00 -0.78 0.03 0.00 0.02 0.00 0.00 55.97 55.24 2f73 s LYS 6 Cb 0.00 -2.56 -0.02 0.00 -0.52 0.00 0.00 37.83 34.74 2f73 s LYS 6 CO 0.00 0.02 -0.18 0.71 -0.92 0.00 0.00 175.35 174.97 2f73 s TYR 7 N 0.79 2.64 -0.21 3.18 1.51 0.30 -1.13 117.35 124.44 2f73 s TYR 7 Ca -0.06 -0.57 -0.16 0.00 -1.01 0.00 0.00 57.07 55.27 2f73 s TYR 7 Cb -0.15 -1.70 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 2f73 s TYR 7 CO -0.00 -0.12 0.39 -1.14 -1.11 0.00 0.00 175.55 173.56 2f73 s GLN 8 N -0.11 4.16 -0.02 -0.62 2.00 0.22 -1.08 119.66 124.21 2f73 s GLN 8 Ca -0.03 0.17 -0.30 0.00 -2.00 0.00 0.00 55.36 53.20 2f73 s GLN 8 Cb -0.14 -3.55 -0.06 0.00 0.80 0.00 0.00 33.01 30.07 2f73 s GLN 8 CO 0.04 -0.05 1.53 -1.17 -0.50 0.00 0.00 175.29 175.14 2f73 s LEU 9 N 1.36 4.32 -0.21 3.68 2.96 -0.26 -0.76 118.68 129.77 2f73 s LEU 9 Ca 0.18 2.20 -0.16 0.00 -0.22 0.00 0.00 54.13 56.14 2f73 s LEU 9 Cb -0.15 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 42.90 2f73 s LEU 9 CO 0.08 -0.83 -0.22 0.00 -1.32 0.00 0.00 176.35 174.06 2f73 n GLN 10 N 6.14 0.54 -4.03 1.98 1.13 0.22 -4.67 117.38 118.69 2f73 n GLN 10 Ca 0.15 0.35 -0.13 0.00 -1.94 0.00 0.00 57.00 55.43 2f73 n GLN 10 Cb 0.43 -1.56 -0.13 0.00 0.11 0.00 0.00 30.24 29.09 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 -6.55 0.46 -0.06 1.08 0.15 -1.06 -5.02 113.70 102.71 2f73 s SER 11 Ca -0.29 -0.27 -0.00 0.00 0.70 0.00 0.00 55.95 56.08 2f73 s SER 11 Cb 0.07 0.01 0.03 0.00 -1.71 0.00 0.00 66.02 64.42 2f73 s SER 11 CO 0.44 -0.09 -0.02 -1.58 1.20 0.00 0.00 173.24 173.19 2f73 s GLN 12 N -0.73 0.71 -0.13 5.44 0.74 -1.26 -1.05 119.66 123.37 2f73 s GLN 12 Ca -0.05 0.01 -0.01 0.00 0.05 0.00 0.00 55.36 55.36 2f73 s GLN 12 Cb -0.05 -0.91 -0.02 0.00 1.10 0.00 0.00 33.01 33.13 2f73 s GLN 12 CO -0.00 -0.20 -0.09 -1.21 -0.55 0.00 0.00 175.29 173.24 2f73 s GLU 13 N 1.48 3.38 -1.18 1.67 2.02 0.31 -4.69 118.70 121.70 2f73 s GLU 13 Ca -0.02 -0.61 -0.01 0.00 0.02 0.00 0.00 54.97 54.35 2f73 s GLU 13 Cb -0.13 -2.72 -0.01 0.00 0.10 0.00 0.00 34.13 31.37 2f73 s GLU 13 CO -0.03 0.30 0.99 0.09 0.02 0.00 0.00 175.26 176.62 2f73 n ASN 14 N 3.31 -2.76 0.02 -0.19 5.03 -1.26 -1.12 115.26 118.29 2f73 n ASN 14 Ca -0.18 -0.63 -0.12 0.00 0.87 0.00 0.00 54.58 54.51 2f73 n ASN 14 Cb 0.53 -5.14 -0.09 0.00 -1.02 0.00 0.00 39.78 34.05 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 -1.77 -0.10 -0.28 3.10 3.57 -1.93 -2.94 116.94 116.60 2f73 h PHE 15 Ca -0.59 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 60.85 2f73 h PHE 15 Cb 1.34 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.10 2f73 h PHE 15 CO 0.42 0.41 -0.04 0.93 -2.23 0.00 0.00 178.31 177.80 2f73 h GLU 16 N -0.67 0.52 0.45 1.11 5.08 -1.94 -0.75 114.58 118.39 2f73 h GLU 16 Ca -0.01 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 2f73 h GLU 16 Cb 0.55 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2f73 h GLU 16 CO 0.02 0.70 -0.22 0.00 -1.00 0.00 0.00 179.01 178.51 2f73 h ALA 17 N 0.80 -0.61 0.12 3.43 0.00 -1.99 -2.06 119.26 118.95 2f73 h ALA 17 Ca 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2f73 h ALA 17 Cb 0.50 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2f73 h ALA 17 CO 0.02 -0.83 -0.10 0.35 0.00 0.00 0.00 179.25 178.69 2f73 h PHE 18 N -0.63 -0.27 -1.58 0.00 3.57 -1.56 0.70 116.94 117.18 2f73 h PHE 18 Ca -0.06 0.00 0.47 0.00 3.53 0.00 0.00 57.97 61.91 2f73 h PHE 18 Cb 0.48 0.10 -0.08 0.00 2.79 0.00 0.00 35.95 39.24 2f73 h PHE 18 CO -0.04 -0.14 1.11 0.52 -2.23 0.00 0.00 178.31 177.53 2f73 h MET 19 N -0.21 0.04 0.09 1.11 2.86 -1.21 0.46 114.93 118.06 2f73 h MET 19 Ca -0.02 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2f73 h MET 19 Cb 0.18 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2f73 h MET 19 CO -0.00 0.02 -0.04 0.87 1.06 0.00 0.00 176.91 178.82 2f73 h LYS 20 N 0.04 -0.12 -1.08 1.72 1.57 -0.83 -1.97 116.57 115.90 2f73 h LYS 20 Ca 0.80 0.01 0.31 0.00 -1.87 0.00 0.00 60.65 59.91 2f73 h LYS 20 Cb 3.01 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 35.30 2f73 h LYS 20 CO -0.13 0.42 0.78 0.00 -0.57 0.00 0.00 179.45 179.95 2f73 h ALA 21 N -0.07 3.03 -0.02 3.86 0.00 0.23 0.29 119.26 126.57 2f73 h ALA 21 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2f73 h ALA 21 Cb 0.59 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2f73 h ALA 21 CO 0.02 -1.34 -0.11 0.44 0.00 0.00 0.00 179.25 178.25 2f73 n ILE 22 N -4.20 0.00 -1.12 0.00 -5.35 -0.78 -4.99 119.36 102.92 2f73 n ILE 22 Ca 0.23 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 2f73 n ILE 22 Cb 1.15 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 40.08 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 1.31 0.83 3.81 3.28 0.00 0.10 -4.97 105.19 109.55 2f73 n GLY 23 Ca 0.14 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.62 4.09 0.20 0.99 2.96 -0.74 -5.04 118.68 120.52 2f73 s LEU 24 Ca 0.00 0.35 -0.32 0.00 -0.22 0.00 0.00 54.13 53.94 2f73 s LEU 24 Cb 0.00 -1.98 -0.12 0.00 0.50 0.00 0.00 46.19 44.59 2f73 s LEU 24 CO 0.00 0.40 1.72 -2.65 -1.32 0.00 0.00 176.35 174.49 2f73 n PRO 25 N 2.03 2.73 -0.47 0.98 -0.02 -1.26 -4.69 135.00 134.30 2f73 n PRO 25 Ca -0.19 0.98 0.40 0.00 -2.02 0.00 0.00 63.50 62.67 2f73 n PRO 25 Cb 0.54 -2.83 0.72 0.00 -0.02 0.00 0.00 33.50 31.92 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 6.75 0.06 0.00 -0.52 4.39 -1.98 -2.40 114.58 120.88 2f73 h GLU 26 Ca -0.43 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2f73 h GLU 26 Cb 1.21 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2f73 h GLU 26 CO 0.95 0.04 0.00 -1.91 -1.16 0.00 0.00 179.01 176.93 2f73 n GLU 27 N -4.28 0.00 -0.33 2.33 4.07 -1.26 -1.55 120.64 119.61 2f73 n GLU 27 Ca 0.34 0.26 0.11 0.00 -0.06 0.00 0.00 57.16 57.81 2f73 n GLU 27 Cb 1.49 -1.01 0.23 0.00 -0.06 0.00 0.00 31.44 32.09 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 -0.59 0.07 4.31 3.38 -1.87 -1.88 115.31 118.74 2f73 h LEU 28 Ca 0.00 0.27 0.02 0.00 0.09 0.00 0.00 57.88 58.27 2f73 h LEU 28 Cb 0.00 0.50 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 2f73 h LEU 28 CO 0.00 -0.32 -0.33 0.40 0.09 0.00 0.00 178.44 178.28 2f73 h ILE 29 N 0.02 0.30 0.00 1.22 2.04 -1.24 0.40 117.51 120.25 2f73 h ILE 29 Ca 0.54 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.40 2f73 h ILE 29 Cb 1.02 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 2f73 h ILE 29 CO -0.92 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.23 2f73 n GLN 30 N -5.42 0.09 -0.07 2.37 1.13 -0.59 -0.43 117.38 114.45 2f73 n GLN 30 Ca -0.06 0.22 -0.22 0.00 -1.94 0.00 0.00 57.00 55.01 2f73 n GLN 30 Cb 0.33 -1.50 -0.12 0.00 0.11 0.00 0.00 30.24 29.06 2f73 n GLN 30 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 2f73 h LYS 31 N 0.00 0.08 -0.00 -1.09 1.63 0.26 -3.38 116.57 114.06 2f73 h LYS 31 Ca 0.00 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 2f73 h LYS 31 Cb 0.17 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 2f73 h LYS 31 CO 0.00 1.06 -0.34 0.41 -3.45 0.00 0.00 179.45 177.13 2f73 n GLY 32 N 1.59 -1.04 0.32 5.01 0.00 0.10 -4.42 105.19 106.75 2f73 n GLY 32 Ca -0.32 -0.34 0.03 0.00 0.00 0.00 0.00 46.02 45.40 2f73 n GLY 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2f73 n LYS 33 N -1.19 -0.12 -3.02 1.61 5.02 0.42 -2.46 118.16 118.42 2f73 n LYS 33 Ca 0.09 1.34 -0.28 0.00 -2.02 0.00 0.00 58.31 57.43 2f73 n LYS 33 Cb 0.33 -1.99 -0.04 0.00 -0.02 0.00 0.00 35.03 33.31 2f73 n LYS 33 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2f73 n ASP 34 N -5.36 4.56 -3.94 4.39 10.43 -1.26 -4.98 116.55 120.40 2f73 n ASP 34 Ca 0.12 -3.64 -0.30 0.00 2.57 0.00 0.00 54.79 53.54 2f73 n ASP 34 Cb 0.40 -0.63 -0.15 0.00 1.84 0.00 0.00 41.12 42.58 2f73 n ASP 34 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2f73 s ILE 35 N -4.05 1.58 -0.73 0.53 1.01 -1.03 -5.06 121.20 113.46 2f73 s ILE 35 Ca 0.46 -1.35 -0.18 0.00 0.00 0.00 0.00 60.65 59.58 2f73 s ILE 35 Cb 0.24 -1.89 0.13 0.00 0.01 0.00 0.00 42.46 40.96 2f73 s ILE 35 CO -0.11 -0.18 0.83 -0.54 0.00 0.00 0.00 174.94 174.94 2f73 s LYS 36 N 1.35 3.30 0.00 2.79 1.02 -1.26 -4.72 119.74 122.22 2f73 s LYS 36 Ca -0.03 -1.67 0.00 0.00 0.02 0.00 0.00 55.97 54.29 2f73 s LYS 36 Cb -0.19 -4.46 0.00 0.00 -0.52 0.00 0.00 37.83 32.66 2f73 s LYS 36 CO -0.08 -1.55 0.00 0.41 -0.92 0.00 0.00 175.35 173.21 2f73 n GLY 37 N 5.05 0.53 2.92 -3.33 0.00 -1.26 -4.64 105.19 104.46 2f73 n GLY 37 Ca 0.04 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 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 0.41 1.38 0.32 1.61 1.01 -1.26 -1.11 120.40 122.77 2f73 s VAL 38 Ca 0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 61.98 60.90 2f73 s VAL 38 Cb 0.00 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 2f73 s VAL 38 CO 0.00 -0.03 0.61 -0.44 0.00 0.00 0.00 175.10 175.24 2f73 s SER 39 N 1.48 6.44 0.02 3.32 0.01 -0.24 -4.54 113.70 120.19 2f73 s SER 39 Ca -0.03 0.79 0.03 0.00 1.31 0.00 0.00 55.95 58.05 2f73 s SER 39 Cb -0.18 -2.18 -0.01 0.00 0.21 0.00 0.00 66.02 63.86 2f73 s SER 39 CO -0.07 -0.26 -0.10 -0.70 0.41 0.00 0.00 173.24 172.52 2f73 s GLU 40 N -3.71 0.71 0.01 12.44 2.12 -0.11 -0.54 118.70 129.63 2f73 s GLU 40 Ca 0.45 -0.51 0.04 0.00 0.36 0.00 0.00 54.97 55.31 2f73 s GLU 40 Cb -0.11 -0.66 -0.01 0.00 0.26 0.00 0.00 34.13 33.61 2f73 s GLU 40 CO 0.31 0.17 -0.13 0.42 -0.54 0.00 0.00 175.26 175.49 2f73 s ILE 41 N -0.60 1.04 -0.25 -3.70 1.01 -0.13 -0.63 121.20 117.94 2f73 s ILE 41 Ca 0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 59.92 2f73 s ILE 41 Cb -0.06 -0.90 0.08 0.00 0.01 0.00 0.00 42.46 41.60 2f73 s ILE 41 CO 0.00 0.18 0.07 -0.69 0.00 0.00 0.00 174.94 174.50 2f73 s VAL 42 N -0.51 0.52 -0.17 2.92 1.01 0.32 -1.25 120.40 123.24 2f73 s VAL 42 Ca 0.04 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 2f73 s VAL 42 Cb -0.06 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 2f73 s VAL 42 CO 0.00 -0.45 0.02 -1.58 0.00 0.00 0.00 175.10 173.08 2f73 s GLN 43 N 1.83 3.81 -0.35 2.72 0.74 -1.26 -0.80 119.66 126.36 2f73 s GLN 43 Ca 0.04 -0.44 0.00 0.00 0.05 0.00 0.00 55.36 55.02 2f73 s GLN 43 Cb -0.17 -3.08 0.11 0.00 1.10 0.00 0.00 33.01 30.97 2f73 s GLN 43 CO -0.19 0.22 0.13 -0.80 -0.55 0.00 0.00 175.29 174.11 2f73 s ASN 44 N 0.46 3.97 1.86 6.67 -0.87 0.11 -4.84 114.94 122.29 2f73 s ASN 44 Ca -0.00 -1.94 0.00 0.00 -1.57 0.00 0.00 52.86 49.35 2f73 s ASN 44 Cb -0.13 -0.95 0.00 0.00 -0.02 0.00 0.00 41.25 40.14 2f73 s ASN 44 CO 0.02 -0.37 0.00 0.61 -2.57 0.00 0.00 177.10 174.78 2f73 n GLY 45 N 4.46 3.51 0.24 0.66 0.00 -1.26 -0.94 105.19 111.87 2f73 n GLY 45 Ca 0.01 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 -6.25 1.61 1.57 -1.96 -3.45 116.57 108.09 2f73 h LYS 46 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2f73 h LYS 46 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 2f73 h LYS 46 CO 0.00 0.05 0.05 -1.58 -0.57 0.00 0.00 179.45 177.40 2f73 s HIS 47 N -3.47 3.77 0.08 -1.35 2.46 -0.11 -1.80 115.29 114.86 2f73 s HIS 47 Ca 0.03 1.35 0.07 0.00 0.47 0.00 0.00 55.06 56.99 2f73 s HIS 47 Cb 0.08 -2.65 -0.03 0.00 -0.13 0.00 0.00 32.58 29.85 2f73 s HIS 47 CO 0.61 0.44 -0.19 -0.06 -2.47 0.00 0.00 174.74 173.06 2f73 s PHE 48 N -0.61 1.65 -0.06 3.88 0.40 0.28 0.06 117.98 123.59 2f73 s PHE 48 Ca 0.33 -0.41 -0.03 0.00 -0.60 0.00 0.00 56.93 56.22 2f73 s PHE 48 Cb -0.20 -0.93 0.04 0.00 0.51 0.00 0.00 43.02 42.44 2f73 s PHE 48 CO 0.20 0.14 0.13 0.21 0.70 0.00 0.00 175.22 176.61 2f73 s LYS 49 N -1.64 0.05 0.03 0.44 2.20 0.02 -1.80 119.74 119.04 2f73 s LYS 49 Ca 0.05 0.39 -0.11 0.00 -0.36 0.00 0.00 55.97 55.94 2f73 s LYS 49 Cb -0.10 -0.23 0.01 0.00 -1.51 0.00 0.00 37.83 36.01 2f73 s LYS 49 CO 0.03 -0.21 0.23 -0.59 -0.36 0.00 0.00 175.35 174.46 2f73 s PHE 50 N 1.45 -0.02 -0.09 4.03 -0.12 -0.31 0.12 117.98 123.05 2f73 s PHE 50 Ca -0.06 -0.13 0.02 0.00 -0.05 0.00 0.00 56.93 56.71 2f73 s PHE 50 Cb -0.12 0.02 0.01 0.00 -0.63 0.00 0.00 43.02 42.30 2f73 s PHE 50 CO -0.05 -0.43 -0.13 0.99 -0.05 0.00 0.00 175.22 175.54 2f73 s THR 51 N -2.31 1.29 -0.14 -4.49 2.01 0.20 -0.87 115.64 111.32 2f73 s THR 51 Ca -0.07 -0.53 -0.01 0.00 0.31 0.00 0.00 61.69 61.39 2f73 s THR 51 Cb -0.02 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 2f73 s THR 51 CO -0.02 0.40 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.55 2f73 s ILE 52 N 0.92 3.01 -0.40 1.82 -1.09 0.39 -0.93 121.20 124.93 2f73 s ILE 52 Ca -0.09 -0.66 -0.17 0.00 -2.23 0.00 0.00 60.65 57.50 2f73 s ILE 52 Cb -0.15 -2.28 0.01 0.00 -1.58 0.00 0.00 42.46 38.46 2f73 s ILE 52 CO 0.00 0.51 0.44 0.42 -1.23 0.00 0.00 174.94 175.09 2f73 s THR 53 N 0.57 5.08 -0.29 2.92 -4.23 -1.26 0.14 115.64 118.57 2f73 s THR 53 Ca -0.08 -0.16 0.01 0.00 -1.18 0.00 0.00 61.69 60.29 2f73 s THR 53 Cb -0.16 -3.99 0.08 0.00 1.34 0.00 0.00 72.50 69.77 2f73 s THR 53 CO 0.03 -0.34 0.02 0.00 -0.54 0.00 0.00 174.62 173.79 2f73 s ALA 54 N 2.18 2.15 0.00 3.99 0.00 0.16 -4.78 121.76 125.46 2f73 s ALA 54 Ca 0.13 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.29 2f73 s ALA 54 Cb -0.17 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.31 2f73 s ALA 54 CO 0.13 -1.46 0.00 0.41 0.00 0.00 0.00 175.76 174.84 2f73 n GLY 55 N 4.58 2.48 0.58 0.00 0.00 -1.26 -2.08 105.19 109.49 2f73 n GLY 55 Ca -0.05 -0.24 0.07 0.00 0.00 0.00 0.00 46.02 45.80 2f73 n GLY 55 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2f73 n SER 56 N 9.43 2.22 -4.64 1.61 7.64 -1.26 -4.70 113.62 123.93 2f73 n SER 56 Ca 0.00 -1.61 -0.35 0.00 1.01 0.00 0.00 58.87 57.93 2f73 n SER 56 Cb 0.00 -0.01 -0.10 0.00 -1.01 0.00 0.00 64.21 63.09 2f73 n SER 56 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2f73 s LYS 57 N -1.18 3.64 -0.16 1.43 1.02 -0.88 -5.10 119.74 118.50 2f73 s LYS 57 Ca 0.17 -0.38 -0.08 0.00 0.02 0.00 0.00 55.97 55.70 2f73 s LYS 57 Cb 0.12 -3.05 -0.04 0.00 -0.52 0.00 0.00 37.83 34.34 2f73 s LYS 57 CO 0.18 0.41 0.11 0.08 -0.92 0.00 0.00 175.35 175.20 2f73 s VAL 58 N -0.04 5.21 -0.09 3.17 1.01 -1.26 0.40 120.40 128.80 2f73 s VAL 58 Ca 0.05 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.15 2f73 s VAL 58 Cb -0.12 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 32.95 2f73 s VAL 58 CO 0.01 0.51 -0.12 -0.63 0.00 0.00 0.00 175.10 174.88 2f73 s ILE 59 N -0.14 1.21 -0.05 2.22 -1.09 0.38 -4.93 121.20 118.80 2f73 s ILE 59 Ca 0.09 -0.47 -0.13 0.00 -2.23 0.00 0.00 60.65 57.92 2f73 s ILE 59 Cb -0.12 -1.14 -0.05 0.00 -1.58 0.00 0.00 42.46 39.57 2f73 s ILE 59 CO 0.01 0.38 0.33 -1.58 -1.23 0.00 0.00 174.94 172.85 2f73 s GLN 60 N 1.10 3.81 0.03 2.79 0.74 -1.26 -0.46 119.66 126.41 2f73 s GLN 60 Ca -0.06 0.24 -0.15 0.00 0.05 0.00 0.00 55.36 55.44 2f73 s GLN 60 Cb -0.14 -3.23 0.02 0.00 1.10 0.00 0.00 33.01 30.76 2f73 s GLN 60 CO -0.02 0.68 0.32 -0.80 -0.55 0.00 0.00 175.29 174.92 2f73 s ASN 61 N -0.94 -0.17 -0.03 6.67 0.01 -0.05 -4.72 114.94 115.72 2f73 s ASN 61 Ca 0.21 -0.10 -0.10 0.00 -0.71 0.00 0.00 52.86 52.15 2f73 s ASN 61 Cb -0.15 0.36 0.01 0.00 0.41 0.00 0.00 41.25 41.88 2f73 s ASN 61 CO 0.10 -0.59 0.23 -0.70 -1.51 0.00 0.00 177.10 174.63 2f73 s GLU 62 N -2.30 0.50 0.16 -0.60 2.12 -1.26 -1.16 118.70 116.16 2f73 s GLU 62 Ca -0.07 -0.14 -0.24 0.00 0.36 0.00 0.00 54.97 54.88 2f73 s GLU 62 Cb -0.02 0.22 0.06 0.00 0.26 0.00 0.00 34.13 34.65 2f73 s GLU 62 CO -0.02 -0.12 0.77 -0.59 -0.54 0.00 0.00 175.26 174.76 2f73 s PHE 63 N -0.99 -0.32 -0.12 5.30 -0.12 -0.74 -4.68 117.98 116.31 2f73 s PHE 63 Ca -0.11 0.03 0.02 0.00 -0.05 0.00 0.00 56.93 56.82 2f73 s PHE 63 Cb -0.05 0.62 0.01 0.00 -0.63 0.00 0.00 43.02 42.97 2f73 s PHE 63 CO 0.02 -0.90 -0.16 0.99 -0.05 0.00 0.00 175.22 175.12 2f73 s THR 64 N -3.58 1.63 0.16 -4.49 2.01 -1.26 -0.55 115.64 109.56 2f73 s THR 64 Ca 0.07 -0.71 -0.34 0.00 0.31 0.00 0.00 61.69 61.02 2f73 s THR 64 Cb -0.03 -1.48 -0.15 0.00 0.01 0.00 0.00 72.50 70.85 2f73 s THR 64 CO -0.03 0.47 1.37 0.52 -0.69 0.00 0.00 174.62 176.26 2f73 n VAL 65 N 4.27 0.46 -0.05 3.82 0.31 -0.75 -1.67 118.33 124.72 2f73 n VAL 65 Ca -0.19 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2f73 n VAL 65 Cb 0.51 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 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 2.53 1.97 3.64 2.92 0.00 0.44 -5.01 105.19 111.67 2f73 n GLY 66 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.31 2.34 -0.15 1.61 2.02 -0.67 -4.95 118.70 118.59 2f73 s GLU 67 Ca 0.00 -0.97 -0.29 0.00 0.02 0.00 0.00 54.97 53.72 2f73 s GLU 67 Cb 0.00 -2.40 -0.01 0.00 0.10 0.00 0.00 34.13 31.82 2f73 s GLU 67 CO 0.00 0.51 1.13 -2.00 0.02 0.00 0.00 175.26 174.92 2f73 s GLU 68 N -2.40 4.30 0.33 1.61 2.12 -1.26 -4.02 118.70 119.39 2f73 s GLU 68 Ca 0.24 1.52 0.06 0.00 0.36 0.00 0.00 54.97 57.16 2f73 s GLU 68 Cb -0.11 -3.64 -0.07 0.00 0.26 0.00 0.00 34.13 30.58 2f73 s GLU 68 CO 0.16 -0.55 -0.01 0.00 -0.54 0.00 0.00 175.26 174.32 2f73 s GLU 70 N -3.75 3.88 0.15 0.00 2.12 -1.26 -0.79 118.70 119.04 2f73 s GLU 70 Ca 0.33 -0.37 0.10 0.00 0.36 0.00 0.00 54.97 55.39 2f73 s GLU 70 Cb 0.07 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 2f73 s GLU 70 CO 0.15 -0.06 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.12 2f73 s LEU 71 N 1.34 2.66 -0.34 2.70 1.43 0.22 -4.73 118.68 121.96 2f73 s LEU 71 Ca 0.06 -0.65 -0.20 0.00 -1.03 0.00 0.00 54.13 52.31 2f73 s LEU 71 Cb -0.15 -1.45 -0.00 0.00 0.03 0.00 0.00 46.19 44.62 2f73 s LEU 71 CO 0.06 0.15 0.63 -0.70 0.23 0.00 0.00 176.35 176.71 2f73 s GLU 72 N -2.39 3.74 1.07 1.70 2.12 -1.26 -1.46 118.70 122.21 2f73 s GLU 72 Ca 0.19 0.11 -0.13 0.00 0.36 0.00 0.00 54.97 55.51 2f73 s GLU 72 Cb -0.10 -3.79 0.23 0.00 0.26 0.00 0.00 34.13 30.74 2f73 s GLU 72 CO 0.11 -0.68 1.07 0.99 -0.54 0.00 0.00 175.26 176.20 2f73 s THR 73 N 2.66 2.06 0.24 -1.70 2.01 0.12 -4.86 115.64 116.17 2f73 s THR 73 Ca 0.24 0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.30 2f73 s THR 73 Cb -0.15 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 2f73 s THR 73 CO 0.14 -0.03 1.58 0.24 -0.69 0.00 0.00 174.62 175.86 2f73 h MET 74 N -2.20 0.30 0.00 4.92 0.00 -1.96 -0.85 114.93 115.14 2f73 h MET 74 Ca -0.57 -0.19 0.00 0.00 0.00 0.00 0.00 59.70 58.94 2f73 h MET 74 Cb 1.33 0.02 0.00 0.00 0.00 0.00 0.00 31.60 32.95 2f73 h MET 74 CO 0.54 0.77 0.00 0.25 0.00 0.00 0.00 176.91 178.48 2f73 n THR 75 N -3.92 1.05 0.00 2.22 -2.24 -1.26 -4.81 114.28 105.31 2f73 n THR 75 Ca -0.02 0.44 0.00 0.00 -2.27 0.00 0.00 64.05 62.19 2f73 n THR 75 Cb 0.59 -1.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 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 -0.61 1.98 3.79 3.38 0.00 -0.32 -5.07 105.19 108.34 2f73 n GLY 76 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.93 4.03 0.09 1.61 2.12 -1.26 -4.51 118.70 119.85 2f73 s GLU 77 Ca 0.00 1.48 -0.21 0.00 0.36 0.00 0.00 54.97 56.61 2f73 s GLU 77 Cb 0.00 -2.40 -0.07 0.00 0.26 0.00 0.00 34.13 31.92 2f73 s GLU 77 CO 0.00 -0.25 0.62 0.15 -0.54 0.00 0.00 175.26 175.23 2f73 s LYS 78 N -2.72 4.28 -0.06 4.30 1.02 -1.26 0.12 119.74 125.42 2f73 s LYS 78 Ca 0.61 0.83 -0.04 0.00 0.02 0.00 0.00 55.97 57.39 2f73 s LYS 78 Cb -0.21 -3.25 0.03 0.00 -0.52 0.00 0.00 37.83 33.88 2f73 s LYS 78 CO 0.26 0.62 0.14 0.14 -0.92 0.00 0.00 175.35 175.59 2f73 s VAL 79 N -1.09 -0.02 -0.24 3.17 -7.23 -0.54 -4.94 120.40 109.51 2f73 s VAL 79 Ca 0.30 0.08 -0.16 0.00 -1.81 0.00 0.00 61.98 60.40 2f73 s VAL 79 Cb -0.20 -0.22 -0.04 0.00 0.56 0.00 0.00 36.38 36.48 2f73 s VAL 79 CO 0.21 0.03 0.40 -0.54 -0.31 0.00 0.00 175.10 174.89 2f73 s LYS 80 N 0.58 4.10 0.19 4.82 1.02 -1.26 -0.61 119.74 128.58 2f73 s LYS 80 Ca -0.04 0.14 -0.11 0.00 0.02 0.00 0.00 55.97 55.99 2f73 s LYS 80 Cb -0.06 -3.60 -0.00 0.00 -0.52 0.00 0.00 37.83 33.65 2f73 s LYS 80 CO -0.03 -0.17 0.35 -0.08 -0.92 0.00 0.00 175.35 174.51 2f73 s THR 81 N 1.73 0.04 -0.19 2.17 -1.32 0.03 -4.91 115.64 113.19 2f73 s THR 81 Ca 0.17 -1.34 -0.02 0.00 -1.21 0.00 0.00 61.69 59.29 2f73 s THR 81 Cb -0.15 -1.93 -0.01 0.00 -1.51 0.00 0.00 72.50 68.90 2f73 s THR 81 CO 0.09 -0.18 -0.08 -0.69 -2.21 0.00 0.00 174.62 171.54 2f73 s VAL 82 N -3.98 3.19 -0.09 5.08 1.01 -1.26 0.11 120.40 124.47 2f73 s VAL 82 Ca 0.19 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.43 2f73 s VAL 82 Cb 0.02 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 2f73 s VAL 82 CO 0.02 0.47 0.44 -0.69 0.00 0.00 0.00 175.10 175.34 2f73 s VAL 83 N 1.10 5.14 0.35 2.92 1.01 -1.26 -4.64 120.40 125.02 2f73 s VAL 83 Ca 0.01 0.88 0.09 0.00 0.00 0.00 0.00 61.98 62.96 2f73 s VAL 83 Cb -0.15 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.40 2f73 s VAL 83 CO -0.02 0.41 -0.06 -1.58 0.00 0.00 0.00 175.10 173.85 2f73 s GLN 84 N 0.09 1.89 -0.06 2.72 2.00 0.55 -0.42 119.66 126.43 2f73 s GLN 84 Ca 0.24 -1.91 0.03 0.00 -2.00 0.00 0.00 55.36 51.72 2f73 s GLN 84 Cb -0.15 -1.75 -0.03 0.00 0.80 0.00 0.00 33.01 31.88 2f73 s GLN 84 CO 0.11 0.12 -0.12 -1.17 -0.50 0.00 0.00 175.29 173.73 2f73 s LEU 85 N -3.64 2.89 -0.12 3.68 2.96 -1.26 -0.26 118.68 122.93 2f73 s LEU 85 Ca 0.33 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 54.13 2f73 s LEU 85 Cb 0.02 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 45.12 2f73 s LEU 85 CO 0.17 0.35 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.76 2f73 s GLU 86 N -0.76 2.53 4.16 1.98 2.02 0.18 -4.94 118.70 123.87 2f73 s GLU 86 Ca 0.12 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.43 2f73 s GLU 86 Cb -0.11 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.03 2f73 s GLU 86 CO 0.01 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.67 2f73 n GLY 87 N 4.11 1.07 0.27 -1.39 0.00 -1.26 -1.85 105.19 106.14 2f73 n GLY 87 Ca -0.19 -0.68 0.03 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.07 2.07 -0.65 1.61 5.68 -1.26 -4.65 116.55 118.28 2f73 n ASP 88 Ca 0.00 -1.72 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 2f73 n ASP 88 Cb 0.00 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 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 0.09 0.09 -3.95 -1.12 6.94 -1.24 -0.71 115.26 115.36 2f73 n ASN 89 Ca 0.05 -1.82 -0.27 0.00 -0.02 0.00 0.00 54.58 52.52 2f73 n ASN 89 Cb 0.26 -0.16 -0.17 0.00 -2.36 0.00 0.00 39.78 37.35 2f73 n ASN 89 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2f73 s LYS 90 N 0.00 1.69 -0.20 -3.83 1.02 -0.77 -1.65 119.74 116.00 2f73 s LYS 90 Ca 0.04 -0.34 -0.06 0.00 0.02 0.00 0.00 55.97 55.63 2f73 s LYS 90 Cb 0.05 -1.63 -0.03 0.00 -0.52 0.00 0.00 37.83 35.70 2f73 s LYS 90 CO -0.02 -0.19 0.03 -0.51 -0.92 0.00 0.00 175.35 173.74 2f73 s LEU 91 N 1.42 3.45 -0.03 3.17 1.43 -0.25 0.49 118.68 128.36 2f73 s LEU 91 Ca 0.00 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 2f73 s LEU 91 Cb -0.13 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.21 2f73 s LEU 91 CO -0.06 0.09 -0.10 -0.69 0.23 0.00 0.00 176.35 175.82 2f73 s VAL 92 N 0.86 0.88 0.11 -1.59 1.01 0.64 -0.99 120.40 121.32 2f73 s VAL 92 Ca 0.02 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.38 2f73 s VAL 92 Cb -0.14 -0.78 0.05 0.00 0.00 0.00 0.00 36.38 35.51 2f73 s VAL 92 CO 0.02 0.27 0.51 0.28 0.00 0.00 0.00 175.10 176.18 2f73 s THR 93 N 0.18 0.03 -0.02 3.92 -1.32 -0.89 -0.33 115.64 117.21 2f73 s THR 93 Ca -0.03 -0.28 0.01 0.00 -1.21 0.00 0.00 61.69 60.18 2f73 s THR 93 Cb -0.09 -1.05 0.01 0.00 -1.51 0.00 0.00 72.50 69.86 2f73 s THR 93 CO 0.01 -0.15 -0.05 -0.89 -2.21 0.00 0.00 174.62 171.33 2f73 s THR 94 N -3.32 0.43 -0.11 5.08 2.01 -1.26 -0.14 115.64 118.33 2f73 s THR 94 Ca -0.00 -0.17 -0.29 0.00 0.31 0.00 0.00 61.69 61.54 2f73 s THR 94 Cb 0.00 -0.41 0.07 0.00 0.01 0.00 0.00 72.50 72.17 2f73 s THR 94 CO -0.09 0.16 0.71 0.72 -0.69 0.00 0.00 174.62 175.43 2f73 s PHE 95 N 0.30 -0.67 -1.51 4.92 -0.12 -0.83 -4.82 117.98 115.25 2f73 s PHE 95 Ca -0.03 1.29 -0.18 0.00 -0.05 0.00 0.00 56.93 57.96 2f73 s PHE 95 Cb -0.07 0.38 0.18 0.00 -0.63 0.00 0.00 43.02 42.88 2f73 s PHE 95 CO -0.00 -0.53 0.52 1.63 -0.05 0.00 0.00 175.22 176.78 2f73 n LYS 96 N 1.35 -1.57 -1.55 1.99 4.76 -1.26 0.39 118.16 122.27 2f73 n LYS 96 Ca -0.17 0.17 -0.14 0.00 -2.87 0.00 0.00 58.31 55.30 2f73 n LYS 96 Cb 0.57 -4.76 -0.05 0.00 -1.84 0.00 0.00 35.03 28.94 2f73 n LYS 96 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2f73 n ASN 97 N -2.31 -4.60 -4.40 4.39 4.13 -1.26 -5.02 115.26 106.19 2f73 n ASN 97 Ca 0.09 0.28 -0.34 0.00 1.68 0.00 0.00 54.58 56.28 2f73 n ASN 97 Cb 0.47 -3.40 -0.13 0.00 -1.54 0.00 0.00 39.78 35.18 2f73 n ASN 97 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2f73 s ILE 98 N -2.54 3.59 -0.41 2.41 1.01 0.16 -4.47 121.20 120.95 2f73 s ILE 98 Ca 0.00 -0.44 -0.18 0.00 0.00 0.00 0.00 60.65 60.03 2f73 s ILE 98 Cb 0.00 -2.60 0.02 0.00 0.01 0.00 0.00 42.46 39.89 2f73 s ILE 98 CO 0.00 0.45 0.46 -0.75 0.00 0.00 0.00 174.94 175.11 2f73 s LYS 99 N 0.94 3.23 -0.25 2.79 2.20 -0.81 -1.96 119.74 125.88 2f73 s LYS 99 Ca -0.00 -0.60 -0.10 0.00 -0.36 0.00 0.00 55.97 54.91 2f73 s LYS 99 Cb -0.15 -3.93 -0.05 0.00 -1.51 0.00 0.00 37.83 32.20 2f73 s LYS 99 CO 0.01 -0.81 0.15 0.45 -0.36 0.00 0.00 175.35 174.78 2f73 s SER 100 N 1.82 5.90 -0.14 1.43 0.15 0.80 -1.29 113.70 122.37 2f73 s SER 100 Ca 0.14 0.03 0.01 0.00 0.70 0.00 0.00 55.95 56.83 2f73 s SER 100 Cb -0.16 -2.07 0.02 0.00 -1.71 0.00 0.00 66.02 62.09 2f73 s SER 100 CO 0.14 0.03 -0.17 -0.69 1.20 0.00 0.00 173.24 173.75 2f73 s VAL 101 N 1.26 1.73 -0.25 4.45 1.01 0.13 -2.10 120.40 126.64 2f73 s VAL 101 Ca 0.07 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 2f73 s VAL 101 Cb -0.14 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.68 2f73 s VAL 101 CO 0.06 0.49 -0.03 -0.89 0.00 0.00 0.00 175.10 174.73 2f73 s THR 102 N 1.18 3.18 -0.01 3.92 2.01 -0.16 -0.33 115.64 125.44 2f73 s THR 102 Ca -0.01 -0.87 0.07 0.00 0.31 0.00 0.00 61.69 61.19 2f73 s THR 102 Cb -0.14 -2.59 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 2f73 s THR 102 CO -0.07 0.21 -0.22 -0.70 -0.69 0.00 0.00 174.62 173.15 2f73 s GLU 103 N 1.39 2.15 -0.18 4.92 2.12 0.30 -1.09 118.70 128.30 2f73 s GLU 103 Ca 0.02 -0.91 0.01 0.00 0.36 0.00 0.00 54.97 54.44 2f73 s GLU 103 Cb -0.16 -2.13 0.03 0.00 0.26 0.00 0.00 34.13 32.12 2f73 s GLU 103 CO -0.03 0.56 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.95 2f73 s LEU 104 N -0.87 2.09 -0.22 2.70 1.98 -0.66 0.18 118.68 123.88 2f73 s LEU 104 Ca 0.11 -0.71 -0.01 0.00 -2.89 0.00 0.00 54.13 50.63 2f73 s LEU 104 Cb -0.10 -1.28 0.06 0.00 0.66 0.00 0.00 46.19 45.53 2f73 s LEU 104 CO 0.01 -0.08 -0.01 0.20 -1.89 0.00 0.00 176.35 174.57 2f73 s ASN 105 N 1.39 3.47 1.31 3.68 0.01 -0.66 -4.75 114.94 119.40 2f73 s ASN 105 Ca 0.02 -1.04 0.00 0.00 -0.71 0.00 0.00 52.86 51.13 2f73 s ASN 105 Cb -0.14 -0.94 0.00 0.00 0.41 0.00 0.00 41.25 40.58 2f73 s ASN 105 CO -0.10 -0.27 0.00 0.61 -1.51 0.00 0.00 177.10 175.83 2f73 n GLY 106 N 4.83 1.56 0.90 0.66 0.00 -1.26 -2.02 105.19 109.85 2f73 n GLY 106 Ca -0.11 -0.48 0.08 0.00 0.00 0.00 0.00 46.02 45.51 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 6.79 3.33 -4.45 1.61 8.00 -1.26 -4.93 116.55 125.65 2f73 n ASP 107 Ca 0.00 -2.04 -0.36 0.00 0.71 0.00 0.00 54.79 53.10 2f73 n ASP 107 Cb 0.00 -0.33 -0.12 0.00 -0.02 0.00 0.00 41.12 40.64 2f73 n ASP 107 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2f73 s ILE 108 N -1.08 4.11 -0.18 0.53 1.01 -0.86 -1.35 121.20 123.38 2f73 s ILE 108 Ca 0.33 -0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.66 2f73 s ILE 108 Cb 0.18 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 2f73 s ILE 108 CO 0.21 0.39 0.04 -0.51 0.00 0.00 0.00 174.94 175.07 2f73 s ILE 109 N 1.24 4.54 -0.21 2.92 2.07 -0.18 -1.65 121.20 129.93 2f73 s ILE 109 Ca 0.04 -0.12 0.02 0.00 -1.41 0.00 0.00 60.65 59.18 2f73 s ILE 109 Cb -0.15 -3.04 0.04 0.00 0.13 0.00 0.00 42.46 39.44 2f73 s ILE 109 CO 0.02 0.46 -0.16 -0.89 -1.91 0.00 0.00 174.94 172.46 2f73 s THR 110 N 0.45 2.09 -0.25 4.00 2.01 0.13 -0.48 115.64 123.60 2f73 s THR 110 Ca 0.01 -1.22 -0.05 0.00 0.31 0.00 0.00 61.69 60.74 2f73 s THR 110 Cb -0.13 -2.02 -0.00 0.00 0.01 0.00 0.00 72.50 70.35 2f73 s THR 110 CO 0.01 0.30 0.01 0.21 -0.69 0.00 0.00 174.62 174.46 2f73 s ASN 111 N 1.22 4.66 -0.09 3.53 2.47 0.77 -0.54 114.94 126.96 2f73 s ASN 111 Ca -0.01 -0.48 0.03 0.00 0.42 0.00 0.00 52.86 52.82 2f73 s ASN 111 Cb -0.16 -1.80 -0.01 0.00 -1.45 0.00 0.00 41.25 37.83 2f73 s ASN 111 CO -0.10 -0.08 -0.18 -0.89 -3.72 0.00 0.00 177.10 172.14 2f73 s THR 112 N 1.49 2.64 -0.15 -5.21 2.01 0.55 -0.89 115.64 116.08 2f73 s THR 112 Ca 0.05 -0.84 -0.00 0.00 0.31 0.00 0.00 61.69 61.20 2f73 s THR 112 Cb -0.15 -2.04 0.04 0.00 0.01 0.00 0.00 72.50 70.35 2f73 s THR 112 CO -0.01 0.56 -0.07 -0.04 -0.69 0.00 0.00 174.62 174.38 2f73 s MET 113 N -0.04 1.51 -0.24 4.92 -1.94 -0.21 0.23 119.30 123.52 2f73 s MET 113 Ca -0.05 -0.44 -0.06 0.00 -1.71 0.00 0.00 55.69 53.44 2f73 s MET 113 Cb -0.14 -1.88 -0.01 0.00 2.01 0.00 0.00 34.83 34.80 2f73 s MET 113 CO 0.04 -0.37 0.02 0.99 -0.01 0.00 0.00 175.02 175.70 2f73 s THR 114 N 1.65 3.85 -0.38 2.05 2.01 -0.41 -1.76 115.64 122.64 2f73 s THR 114 Ca 0.02 -0.39 0.04 0.00 0.31 0.00 0.00 61.69 61.66 2f73 s THR 114 Cb -0.14 -2.81 0.11 0.00 0.01 0.00 0.00 72.50 69.66 2f73 s THR 114 CO -0.08 0.33 0.11 -0.22 -0.69 0.00 0.00 174.62 174.07 2f73 s LEU 115 N 1.54 4.42 0.00 4.42 2.96 -0.76 -1.92 118.68 129.34 2f73 s LEU 115 Ca 0.05 -2.34 0.00 0.00 -0.22 0.00 0.00 54.13 51.62 2f73 s LEU 115 Cb -0.15 -1.56 0.00 0.00 0.50 0.00 0.00 46.19 44.98 2f73 s LEU 115 CO 0.00 -0.34 0.00 0.61 -1.32 0.00 0.00 176.35 175.30 2f73 n GLY 116 N 3.99 2.86 0.57 7.98 0.00 -1.26 -2.26 105.19 117.08 2f73 n GLY 116 Ca 0.04 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 9.37 2.18 -4.50 1.61 8.00 -1.26 -4.89 116.55 127.05 2f73 n ASP 117 Ca 0.00 -1.59 -0.43 0.00 0.71 0.00 0.00 54.79 53.48 2f73 n ASP 117 Cb 0.00 0.38 -0.04 0.00 -0.02 0.00 0.00 41.12 41.44 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 -2.32 4.42 -0.90 0.53 1.01 -0.96 -4.99 121.20 118.00 2f73 s ILE 118 Ca 0.20 0.09 -0.16 0.00 0.00 0.00 0.00 60.65 60.77 2f73 s ILE 118 Cb 0.18 -4.55 0.18 0.00 0.01 0.00 0.00 42.46 38.28 2f73 s ILE 118 CO 0.50 -1.16 0.97 -0.69 0.00 0.00 0.00 174.94 174.57 2f73 s VAL 119 N 3.86 5.17 -0.16 2.92 1.01 -1.26 -1.83 120.40 130.10 2f73 s VAL 119 Ca 0.27 -2.05 -0.29 0.00 0.00 0.00 0.00 61.98 59.91 2f73 s VAL 119 Cb -0.14 -4.64 -0.01 0.00 0.00 0.00 0.00 36.38 31.60 2f73 s VAL 119 CO 0.17 -1.29 1.09 0.12 0.00 0.00 0.00 175.10 175.19 2f73 s PHE 120 N 1.42 3.30 0.02 5.22 5.99 -0.72 -4.60 117.98 128.61 2f73 s PHE 120 Ca 0.26 1.40 0.05 0.00 0.00 0.00 0.00 56.93 58.65 2f73 s PHE 120 Cb -0.07 -3.30 -0.02 0.00 0.00 0.00 0.00 43.02 39.63 2f73 s PHE 120 CO -0.09 -0.70 -0.16 0.21 -0.00 0.00 0.00 175.22 174.47 2f73 s LYS 121 N 2.74 1.16 -0.03 10.12 2.20 -0.27 -1.05 119.74 134.61 2f73 s LYS 121 Ca 0.49 -0.74 0.02 0.00 -0.36 0.00 0.00 55.97 55.37 2f73 s LYS 121 Cb -0.18 -1.18 0.01 0.00 -1.51 0.00 0.00 37.83 34.96 2f73 s LYS 121 CO 0.13 0.31 -0.06 1.03 -0.36 0.00 0.00 175.35 176.40 2f73 s ARG 122 N -0.89 0.77 -0.16 4.03 0.52 -0.07 -0.53 118.95 122.62 2f73 s ARG 122 Ca 0.05 -0.17 0.01 0.00 -0.52 0.00 0.00 55.73 55.09 2f73 s ARG 122 Cb -0.07 -0.75 0.01 0.00 0.52 0.00 0.00 34.95 34.65 2f73 s ARG 122 CO 0.01 0.01 -0.18 0.42 0.02 0.00 0.00 175.30 175.58 2f73 s ILE 123 N 0.49 2.39 0.13 1.52 1.01 -0.22 -0.16 121.20 126.36 2f73 s ILE 123 Ca -0.07 -0.86 0.08 0.00 0.00 0.00 0.00 60.65 59.80 2f73 s ILE 123 Cb -0.10 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 2f73 s ILE 123 CO 0.00 0.53 -0.18 -0.44 0.00 0.00 0.00 174.94 174.85 2f73 s SER 124 N 0.92 2.45 0.05 3.58 0.01 0.37 -0.61 113.70 120.47 2f73 s SER 124 Ca -0.04 -0.78 0.09 0.00 1.31 0.00 0.00 55.95 56.54 2f73 s SER 124 Cb -0.15 -0.13 -0.03 0.00 0.21 0.00 0.00 66.02 65.92 2f73 s SER 124 CO -0.03 -0.03 -0.26 -0.75 0.41 0.00 0.00 173.24 172.59 2f73 s LYS 125 N -2.40 1.76 0.28 12.44 2.20 0.06 -1.01 119.74 133.07 2f73 s LYS 125 Ca 0.10 -1.11 -0.29 0.00 -0.36 0.00 0.00 55.97 54.31 2f73 s LYS 125 Cb -0.07 -1.94 -0.10 0.00 -1.51 0.00 0.00 37.83 34.21 2f73 s LYS 125 CO 0.05 0.50 1.23 0.50 -0.36 0.00 0.00 175.35 177.27 2f73 s ARG 126 N -1.26 4.46 0.00 4.03 3.52 -0.46 0.71 118.95 129.95 2f73 s ARG 126 Ca 0.12 2.04 0.03 0.00 -0.13 0.00 0.00 55.73 57.78 2f73 s ARG 126 Cb -0.10 -3.14 0.02 0.00 -1.56 0.00 0.00 34.95 30.18 2f73 s ARG 126 CO 0.02 -0.06 0.60 0.44 -0.81 0.00 0.00 175.30 175.49