#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gdl h TYR 6 N 0.00 1.17 -0.75 4.78 0.05 -1.99 -1.85 116.97 118.38 3gdl h TYR 6 Ca 0.00 -0.18 -0.03 0.00 0.05 0.00 0.00 58.73 58.57 3gdl h TYR 6 Cb 0.00 -0.31 -0.03 0.00 1.01 0.00 0.00 36.73 37.39 3gdl h TYR 6 CO 0.00 1.00 0.34 -0.22 -1.05 0.00 0.00 178.16 178.23 3gdl h LYS 7 N 1.01 1.08 -0.33 4.88 3.64 -1.97 -1.72 116.57 123.16 3gdl h LYS 7 Ca 0.19 -0.16 -0.14 0.00 -1.27 0.00 0.00 60.65 59.27 3gdl h LYS 7 Cb 0.49 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3gdl h LYS 7 CO 0.02 0.85 -0.34 0.93 -2.27 0.00 0.00 179.45 178.63 3gdl h GLU 8 N 1.07 0.82 0.00 1.90 5.08 -1.92 -3.05 114.58 118.48 3gdl h GLU 8 Ca 0.26 -0.44 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 3gdl h GLU 8 Cb 0.14 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3gdl h GLU 8 CO -0.03 1.07 -0.24 0.00 -1.00 0.00 0.00 179.01 178.81 3gdl h ARG 9 N 0.60 0.00 -0.13 2.33 3.08 -1.08 -2.35 114.38 116.84 3gdl h ARG 9 Ca 0.05 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 3gdl h ARG 9 Cb 0.93 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 3gdl h ARG 9 CO 0.08 0.24 -0.14 0.00 -1.07 0.00 0.00 179.97 179.08 3gdl h ALA 10 N 1.76 1.52 0.00 0.04 0.00 -1.20 -0.53 119.26 120.85 3gdl h ALA 10 Ca -0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3gdl h ALA 10 Cb 0.50 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3gdl h ALA 10 CO 0.03 0.34 -0.28 0.00 0.00 0.00 0.00 179.25 179.34 3gdl h ALA 11 N 1.66 0.84 -0.00 0.00 0.00 -1.47 -3.35 119.26 116.94 3gdl h ALA 11 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3gdl h ALA 11 Cb 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3gdl h ALA 11 CO 0.02 0.27 -0.42 0.25 0.00 0.00 0.00 179.25 179.37 3gdl n THR 12 N -3.13 0.00 -2.50 0.00 -2.24 -1.01 -5.00 114.28 100.41 3gdl n THR 12 Ca 0.03 -0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 61.10 3gdl n THR 12 Cb 0.62 1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 69.88 3gdl n THR 12 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3gdl s HIS 13 N -1.87 3.53 0.43 4.78 2.46 -0.24 -4.92 115.29 119.45 3gdl s HIS 13 Ca 0.07 1.46 0.35 0.00 0.47 0.00 0.00 55.06 57.41 3gdl s HIS 13 Cb 0.09 -3.32 1.79 0.00 -0.13 0.00 0.00 32.58 31.01 3gdl s HIS 13 CO 0.41 -0.85 2.16 -1.00 -2.47 0.00 0.00 174.74 172.99 3gdl h PRO 14 N 6.23 0.00 -5.58 2.88 0.13 -1.91 -3.43 132.00 130.32 3gdl h PRO 14 Ca -0.42 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.11 3gdl h PRO 14 Cb 1.21 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.25 3gdl h PRO 14 CO 0.77 0.04 -0.09 0.45 -0.23 0.00 0.00 178.00 178.94 3gdl s SER 15 N -5.70 6.58 0.52 1.44 0.15 -1.26 -4.74 113.70 110.69 3gdl s SER 15 Ca -0.03 0.69 0.31 0.00 0.70 0.00 0.00 55.95 57.63 3gdl s SER 15 Cb 0.12 -2.28 1.24 0.00 -1.71 0.00 0.00 66.02 63.39 3gdl s SER 15 CO 0.51 -0.11 1.94 1.55 1.20 0.00 0.00 173.24 178.33 3gdl h PRO 16 N 7.23 0.00 -0.02 5.44 0.13 -1.83 -0.48 132.00 142.47 3gdl h PRO 16 Ca -0.36 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.65 3gdl h PRO 16 Cb 1.16 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.30 3gdl h PRO 16 CO 0.74 0.05 -0.45 0.28 -0.23 0.00 0.00 178.00 178.39 3gdl h VAL 17 N 0.00 1.45 -0.64 1.56 2.07 -1.91 -1.82 116.25 116.97 3gdl h VAL 17 Ca -0.00 -1.97 -0.05 0.00 0.82 0.00 0.00 66.70 65.51 3gdl h VAL 17 Cb 0.57 2.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.89 3gdl h VAL 17 CO 0.01 0.56 0.21 0.00 0.02 0.00 0.00 177.57 178.37 3gdl h ALA 18 N 0.33 0.83 -0.41 1.67 0.00 -1.91 -1.50 119.26 118.28 3gdl h ALA 18 Ca -0.05 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.69 3gdl h ALA 18 Cb 1.16 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3gdl h ALA 18 CO 0.09 0.49 0.21 0.00 0.00 0.00 0.00 179.25 180.04 3gdl h ALA 19 N 1.08 0.51 -0.70 0.00 0.00 -1.09 0.27 119.26 119.32 3gdl h ALA 19 Ca 0.21 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 3gdl h ALA 19 Cb 0.28 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3gdl h ALA 19 CO -0.01 -0.14 0.25 0.87 0.00 0.00 0.00 179.25 180.21 3gdl h LYS 20 N 0.43 1.07 -0.38 0.00 1.79 -1.09 -1.98 116.57 116.42 3gdl h LYS 20 Ca 0.17 -0.22 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 3gdl h LYS 20 Cb 0.07 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.54 3gdl h LYS 20 CO -0.11 0.91 0.19 1.25 -1.08 0.00 0.00 179.45 180.60 3gdl h LEU 21 N 1.02 0.49 -0.79 2.94 5.85 -0.71 -0.76 115.31 123.34 3gdl h LEU 21 Ca 0.23 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3gdl h LEU 21 Cb 0.26 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 3gdl h LEU 21 CO -0.01 0.47 0.49 -0.26 -0.34 0.00 0.00 178.44 178.79 3gdl h PHE 22 N 0.47 1.03 -0.69 1.25 0.04 -0.77 -0.57 116.94 117.70 3gdl h PHE 22 Ca 0.13 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.86 3gdl h PHE 22 Cb 0.10 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 37.88 3gdl h PHE 22 CO -0.02 0.68 0.25 -0.91 -0.60 0.00 0.00 178.31 177.71 3gdl h ASN 23 N 1.09 0.96 -0.54 2.17 -0.26 -1.04 -1.49 115.58 116.46 3gdl h ASN 23 Ca 0.29 -0.15 -0.05 0.00 -0.56 0.00 0.00 56.30 55.82 3gdl h ASN 23 Cb -0.07 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 36.92 3gdl h ASN 23 CO -0.06 0.87 0.14 0.40 -1.06 0.00 0.00 177.43 177.73 3gdl h ILE 24 N 1.01 1.24 -0.71 2.81 2.04 -0.45 -0.34 117.51 123.11 3gdl h ILE 24 Ca 0.23 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 3gdl h ILE 24 Cb 0.23 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 3gdl h ILE 24 CO -0.02 0.31 0.41 0.24 0.00 0.00 0.00 178.15 179.10 3gdl h MET 25 N 0.76 0.98 -0.10 2.37 2.86 -0.75 -0.98 114.93 120.07 3gdl h MET 25 Ca 0.17 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 3gdl h MET 25 Cb 0.33 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 3gdl h MET 25 CO 0.00 0.71 -0.04 1.25 1.06 0.00 0.00 176.91 179.89 3gdl h HIS 26 N 0.97 0.23 -0.57 -0.22 -0.00 -1.05 0.49 115.15 115.00 3gdl h HIS 26 Ca 0.25 -0.05 -0.04 0.00 -0.00 0.00 0.00 60.37 60.53 3gdl h HIS 26 Cb 0.00 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 27.33 3gdl h HIS 26 CO -0.01 0.54 0.19 0.93 -0.00 0.00 0.00 177.93 179.59 3gdl h GLU 27 N -0.15 0.84 -0.03 5.26 5.08 -0.92 -3.04 114.58 121.61 3gdl h GLU 27 Ca 0.02 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3gdl h GLU 27 Cb 0.48 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3gdl h GLU 27 CO 0.01 0.72 -0.09 1.63 -1.00 0.00 0.00 179.01 180.28 3gdl n LYS 28 N -4.31 2.02 -3.64 2.33 5.02 -0.38 -4.99 118.16 114.20 3gdl n LYS 28 Ca 0.05 -1.70 -0.27 0.00 -2.02 0.00 0.00 58.31 54.37 3gdl n LYS 28 Cb 0.19 -1.44 0.04 0.00 -0.02 0.00 0.00 35.03 33.80 3gdl n LYS 28 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3gdl n GLN 29 N 1.04 -2.21 -3.69 1.97 6.02 0.10 -5.00 117.38 115.60 3gdl n GLN 29 Ca 0.13 0.55 -0.14 0.00 -0.01 0.00 0.00 57.00 57.53 3gdl n GLN 29 Cb 0.55 -4.62 -0.09 0.00 1.02 0.00 0.00 30.24 27.11 3gdl n GLN 29 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3gdl s THR 30 N -3.53 0.00 -0.11 5.09 -1.32 -0.81 -4.83 115.64 110.13 3gdl s THR 30 Ca 0.35 -0.02 0.14 0.00 -1.21 0.00 0.00 61.69 60.95 3gdl s THR 30 Cb -0.11 -0.73 0.30 0.00 -1.51 0.00 0.00 72.50 70.45 3gdl s THR 30 CO 0.84 -0.01 1.15 -0.46 -2.21 0.00 0.00 174.62 173.92 3gdl n ASN 31 N 2.65 1.53 -4.73 8.08 0.23 -1.26 -4.33 115.26 117.43 3gdl n ASN 31 Ca -0.14 -2.99 -0.38 0.00 -0.53 0.00 0.00 54.58 50.54 3gdl n ASN 31 Cb 0.56 -0.40 -0.06 0.00 -2.08 0.00 0.00 39.78 37.80 3gdl n ASN 31 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 3gdl s LEU 32 N -2.05 4.28 -0.18 -4.53 2.96 -1.26 -1.26 118.68 116.64 3gdl s LEU 32 Ca 0.29 0.80 -0.01 0.00 -0.22 0.00 0.00 54.13 54.99 3gdl s LEU 32 Cb 0.28 -2.67 0.01 0.00 0.50 0.00 0.00 46.19 44.31 3gdl s LEU 32 CO -0.04 0.02 -0.14 0.00 -1.32 0.00 0.00 176.35 174.87 3gdl s ALA 34 N 1.19 3.58 -0.74 0.00 0.00 -0.94 -1.36 121.76 123.50 3gdl s ALA 34 Ca 0.02 -0.13 0.04 0.00 0.00 0.00 0.00 51.96 51.89 3gdl s ALA 34 Cb -0.14 -2.56 0.18 0.00 0.00 0.00 0.00 23.12 20.59 3gdl s ALA 34 CO -0.06 0.28 0.54 0.45 0.00 0.00 0.00 175.76 176.97 3gdl s SER 35 N -0.44 5.03 -1.36 0.00 0.15 -0.38 -0.85 113.70 115.84 3gdl s SER 35 Ca 0.26 -3.86 -0.13 0.00 0.70 0.00 0.00 55.95 52.93 3gdl s SER 35 Cb -0.17 -1.68 0.10 0.00 -1.71 0.00 0.00 66.02 62.55 3gdl s SER 35 CO 0.14 -0.10 1.99 0.18 1.20 0.00 0.00 173.24 176.65 3gdl n LEU 36 N 2.00 6.43 -3.96 3.45 4.77 -1.25 -4.19 117.00 124.24 3gdl n LEU 36 Ca 0.20 -4.30 -0.41 0.00 -0.03 0.00 0.00 56.01 51.47 3gdl n LEU 36 Cb 0.35 -1.61 -0.02 0.00 -2.33 0.00 0.00 43.42 39.81 3gdl n LEU 36 CO 0.28 1.05 2.26 0.47 -1.33 0.00 0.00 177.39 180.12 3gdl n ASP 37 N 5.62 3.62 -4.71 -1.43 8.00 -1.26 -4.90 116.55 121.48 3gdl n ASP 37 Ca 0.46 -2.80 -0.23 0.00 0.71 0.00 0.00 54.79 52.93 3gdl n ASP 37 Cb 0.39 -1.54 -0.07 0.00 -0.02 0.00 0.00 41.12 39.89 3gdl n ASP 37 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3gdl s VAL 38 N 4.78 2.95 -2.12 2.53 -7.23 -1.26 -5.06 120.40 114.99 3gdl s VAL 38 Ca 0.54 -1.75 0.25 0.00 -1.81 0.00 0.00 61.98 59.21 3gdl s VAL 38 Cb 0.11 -2.94 0.20 0.00 0.56 0.00 0.00 36.38 34.30 3gdl s VAL 38 CO 0.03 -0.19 1.38 0.54 -0.31 0.00 0.00 175.10 176.55 3gdl n ARG 39 N -1.11 1.28 -4.94 4.82 1.74 -1.26 -4.57 116.66 112.62 3gdl n ARG 39 Ca -0.03 -0.93 -0.27 0.00 -0.77 0.00 0.00 57.85 55.86 3gdl n ARG 39 Cb 0.61 -1.48 -0.15 0.00 -1.02 0.00 0.00 32.46 30.42 3gdl n ARG 39 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3gdl s THR 40 N -2.36 1.62 0.31 0.55 -4.23 -1.26 -0.67 115.64 109.60 3gdl s THR 40 Ca 0.25 -0.93 0.02 0.00 -1.18 0.00 0.00 61.69 59.84 3gdl s THR 40 Cb 0.19 -1.36 0.28 0.00 1.34 0.00 0.00 72.50 72.95 3gdl s THR 40 CO 0.49 0.41 1.92 0.74 -0.54 0.00 0.00 174.62 177.63 3gdl h THR 41 N 4.58 1.05 0.05 3.99 2.02 -1.91 -1.36 112.91 121.33 3gdl h THR 41 Ca -0.40 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 66.46 3gdl h THR 41 Cb 1.14 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3gdl h THR 41 CO 0.47 0.18 -0.12 0.50 0.37 0.00 0.00 175.52 176.92 3gdl h LYS 42 N 0.98 -0.22 -0.61 6.66 3.64 -1.95 -0.06 116.57 125.01 3gdl h LYS 42 Ca 0.38 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.68 3gdl h LYS 42 Cb 0.23 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 3gdl h LYS 42 CO -0.14 -0.15 -0.01 1.49 -2.27 0.00 0.00 179.45 178.37 3gdl h GLU 43 N -0.23 1.08 -0.23 1.90 4.81 -1.91 -2.40 114.58 117.62 3gdl h GLU 43 Ca 0.03 -0.35 0.03 0.00 -0.13 0.00 0.00 59.36 58.94 3gdl h GLU 43 Cb 0.25 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 3gdl h GLU 43 CO -0.08 1.06 0.02 1.25 -0.73 0.00 0.00 179.01 180.52 3gdl h LEU 44 N 0.99 -0.04 -1.34 1.64 5.85 -0.93 -0.68 115.31 120.79 3gdl h LEU 44 Ca 0.17 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 3gdl h LEU 44 Cb 0.57 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 3gdl h LEU 44 CO 0.03 0.01 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.03 3gdl h LEU 45 N 0.10 0.37 -0.25 2.25 3.38 -0.89 0.19 115.31 120.46 3gdl h LEU 45 Ca 0.11 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3gdl h LEU 45 Cb 0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3gdl h LEU 45 CO -0.16 0.46 -0.05 -0.33 0.09 0.00 0.00 178.44 178.46 3gdl h GLU 46 N 0.38 0.47 -0.49 1.13 5.08 -0.89 -2.03 114.58 118.23 3gdl h GLU 46 Ca 0.08 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 3gdl h GLU 46 Cb 0.32 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3gdl h GLU 46 CO 0.01 0.68 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.60 3gdl h LEU 47 N 0.21 0.87 -0.98 1.33 3.38 -0.77 -2.19 115.31 117.17 3gdl h LEU 47 Ca 0.06 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 3gdl h LEU 47 Cb 0.50 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3gdl h LEU 47 CO 0.02 0.99 0.38 0.58 0.09 0.00 0.00 178.44 180.50 3gdl h VAL 48 N 0.74 1.24 -0.60 1.22 2.07 -0.95 -0.45 116.25 119.52 3gdl h VAL 48 Ca 0.13 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 3gdl h VAL 48 Cb 0.56 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3gdl h VAL 48 CO 0.03 0.29 0.35 -0.08 0.02 0.00 0.00 177.57 178.18 3gdl h GLU 49 N 1.10 0.82 -0.04 1.57 4.57 -1.16 0.37 114.58 121.80 3gdl h GLU 49 Ca 0.27 -0.08 -0.11 0.00 -1.18 0.00 0.00 59.36 58.25 3gdl h GLU 49 Cb 0.10 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 3gdl h GLU 49 CO -0.04 0.60 -0.49 0.00 -1.18 0.00 0.00 179.01 177.90 3gdl h ALA 50 N 1.17 1.10 0.00 2.92 0.00 -0.76 -3.23 119.26 120.46 3gdl h ALA 50 Ca 0.21 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3gdl h ALA 50 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3gdl h ALA 50 CO -0.04 0.63 -1.33 1.28 0.00 0.00 0.00 179.25 179.80 3gdl n LEU 51 N -3.95 0.65 -0.29 0.00 7.99 -0.24 -4.62 117.00 116.54 3gdl n LEU 51 Ca -0.02 0.26 -0.06 0.00 -0.01 0.00 0.00 56.01 56.19 3gdl n LEU 51 Cb 0.52 -0.01 -0.04 0.00 -0.11 0.00 0.00 43.42 43.78 3gdl n LEU 51 CO 0.42 -0.07 0.36 0.61 -1.51 0.00 0.00 177.39 177.20 3gdl n GLY 52 N 1.25 -1.74 0.30 -0.72 0.00 0.13 -0.54 105.19 103.87 3gdl n GLY 52 Ca -0.04 0.83 0.15 0.00 0.00 0.00 0.00 46.02 46.97 3gdl n GLY 52 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gdl h PRO 53 N 0.00 0.00 -0.02 1.61 0.11 -1.82 -3.11 132.00 128.77 3gdl h PRO 53 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3gdl h PRO 53 Cb 0.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.44 3gdl h PRO 53 CO -0.68 0.02 -0.15 1.63 -0.21 0.00 0.00 178.00 178.61 3gdl n LYS 54 N -3.73 1.93 -4.38 1.05 4.76 0.30 -5.00 118.16 113.09 3gdl n LYS 54 Ca -0.03 -1.60 -0.25 0.00 -2.87 0.00 0.00 58.31 53.57 3gdl n LYS 54 Cb 0.11 -1.46 -0.09 0.00 -1.84 0.00 0.00 35.03 31.75 3gdl n LYS 54 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3gdl s ILE 55 N -2.12 2.89 -0.24 -0.18 -4.36 -1.08 -4.61 121.20 111.50 3gdl s ILE 55 Ca 0.24 -2.08 0.15 0.00 -0.26 0.00 0.00 60.65 58.70 3gdl s ILE 55 Cb 0.19 -2.50 -0.20 0.00 1.25 0.00 0.00 42.46 41.20 3gdl s ILE 55 CO 0.38 -0.31 0.42 0.00 0.24 0.00 0.00 174.94 175.68 3gdl s LEU 57 N -3.57 -0.05 -0.23 0.00 2.96 -1.24 -2.38 118.68 114.18 3gdl s LEU 57 Ca -0.02 0.98 -0.04 0.00 -0.22 0.00 0.00 54.13 54.83 3gdl s LEU 57 Cb 0.10 1.87 0.00 0.00 0.50 0.00 0.00 46.19 48.66 3gdl s LEU 57 CO 0.60 -0.25 -0.04 -0.22 -1.32 0.00 0.00 176.35 175.13 3gdl s LEU 58 N 0.02 2.99 -0.20 -0.68 2.96 -0.31 -2.20 118.68 121.26 3gdl s LEU 58 Ca -0.02 -0.51 -0.13 0.00 -0.22 0.00 0.00 54.13 53.25 3gdl s LEU 58 Cb -0.04 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 3gdl s LEU 58 CO 0.02 -0.05 0.28 -0.75 -1.32 0.00 0.00 176.35 174.53 3gdl s LYS 59 N 1.45 4.16 0.20 1.98 2.20 -0.03 -0.84 119.74 128.85 3gdl s LYS 59 Ca 0.05 0.01 0.11 0.00 -0.36 0.00 0.00 55.97 55.77 3gdl s LYS 59 Cb -0.15 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.62 3gdl s LYS 59 CO -0.03 0.07 -0.23 0.95 -0.36 0.00 0.00 175.35 175.75 3gdl s THR 60 N 1.00 2.27 -0.58 3.43 -4.23 0.50 -3.95 115.64 114.08 3gdl s THR 60 Ca 0.14 -2.05 0.04 0.00 -1.18 0.00 0.00 61.69 58.64 3gdl s THR 60 Cb -0.14 -2.09 0.16 0.00 1.34 0.00 0.00 72.50 71.77 3gdl s THR 60 CO 0.05 -0.18 0.39 -1.00 -0.54 0.00 0.00 174.62 173.34 3gdl s HIS 61 N -1.83 2.79 -0.08 3.99 3.76 -1.26 -0.66 115.29 122.01 3gdl s HIS 61 Ca 0.21 -2.98 0.29 0.00 -0.15 0.00 0.00 55.06 52.43 3gdl s HIS 61 Cb -0.07 -2.26 1.37 0.00 1.11 0.00 0.00 32.58 32.73 3gdl s HIS 61 CO 0.10 -0.67 1.88 -0.39 -0.85 0.00 0.00 174.74 174.81 3gdl h VAL 62 N 4.75 0.00 -0.14 -0.90 -1.51 -1.97 -2.64 116.25 113.84 3gdl h VAL 62 Ca 0.11 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 3gdl h VAL 62 Cb 0.83 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 3gdl h VAL 62 CO 0.61 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.05 3gdl n ASP 63 N -2.59 1.61 -0.24 4.19 5.75 -1.26 -2.45 116.55 121.55 3gdl n ASP 63 Ca -0.00 -2.13 0.03 0.00 -0.01 0.00 0.00 54.79 52.68 3gdl n ASP 63 Cb 0.17 -0.38 0.03 0.00 -1.03 0.00 0.00 41.12 39.91 3gdl n ASP 63 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 3gdl n ILE 64 N 0.08 0.23 -2.87 2.12 -5.35 -1.00 -4.99 119.36 107.59 3gdl n ILE 64 Ca 0.06 -0.62 -0.41 0.00 -0.27 0.00 0.00 62.75 61.51 3gdl n ILE 64 Cb 0.34 0.97 -0.04 0.00 -1.74 0.00 0.00 39.64 39.17 3gdl n ILE 64 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3gdl s LEU 65 N -0.58 4.22 0.51 7.28 1.43 -1.03 -4.38 118.68 126.13 3gdl s LEU 65 Ca 0.08 1.26 0.30 0.00 -1.03 0.00 0.00 54.13 54.73 3gdl s LEU 65 Cb 0.05 -3.28 1.05 0.00 0.03 0.00 0.00 46.19 44.04 3gdl s LEU 65 CO 0.07 -0.36 1.87 0.00 0.23 0.00 0.00 176.35 178.16 3gdl h THR 66 N 5.10 0.09 -0.61 5.49 1.03 -1.24 -3.31 112.91 119.46 3gdl h THR 66 Ca -0.32 -0.73 -0.42 0.00 -0.01 0.00 0.00 66.41 64.93 3gdl h THR 66 Cb 1.15 1.67 -0.41 0.00 -1.07 0.00 0.00 68.15 69.49 3gdl h THR 66 CO 0.82 0.04 -0.94 -0.90 -0.01 0.00 0.00 175.52 174.53 3gdl n ASP 67 N -3.13 3.51 -4.76 0.00 5.68 -1.26 -5.09 116.55 111.50 3gdl n ASP 67 Ca 0.01 -3.04 -0.39 0.00 -0.50 0.00 0.00 54.79 50.87 3gdl n ASP 67 Cb 0.38 -0.40 0.03 0.00 -1.14 0.00 0.00 41.12 39.99 3gdl n ASP 67 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 3gdl s PHE 68 N -3.65 2.36 -0.12 2.11 5.36 -1.25 -4.81 117.98 117.99 3gdl s PHE 68 Ca 0.41 1.33 -0.30 0.00 -0.96 0.00 0.00 56.93 57.41 3gdl s PHE 68 Cb 0.37 -3.84 0.09 0.00 -0.34 0.00 0.00 43.02 39.29 3gdl s PHE 68 CO 0.00 -2.90 0.78 -1.54 -1.46 0.00 0.00 175.22 170.10 3gdl s SER 69 N -0.77 -0.60 0.09 6.13 1.04 -1.26 -4.98 113.70 113.34 3gdl s SER 69 Ca 0.67 0.76 -0.21 0.00 0.48 0.00 0.00 55.95 57.65 3gdl s SER 69 Cb -0.42 0.64 -0.11 0.00 0.10 0.00 0.00 66.02 66.23 3gdl s SER 69 CO 0.51 -0.47 1.66 0.24 0.98 0.00 0.00 173.24 176.16 3gdl h MET 70 N 3.26 0.17 -0.14 4.02 0.00 -1.95 0.13 114.93 120.41 3gdl h MET 70 Ca -0.25 -0.02 -0.16 0.00 0.00 0.00 0.00 59.70 59.26 3gdl h MET 70 Cb 1.15 -0.03 -0.01 0.00 0.00 0.00 0.00 31.60 32.71 3gdl h MET 70 CO 0.31 0.22 -0.58 0.93 0.00 0.00 0.00 176.91 177.79 3gdl h GLU 71 N 0.08 0.46 0.00 1.72 4.39 -1.97 -0.57 114.58 118.69 3gdl h GLU 71 Ca 0.04 -0.30 -0.02 0.00 0.34 0.00 0.00 59.36 59.42 3gdl h GLU 71 Cb 0.11 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3gdl h GLU 71 CO -0.01 0.91 -1.30 0.41 -1.16 0.00 0.00 179.01 177.86 3gdl n GLY 72 N 0.28 -1.32 0.67 -3.84 0.00 -1.20 -4.26 105.19 95.51 3gdl n GLY 72 Ca -0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 46.02 45.66 3gdl n GLY 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gdl n THR 73 N -2.60 1.34 0.01 2.61 -1.04 0.43 -4.62 114.28 110.41 3gdl n THR 73 Ca -0.03 0.30 -0.12 0.00 -2.04 0.00 0.00 64.05 62.17 3gdl n THR 73 Cb 0.59 -1.89 -0.07 0.00 -1.82 0.00 0.00 70.33 67.14 3gdl n THR 73 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3gdl h VAL 74 N -0.40 1.12 -0.38 12.58 2.07 -1.29 -1.74 116.25 128.22 3gdl h VAL 74 Ca 0.00 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 67.24 3gdl h VAL 74 Cb 0.40 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 3gdl h VAL 74 CO 0.00 0.09 0.01 0.11 0.02 0.00 0.00 177.57 177.81 3gdl h LYS 75 N -0.08 0.11 -0.67 1.57 1.79 -1.29 0.56 116.57 118.56 3gdl h LYS 75 Ca 0.01 -0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.43 3gdl h LYS 75 Cb 0.14 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.73 3gdl h LYS 75 CO -0.00 0.07 0.24 -1.35 -1.08 0.00 0.00 179.45 177.33 3gdl h PRO 76 N 0.12 1.00 -0.59 3.15 0.11 -1.75 -1.65 132.00 132.40 3gdl h PRO 76 Ca 0.18 -0.18 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3gdl h PRO 76 Cb 0.25 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.18 3gdl h PRO 76 CO -0.30 0.84 0.24 -0.07 -0.21 0.00 0.00 178.00 178.50 3gdl h LEU 77 N 0.98 0.80 -0.88 2.35 3.38 -0.44 -0.94 115.31 120.56 3gdl h LEU 77 Ca 0.22 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3gdl h LEU 77 Cb 0.23 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3gdl h LEU 77 CO -0.01 0.75 0.20 0.11 0.09 0.00 0.00 178.44 179.57 3gdl h LYS 78 N 0.81 1.02 -0.61 1.13 1.79 -0.61 0.11 116.57 120.20 3gdl h LYS 78 Ca 0.20 -0.21 -0.07 0.00 -2.18 0.00 0.00 60.65 58.39 3gdl h LYS 78 Cb 0.19 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 3gdl h LYS 78 CO -0.02 0.88 0.13 0.00 -1.08 0.00 0.00 179.45 179.36 3gdl h ALA 79 N 1.23 0.81 -0.47 3.86 0.00 -0.88 -1.24 119.26 122.56 3gdl h ALA 79 Ca 0.22 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3gdl h ALA 79 Cb 0.29 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3gdl h ALA 79 CO -0.01 0.54 -0.14 -0.07 0.00 0.00 0.00 179.25 179.57 3gdl h LEU 80 N 0.90 0.90 -0.80 0.00 3.38 -0.87 0.57 115.31 119.38 3gdl h LEU 80 Ca 0.19 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.90 3gdl h LEU 80 Cb 0.39 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3gdl h LEU 80 CO 0.01 1.04 0.51 -1.28 0.09 0.00 0.00 178.44 178.80 3gdl h SER 81 N 0.79 0.84 0.30 -0.43 0.87 -0.59 0.52 113.55 115.86 3gdl h SER 81 Ca 0.12 -0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.41 3gdl h SER 81 Cb 0.67 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.46 3gdl h SER 81 CO 0.05 0.58 -1.13 0.00 -0.53 0.00 0.00 176.83 175.80 3gdl h ALA 82 N 1.34 0.15 -0.26 6.23 0.00 -1.00 -0.88 119.26 124.84 3gdl h ALA 82 Ca 0.32 -0.77 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 3gdl h ALA 82 Cb 0.02 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3gdl h ALA 82 CO -0.12 0.79 0.03 -0.22 0.00 0.00 0.00 179.25 179.73 3gdl h LYS 83 N 0.22 0.44 -0.01 0.00 3.64 -0.54 -3.29 116.57 117.04 3gdl h LYS 83 Ca -0.14 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 3gdl h LYS 83 Cb 1.80 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.57 3gdl h LYS 83 CO 0.20 0.58 -0.61 0.66 -2.27 0.00 0.00 179.45 178.02 3gdl n TYR 84 N -4.65 0.00 -2.61 1.91 4.01 0.14 -5.04 117.16 110.93 3gdl n TYR 84 Ca -0.03 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.70 3gdl n TYR 84 Cb 0.22 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 3gdl n TYR 84 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3gdl n ASN 85 N -0.44 -6.26 -3.80 7.72 5.15 -0.38 -4.71 115.26 112.55 3gdl n ASN 85 Ca 0.08 0.04 -0.10 0.00 -0.60 0.00 0.00 54.58 54.00 3gdl n ASN 85 Cb 0.43 -4.16 -0.07 0.00 -0.53 0.00 0.00 39.78 35.44 3gdl n ASN 85 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 3gdl s PHE 86 N -2.83 0.01 0.45 1.20 -0.12 -0.93 -4.83 117.98 110.93 3gdl s PHE 86 Ca 0.04 -0.30 0.03 0.00 -0.05 0.00 0.00 56.93 56.65 3gdl s PHE 86 Cb -0.01 0.03 0.01 0.00 -0.63 0.00 0.00 43.02 42.42 3gdl s PHE 86 CO 0.55 -0.53 0.64 -0.51 -0.05 0.00 0.00 175.22 175.32 3gdl s LEU 87 N -2.45 3.63 -0.15 -1.99 1.43 -1.00 -4.67 118.68 113.48 3gdl s LEU 87 Ca -0.00 -0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.06 3gdl s LEU 87 Cb 0.02 -2.91 -0.02 0.00 0.03 0.00 0.00 46.19 43.30 3gdl s LEU 87 CO -0.07 -0.77 -0.06 -0.76 0.23 0.00 0.00 176.35 174.92 3gdl s LEU 88 N -4.49 3.11 -0.27 1.79 1.43 -1.26 -1.16 118.68 117.83 3gdl s LEU 88 Ca 0.51 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 3gdl s LEU 88 Cb -0.10 -1.74 0.08 0.00 0.03 0.00 0.00 46.19 44.46 3gdl s LEU 88 CO 0.36 0.17 -0.01 0.12 0.23 0.00 0.00 176.35 177.22 3gdl s PHE 89 N 0.35 2.59 -0.36 0.29 5.36 -0.02 -1.14 117.98 125.04 3gdl s PHE 89 Ca -0.06 -2.03 -0.23 0.00 -0.96 0.00 0.00 56.93 53.65 3gdl s PHE 89 Cb -0.15 -1.90 0.01 0.00 -0.34 0.00 0.00 43.02 40.65 3gdl s PHE 89 CO 0.04 -0.83 0.77 -2.00 -1.46 0.00 0.00 175.22 171.73 3gdl s GLU 90 N 1.32 3.74 -1.45 10.12 2.56 -0.53 -0.37 118.70 134.09 3gdl s GLU 90 Ca 0.00 0.28 -0.08 0.00 0.00 0.00 0.00 54.97 55.17 3gdl s GLU 90 Cb -0.19 -3.81 0.04 0.00 2.00 0.00 0.00 34.13 32.17 3gdl s GLU 90 CO -0.10 -0.84 2.54 -3.47 -0.56 0.00 0.00 175.26 172.84 3gdl n ASP 91 N 6.37 7.65 0.14 -1.70 2.03 0.16 -4.05 116.55 127.16 3gdl n ASP 91 Ca 0.02 -2.89 0.13 0.00 0.52 0.00 0.00 54.79 52.57 3gdl n ASP 91 Cb 0.48 -1.48 0.31 0.00 -0.72 0.00 0.00 41.12 39.72 3gdl n ASP 91 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3gdl h ARG 92 N 5.00 0.00 -6.43 -0.67 9.65 -1.85 -3.46 114.38 116.62 3gdl h ARG 92 Ca 0.73 0.00 -0.48 0.00 -1.10 0.00 0.00 59.98 59.13 3gdl h ARG 92 Cb 0.36 0.00 0.04 0.00 -1.39 0.00 0.00 29.97 28.98 3gdl h ARG 92 CO 1.65 0.00 -0.95 1.63 2.80 0.00 0.00 179.97 185.11 3gdl n LYS 93 N -2.55 -1.40 -1.63 0.20 5.02 -1.25 -4.84 118.16 111.72 3gdl n LYS 93 Ca 0.05 0.36 -0.45 0.00 -2.02 0.00 0.00 58.31 56.26 3gdl n LYS 93 Cb 0.47 -3.87 -0.02 0.00 -0.02 0.00 0.00 35.03 31.59 3gdl n LYS 93 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3gdl n PHE 94 N -4.41 1.65 -2.69 2.13 3.72 -0.86 -4.60 117.46 112.40 3gdl n PHE 94 Ca -0.14 0.63 -0.03 0.00 -0.05 0.00 0.00 57.45 57.85 3gdl n PHE 94 Cb 0.60 -2.32 0.12 0.00 -0.94 0.00 0.00 39.48 36.94 3gdl n PHE 94 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gdl n ALA 95 N 0.64 2.49 -2.47 4.37 0.00 -1.26 -0.78 120.51 123.50 3gdl n ALA 95 Ca 0.09 -1.28 -0.23 0.00 0.00 0.00 0.00 53.44 52.02 3gdl n ALA 95 Cb 0.32 -0.87 -0.09 0.00 0.00 0.00 0.00 19.45 18.81 3gdl n ALA 95 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gdl s ASP 96 N -1.43 2.46 0.77 0.00 -1.08 -1.26 -4.87 116.67 111.26 3gdl s ASP 96 Ca 0.14 -1.58 -0.14 0.00 -0.52 0.00 0.00 52.55 50.45 3gdl s ASP 96 Cb 0.43 0.34 0.06 0.00 -1.46 0.00 0.00 42.92 42.29 3gdl s ASP 96 CO -0.11 -0.84 1.21 0.27 0.52 0.00 0.00 175.17 176.22 3gdl s ILE 97 N -3.31 2.13 0.26 4.11 -4.36 -1.26 -4.62 121.20 114.16 3gdl s ILE 97 Ca 0.29 0.06 -0.03 0.00 -0.26 0.00 0.00 60.65 60.70 3gdl s ILE 97 Cb 0.05 -2.56 0.30 0.00 1.25 0.00 0.00 42.46 41.49 3gdl s ILE 97 CO 0.15 -0.04 1.63 1.23 0.24 0.00 0.00 174.94 178.16 3gdl h GLY 98 N -0.62 1.05 1.04 6.27 0.00 -1.91 -1.37 103.07 107.53 3gdl h GLY 98 Ca -0.47 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 3gdl h GLY 98 CO 0.48 -0.33 0.34 -0.57 0.00 0.00 0.00 176.54 176.46 3gdl h ASN 99 N 0.14 1.07 -0.25 0.19 -0.73 -1.90 -1.90 115.58 112.19 3gdl h ASN 99 Ca 0.47 -0.16 -0.11 0.00 1.87 0.00 0.00 56.30 58.38 3gdl h ASN 99 Cb 0.89 -0.28 -0.00 0.00 0.27 0.00 0.00 38.32 39.20 3gdl h ASN 99 CO -0.68 0.93 -0.26 0.74 -0.37 0.00 0.00 177.43 177.80 3gdl h THR 100 N 1.13 1.31 -0.06 -3.57 2.02 -1.63 -3.03 112.91 109.08 3gdl h THR 100 Ca 0.27 -1.42 -0.08 0.00 0.77 0.00 0.00 66.41 65.94 3gdl h THR 100 Cb 0.18 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 3gdl h THR 100 CO -0.03 0.45 -0.34 -0.37 0.37 0.00 0.00 175.52 175.61 3gdl h VAL 101 N 0.33 1.26 -0.63 3.16 -1.51 -1.25 -0.32 116.25 117.30 3gdl h VAL 101 Ca 0.04 -1.25 0.03 0.00 -1.23 0.00 0.00 66.70 64.28 3gdl h VAL 101 Cb 0.82 1.59 -0.04 0.00 -2.13 0.00 0.00 31.29 31.53 3gdl h VAL 101 CO 0.06 0.37 0.39 0.50 -1.23 0.00 0.00 177.57 177.66 3gdl h LYS 102 N 0.11 0.75 -0.34 5.19 3.64 -1.29 0.16 116.57 124.79 3gdl h LYS 102 Ca 0.01 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.21 3gdl h LYS 102 Cb 0.65 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3gdl h LYS 102 CO 0.05 0.50 -0.31 -0.07 -2.27 0.00 0.00 179.45 177.34 3gdl h LEU 103 N 0.77 0.87 -1.03 5.20 3.38 -1.29 -1.99 115.31 121.22 3gdl h LEU 103 Ca 0.25 -0.46 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 3gdl h LEU 103 Cb 0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3gdl h LEU 103 CO -0.10 1.15 -0.41 1.56 0.09 0.00 0.00 178.44 180.73 3gdl h GLN 104 N 0.60 0.15 0.18 1.13 4.20 -0.57 -2.81 115.11 117.99 3gdl h GLN 104 Ca 0.06 -0.07 -0.34 0.00 0.06 0.00 0.00 58.65 58.36 3gdl h GLN 104 Cb 0.89 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.68 3gdl h GLN 104 CO 0.08 0.54 -1.67 -0.92 -0.67 0.00 0.00 178.83 176.19 3gdl h TYR 105 N 0.13 0.68 0.04 2.96 3.20 -0.71 -3.39 116.97 119.88 3gdl h TYR 105 Ca 0.01 -0.50 -0.22 0.00 3.14 0.00 0.00 58.73 61.16 3gdl h TYR 105 Cb 0.78 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 3gdl h TYR 105 CO 0.01 1.59 -0.99 0.66 -1.64 0.00 0.00 178.16 177.79 3gdl h SER 106 N 0.10 0.28 0.00 -2.11 4.64 -1.40 0.15 113.55 115.22 3gdl h SER 106 Ca -0.31 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 3gdl h SER 106 Cb 2.09 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 64.09 3gdl h SER 106 CO 0.18 1.11 0.00 0.00 -0.87 0.00 0.00 176.83 177.26 3gdl n ALA 107 N -2.47 0.00 -0.86 5.18 0.00 -1.06 -4.63 120.51 116.67 3gdl n ALA 107 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3gdl n ALA 107 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.33 3gdl n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gdl n GLY 108 N 0.13 1.16 0.11 0.00 0.00 -1.26 -0.46 105.19 104.87 3gdl n GLY 108 Ca 0.00 -0.63 -0.16 0.00 0.00 0.00 0.00 46.02 45.23 3gdl n GLY 108 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gdl h VAL 109 N 0.00 0.83 0.00 1.61 2.07 -1.97 -3.38 116.25 115.40 3gdl h VAL 109 Ca 0.00 -2.57 -0.11 0.00 0.82 0.00 0.00 66.70 64.84 3gdl h VAL 109 Cb 0.00 2.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 3gdl h VAL 109 CO 0.00 0.75 -0.52 1.88 0.02 0.00 0.00 177.57 179.70 3gdl h TYR 110 N 0.05 0.00 -6.91 1.57 0.05 -1.93 -3.45 116.97 106.35 3gdl h TYR 110 Ca -0.33 0.00 -0.58 0.00 0.05 0.00 0.00 58.73 57.87 3gdl h TYR 110 Cb 2.02 0.00 -0.21 0.00 1.01 0.00 0.00 36.73 39.56 3gdl h TYR 110 CO 0.05 0.52 -0.91 0.54 -1.05 0.00 0.00 178.16 177.30 3gdl n ARG 111 N -3.35 -1.87 -0.21 4.88 1.74 0.39 -4.82 116.66 113.41 3gdl n ARG 111 Ca 0.01 0.23 0.02 0.00 -0.77 0.00 0.00 57.85 57.33 3gdl n ARG 111 Cb 0.68 -4.30 0.11 0.00 -1.02 0.00 0.00 32.46 27.93 3gdl n ARG 111 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3gdl h ILE 112 N -1.58 0.48 -0.02 0.55 2.04 -1.75 -1.03 117.51 116.20 3gdl h ILE 112 Ca -0.63 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.19 3gdl h ILE 112 Cb 1.39 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3gdl h ILE 112 CO 0.74 0.02 0.06 0.00 0.00 0.00 0.00 178.15 178.97 3gdl h ALA 113 N 1.58 1.24 0.00 1.87 0.00 -1.22 -1.15 119.26 121.58 3gdl h ALA 113 Ca 0.34 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 3gdl h ALA 113 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3gdl h ALA 113 CO -0.54 -0.07 -0.43 0.93 0.00 0.00 0.00 179.25 179.14 3gdl h GLU 114 N 0.00 0.00 0.00 0.00 5.08 -1.45 -3.40 114.58 114.81 3gdl h GLU 114 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3gdl h GLU 114 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3gdl h GLU 114 CO -0.00 0.43 -0.59 -2.67 -1.00 0.00 0.00 179.01 175.18 3gdl n TRP 115 N -3.51 0.00 -2.70 4.33 4.27 -0.84 -5.04 117.44 113.94 3gdl n TRP 115 Ca -0.00 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.18 3gdl n TRP 115 Cb 0.56 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.49 3gdl n TRP 115 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3gdl s ALA 116 N -1.36 3.67 0.24 -1.67 0.00 -0.49 -4.85 121.76 117.30 3gdl s ALA 116 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 51.96 52.03 3gdl s ALA 116 Cb 0.00 -3.51 0.28 0.00 0.00 0.00 0.00 23.12 19.89 3gdl s ALA 116 CO 0.00 -1.06 1.75 -0.44 0.00 0.00 0.00 175.76 176.02 3gdl h ASP 117 N 7.53 0.86 -4.43 0.00 3.32 -1.47 -3.45 116.42 118.79 3gdl h ASP 117 Ca -0.20 -0.19 -0.38 0.00 0.02 0.00 0.00 57.03 56.28 3gdl h ASP 117 Cb 1.07 -0.23 -0.23 0.00 0.22 0.00 0.00 39.33 40.15 3gdl h ASP 117 CO 0.96 0.88 -0.77 -0.63 -1.72 0.00 0.00 179.24 177.97 3gdl s ILE 118 N -5.11 0.90 0.35 0.35 1.01 -0.48 -1.13 121.20 117.08 3gdl s ILE 118 Ca -0.10 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.54 3gdl s ILE 118 Cb 0.15 -0.86 -0.00 0.00 0.01 0.00 0.00 42.46 41.76 3gdl s ILE 118 CO 0.82 -0.14 0.42 1.07 0.00 0.00 0.00 174.94 177.12 3gdl n THR 119 N 1.74 0.00 -4.17 2.92 5.66 -0.89 -1.46 114.28 118.08 3gdl n THR 119 Ca -0.19 -2.01 -0.12 0.00 -3.05 0.00 0.00 64.05 58.68 3gdl n THR 119 Cb 0.55 1.15 -0.09 0.00 -1.55 0.00 0.00 70.33 70.38 3gdl n THR 119 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3gdl s ASN 120 N -3.24 0.13 -0.01 1.09 4.22 -1.26 -1.23 114.94 114.64 3gdl s ASN 120 Ca 0.33 -1.32 -0.19 0.00 -2.14 0.00 0.00 52.86 49.54 3gdl s ASN 120 Cb -0.00 0.40 0.04 0.00 1.28 0.00 0.00 41.25 42.96 3gdl s ASN 120 CO 0.23 -0.87 0.41 0.00 -2.04 0.00 0.00 177.10 174.84 3gdl s ALA 121 N -4.14 -1.04 0.30 3.54 0.00 -0.51 -2.03 121.76 117.88 3gdl s ALA 121 Ca 0.36 0.55 -0.19 0.00 0.00 0.00 0.00 51.96 52.69 3gdl s ALA 121 Cb 0.06 0.10 -0.09 0.00 0.00 0.00 0.00 23.12 23.19 3gdl s ALA 121 CO 0.11 -0.31 0.78 -1.01 0.00 0.00 0.00 175.76 175.33 3gdl s HIS 122 N -1.46 3.50 -0.67 0.00 3.76 0.04 -1.27 115.29 119.19 3gdl s HIS 122 Ca -0.12 1.39 0.25 0.00 -0.15 0.00 0.00 55.06 56.44 3gdl s HIS 122 Cb -0.03 -2.65 0.69 0.00 1.11 0.00 0.00 32.58 31.70 3gdl s HIS 122 CO 0.05 0.17 1.72 0.78 -0.85 0.00 0.00 174.74 176.60 3gdl h GLY 123 N 2.74 0.00 -0.85 -2.22 0.00 -1.90 -3.36 103.07 97.47 3gdl h GLY 123 Ca -0.48 0.00 0.39 0.00 0.00 0.00 0.00 47.33 47.25 3gdl h GLY 123 CO 0.65 0.00 0.86 -0.24 0.00 0.00 0.00 176.54 177.81 3gdl h VAL 124 N 0.00 0.25 -0.00 4.60 3.04 -1.93 -1.05 116.25 121.15 3gdl h VAL 124 Ca 0.00 -0.05 -0.13 0.00 -1.01 0.00 0.00 66.70 65.51 3gdl h VAL 124 Cb 0.79 0.09 -0.02 0.00 -2.01 0.00 0.00 31.29 30.14 3gdl h VAL 124 CO 0.00 0.03 -0.61 0.58 -1.01 0.00 0.00 177.57 176.56 3gdl h VAL 125 N 0.14 1.44 0.00 1.51 2.07 -1.90 -3.50 116.25 116.01 3gdl h VAL 125 Ca 0.74 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 66.18 3gdl h VAL 125 Cb 2.38 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 34.27 3gdl h VAL 125 CO -0.30 0.60 0.00 0.61 0.02 0.00 0.00 177.57 178.50 3gdl n GLY 126 N 0.22 0.94 0.34 2.17 0.00 -0.40 -4.69 105.19 103.77 3gdl n GLY 126 Ca -0.01 -2.19 0.20 0.00 0.00 0.00 0.00 46.02 44.02 3gdl n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gdl h PRO 127 N 0.00 0.00 0.00 1.61 0.13 -1.94 -2.71 132.00 129.09 3gdl h PRO 127 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 3gdl h PRO 127 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 3gdl h PRO 127 CO 0.00 0.00 -0.06 0.78 -0.23 0.00 0.00 178.00 178.49 3gdl h GLY 128 N 0.00 0.00 1.58 1.56 0.00 -1.99 -2.33 103.07 101.90 3gdl h GLY 128 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.23 3gdl h GLY 128 CO -0.00 0.00 -0.30 1.19 0.00 0.00 0.00 176.54 177.43 3gdl h ILE 129 N 0.00 1.28 -0.19 2.60 2.10 -1.77 -0.32 117.51 121.21 3gdl h ILE 129 Ca -0.00 -1.37 -0.10 0.00 1.08 0.00 0.00 64.86 64.47 3gdl h ILE 129 Cb 0.17 1.43 -0.00 0.00 -1.09 0.00 0.00 36.82 37.32 3gdl h ILE 129 CO 0.01 0.43 -0.29 0.58 -1.08 0.00 0.00 178.15 177.80 3gdl h VAL 130 N 0.42 1.34 -0.58 2.19 2.07 -1.64 -2.22 116.25 117.83 3gdl h VAL 130 Ca 0.05 -1.50 -0.00 0.00 0.82 0.00 0.00 66.70 66.07 3gdl h VAL 130 Cb 0.74 1.85 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 3gdl h VAL 130 CO 0.06 0.46 0.36 0.28 0.02 0.00 0.00 177.57 178.74 3gdl h SER 131 N 0.19 0.69 -0.52 0.57 0.02 -1.38 -0.76 113.55 112.35 3gdl h SER 131 Ca 0.02 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 3gdl h SER 131 Cb 0.86 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 3gdl h SER 131 CO 0.07 0.53 0.13 1.23 -1.14 0.00 0.00 176.83 177.65 3gdl h GLY 132 N 0.78 0.90 1.24 -3.77 0.00 -1.05 -1.48 103.07 99.70 3gdl h GLY 132 Ca 0.21 -0.56 -0.14 0.00 0.00 0.00 0.00 47.33 46.84 3gdl h GLY 132 CO -0.04 0.52 -0.32 1.41 0.00 0.00 0.00 176.54 178.11 3gdl h LEU 133 N 0.73 0.88 -0.57 3.11 3.38 -1.19 -2.03 115.31 119.63 3gdl h LEU 133 Ca 0.16 -0.37 -0.12 0.00 0.09 0.00 0.00 57.88 57.64 3gdl h LEU 133 Cb 0.33 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3gdl h LEU 133 CO 0.00 1.13 -0.19 0.50 0.09 0.00 0.00 178.44 179.97 3gdl h LYS 134 N 0.71 0.94 -0.75 1.13 3.64 -1.03 -1.37 116.57 119.85 3gdl h LYS 134 Ca 0.07 -0.38 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 3gdl h LYS 134 Cb 0.88 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 3gdl h LYS 134 CO 0.08 1.05 0.36 0.37 -2.27 0.00 0.00 179.45 179.03 3gdl h GLN 135 N 0.82 1.09 -0.39 1.90 4.15 -1.18 -1.70 115.11 119.81 3gdl h GLN 135 Ca 0.11 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 3gdl h GLN 135 Cb 0.75 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 3gdl h GLN 135 CO 0.06 0.86 0.18 0.00 -1.93 0.00 0.00 178.83 177.99 3gdl h ALA 136 N 1.18 0.50 -0.48 3.38 0.00 -1.11 -2.12 119.26 120.61 3gdl h ALA 136 Ca 0.26 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3gdl h ALA 136 Cb 0.13 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3gdl h ALA 136 CO -0.03 0.08 0.26 0.00 0.00 0.00 0.00 179.25 179.55 3gdl h ALA 137 N 1.02 0.61 0.00 0.00 0.00 -0.85 -2.45 119.26 117.59 3gdl h ALA 137 Ca 0.13 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3gdl h ALA 137 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3gdl h ALA 137 CO -0.01 -0.08 -0.36 0.93 0.00 0.00 0.00 179.25 179.73 3gdl h GLU 138 N 0.51 0.00 0.00 0.00 5.08 -1.18 -1.27 114.58 117.72 3gdl h GLU 138 Ca 0.20 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 3gdl h GLU 138 Cb 0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3gdl h GLU 138 CO -0.12 0.36 -0.27 0.93 -1.00 0.00 0.00 179.01 178.90 3gdl h GLU 139 N 0.00 0.00 0.01 2.33 5.08 -1.11 -3.37 114.58 117.53 3gdl h GLU 139 Ca -0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 3gdl h GLU 139 Cb 0.86 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.05 3gdl h GLU 139 CO 0.05 0.18 -2.32 0.28 -1.00 0.00 0.00 179.01 176.20 3gdl n VAL 140 N -3.11 1.49 -3.80 3.13 0.31 -0.95 -5.05 118.33 110.36 3gdl n VAL 140 Ca 0.03 -0.72 -0.10 0.00 -0.01 0.00 0.00 64.34 63.54 3gdl n VAL 140 Cb 0.61 -1.03 -0.07 0.00 -0.91 0.00 0.00 33.84 32.45 3gdl n VAL 140 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3gdl s THR 141 N -2.52 0.12 -1.21 2.52 -1.32 -0.49 -4.94 115.64 107.79 3gdl s THR 141 Ca -0.21 -0.96 0.23 0.00 -1.21 0.00 0.00 61.69 59.54 3gdl s THR 141 Cb 0.07 -1.21 -0.11 0.00 -1.51 0.00 0.00 72.50 69.75 3gdl s THR 141 CO 0.73 -0.53 1.09 0.29 -2.21 0.00 0.00 174.62 173.99 3gdl n LYS 142 N 0.06 0.24 -2.22 7.08 4.01 -1.26 -4.35 118.16 121.73 3gdl n LYS 142 Ca -0.16 -0.19 -0.39 0.00 -0.51 0.00 0.00 58.31 57.07 3gdl n LYS 142 Cb 0.62 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.63 3gdl n LYS 142 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 3gdl s GLU 143 N -2.89 4.04 0.48 1.97 0.41 -1.26 -4.97 118.70 116.48 3gdl s GLU 143 Ca 0.11 1.95 -0.23 0.00 -0.41 0.00 0.00 54.97 56.39 3gdl s GLU 143 Cb 0.17 -2.72 -0.07 0.00 -1.78 0.00 0.00 34.13 29.74 3gdl s GLU 143 CO 0.76 -0.37 1.29 -1.25 -0.49 0.00 0.00 175.26 175.21 3gdl s PRO 144 N -2.25 3.54 0.05 0.39 0.04 -1.26 -5.00 135.00 130.50 3gdl s PRO 144 Ca 0.57 2.09 0.04 0.00 0.04 0.00 0.00 61.00 63.74 3gdl s PRO 144 Cb -0.33 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 31.75 3gdl s PRO 144 CO 0.42 -0.83 -0.11 1.03 0.04 0.00 0.00 177.00 177.55 3gdl s ARG 145 N -2.67 0.68 0.09 4.56 1.81 -1.26 -4.87 118.95 117.29 3gdl s ARG 145 Ca 0.65 -0.84 0.07 0.00 -1.72 0.00 0.00 55.73 53.89 3gdl s ARG 145 Cb -0.37 -0.58 -0.03 0.00 -0.45 0.00 0.00 34.95 33.52 3gdl s ARG 145 CO 0.45 0.12 -0.17 0.20 -0.68 0.00 0.00 175.30 175.22 3gdl s GLY 146 N -1.60 1.06 -0.02 -3.53 0.00 -0.29 -4.78 107.32 98.17 3gdl s GLY 146 Ca -0.05 -1.15 0.05 0.00 0.00 0.00 0.00 44.72 43.57 3gdl s GLY 146 CO 0.01 -1.17 -0.17 -2.27 0.00 0.00 0.00 173.10 169.50 3gdl s LEU 147 N -1.92 2.03 -0.08 0.66 2.96 0.14 -2.10 118.68 120.37 3gdl s LEU 147 Ca 0.03 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 3gdl s LEU 147 Cb -0.09 -0.90 -0.02 0.00 0.50 0.00 0.00 46.19 45.68 3gdl s LEU 147 CO 0.03 0.21 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.35 3gdl s LEU 148 N -0.38 2.55 0.00 -0.68 1.43 -0.36 -1.24 118.68 119.99 3gdl s LEU 148 Ca 0.06 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.76 3gdl s LEU 148 Cb -0.07 -1.52 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 3gdl s LEU 148 CO -0.01 0.26 0.28 -0.04 0.23 0.00 0.00 176.35 177.07 3gdl s MET 149 N -0.22 3.61 -0.82 1.70 -1.94 -0.79 -1.42 119.30 119.43 3gdl s MET 149 Ca -0.00 -0.01 -0.22 0.00 -1.71 0.00 0.00 55.69 53.75 3gdl s MET 149 Cb -0.13 -3.09 0.08 0.00 2.01 0.00 0.00 34.83 33.70 3gdl s MET 149 CO 0.03 0.66 1.13 -0.51 -0.01 0.00 0.00 175.02 176.32 3gdl s LEU 150 N -1.64 4.35 0.04 -0.03 1.43 -0.39 -1.26 118.68 121.17 3gdl s LEU 150 Ca 0.26 -1.38 -0.06 0.00 -1.03 0.00 0.00 54.13 51.92 3gdl s LEU 150 Cb -0.13 -2.45 -0.30 0.00 0.03 0.00 0.00 46.19 43.34 3gdl s LEU 150 CO 0.15 -1.36 1.01 0.00 0.23 0.00 0.00 176.35 176.37 3gdl h ALA 151 N 9.40 0.11 -2.51 4.21 0.00 -1.66 -3.40 119.26 125.40 3gdl h ALA 151 Ca -0.05 -0.96 -0.10 0.00 0.00 0.00 0.00 54.91 53.80 3gdl h ALA 151 Cb 1.04 0.14 -0.15 0.00 0.00 0.00 0.00 17.79 18.82 3gdl h ALA 151 CO 1.21 0.98 -0.41 -1.21 0.00 0.00 0.00 179.25 179.81 3gdl s GLU 152 N -2.63 0.76 0.15 0.00 2.02 -1.10 -4.59 118.70 113.32 3gdl s GLU 152 Ca -0.07 -0.87 0.08 0.00 0.02 0.00 0.00 54.97 54.13 3gdl s GLU 152 Cb 0.06 0.31 -0.04 0.00 0.10 0.00 0.00 34.13 34.56 3gdl s GLU 152 CO 0.88 -0.22 -0.17 -0.51 0.02 0.00 0.00 175.26 175.26 3gdl s LEU 153 N -2.58 2.43 0.00 1.80 1.43 -1.26 -4.32 118.68 116.18 3gdl s LEU 153 Ca 0.01 -0.85 0.26 0.00 -1.03 0.00 0.00 54.13 52.52 3gdl s LEU 153 Cb 0.03 -0.76 0.65 0.00 0.03 0.00 0.00 46.19 46.14 3gdl s LEU 153 CO -0.08 -0.06 1.50 -1.54 0.23 0.00 0.00 176.35 176.39 3gdl n SER 154 N 0.34 0.94 -4.81 2.29 3.41 -1.26 -4.91 113.62 109.62 3gdl n SER 154 Ca -0.14 -0.77 -0.33 0.00 -0.26 0.00 0.00 58.87 57.37 3gdl n SER 154 Cb 0.57 0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 64.67 3gdl n SER 154 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gdl s LYS 156 N -3.36 4.22 0.00 0.00 2.20 0.35 -2.38 119.74 120.77 3gdl s LYS 156 Ca 0.65 2.37 0.00 0.00 -0.36 0.00 0.00 55.97 58.63 3gdl s LYS 156 Cb -0.14 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 3gdl s LYS 156 CO 0.20 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 175.06 3gdl n GLY 157 N 2.95 0.50 3.64 5.54 0.00 -1.26 -4.98 105.19 111.58 3gdl n GLY 157 Ca 0.10 -0.10 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 3gdl n GLY 157 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gdl n SER 158 N 0.18 1.95 -1.07 1.61 2.88 -1.00 -4.87 113.62 113.30 3gdl n SER 158 Ca 0.00 1.19 0.12 0.00 -1.33 0.00 0.00 58.87 58.85 3gdl n SER 158 Cb 0.00 -1.37 0.19 0.00 -0.75 0.00 0.00 64.21 62.28 3gdl n SER 158 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3gdl n LEU 159 N 1.15 3.24 -3.69 2.46 4.77 -1.26 -4.69 117.00 118.98 3gdl n LEU 159 Ca 0.08 -1.30 -0.42 0.00 -0.03 0.00 0.00 56.01 54.35 3gdl n LEU 159 Cb 0.33 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3gdl n LEU 159 CO 0.61 0.65 2.61 0.00 -1.33 0.00 0.00 177.39 179.93 3gdl n ALA 160 N 1.40 5.85 -2.55 -1.18 0.00 -1.26 -4.80 120.51 117.96 3gdl n ALA 160 Ca 0.18 -3.94 -0.18 0.00 0.00 0.00 0.00 53.44 49.50 3gdl n ALA 160 Cb 0.59 -3.36 -0.06 0.00 0.00 0.00 0.00 19.45 16.63 3gdl n ALA 160 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3gdl s THR 161 N 2.22 0.00 0.00 0.00 -4.23 -1.26 -4.43 115.64 107.94 3gdl s THR 161 Ca 0.49 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 3gdl s THR 161 Cb 0.14 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.40 3gdl s THR 161 CO -0.07 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 3gdl n GLY 162 N -0.62 2.45 0.34 3.99 0.00 -1.26 -1.67 105.19 108.43 3gdl n GLY 162 Ca 0.05 0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.30 3gdl n GLY 162 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gdl h GLU 163 N 0.00 0.88 -0.46 1.61 4.39 -1.99 -1.88 114.58 117.13 3gdl h GLU 163 Ca 0.00 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 3gdl h GLU 163 Cb 0.00 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.43 3gdl h GLU 163 CO 0.00 0.58 0.16 -0.92 -1.16 0.00 0.00 179.01 177.67 3gdl h TYR 164 N 0.91 0.73 -0.57 4.33 3.20 -1.63 0.09 116.97 124.03 3gdl h TYR 164 Ca 0.27 -0.07 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 3gdl h TYR 164 Cb -0.04 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 37.99 3gdl h TYR 164 CO -0.00 0.65 0.24 1.15 -1.64 0.00 0.00 178.16 178.56 3gdl h THR 165 N 0.61 1.22 -0.45 1.81 2.02 -1.10 -0.82 112.91 116.20 3gdl h THR 165 Ca 0.15 -0.67 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 3gdl h THR 165 Cb 0.25 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3gdl h THR 165 CO -0.01 0.26 0.28 0.11 0.37 0.00 0.00 175.52 176.53 3gdl h LYS 166 N 0.78 0.60 -0.56 6.66 1.57 -1.08 0.09 116.57 124.64 3gdl h LYS 166 Ca 0.19 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3gdl h LYS 166 Cb 0.18 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3gdl h LYS 166 CO -0.02 0.44 0.26 0.78 -0.57 0.00 0.00 179.45 180.34 3gdl h GLY 167 N 0.60 0.84 1.17 3.86 0.00 -0.67 -0.95 103.07 107.91 3gdl h GLY 167 Ca 0.16 -0.39 -0.16 0.00 0.00 0.00 0.00 47.33 46.94 3gdl h GLY 167 CO -0.03 0.38 -0.38 -0.84 0.00 0.00 0.00 176.54 175.66 3gdl h THR 168 N 0.79 1.27 -0.74 4.70 2.02 -0.55 -2.39 112.91 118.01 3gdl h THR 168 Ca 0.19 -1.56 -0.05 0.00 0.77 0.00 0.00 66.41 65.77 3gdl h THR 168 Cb 0.10 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 3gdl h THR 168 CO -0.02 0.52 0.27 0.58 0.37 0.00 0.00 175.52 177.23 3gdl h VAL 169 N 0.74 1.25 -0.77 3.16 2.07 -0.43 -2.31 116.25 119.97 3gdl h VAL 169 Ca 0.06 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 3gdl h VAL 169 Cb 0.97 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 3gdl h VAL 169 CO 0.09 0.33 0.33 0.44 0.02 0.00 0.00 177.57 178.79 3gdl h ASP 170 N 1.09 1.03 -0.77 0.57 3.32 -1.02 -2.09 116.42 118.55 3gdl h ASP 170 Ca 0.24 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 3gdl h ASP 170 Cb 0.25 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 3gdl h ASP 170 CO -0.02 0.89 0.38 0.40 -1.72 0.00 0.00 179.24 179.18 3gdl h ILE 171 N 1.11 1.24 -0.31 0.35 2.04 -1.00 -2.23 117.51 118.72 3gdl h ILE 171 Ca 0.26 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 3gdl h ILE 171 Cb 0.17 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 3gdl h ILE 171 CO -0.03 0.29 0.06 0.00 0.00 0.00 0.00 178.15 178.48 3gdl h ALA 172 N 1.30 1.54 0.00 1.87 0.00 -0.86 -2.66 119.26 120.45 3gdl h ALA 172 Ca 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3gdl h ALA 172 Cb 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3gdl h ALA 172 CO -0.04 0.34 0.00 1.63 0.00 0.00 0.00 179.25 181.19 3gdl n LYS 173 N -4.36 0.15 0.27 0.00 5.02 -0.84 -3.10 118.16 115.30 3gdl n LYS 173 Ca 0.01 0.56 0.16 0.00 -2.02 0.00 0.00 58.31 57.03 3gdl n LYS 173 Cb 0.18 -1.91 0.64 0.00 -0.02 0.00 0.00 35.03 33.92 3gdl n LYS 173 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3gdl h SER 174 N 0.00 0.00 -2.06 4.39 4.64 -1.55 -3.41 113.55 115.56 3gdl h SER 174 Ca 0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 3gdl h SER 174 Cb 0.12 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 61.89 3gdl h SER 174 CO 0.00 0.03 -0.63 -0.62 -0.87 0.00 0.00 176.83 174.74 3gdl s ASP 175 N -5.78 1.44 0.40 4.97 -1.08 -1.18 -5.01 116.67 110.42 3gdl s ASP 175 Ca 0.01 -0.83 0.17 0.00 -0.52 0.00 0.00 52.55 51.38 3gdl s ASP 175 Cb 0.09 0.59 0.84 0.00 -1.46 0.00 0.00 42.92 42.98 3gdl s ASP 175 CO 0.56 -0.37 1.84 0.11 0.52 0.00 0.00 175.17 177.84 3gdl h LYS 176 N 8.08 0.00 0.00 4.34 1.57 -1.81 -0.59 116.57 128.16 3gdl h LYS 176 Ca -0.10 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.45 3gdl h LYS 176 Cb 1.08 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.35 3gdl h LYS 176 CO 0.31 0.33 -1.16 -0.44 -0.57 0.00 0.00 179.45 177.92 3gdl h ASP 177 N 0.00 0.00 0.01 0.86 3.32 -1.95 -3.40 116.42 115.27 3gdl h ASP 177 Ca -0.00 -0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.64 3gdl h ASP 177 Cb 0.67 -0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.16 3gdl h ASP 177 CO 0.04 1.00 -2.26 0.33 -1.72 0.00 0.00 179.24 176.64 3gdl n PHE 178 N -3.28 0.30 -2.83 4.55 7.35 -1.19 -4.31 117.46 118.05 3gdl n PHE 178 Ca -0.04 0.10 -0.43 0.00 -0.76 0.00 0.00 57.45 56.33 3gdl n PHE 178 Cb 0.97 -1.03 -0.04 0.00 0.35 0.00 0.00 39.48 39.72 3gdl n PHE 178 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3gdl s VAL 179 N -2.49 4.35 -0.74 -2.13 1.01 -0.23 -0.69 120.40 119.47 3gdl s VAL 179 Ca -0.35 0.14 0.25 0.00 0.00 0.00 0.00 61.98 62.02 3gdl s VAL 179 Cb 0.11 -4.59 0.12 0.00 0.00 0.00 0.00 36.38 32.03 3gdl s VAL 179 CO 0.56 -1.22 1.50 2.30 0.00 0.00 0.00 175.10 178.24 3gdl n ILE 180 N 6.14 0.34 -1.19 2.22 -5.35 -0.38 -4.66 119.36 116.47 3gdl n ILE 180 Ca 0.00 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 3gdl n ILE 180 Cb 0.47 -0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.15 3gdl n ILE 180 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gdl n GLY 181 N 1.37 -0.57 3.14 3.28 0.00 -1.25 -1.12 105.19 110.04 3gdl n GLY 181 Ca 0.04 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 3gdl n GLY 181 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gdl s PHE 182 N -3.67 0.78 -0.33 1.61 0.08 0.39 -1.89 117.98 114.94 3gdl s PHE 182 Ca 0.00 -0.96 -0.14 0.00 0.12 0.00 0.00 56.93 55.95 3gdl s PHE 182 Cb 0.00 -0.48 -0.02 0.00 -0.57 0.00 0.00 43.02 41.96 3gdl s PHE 182 CO 0.00 -0.22 0.31 0.42 -0.10 0.00 0.00 175.22 175.63 3gdl s ILE 183 N -3.71 5.22 0.27 0.64 -1.09 -0.39 -1.31 121.20 120.84 3gdl s ILE 183 Ca 0.10 -0.02 -0.15 0.00 -2.23 0.00 0.00 60.65 58.36 3gdl s ILE 183 Cb 0.06 -3.76 0.01 0.00 -1.58 0.00 0.00 42.46 37.19 3gdl s ILE 183 CO -0.06 -0.03 0.56 0.00 -1.23 0.00 0.00 174.94 174.18 3gdl s ALA 184 N 1.89 -0.51 -2.08 9.38 0.00 -0.64 -1.66 121.76 128.15 3gdl s ALA 184 Ca 0.09 -0.74 0.18 0.00 0.00 0.00 0.00 51.96 51.50 3gdl s ALA 184 Cb -0.17 0.99 0.22 0.00 0.00 0.00 0.00 23.12 24.16 3gdl s ALA 184 CO 0.11 -0.91 1.14 1.04 0.00 0.00 0.00 175.76 177.14 3gdl n GLN 185 N -0.42 1.76 -3.78 0.00 1.13 -1.26 -4.04 117.38 110.77 3gdl n GLN 185 Ca -0.02 -1.74 -0.05 0.00 -1.94 0.00 0.00 57.00 53.25 3gdl n GLN 185 Cb 0.61 -1.36 -0.02 0.00 0.11 0.00 0.00 30.24 29.58 3gdl n GLN 185 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 3gdl s ARG 186 N -1.39 1.35 0.45 -1.09 1.70 -1.26 -4.91 118.95 113.80 3gdl s ARG 186 Ca 0.24 -0.74 -0.25 0.00 -0.47 0.00 0.00 55.73 54.51 3gdl s ARG 186 Cb 0.16 0.46 -0.09 0.00 -0.57 0.00 0.00 34.95 34.92 3gdl s ARG 186 CO 0.23 -0.62 1.42 -3.47 -1.08 0.00 0.00 175.30 171.78 3gdl n ASP 187 N -0.46 3.28 -0.65 -2.89 2.03 -0.74 -4.92 116.55 112.19 3gdl n ASP 187 Ca -0.06 1.12 0.06 0.00 0.52 0.00 0.00 54.79 56.44 3gdl n ASP 187 Cb 0.60 -1.60 0.17 0.00 -0.72 0.00 0.00 41.12 39.58 3gdl n ASP 187 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3gdl n MET 188 N -0.14 2.87 0.00 -0.67 2.81 -1.26 -5.08 117.12 115.65 3gdl n MET 188 Ca 0.05 -2.22 0.00 0.00 -1.81 0.00 0.00 57.70 53.72 3gdl n MET 188 Cb 0.41 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 3gdl n MET 188 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gdl n GLY 189 N 0.17 1.67 0.82 3.03 0.00 -1.26 -4.93 105.19 104.68 3gdl n GLY 189 Ca 0.13 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3gdl n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gdl n GLY 190 N 0.00 1.90 0.37 -0.02 0.00 -1.26 -4.71 105.19 101.47 3gdl n GLY 190 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3gdl n GLY 190 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gdl h ARG 191 N 3.08 1.17 0.00 1.61 3.08 -1.91 -0.83 114.38 120.58 3gdl h ARG 191 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3gdl h ARG 191 Cb 0.00 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.79 3gdl h ARG 191 CO 0.00 0.78 0.00 0.38 -1.07 0.00 0.00 179.97 180.06 3gdl h ASP 192 N 1.21 0.00 -0.57 7.04 3.04 -1.92 -2.48 116.42 122.74 3gdl h ASP 192 Ca 0.42 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.21 3gdl h ASP 192 Cb 0.11 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.40 3gdl h ASP 192 CO -0.15 0.00 0.00 -0.62 -2.04 0.00 0.00 179.24 176.43 3gdl n GLU 193 N -2.90 2.68 -1.40 4.15 1.02 -0.55 -4.96 120.64 118.69 3gdl n GLU 193 Ca 0.00 -2.42 0.00 0.00 -0.02 0.00 0.00 57.16 54.72 3gdl n GLU 193 Cb 0.23 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 3gdl n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gdl n GLY 194 N 1.32 0.60 3.48 0.62 0.00 -0.93 -5.07 105.19 105.21 3gdl n GLY 194 Ca 0.20 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 3gdl n GLY 194 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gdl s TYR 195 N -2.00 2.73 -0.61 1.61 2.02 -0.43 -5.01 117.35 115.66 3gdl s TYR 195 Ca 0.00 -0.16 0.06 0.00 -0.37 0.00 0.00 57.07 56.60 3gdl s TYR 195 Cb 0.00 -1.65 0.21 0.00 -0.40 0.00 0.00 41.96 40.12 3gdl s TYR 195 CO 0.00 0.19 0.57 -3.47 -1.57 0.00 0.00 175.55 171.27 3gdl n ASP 196 N 2.35 2.49 -4.72 2.29 2.03 -1.26 -3.36 116.55 116.37 3gdl n ASP 196 Ca -0.17 -3.13 -0.42 0.00 0.52 0.00 0.00 54.79 51.59 3gdl n ASP 196 Cb 0.52 -0.68 -0.03 0.00 -0.72 0.00 0.00 41.12 40.21 3gdl n ASP 196 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 3gdl s TRP 197 N -1.61 3.46 0.11 -0.67 0.51 -1.26 -4.90 118.94 114.58 3gdl s TRP 197 Ca 0.33 1.37 -0.30 0.00 -2.12 0.00 0.00 56.10 55.37 3gdl s TRP 197 Cb 0.07 -3.40 -0.06 0.00 -0.81 0.00 0.00 33.47 29.26 3gdl s TRP 197 CO -0.11 -1.18 1.14 -0.51 -0.51 0.00 0.00 176.95 175.78 3gdl s LEU 198 N 0.58 4.43 -0.29 2.99 2.01 -0.28 -4.87 118.68 123.25 3gdl s LEU 198 Ca 0.56 2.03 -0.04 0.00 0.01 0.00 0.00 54.13 56.69 3gdl s LEU 198 Cb -0.30 -3.59 0.03 0.00 0.01 0.00 0.00 46.19 42.34 3gdl s LEU 198 CO 0.32 -0.34 0.01 -0.63 1.01 0.00 0.00 176.35 176.72 3gdl s ILE 199 N 0.43 3.33 -0.16 -0.59 -1.09 -1.26 -0.46 121.20 121.40 3gdl s ILE 199 Ca 0.54 -1.02 -0.03 0.00 -2.23 0.00 0.00 60.65 57.91 3gdl s ILE 199 Cb -0.29 -2.78 -0.02 0.00 -1.58 0.00 0.00 42.46 37.79 3gdl s ILE 199 CO 0.32 0.05 -0.06 -0.04 -1.23 0.00 0.00 174.94 173.98 3gdl s MET 200 N 1.37 3.56 -0.23 2.79 -1.94 -0.43 -0.55 119.30 123.87 3gdl s MET 200 Ca -0.01 -0.57 0.02 0.00 -1.71 0.00 0.00 55.69 53.42 3gdl s MET 200 Cb -0.18 -2.88 0.05 0.00 2.01 0.00 0.00 34.83 33.83 3gdl s MET 200 CO -0.01 0.15 -0.14 0.99 -0.01 0.00 0.00 175.02 176.00 3gdl s THR 201 N 0.59 2.09 0.83 2.05 2.01 -0.08 -1.62 115.64 121.52 3gdl s THR 201 Ca -0.04 -1.37 -0.06 0.00 0.31 0.00 0.00 61.69 60.53 3gdl s THR 201 Cb -0.15 -2.10 0.17 0.00 0.01 0.00 0.00 72.50 70.43 3gdl s THR 201 CO 0.03 0.16 1.14 -2.84 -0.69 0.00 0.00 174.62 172.41 3gdl s PRO 202 N 1.18 1.13 -0.39 4.92 0.02 -1.26 -1.18 135.00 139.42 3gdl s PRO 202 Ca -0.04 -1.00 -0.02 0.00 0.02 0.00 0.00 61.00 59.96 3gdl s PRO 202 Cb -0.18 -2.15 0.00 0.00 0.02 0.00 0.00 34.50 32.19 3gdl s PRO 202 CO -0.08 -1.91 0.34 0.41 -0.33 0.00 0.00 177.00 175.42 3gdl n GLY 203 N -3.22 0.48 3.24 0.52 0.00 -1.26 -4.83 105.19 100.12 3gdl n GLY 203 Ca 0.17 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 3gdl n GLY 203 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gdl s VAL 204 N -3.09 2.58 -0.23 1.61 1.01 -1.25 -1.12 120.40 119.91 3gdl s VAL 204 Ca 0.15 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 61.14 3gdl s VAL 204 Cb -0.06 -2.09 0.06 0.00 0.00 0.00 0.00 36.38 34.29 3gdl s VAL 204 CO 0.21 0.52 0.60 -0.83 0.00 0.00 0.00 175.10 175.59 3gdl s GLY 205 N 0.91 -0.46 0.10 4.51 0.00 -0.61 -4.63 107.32 107.13 3gdl s GLY 205 Ca -0.04 1.77 0.24 0.00 0.00 0.00 0.00 44.72 46.69 3gdl s GLY 205 CO -0.02 1.59 1.18 1.04 0.00 0.00 0.00 173.10 176.90 3gdl n LEU 206 N 3.07 0.67 0.03 0.66 4.77 -1.26 -3.95 117.00 120.99 3gdl n LEU 206 Ca -0.15 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3gdl n LEU 206 Cb 0.56 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3gdl n LEU 206 CO 0.06 -0.03 -0.24 0.47 -1.33 0.00 0.00 177.39 176.32 3gdl n ASP 207 N -2.11 0.58 -4.75 -1.43 8.00 -1.26 -5.04 116.55 110.54 3gdl n ASP 207 Ca 0.02 0.08 -0.37 0.00 0.71 0.00 0.00 54.79 55.23 3gdl n ASP 207 Cb 0.45 -0.17 0.04 0.00 -0.02 0.00 0.00 41.12 41.41 3gdl n ASP 207 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3gdl s ASP 208 N -5.52 5.19 -0.20 -2.24 1.01 -1.26 -4.94 116.67 108.71 3gdl s ASP 208 Ca 0.00 2.52 0.14 0.00 0.71 0.00 0.00 52.55 55.92 3gdl s ASP 208 Cb 0.00 -2.61 -0.23 0.00 1.01 0.00 0.00 42.92 41.08 3gdl s ASP 208 CO 0.00 -1.60 0.04 1.17 0.21 0.00 0.00 175.17 174.99 3gdl n LYS 209 N -1.40 0.68 -3.12 8.23 3.00 -1.26 -4.69 118.16 119.60 3gdl n LYS 209 Ca 0.13 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 3gdl n LYS 209 Cb 0.48 -1.53 0.00 0.00 0.00 0.00 0.00 35.03 33.98 3gdl n LYS 209 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3gdl n GLY 210 N 1.84 -0.89 1.57 3.14 0.00 -1.26 -1.60 105.19 107.99 3gdl n GLY 210 Ca -0.35 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 3gdl n GLY 210 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gdl n ASP 211 N 0.18 0.96 -0.07 1.61 5.68 -1.06 -4.97 116.55 118.88 3gdl n ASP 211 Ca 0.00 -2.02 0.16 0.00 -0.50 0.00 0.00 54.79 52.43 3gdl n ASP 211 Cb 0.00 0.51 0.86 0.00 -1.14 0.00 0.00 41.12 41.34 3gdl n ASP 211 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gdl n ALA 212 N -2.08 2.66 -2.30 2.12 0.00 -1.26 -4.02 120.51 115.63 3gdl n ALA 212 Ca -0.07 -0.23 -0.18 0.00 0.00 0.00 0.00 53.44 52.96 3gdl n ALA 212 Cb 0.29 -1.46 0.02 0.00 0.00 0.00 0.00 19.45 18.30 3gdl n ALA 212 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gdl n LEU 213 N -0.87 3.97 0.00 0.00 4.77 -1.26 -4.98 117.00 118.63 3gdl n LEU 213 Ca 0.22 -4.37 0.00 0.00 -0.03 0.00 0.00 56.01 51.83 3gdl n LEU 213 Cb 0.16 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3gdl n LEU 213 CO 0.19 1.85 0.00 0.61 -1.33 0.00 0.00 177.39 178.71 3gdl n GLY 214 N -0.62 1.38 3.78 -0.72 0.00 -1.26 -4.96 105.19 102.79 3gdl n GLY 214 Ca 0.33 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.98 3gdl n GLY 214 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gdl s GLN 215 N -0.43 4.07 -0.01 1.61 2.00 -1.26 -0.50 119.66 125.14 3gdl s GLN 215 Ca 0.00 1.62 0.02 0.00 -2.00 0.00 0.00 55.36 55.00 3gdl s GLN 215 Cb 0.00 -2.54 -0.00 0.00 0.80 0.00 0.00 33.01 31.27 3gdl s GLN 215 CO 0.00 -0.25 -0.08 -0.65 -0.50 0.00 0.00 175.29 173.81 3gdl s GLN 216 N -2.50 0.69 0.03 1.67 -0.21 -1.23 -2.56 119.66 115.55 3gdl s GLN 216 Ca 0.59 -0.28 0.06 0.00 0.02 0.00 0.00 55.36 55.75 3gdl s GLN 216 Cb -0.25 -0.67 -0.03 0.00 1.00 0.00 0.00 33.01 33.06 3gdl s GLN 216 CO 0.31 0.15 -0.16 0.71 -2.12 0.00 0.00 175.29 174.18 3gdl s TYR 217 N -0.09 2.61 0.17 0.91 2.02 -0.63 -4.62 117.35 117.72 3gdl s TYR 217 Ca 0.02 -0.22 0.10 0.00 -0.37 0.00 0.00 57.07 56.59 3gdl s TYR 217 Cb -0.04 -1.49 -0.04 0.00 -0.40 0.00 0.00 41.96 39.99 3gdl s TYR 217 CO -0.00 0.27 -0.21 1.03 -1.57 0.00 0.00 175.55 175.07 3gdl s ARG 218 N -1.43 1.36 0.79 -0.62 0.52 -0.27 -4.86 118.95 114.45 3gdl s ARG 218 Ca 0.15 -1.42 -0.11 0.00 -0.52 0.00 0.00 55.73 53.82 3gdl s ARG 218 Cb -0.11 -1.57 0.07 0.00 0.52 0.00 0.00 34.95 33.86 3gdl s ARG 218 CO 0.06 0.34 1.10 0.95 0.02 0.00 0.00 175.30 177.76 3gdl s THR 219 N -1.74 3.10 0.10 0.02 -4.23 -1.25 -1.57 115.64 110.06 3gdl s THR 219 Ca 0.17 0.36 -0.21 0.00 -1.18 0.00 0.00 61.69 60.82 3gdl s THR 219 Cb -0.07 -3.11 -0.10 0.00 1.34 0.00 0.00 72.50 70.55 3gdl s THR 219 CO 0.08 -0.47 1.71 0.58 -0.54 0.00 0.00 174.62 175.98 3gdl h VAL 220 N -1.07 1.07 -0.90 2.29 2.07 -1.96 -2.33 116.25 115.42 3gdl h VAL 220 Ca -0.47 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 66.91 3gdl h VAL 220 Cb 1.27 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.95 3gdl h VAL 220 CO 0.59 0.07 0.58 0.44 0.02 0.00 0.00 177.57 179.27 3gdl h ASP 221 N 0.13 0.94 0.09 0.57 3.45 -1.93 -1.87 116.42 117.79 3gdl h ASP 221 Ca 0.05 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.50 3gdl h ASP 221 Cb 0.04 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 38.61 3gdl h ASP 221 CO -0.01 0.63 -0.04 -0.78 -1.57 0.00 0.00 179.24 177.47 3gdl h ASP 222 N 1.09 -0.10 -0.10 6.45 3.58 -1.87 -1.91 116.42 123.56 3gdl h ASP 222 Ca 0.37 -0.12 -0.13 0.00 0.42 0.00 0.00 57.03 57.58 3gdl h ASP 222 Cb 0.07 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 3gdl h ASP 222 CO -0.14 0.06 -0.35 -0.37 -2.88 0.00 0.00 179.24 175.56 3gdl h VAL 223 N -0.26 1.29 -0.45 2.25 -1.51 -1.30 -2.83 116.25 113.44 3gdl h VAL 223 Ca -0.01 -1.49 -0.08 0.00 -1.23 0.00 0.00 66.70 63.89 3gdl h VAL 223 Cb 0.21 1.46 -0.02 0.00 -2.13 0.00 0.00 31.29 30.82 3gdl h VAL 223 CO 0.02 0.47 -0.06 0.58 -1.23 0.00 0.00 177.57 177.35 3gdl h VAL 224 N 0.51 1.25 0.00 7.19 2.07 -1.34 -1.98 116.25 123.95 3gdl h VAL 224 Ca 0.05 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 3gdl h VAL 224 Cb 0.85 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3gdl h VAL 224 CO 0.07 0.38 -0.00 0.77 0.02 0.00 0.00 177.57 178.81 3gdl h SER 225 N 0.72 0.00 -0.47 0.57 4.64 -1.11 -2.37 113.55 115.53 3gdl h SER 225 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3gdl h SER 225 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3gdl h SER 225 CO 0.03 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.34 3gdl n THR 226 N -3.10 0.61 0.00 2.95 -2.24 -0.88 -4.94 114.28 106.69 3gdl n THR 226 Ca -0.01 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 3gdl n THR 226 Cb 0.24 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 3gdl n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gdl n GLY 227 N 1.51 1.15 3.72 3.38 0.00 -0.89 -1.80 105.19 112.26 3gdl n GLY 227 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3gdl n GLY 227 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gdl s SER 228 N -1.55 6.98 -0.11 1.61 0.01 -0.80 -4.58 113.70 115.26 3gdl s SER 228 Ca 0.00 2.18 0.04 0.00 1.31 0.00 0.00 55.95 59.48 3gdl s SER 228 Cb 0.00 -2.59 -0.24 0.00 0.21 0.00 0.00 66.02 63.40 3gdl s SER 228 CO 0.00 -0.53 0.40 0.47 0.41 0.00 0.00 173.24 173.99 3gdl n ASP 229 N 3.67 1.40 -4.00 2.44 8.00 0.29 -4.64 116.55 123.72 3gdl n ASP 229 Ca 0.09 0.24 -0.20 0.00 0.71 0.00 0.00 54.79 55.63 3gdl n ASP 229 Cb 0.44 -0.32 -0.15 0.00 -0.02 0.00 0.00 41.12 41.07 3gdl n ASP 229 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gdl s ILE 230 N -2.56 0.73 -0.19 0.53 1.01 -0.76 -4.82 121.20 115.14 3gdl s ILE 230 Ca -0.15 -0.34 -0.08 0.00 0.00 0.00 0.00 60.65 60.07 3gdl s ILE 230 Cb 0.07 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.86 3gdl s ILE 230 CO 0.78 0.23 0.08 0.27 0.00 0.00 0.00 174.94 176.30 3gdl s ILE 231 N 0.13 4.93 -0.29 2.92 -4.36 -0.39 -0.90 121.20 123.24 3gdl s ILE 231 Ca -0.02 0.02 -0.09 0.00 -0.26 0.00 0.00 60.65 60.30 3gdl s ILE 231 Cb -0.07 -3.23 -0.02 0.00 1.25 0.00 0.00 42.46 40.39 3gdl s ILE 231 CO 0.00 0.46 0.13 -0.63 0.24 0.00 0.00 174.94 175.14 3gdl s ILE 232 N 0.37 4.57 -0.10 8.37 1.01 -0.33 -0.68 121.20 134.41 3gdl s ILE 232 Ca 0.04 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.39 3gdl s ILE 232 Cb -0.12 -3.27 0.01 0.00 0.01 0.00 0.00 42.46 39.09 3gdl s ILE 232 CO -0.00 0.15 -0.16 -0.69 0.00 0.00 0.00 174.94 174.23 3gdl s VAL 233 N 1.62 1.54 0.00 2.92 1.01 -0.46 -3.91 120.40 123.12 3gdl s VAL 233 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.35 3gdl s VAL 233 Cb -0.16 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.82 3gdl s VAL 233 CO 0.06 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3gdl n GLY 234 N 4.05 0.29 0.38 4.51 0.00 -1.26 -1.25 105.19 111.91 3gdl n GLY 234 Ca -0.20 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.02 3gdl n GLY 234 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gdl h ARG 235 N 0.00 0.00 0.00 1.61 3.08 -1.94 0.25 114.38 117.38 3gdl h ARG 235 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gdl h ARG 235 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3gdl h ARG 235 CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 179.97 179.68 3gdl h GLY 236 N 0.00 0.00 0.13 0.04 0.00 -1.88 -2.02 103.07 99.35 3gdl h GLY 236 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 47.12 3gdl h GLY 236 CO -0.00 0.00 -2.29 1.04 0.00 0.00 0.00 176.54 175.28 3gdl n LEU 237 N -2.81 2.62 0.00 3.11 4.77 0.86 -4.83 117.00 120.71 3gdl n LEU 237 Ca -0.01 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3gdl n LEU 237 Cb 0.15 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 3gdl n LEU 237 CO 0.20 0.80 -0.23 2.22 -1.33 0.00 0.00 177.39 179.05 3gdl n PHE 238 N -3.59 0.00 -2.17 -1.77 1.16 -1.18 -3.17 117.46 106.73 3gdl n PHE 238 Ca -0.44 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 54.88 3gdl n PHE 238 Cb 0.96 0.00 0.11 0.00 -1.61 0.00 0.00 39.48 38.93 3gdl n PHE 238 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3gdl s ALA 239 N -1.46 2.97 -1.46 1.98 0.00 -0.76 -4.14 121.76 118.89 3gdl s ALA 239 Ca 0.00 -1.10 -0.11 0.00 0.00 0.00 0.00 51.96 50.75 3gdl s ALA 239 Cb 0.00 -2.58 0.06 0.00 0.00 0.00 0.00 23.12 20.60 3gdl s ALA 239 CO 0.00 -1.64 0.77 1.63 0.00 0.00 0.00 175.76 176.51 3gdl n LYS 240 N -3.15 -4.83 -0.93 0.00 5.02 -1.26 -1.46 118.16 111.54 3gdl n LYS 240 Ca 0.11 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 3gdl n LYS 240 Cb 0.60 -5.47 0.00 0.00 -0.02 0.00 0.00 35.03 30.15 3gdl n LYS 240 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gdl n GLY 241 N -1.51 0.76 3.72 0.72 0.00 -1.26 -5.00 105.19 102.61 3gdl n GLY 241 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3gdl n GLY 241 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gdl n ARG 242 N -2.06 0.94 -2.99 1.61 1.74 -0.54 -4.95 116.66 110.42 3gdl n ARG 242 Ca 0.00 0.38 -0.44 0.00 -0.77 0.00 0.00 57.85 57.03 3gdl n ARG 242 Cb 0.02 -2.51 -0.04 0.00 -1.02 0.00 0.00 32.46 28.90 3gdl n ARG 242 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3gdl s ASP 243 N -1.51 6.20 0.24 0.55 -1.08 -1.26 -4.74 116.67 115.07 3gdl s ASP 243 Ca 0.81 -1.08 -0.06 0.00 -0.52 0.00 0.00 52.55 51.70 3gdl s ASP 243 Cb -0.37 -2.36 0.43 0.00 -1.46 0.00 0.00 42.92 39.16 3gdl s ASP 243 CO 0.42 -1.23 1.69 0.00 0.52 0.00 0.00 175.17 176.56 3gdl h ALA 244 N 9.33 0.90 -0.40 3.66 0.00 -1.88 -0.44 119.26 130.43 3gdl h ALA 244 Ca -0.29 0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3gdl h ALA 244 Cb 1.08 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 3gdl h ALA 244 CO 1.12 -0.33 0.26 -0.22 0.00 0.00 0.00 179.25 180.07 3gdl h LYS 245 N 0.26 0.51 -0.24 0.00 3.64 -1.86 0.18 116.57 119.05 3gdl h LYS 245 Ca 0.40 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.71 3gdl h LYS 245 Cb 0.66 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 3gdl h LYS 245 CO -0.50 0.33 0.01 0.28 -2.27 0.00 0.00 179.45 177.31 3gdl h VAL 246 N 0.52 1.25 -0.29 2.00 2.07 -1.74 -2.71 116.25 117.35 3gdl h VAL 246 Ca 0.15 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 3gdl h VAL 246 Cb -0.04 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3gdl h VAL 246 CO -0.04 0.27 0.06 -0.33 0.02 0.00 0.00 177.57 177.55 3gdl h GLU 247 N 0.19 0.42 -0.14 1.57 4.39 -0.92 -1.70 114.58 118.40 3gdl h GLU 247 Ca 0.07 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3gdl h GLU 247 Cb 0.39 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3gdl h GLU 247 CO 0.01 0.40 0.09 0.78 -1.16 0.00 0.00 179.01 179.13 3gdl h GLY 248 N 0.65 0.19 1.07 -3.84 0.00 -0.34 0.34 103.07 101.13 3gdl h GLY 248 Ca 0.10 -0.07 -0.09 0.00 0.00 0.00 0.00 47.33 47.27 3gdl h GLY 248 CO -0.00 0.07 0.00 -2.09 0.00 0.00 0.00 176.54 174.52 3gdl h GLU 249 N 0.18 1.03 -0.10 4.80 4.57 -1.22 -0.35 114.58 123.50 3gdl h GLU 249 Ca 0.05 -0.33 0.01 0.00 -1.18 0.00 0.00 59.36 57.91 3gdl h GLU 249 Cb -0.02 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 3gdl h GLU 249 CO -0.01 1.01 0.02 -0.09 -1.18 0.00 0.00 179.01 178.77 3gdl h ARG 250 N 0.92 0.07 -0.20 1.92 2.43 -1.02 0.28 114.38 118.78 3gdl h ARG 250 Ca 0.17 -0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.17 3gdl h ARG 250 Cb 0.55 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3gdl h ARG 250 CO 0.03 0.04 -0.55 1.88 -1.51 0.00 0.00 179.97 179.86 3gdl h TYR 251 N 0.07 0.76 -0.17 2.20 0.05 -0.88 -1.95 116.97 117.05 3gdl h TYR 251 Ca 0.04 -0.27 -0.00 0.00 0.05 0.00 0.00 58.73 58.55 3gdl h TYR 251 Cb 0.03 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.62 3gdl h TYR 251 CO -0.11 1.02 0.09 -0.09 -1.05 0.00 0.00 178.16 178.03 3gdl h ARG 252 N 0.46 0.24 -0.20 4.88 2.43 -0.85 0.78 114.38 122.12 3gdl h ARG 252 Ca 0.01 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3gdl h ARG 252 Cb 1.11 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.58 3gdl h ARG 252 CO 0.11 0.23 -0.00 -0.22 -1.51 0.00 0.00 179.97 178.58 3gdl h LYS 253 N 0.18 0.06 -0.57 0.20 1.63 -0.90 0.44 116.57 117.60 3gdl h LYS 253 Ca 0.06 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 3gdl h LYS 253 Cb 0.06 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 3gdl h LYS 253 CO -0.01 0.04 0.32 0.00 -3.45 0.00 0.00 179.45 176.35 3gdl h ALA 254 N 1.17 0.73 -0.47 5.00 0.00 -1.11 -1.50 119.26 123.09 3gdl h ALA 254 Ca 0.09 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3gdl h ALA 254 Cb 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3gdl h ALA 254 CO -0.16 0.25 -0.21 0.78 0.00 0.00 0.00 179.25 179.91 3gdl h GLY 255 N 0.77 1.05 0.95 0.00 0.00 -0.53 -2.11 103.07 103.20 3gdl h GLY 255 Ca 0.20 -0.94 -0.10 0.00 0.00 0.00 0.00 47.33 46.49 3gdl h GLY 255 CO -0.03 0.85 -0.23 -0.25 0.00 0.00 0.00 176.54 176.88 3gdl h TRP 256 N 0.82 0.79 -0.56 5.60 2.91 -0.81 -1.95 115.95 122.75 3gdl h TRP 256 Ca 0.11 -0.22 -0.08 0.00 1.13 0.00 0.00 58.89 59.83 3gdl h TRP 256 Cb 0.79 -0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 29.24 3gdl h TRP 256 CO 0.05 0.94 0.03 0.93 -1.03 0.00 0.00 178.44 179.37 3gdl h GLU 257 N 0.42 0.93 -0.70 2.65 5.08 -1.29 0.54 114.58 122.22 3gdl h GLU 257 Ca 0.06 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.11 3gdl h GLU 257 Cb 0.78 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 3gdl h GLU 257 CO 0.06 0.91 0.24 0.00 -1.00 0.00 0.00 179.01 179.22 3gdl h ALA 258 N 1.16 1.11 -0.33 3.43 0.00 -1.33 -1.22 119.26 122.09 3gdl h ALA 258 Ca 0.17 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3gdl h ALA 258 Cb 0.47 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3gdl h ALA 258 CO 0.02 0.62 0.05 -0.92 0.00 0.00 0.00 179.25 179.01 3gdl h TYR 259 N 1.02 0.58 0.00 0.00 3.20 -0.74 -2.76 116.97 118.27 3gdl h TYR 259 Ca 0.23 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 3gdl h TYR 259 Cb 0.25 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 3gdl h TYR 259 CO 0.02 0.63 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.99 3gdl h LEU 260 N 0.37 0.00 0.00 2.82 3.38 -0.49 -3.51 115.31 117.88 3gdl h LEU 260 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3gdl h LEU 260 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3gdl h LEU 260 CO 0.01 0.11 0.00 0.54 0.09 0.00 0.00 178.44 179.19