#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g2x s ARG 3 N 0.00 2.15 0.02 2.61 3.00 -1.26 -2.76 118.95 122.71 3g2x s ARG 3 Ca 0.00 -1.50 -0.15 0.00 0.00 0.00 0.00 55.73 54.07 3g2x s ARG 3 Cb 0.00 -2.07 0.02 0.00 0.00 0.00 0.00 34.95 32.91 3g2x s ARG 3 CO 0.00 0.36 0.33 -0.08 0.00 0.00 0.00 175.30 175.91 3g2x s THR 4 N -2.37 0.07 -0.22 0.02 -1.32 -1.05 -4.67 115.64 106.09 3g2x s THR 4 Ca 0.31 -0.56 -0.09 0.00 -1.21 0.00 0.00 61.69 60.13 3g2x s THR 4 Cb -0.06 -0.85 -0.04 0.00 -1.51 0.00 0.00 72.50 70.04 3g2x s THR 4 CO 0.19 -0.31 0.12 -0.22 -2.21 0.00 0.00 174.62 172.19 3g2x s LEU 5 N -1.81 3.95 -0.06 9.08 1.98 -1.26 -1.84 118.68 128.71 3g2x s LEU 5 Ca -0.08 0.06 0.04 0.00 -2.89 0.00 0.00 54.13 51.27 3g2x s LEU 5 Cb -0.02 -2.04 -0.00 0.00 0.66 0.00 0.00 46.19 44.78 3g2x s LEU 5 CO -0.01 0.08 -0.20 -0.69 -1.89 0.00 0.00 176.35 173.65 3g2x s VAL 6 N 0.93 1.70 -0.04 1.68 1.01 -0.40 -1.69 120.40 123.59 3g2x s VAL 6 Ca 0.06 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 3g2x s VAL 6 Cb -0.13 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3g2x s VAL 6 CO 0.03 0.48 0.04 -0.76 0.00 0.00 0.00 175.10 174.89 3g2x s LEU 7 N 0.14 3.74 -0.56 3.92 1.43 -0.95 -0.83 118.68 125.56 3g2x s LEU 7 Ca -0.09 0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 53.02 3g2x s LEU 7 Cb -0.14 -2.03 0.14 0.00 0.03 0.00 0.00 46.19 44.18 3g2x s LEU 7 CO 0.04 0.32 0.49 -0.63 0.23 0.00 0.00 176.35 176.81 3g2x s ILE 8 N -1.04 4.97 0.95 -0.59 -1.09 0.58 -1.49 121.20 123.48 3g2x s ILE 8 Ca 0.18 -1.74 -0.11 0.00 -2.23 0.00 0.00 60.65 56.75 3g2x s ILE 8 Cb -0.12 -4.19 0.13 0.00 -1.58 0.00 0.00 42.46 36.71 3g2x s ILE 8 CO 0.08 -0.87 0.94 0.29 -1.23 0.00 0.00 174.94 174.16 3g2x n LYS 9 N 4.95 -0.60 0.18 2.79 5.02 0.45 -2.66 118.16 128.29 3g2x n LYS 9 Ca -0.08 -0.12 0.14 0.00 -2.02 0.00 0.00 58.31 56.23 3g2x n LYS 9 Cb 0.41 -2.23 0.62 0.00 -0.02 0.00 0.00 35.03 33.81 3g2x n LYS 9 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3g2x h PRO 10 N -1.89 0.00 -0.14 1.97 0.11 -1.82 -1.75 132.00 128.48 3g2x h PRO 10 Ca -0.45 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.54 3g2x h PRO 10 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3g2x h PRO 10 CO 0.40 0.00 -0.45 0.38 -0.21 0.00 0.00 178.00 178.12 3g2x h ASP 11 N 0.00 0.36 -0.57 -2.05 2.03 -1.90 -2.89 116.42 111.41 3g2x h ASP 11 Ca 0.00 -0.16 0.09 0.00 -0.73 0.00 0.00 57.03 56.22 3g2x h ASP 11 Cb 0.25 -0.10 -0.07 0.00 -0.83 0.00 0.00 39.33 38.58 3g2x h ASP 11 CO 0.00 0.76 0.20 0.00 -1.03 0.00 0.00 179.24 179.17 3g2x h ALA 12 N 1.26 0.72 -0.46 4.15 0.00 -1.59 0.22 119.26 123.56 3g2x h ALA 12 Ca 0.02 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 3g2x h ALA 12 Cb 0.90 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3g2x h ALA 12 CO 0.07 -0.21 -0.27 0.74 0.00 0.00 0.00 179.25 179.59 3g2x h PHE 13 N 0.38 1.15 -0.24 0.00 -1.00 -1.66 0.39 116.94 115.96 3g2x h PHE 13 Ca 0.28 -0.30 0.05 0.00 2.81 0.00 0.00 57.97 60.81 3g2x h PHE 13 Cb 0.34 -0.26 -0.04 0.00 3.61 0.00 0.00 35.95 39.59 3g2x h PHE 13 CO -0.17 1.13 -0.05 1.49 -1.61 0.00 0.00 178.31 179.10 3g2x h GLU 14 N 0.84 0.01 -0.38 1.51 4.57 -1.19 -2.87 114.58 117.07 3g2x h GLU 14 Ca 0.10 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 3g2x h GLU 14 Cb 0.85 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 3g2x h GLU 14 CO 0.08 0.01 0.00 0.54 -1.18 0.00 0.00 179.01 178.45 3g2x n ARG 15 N -5.21 2.09 -3.73 1.92 1.74 0.73 -4.96 116.66 109.25 3g2x n ARG 15 Ca -0.02 -1.68 -0.29 0.00 -0.77 0.00 0.00 57.85 55.10 3g2x n ARG 15 Cb 0.14 -1.41 0.03 0.00 -1.02 0.00 0.00 32.46 30.20 3g2x n ARG 15 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3g2x n SER 16 N 0.87 -3.86 -0.37 0.55 7.64 0.11 -4.91 113.62 113.65 3g2x n SER 16 Ca 0.17 -0.99 0.07 0.00 1.01 0.00 0.00 58.87 59.13 3g2x n SER 16 Cb 0.43 -3.42 0.12 0.00 -1.01 0.00 0.00 64.21 60.32 3g2x n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3g2x n LEU 17 N -4.22 1.83 0.02 -3.43 4.77 0.48 -4.78 117.00 111.68 3g2x n LEU 17 Ca -0.16 -2.74 -0.13 0.00 -0.03 0.00 0.00 56.01 52.96 3g2x n LEU 17 Cb 0.62 -0.33 -0.09 0.00 -2.33 0.00 0.00 43.42 41.29 3g2x n LEU 17 CO 0.69 0.73 0.64 0.58 -1.33 0.00 0.00 177.39 178.70 3g2x h VAL 18 N 2.16 1.22 -0.53 4.08 2.07 -1.92 -1.67 116.25 121.66 3g2x h VAL 18 Ca -0.02 -0.93 -0.11 0.00 0.82 0.00 0.00 66.70 66.46 3g2x h VAL 18 Cb 1.15 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 3g2x h VAL 18 CO 0.01 0.23 -0.10 0.00 0.02 0.00 0.00 177.57 177.73 3g2x h ALA 19 N 0.42 0.83 -0.01 1.67 0.00 -1.96 -1.29 119.26 118.93 3g2x h ALA 19 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3g2x h ALA 19 Cb 0.43 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3g2x h ALA 19 CO 0.01 0.66 -0.10 1.49 0.00 0.00 0.00 179.25 181.31 3g2x h GLU 20 N 0.87 -0.11 -0.17 0.00 4.57 -1.87 0.28 114.58 118.16 3g2x h GLU 20 Ca 0.14 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.38 3g2x h GLU 20 Cb 0.64 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 29.20 3g2x h GLU 20 CO 0.04 -0.07 -0.26 0.82 -1.18 0.00 0.00 179.01 178.36 3g2x h ILE 21 N -0.12 0.39 -0.83 2.32 2.04 -1.16 -0.24 117.51 119.91 3g2x h ILE 21 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 3g2x h ILE 21 Cb 0.13 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 36.53 3g2x h ILE 21 CO -0.07 0.00 0.54 0.24 0.00 0.00 0.00 178.15 178.86 3g2x h MET 22 N -0.30 0.76 -0.80 2.37 2.86 -1.15 -1.27 114.93 117.38 3g2x h MET 22 Ca 0.11 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3g2x h MET 22 Cb 0.47 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 3g2x h MET 22 CO -0.34 0.50 0.49 0.78 1.06 0.00 0.00 176.91 179.41 3g2x h GLY 23 N 0.78 1.16 1.40 8.32 0.00 0.14 0.30 103.07 115.16 3g2x h GLY 23 Ca 0.39 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 3g2x h GLY 23 CO -0.16 0.46 0.03 3.21 0.00 0.00 0.00 176.54 180.08 3g2x h ARG 24 N 1.10 0.74 -0.19 4.80 3.08 -0.64 0.03 114.38 123.29 3g2x h ARG 24 Ca 0.29 -0.18 -0.12 0.00 0.07 0.00 0.00 59.98 60.04 3g2x h ARG 24 Cb -0.06 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.89 3g2x h ARG 24 CO -0.06 0.73 -0.35 0.82 -1.07 0.00 0.00 179.97 180.05 3g2x h ILE 25 N 0.70 1.33 -0.86 2.04 2.04 -1.19 -2.92 117.51 118.66 3g2x h ILE 25 Ca 0.14 -1.58 0.03 0.00 1.00 0.00 0.00 64.86 64.46 3g2x h ILE 25 Cb 0.39 1.87 -0.05 0.00 -0.74 0.00 0.00 36.82 38.30 3g2x h ILE 25 CO 0.01 0.49 0.56 -0.08 0.00 0.00 0.00 178.15 179.13 3g2x h GLU 26 N 0.24 1.05 0.00 2.37 4.81 -0.54 -1.84 114.58 120.67 3g2x h GLU 26 Ca 0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3g2x h GLU 26 Cb 0.94 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.09 3g2x h GLU 26 CO 0.08 0.69 0.00 0.87 -0.73 0.00 0.00 179.01 179.92 3g2x h LYS 27 N 1.08 0.00 -0.00 1.92 1.57 -0.97 -0.31 116.57 119.85 3g2x h LYS 27 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 3g2x h LYS 27 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3g2x h LYS 27 CO -0.10 0.00 -0.02 1.17 -0.57 0.00 0.00 179.45 179.94 3g2x n LYS 28 N -3.00 0.80 -2.48 3.15 0.00 -0.71 -4.89 118.16 111.04 3g2x n LYS 28 Ca 0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 58.31 58.20 3g2x n LYS 28 Cb 0.38 -1.50 0.01 0.00 0.00 0.00 0.00 35.03 33.92 3g2x n LYS 28 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3g2x n ASN 29 N -1.02 -2.53 -4.75 3.14 5.15 -0.13 -5.04 115.26 110.08 3g2x n ASN 29 Ca 0.19 -0.07 -0.36 0.00 -0.60 0.00 0.00 54.58 53.74 3g2x n ASN 29 Cb 0.19 -1.39 -0.07 0.00 -0.53 0.00 0.00 39.78 37.98 3g2x n ASN 29 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3g2x s PHE 30 N -2.74 3.48 -0.07 1.20 0.40 -1.11 -4.90 117.98 114.24 3g2x s PHE 30 Ca 0.07 0.55 -0.18 0.00 -0.60 0.00 0.00 56.93 56.77 3g2x s PHE 30 Cb -0.03 -2.25 -0.05 0.00 0.51 0.00 0.00 43.02 41.20 3g2x s PHE 30 CO 0.09 0.33 0.48 0.15 0.70 0.00 0.00 175.22 176.97 3g2x s LYS 31 N 0.20 4.26 0.18 0.44 -0.14 -0.53 -4.47 119.74 119.67 3g2x s LYS 31 Ca 0.15 0.49 -0.30 0.00 -1.36 0.00 0.00 55.97 54.95 3g2x s LYS 31 Cb -0.13 -3.38 -0.08 0.00 -1.68 0.00 0.00 37.83 32.57 3g2x s LYS 31 CO 0.03 0.30 1.19 0.42 -0.76 0.00 0.00 175.35 176.54 3g2x s ILE 32 N 0.13 3.59 -0.07 2.17 1.01 -1.26 -0.36 121.20 126.39 3g2x s ILE 32 Ca 0.26 1.33 -0.01 0.00 0.00 0.00 0.00 60.65 62.24 3g2x s ILE 32 Cb -0.16 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 3g2x s ILE 32 CO 0.12 0.21 -0.08 0.52 0.00 0.00 0.00 174.94 175.72 3g2x n VAL 33 N 2.51 0.42 -3.76 2.92 0.31 -0.34 -4.94 118.33 115.45 3g2x n VAL 33 Ca 0.04 -0.14 -0.10 0.00 -0.01 0.00 0.00 64.34 64.13 3g2x n VAL 33 Cb 0.45 -1.02 -0.05 0.00 -0.91 0.00 0.00 33.84 32.31 3g2x n VAL 33 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3g2x s SER 34 N -5.01 -0.12 -0.32 4.52 1.04 -1.25 -4.97 113.70 107.59 3g2x s SER 34 Ca -0.10 -0.51 0.01 0.00 0.48 0.00 0.00 55.95 55.82 3g2x s SER 34 Cb 0.03 0.46 0.19 0.00 0.10 0.00 0.00 66.02 66.80 3g2x s SER 34 CO 0.16 -0.87 0.75 -0.32 0.98 0.00 0.00 173.24 173.94 3g2x s MET 35 N -3.86 0.48 0.35 4.02 0.00 -1.25 -1.38 119.30 117.65 3g2x s MET 35 Ca 0.07 0.20 -0.12 0.00 0.00 0.00 0.00 55.69 55.84 3g2x s MET 35 Cb 0.02 0.15 -0.08 0.00 0.00 0.00 0.00 34.83 34.92 3g2x s MET 35 CO -0.08 -0.81 0.72 0.15 0.00 0.00 0.00 175.02 175.00 3g2x s LYS 36 N 2.54 3.87 -0.22 4.11 1.02 -0.95 -4.91 119.74 125.19 3g2x s LYS 36 Ca 0.16 0.51 0.01 0.00 0.02 0.00 0.00 55.97 56.68 3g2x s LYS 36 Cb -0.05 -2.45 0.04 0.00 -0.52 0.00 0.00 37.83 34.85 3g2x s LYS 36 CO -0.20 0.10 -0.14 0.12 -0.92 0.00 0.00 175.35 174.31 3g2x s PHE 37 N -2.13 3.01 -0.26 3.18 5.36 -1.26 -1.57 117.98 124.31 3g2x s PHE 37 Ca 0.52 -1.89 -0.10 0.00 -0.96 0.00 0.00 56.93 54.51 3g2x s PHE 37 Cb -0.10 -1.95 -0.04 0.00 -0.34 0.00 0.00 43.02 40.59 3g2x s PHE 37 CO 0.24 -0.82 0.14 -1.58 -1.46 0.00 0.00 175.22 171.74 3g2x s TRP 38 N 1.23 3.18 0.44 10.12 0.52 -0.45 -4.97 118.94 129.01 3g2x s TRP 38 Ca -0.01 -0.05 0.12 0.00 0.02 0.00 0.00 56.10 56.18 3g2x s TRP 38 Cb -0.16 -2.31 0.99 0.00 -1.15 0.00 0.00 33.47 30.84 3g2x s TRP 38 CO -0.09 -0.19 2.03 0.66 0.02 0.00 0.00 176.95 179.38 3g2x h SER 39 N 8.18 0.15 -1.30 2.95 4.64 -1.93 -1.18 113.55 125.08 3g2x h SER 39 Ca -0.36 -0.02 0.13 0.00 -0.47 0.00 0.00 61.79 61.07 3g2x h SER 39 Cb 1.18 -0.04 -0.21 0.00 -0.31 0.00 0.00 62.40 63.02 3g2x h SER 39 CO 0.57 0.22 -0.04 -1.59 -0.87 0.00 0.00 176.83 175.12 3g2x s LYS 40 N -4.95 0.45 0.19 4.77 -2.85 -1.26 -2.80 119.74 113.29 3g2x s LYS 40 Ca -0.05 1.02 -0.32 0.00 -1.00 0.00 0.00 55.97 55.62 3g2x s LYS 40 Cb 0.16 0.60 -0.16 0.00 -2.06 0.00 0.00 37.83 36.38 3g2x s LYS 40 CO 0.71 -0.27 1.05 0.00 0.10 0.00 0.00 175.35 176.93 3g2x n ALA 41 N 5.32 -1.14 -1.75 0.59 0.00 -1.26 -4.89 120.51 117.38 3g2x n ALA 41 Ca -0.08 0.46 -0.42 0.00 0.00 0.00 0.00 53.44 53.40 3g2x n ALA 41 Cb 0.51 -1.95 -0.01 0.00 0.00 0.00 0.00 19.45 18.00 3g2x n ALA 41 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3g2x n PRO 42 N 1.45 2.60 0.30 0.00 -0.02 -1.26 -4.83 135.00 133.24 3g2x n PRO 42 Ca 0.15 0.92 0.15 0.00 -2.02 0.00 0.00 63.50 62.70 3g2x n PRO 42 Cb 0.25 -2.65 0.76 0.00 -0.02 0.00 0.00 33.50 31.84 3g2x n PRO 42 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3g2x h ARG 43 N 3.65 0.00 0.00 -0.52 2.43 -1.96 -1.96 114.38 116.02 3g2x h ARG 43 Ca -0.49 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.52 3g2x h ARG 43 Cb 1.24 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 3g2x h ARG 43 CO 0.70 0.00 -1.10 -0.91 -1.51 0.00 0.00 179.97 177.15 3g2x h ASN 44 N 0.00 0.00 0.04 -3.80 -0.26 -2.00 -2.74 115.58 106.83 3g2x h ASN 44 Ca 0.03 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.77 3g2x h ASN 44 Cb 0.82 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.08 3g2x h ASN 44 CO -0.00 0.62 -0.02 -0.07 -1.06 0.00 0.00 177.43 176.90 3g2x h LEU 45 N 0.00 -0.05 -0.55 1.61 -0.00 -1.73 -1.02 115.31 113.56 3g2x h LEU 45 Ca -0.11 -0.07 0.09 0.00 -0.00 0.00 0.00 57.88 57.79 3g2x h LEU 45 Cb 1.56 0.01 -0.11 0.00 -0.00 0.00 0.00 40.66 42.13 3g2x h LEU 45 CO 0.06 0.04 -0.37 0.40 -0.00 0.00 0.00 178.44 178.57 3g2x h ILE 46 N -0.14 0.14 -0.14 1.22 1.08 -1.62 0.56 117.51 118.62 3g2x h ILE 46 Ca -0.01 0.00 -0.15 0.00 -0.39 0.00 0.00 64.86 64.31 3g2x h ILE 46 Cb 0.12 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.01 3g2x h ILE 46 CO 0.01 0.00 -0.55 -0.33 -0.69 0.00 0.00 178.15 176.59 3g2x h GLU 47 N -0.21 0.42 -0.00 2.37 5.08 -1.39 -1.70 114.58 119.15 3g2x h GLU 47 Ca 0.20 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 3g2x h GLU 47 Cb 0.56 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 3g2x h GLU 47 CO -0.66 0.86 -0.56 0.37 -1.00 0.00 0.00 179.01 178.02 3g2x h GLN 48 N 0.32 0.01 -0.41 2.33 5.75 -0.65 -2.29 115.11 120.17 3g2x h GLN 48 Ca 0.00 -0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.42 3g2x h GLN 48 Cb 1.07 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.60 3g2x h GLN 48 CO 0.10 0.56 -0.07 1.25 -2.65 0.00 0.00 178.83 178.02 3g2x h HIS 49 N 0.01 0.75 -0.72 3.99 2.76 0.92 -2.94 115.15 119.91 3g2x h HIS 49 Ca -0.01 -0.12 -0.38 0.00 -2.20 0.00 0.00 60.37 57.67 3g2x h HIS 49 Cb 0.99 -0.20 -0.23 0.00 1.55 0.00 0.00 27.41 29.52 3g2x h HIS 49 CO 0.00 0.75 0.33 0.66 -1.30 0.00 0.00 177.93 178.37 3g2x n TYR 50 N -4.19 2.23 -0.40 5.26 0.53 -0.72 -4.78 117.16 115.10 3g2x n TYR 50 Ca 0.02 -1.78 0.32 0.00 -1.02 0.00 0.00 57.90 55.43 3g2x n TYR 50 Cb 0.33 -0.76 0.60 0.00 -1.03 0.00 0.00 39.34 38.47 3g2x n TYR 50 CO 0.00 0.00 0.00 1.57 -1.02 0.00 0.00 176.86 177.41 3g2x h LYS 51 N 1.03 0.18 0.00 -0.72 2.10 -1.23 0.99 116.57 118.93 3g2x h LYS 51 Ca 0.46 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 3g2x h LYS 51 Cb 2.30 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 33.59 3g2x h LYS 51 CO 0.81 0.12 0.00 0.39 -2.00 0.00 0.00 179.45 178.77 3g2x n GLU 52 N -4.70 0.89 -0.00 0.07 1.02 -1.26 -3.34 120.64 113.32 3g2x n GLU 52 Ca 0.33 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.48 3g2x n GLU 52 Cb 1.23 -1.42 0.01 0.00 -0.02 0.00 0.00 31.44 31.24 3g2x n GLU 52 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3g2x n HIS 53 N -0.92 0.01 0.08 -0.32 8.25 0.34 -4.83 115.22 117.82 3g2x n HIS 53 Ca 0.18 -0.06 0.21 0.00 -0.26 0.00 0.00 57.72 57.78 3g2x n HIS 53 Cb 0.08 -0.01 0.74 0.00 1.12 0.00 0.00 29.99 31.93 3g2x n HIS 53 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3g2x h SER 54 N 0.32 0.00 -0.12 0.41 4.64 -1.55 -2.53 113.55 114.72 3g2x h SER 54 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g2x h SER 54 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3g2x h SER 54 CO 0.00 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.12 3g2x n GLU 55 N -3.75 1.32 -2.43 4.77 0.00 -1.26 -4.87 120.64 114.42 3g2x n GLU 55 Ca 0.08 -1.47 -0.34 0.00 0.00 0.00 0.00 57.16 55.43 3g2x n GLU 55 Cb 0.64 -1.24 -0.02 0.00 0.00 0.00 0.00 31.44 30.82 3g2x n GLU 55 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 3g2x s GLN 56 N -0.98 3.62 0.41 3.44 -1.52 -0.95 -4.93 119.66 118.75 3g2x s GLN 56 Ca 0.17 1.46 0.20 0.00 -1.95 0.00 0.00 55.36 55.24 3g2x s GLN 56 Cb 0.11 -2.06 1.15 0.00 -0.22 0.00 0.00 33.01 31.98 3g2x s GLN 56 CO 0.15 -0.60 1.76 0.66 -0.25 0.00 0.00 175.29 177.01 3g2x h SER 57 N 1.42 0.41 1.37 5.90 4.64 -1.95 -1.80 113.55 123.54 3g2x h SER 57 Ca -0.50 0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 60.83 3g2x h SER 57 Cb 1.24 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 3g2x h SER 57 CO 0.58 0.06 -0.66 0.10 -0.87 0.00 0.00 176.83 176.04 3g2x h TYR 58 N 0.35 0.00 -0.81 4.77 -0.00 -1.93 -3.41 116.97 115.94 3g2x h TYR 58 Ca 0.61 0.00 0.11 0.00 0.00 0.00 0.00 58.73 59.45 3g2x h TYR 58 Cb 1.62 0.00 -0.12 0.00 0.00 0.00 0.00 36.73 38.23 3g2x h TYR 58 CO -0.00 0.33 -0.37 0.34 -0.00 0.00 0.00 178.16 178.45 3g2x n PHE 59 N -3.04 -0.11 0.02 0.10 -0.00 -0.68 -0.23 117.46 113.52 3g2x n PHE 59 Ca -0.00 1.00 -0.11 0.00 -0.00 0.00 0.00 57.45 58.34 3g2x n PHE 59 Cb 0.68 -0.72 -0.06 0.00 -0.00 0.00 0.00 39.48 39.38 3g2x n PHE 59 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 3g2x h ASN 60 N 0.00 0.02 -0.61 -2.13 2.35 -1.81 -2.06 115.58 111.34 3g2x h ASN 60 Ca 0.23 0.01 0.11 0.00 -0.55 0.00 0.00 56.30 56.10 3g2x h ASN 60 Cb 0.43 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.72 3g2x h ASN 60 CO -0.79 0.02 0.15 0.44 -1.65 0.00 0.00 177.43 175.60 3g2x h ASP 61 N 0.04 0.04 -0.24 5.81 3.32 -0.89 -2.55 116.42 121.94 3g2x h ASP 61 Ca 0.02 0.11 0.05 0.00 0.02 0.00 0.00 57.03 57.23 3g2x h ASP 61 Cb 0.01 0.14 -0.08 0.00 0.22 0.00 0.00 39.33 39.62 3g2x h ASP 61 CO -0.02 0.03 -0.44 0.25 -1.72 0.00 0.00 179.24 177.34 3g2x h LEU 62 N 0.28 -1.41 -0.35 1.55 5.85 -0.08 -2.87 115.31 118.28 3g2x h LEU 62 Ca 0.32 0.20 -0.08 0.00 0.84 0.00 0.00 57.88 59.16 3g2x h LEU 62 Cb 0.47 0.59 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 3g2x h LEU 62 CO -0.39 -0.41 -0.08 0.00 -0.34 0.00 0.00 178.44 177.21 3g2x h ASP 64 N 0.46 0.00 0.01 0.00 3.32 -1.42 0.08 116.42 118.87 3g2x h ASP 64 Ca 0.09 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 3g2x h ASP 64 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3g2x h ASP 64 CO 0.03 0.00 -0.00 0.15 -1.72 0.00 0.00 179.24 177.70 3g2x h PHE 65 N 0.00 -0.01 0.00 4.55 3.04 -1.22 -3.18 116.94 120.12 3g2x h PHE 65 Ca 0.12 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.07 3g2x h PHE 65 Cb 0.52 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.04 3g2x h PHE 65 CO 0.00 0.65 0.00 -1.33 -2.02 0.00 0.00 178.31 175.61 3g2x n MET 66 N -4.78 0.14 -0.09 1.11 2.81 -0.02 -0.66 117.12 115.64 3g2x n MET 66 Ca -0.09 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.82 3g2x n MET 66 Cb 0.33 -1.28 0.02 0.00 -0.71 0.00 0.00 33.22 31.58 3g2x n MET 66 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 3g2x n VAL 67 N -0.78 0.68 1.29 2.03 0.24 -1.01 -4.50 118.33 116.28 3g2x n VAL 67 Ca 0.02 -0.74 0.14 0.00 -2.04 0.00 0.00 64.34 61.71 3g2x n VAL 67 Cb 0.01 0.53 0.52 0.00 -1.47 0.00 0.00 33.84 33.43 3g2x n VAL 67 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3g2x n SER 68 N -0.42 0.54 -3.59 -1.34 3.41 0.17 -4.92 113.62 107.47 3g2x n SER 68 Ca 0.03 -0.51 -0.01 0.00 -0.26 0.00 0.00 58.87 58.12 3g2x n SER 68 Cb 0.47 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3g2x n SER 68 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3g2x s GLY 69 N -2.58 -0.13 1.04 5.00 0.00 -1.26 -5.09 107.32 104.30 3g2x s GLY 69 Ca 0.25 0.07 -0.13 0.00 0.00 0.00 0.00 44.72 44.91 3g2x s GLY 69 CO 0.51 1.85 0.78 -1.05 0.00 0.00 0.00 173.10 175.20 3g2x n PRO 70 N -0.63 -1.28 -3.82 2.90 -0.02 -1.12 -4.57 135.00 126.46 3g2x n PRO 70 Ca -0.04 -0.33 -0.12 0.00 -2.02 0.00 0.00 63.50 60.99 3g2x n PRO 70 Cb 0.60 -2.10 -0.12 0.00 -0.02 0.00 0.00 33.50 31.86 3g2x n PRO 70 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3g2x s ILE 71 N -2.45 0.01 -0.08 4.25 1.01 -0.44 -3.34 121.20 120.15 3g2x s ILE 71 Ca 0.64 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 61.26 3g2x s ILE 71 Cb -0.22 -0.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.97 3g2x s ILE 71 CO 0.63 -0.02 -0.10 -0.63 0.00 0.00 0.00 174.94 174.82 3g2x s ILE 72 N -0.00 3.37 -0.20 2.92 1.01 -1.09 -1.35 121.20 125.87 3g2x s ILE 72 Ca -0.01 -0.59 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 3g2x s ILE 72 Cb -0.02 -2.37 -0.01 0.00 0.01 0.00 0.00 42.46 40.07 3g2x s ILE 72 CO 0.00 0.57 -0.08 -0.44 0.00 0.00 0.00 174.94 175.00 3g2x s SER 73 N -0.47 4.11 0.10 3.58 0.01 -0.61 -0.31 113.70 120.13 3g2x s SER 73 Ca 0.06 -0.41 0.09 0.00 1.31 0.00 0.00 55.95 57.01 3g2x s SER 73 Cb -0.12 -1.69 -0.04 0.00 0.21 0.00 0.00 66.02 64.39 3g2x s SER 73 CO 0.02 0.02 -0.20 -0.63 0.41 0.00 0.00 173.24 172.86 3g2x s ILE 74 N 1.24 2.71 -0.55 1.44 1.09 -0.01 -2.25 121.20 124.87 3g2x s ILE 74 Ca 0.03 -1.49 -0.06 0.00 -1.10 0.00 0.00 60.65 58.03 3g2x s ILE 74 Cb -0.14 -2.21 0.14 0.00 -1.06 0.00 0.00 42.46 39.19 3g2x s ILE 74 CO -0.03 0.15 0.39 -0.69 -0.10 0.00 0.00 174.94 174.66 3g2x s VAL 75 N -1.08 3.92 0.81 2.92 1.01 -0.48 -1.27 120.40 126.22 3g2x s VAL 75 Ca 0.16 -2.40 -0.12 0.00 0.00 0.00 0.00 61.98 59.63 3g2x s VAL 75 Cb -0.10 -3.57 0.07 0.00 0.00 0.00 0.00 36.38 32.78 3g2x s VAL 75 CO 0.08 -0.82 1.10 -0.31 0.00 0.00 0.00 175.10 175.15 3g2x s TYR 76 N 0.61 2.82 -0.18 5.22 1.51 -0.77 -1.20 117.35 125.36 3g2x s TYR 76 Ca 0.12 1.11 -0.09 0.00 -1.01 0.00 0.00 57.07 57.20 3g2x s TYR 76 Cb -0.21 -3.15 0.06 0.00 -0.11 0.00 0.00 41.96 38.55 3g2x s TYR 76 CO -0.03 -1.81 0.42 -2.00 -1.11 0.00 0.00 175.55 171.02 3g2x s GLU 77 N -5.18 0.40 -0.06 -0.62 2.12 0.51 -2.52 118.70 113.35 3g2x s GLU 77 Ca 0.61 0.82 -0.32 0.00 0.36 0.00 0.00 54.97 56.44 3g2x s GLU 77 Cb -0.14 -0.00 0.13 0.00 0.26 0.00 0.00 34.13 34.38 3g2x s GLU 77 CO 0.54 -0.16 1.32 0.20 -0.54 0.00 0.00 175.26 176.62 3g2x s GLY 78 N 1.48 -0.42 -0.20 -1.50 0.00 -1.11 -1.45 107.32 104.11 3g2x s GLY 78 Ca -0.09 0.86 -0.36 0.00 0.00 0.00 0.00 44.72 45.13 3g2x s GLY 78 CO -0.13 0.18 1.89 2.41 0.00 0.00 0.00 173.10 177.45 3g2x n THR 79 N -0.45 0.43 -3.71 0.90 -1.04 -1.26 -1.95 114.28 107.19 3g2x n THR 79 Ca -0.08 -0.12 -0.27 0.00 -2.04 0.00 0.00 64.05 61.54 3g2x n THR 79 Cb 0.63 -1.64 0.04 0.00 -1.82 0.00 0.00 70.33 67.54 3g2x n THR 79 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3g2x n ASP 80 N 6.85 -5.36 -0.18 8.00 10.43 -1.26 -4.88 116.55 130.14 3g2x n ASP 80 Ca 0.27 -0.64 -0.02 0.00 2.57 0.00 0.00 54.79 56.97 3g2x n ASP 80 Cb 0.23 -4.27 0.19 0.00 1.84 0.00 0.00 41.12 39.11 3g2x n ASP 80 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3g2x h ALA 81 N 0.99 1.27 0.67 2.24 0.00 -1.58 -2.72 119.26 120.12 3g2x h ALA 81 Ca -0.56 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 3g2x h ALA 81 Cb 1.37 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3g2x h ALA 81 CO 0.62 0.55 -0.42 0.82 0.00 0.00 0.00 179.25 180.82 3g2x h ILE 82 N 0.93 0.00 -0.07 0.00 2.04 -1.86 -0.37 117.51 118.18 3g2x h ILE 82 Ca 0.22 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.08 3g2x h ILE 82 Cb 0.15 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.22 3g2x h ILE 82 CO -0.02 0.00 0.04 0.77 0.00 0.00 0.00 178.15 178.94 3g2x h SER 83 N -1.03 0.09 -0.75 1.72 4.64 -1.87 -2.48 113.55 113.87 3g2x h SER 83 Ca -0.09 -0.06 0.08 0.00 -0.47 0.00 0.00 61.79 61.25 3g2x h SER 83 Cb 0.83 -0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 62.83 3g2x h SER 83 CO 0.08 0.13 0.41 0.11 -0.87 0.00 0.00 176.83 176.69 3g2x h LYS 84 N 0.04 0.69 0.00 4.77 1.57 -1.46 -0.58 116.57 121.60 3g2x h LYS 84 Ca 0.03 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 3g2x h LYS 84 Cb 0.06 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3g2x h LYS 84 CO -0.00 0.46 -0.36 0.82 -0.57 0.00 0.00 179.45 179.79 3g2x h ILE 85 N 0.71 0.99 -0.18 1.86 2.04 -0.92 -2.18 117.51 119.84 3g2x h ILE 85 Ca 0.36 -1.36 -0.04 0.00 1.00 0.00 0.00 64.86 64.82 3g2x h ILE 85 Cb 0.32 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 3g2x h ILE 85 CO -0.24 0.35 -0.04 0.03 0.00 0.00 0.00 178.15 178.26 3g2x h ARG 86 N 0.00 0.34 -1.00 2.37 2.47 -0.72 -0.89 114.38 116.95 3g2x h ARG 86 Ca -0.00 -0.13 0.19 0.00 -1.26 0.00 0.00 59.98 58.78 3g2x h ARG 86 Cb 0.77 -0.02 -0.10 0.00 -1.65 0.00 0.00 29.97 28.96 3g2x h ARG 86 CO 0.05 0.60 0.61 0.00 0.56 0.00 0.00 179.97 181.79 3g2x h ARG 87 N 0.05 0.71 0.00 0.04 3.08 -0.59 0.24 114.38 117.91 3g2x h ARG 87 Ca 0.04 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 3g2x h ARG 87 Cb 0.47 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3g2x h ARG 87 CO 0.02 0.47 -0.69 -0.07 -1.07 0.00 0.00 179.97 178.63 3g2x h LEU 88 N 0.73 0.00 -0.22 3.04 3.38 -1.21 -3.18 115.31 117.85 3g2x h LEU 88 Ca 0.57 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.55 3g2x h LEU 88 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 3g2x h LEU 88 CO -0.36 0.69 0.12 -0.61 0.09 0.00 0.00 178.44 178.38 3g2x h GLN 89 N 0.00 0.25 0.00 1.13 4.15 0.90 0.20 115.11 121.74 3g2x h GLN 89 Ca -0.01 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3g2x h GLN 89 Cb 1.24 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.87 3g2x h GLN 89 CO 0.09 0.17 0.00 0.41 -1.93 0.00 0.00 178.83 177.57 3g2x n GLY 90 N -1.16 -0.78 3.41 2.39 0.00 -0.68 -1.75 105.19 106.62 3g2x n GLY 90 Ca -0.03 -1.39 -0.44 0.00 0.00 0.00 0.00 46.02 44.17 3g2x n GLY 90 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3g2x n ASN 91 N -0.67 -1.31 -0.11 1.61 2.85 -1.26 -4.83 115.26 111.54 3g2x n ASN 91 Ca 0.00 0.99 0.12 0.00 -0.11 0.00 0.00 54.58 55.58 3g2x n ASN 91 Cb 0.00 -1.01 0.49 0.00 1.24 0.00 0.00 39.78 40.49 3g2x n ASN 91 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 3g2x h THR 92 N 0.87 0.89 -3.61 -0.44 2.02 -1.96 -3.39 112.91 107.29 3g2x h THR 92 Ca -0.35 -0.15 -0.63 0.00 0.77 0.00 0.00 66.41 66.05 3g2x h THR 92 Cb 1.42 0.41 -0.13 0.00 -1.74 0.00 0.00 68.15 68.11 3g2x h THR 92 CO 0.53 0.08 0.31 0.21 0.37 0.00 0.00 175.52 177.02 3g2x s ASN 93 N -6.18 6.41 0.00 4.18 2.47 -1.26 -4.75 114.94 115.80 3g2x s ASN 93 Ca -0.08 -0.10 0.00 0.00 0.42 0.00 0.00 52.86 53.10 3g2x s ASN 93 Cb 0.20 -2.37 0.00 0.00 -1.45 0.00 0.00 41.25 37.62 3g2x s ASN 93 CO 0.75 -0.87 0.71 -0.81 -3.72 0.00 0.00 177.10 173.17 3g2x n PRO 94 N 6.60 0.00 -0.26 0.43 -0.04 -1.26 0.12 135.00 140.59 3g2x n PRO 94 Ca 0.02 0.24 0.09 0.00 -0.04 0.00 0.00 63.50 63.80 3g2x n PRO 94 Cb 0.48 -1.71 0.23 0.00 -0.04 0.00 0.00 33.50 32.46 3g2x n PRO 94 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3g2x n LEU 95 N -1.21 3.39 0.00 1.53 4.77 -1.26 -4.48 117.00 119.74 3g2x n LEU 95 Ca 0.00 -1.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.07 3g2x n LEU 95 Cb 0.21 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3g2x n LEU 95 CO 0.00 0.83 -0.02 0.00 -1.33 0.00 0.00 177.39 176.87 3g2x n ALA 96 N 1.10 0.31 -2.61 -1.18 0.00 0.33 -5.07 120.51 113.40 3g2x n ALA 96 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.19 3g2x n ALA 96 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 3g2x n ALA 96 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3g2x s SER 97 N -0.21 6.99 0.32 0.00 1.04 -0.88 -4.77 113.70 116.20 3g2x s SER 97 Ca 0.00 1.29 -0.29 0.00 0.48 0.00 0.00 55.95 57.43 3g2x s SER 97 Cb 0.00 -2.54 -0.11 0.00 0.10 0.00 0.00 66.02 63.47 3g2x s SER 97 CO 0.00 -0.78 1.43 0.00 0.98 0.00 0.00 173.24 174.86 3g2x s ALA 98 N 3.48 3.58 0.51 5.32 0.00 -1.26 -4.36 121.76 129.03 3g2x s ALA 98 Ca 0.47 1.41 -0.23 0.00 0.00 0.00 0.00 51.96 53.61 3g2x s ALA 98 Cb -0.15 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.35 3g2x s ALA 98 CO 0.12 -0.83 1.31 -2.14 0.00 0.00 0.00 175.76 174.21 3g2x s PRO 99 N -1.37 3.41 0.00 0.00 0.02 -1.26 -2.24 135.00 133.55 3g2x s PRO 99 Ca 0.54 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.68 3g2x s PRO 99 Cb -0.43 -2.36 0.00 0.00 0.02 0.00 0.00 34.50 31.72 3g2x s PRO 99 CO 0.53 -0.94 0.00 0.41 -0.33 0.00 0.00 177.00 176.67 3g2x n GLY 100 N 0.63 2.55 3.98 0.52 0.00 -1.26 -4.96 105.19 106.65 3g2x n GLY 100 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 3g2x n GLY 100 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g2x s THR 101 N -2.51 4.30 0.09 2.61 -4.23 -0.95 -4.94 115.64 110.01 3g2x s THR 101 Ca 0.00 -0.85 -0.30 0.00 -1.18 0.00 0.00 61.69 59.35 3g2x s THR 101 Cb 0.00 -3.52 -0.14 0.00 1.34 0.00 0.00 72.50 70.18 3g2x s THR 101 CO 0.00 -0.24 1.63 0.40 -0.54 0.00 0.00 174.62 175.87 3g2x h ILE 102 N 0.81 0.38 -0.41 2.99 2.04 -0.66 0.25 117.51 122.91 3g2x h ILE 102 Ca -0.47 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.32 3g2x h ILE 102 Cb 1.25 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3g2x h ILE 102 CO 0.55 0.00 -0.03 0.03 0.00 0.00 0.00 178.15 178.71 3g2x h ARG 103 N -0.68 0.74 -0.63 2.37 3.08 -1.55 0.17 114.38 117.89 3g2x h ARG 103 Ca -0.03 -0.25 0.08 0.00 0.07 0.00 0.00 59.98 59.85 3g2x h ARG 103 Cb 0.59 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 3g2x h ARG 103 CO -0.01 0.84 0.41 0.78 -1.07 0.00 0.00 179.97 180.92 3g2x h GLY 104 N 0.56 0.73 0.90 0.04 0.00 -1.60 0.15 103.07 103.85 3g2x h GLY 104 Ca 0.11 -0.22 -0.31 0.00 0.00 0.00 0.00 47.33 46.90 3g2x h GLY 104 CO 0.03 0.16 -1.78 -0.55 0.00 0.00 0.00 176.54 174.40 3g2x h ASP 105 N 0.56 0.14 0.00 0.19 3.32 -0.16 -3.41 116.42 117.06 3g2x h ASP 105 Ca 0.28 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3g2x h ASP 105 Cb 0.37 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3g2x h ASP 105 CO -0.08 1.27 -0.91 0.18 -1.72 0.00 0.00 179.24 177.98 3g2x n LEU 106 N -3.19 0.00 -4.90 1.55 4.77 0.57 -5.05 117.00 110.75 3g2x n LEU 106 Ca -0.21 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.43 3g2x n LEU 106 Cb 1.05 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.09 3g2x n LEU 106 CO 0.45 0.00 -0.16 0.00 -1.33 0.00 0.00 177.39 176.35 3g2x s ALA 107 N -1.85 3.95 -0.16 -1.18 0.00 0.49 -5.01 121.76 118.01 3g2x s ALA 107 Ca 0.00 -0.75 0.24 0.00 0.00 0.00 0.00 51.96 51.45 3g2x s ALA 107 Cb 0.00 -1.89 0.47 0.00 0.00 0.00 0.00 23.12 21.70 3g2x s ALA 107 CO 0.00 0.74 1.14 -1.71 0.00 0.00 0.00 175.76 175.93 3g2x n ASN 108 N 1.03 1.27 -3.65 0.00 5.15 -1.26 -4.74 115.26 113.05 3g2x n ASN 108 Ca -0.12 -2.02 -0.15 0.00 -0.60 0.00 0.00 54.58 51.70 3g2x n ASN 108 Cb 0.53 -0.38 -0.07 0.00 -0.53 0.00 0.00 39.78 39.32 3g2x n ASN 108 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3g2x s ASP 109 N -3.03 -0.43 0.46 1.20 -1.08 -1.26 -5.03 116.67 107.49 3g2x s ASP 109 Ca 0.29 0.46 0.26 0.00 -0.52 0.00 0.00 52.55 53.04 3g2x s ASP 109 Cb 0.35 0.49 0.79 0.00 -1.46 0.00 0.00 42.92 43.09 3g2x s ASP 109 CO -0.09 -0.50 1.77 -0.29 0.52 0.00 0.00 175.17 176.58 3g2x h ILE 110 N 3.52 0.24 0.00 4.11 6.09 -1.98 -3.38 117.51 126.10 3g2x h ILE 110 Ca -0.28 -1.01 0.00 0.00 -1.37 0.00 0.00 64.86 62.20 3g2x h ILE 110 Cb 1.16 1.83 0.00 0.00 0.47 0.00 0.00 36.82 40.28 3g2x h ILE 110 CO 0.37 0.11 -0.54 -1.14 -3.07 0.00 0.00 178.15 173.88 3g2x n ARG 111 N -3.18 0.29 -1.92 2.19 0.63 -1.26 -4.69 116.66 108.70 3g2x n ARG 111 Ca 0.02 0.11 -0.28 0.00 -0.92 0.00 0.00 57.85 56.78 3g2x n ARG 111 Cb 0.45 -0.98 -0.07 0.00 0.45 0.00 0.00 32.46 32.32 3g2x n ARG 111 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3g2x n GLU 112 N -3.65 1.43 -0.58 -0.14 1.02 -1.26 -4.65 120.64 112.82 3g2x n GLU 112 Ca -0.08 -2.33 0.04 0.00 -0.02 0.00 0.00 57.16 54.77 3g2x n GLU 112 Cb 0.28 -3.67 0.20 0.00 -0.02 0.00 0.00 31.44 28.23 3g2x n GLU 112 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3g2x n ASN 113 N 14.30 2.13 0.00 1.62 0.23 -1.26 -4.17 115.26 128.11 3g2x n ASN 113 Ca 0.45 -3.71 0.00 0.00 -0.53 0.00 0.00 54.58 50.79 3g2x n ASN 113 Cb 0.46 -0.55 0.00 0.00 -2.08 0.00 0.00 39.78 37.61 3g2x n ASN 113 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3g2x n LEU 114 N -1.13 0.00 -3.86 -4.53 4.77 -1.26 -4.85 117.00 106.14 3g2x n LEU 114 Ca 0.23 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.09 3g2x n LEU 114 Cb 0.79 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.74 3g2x n LEU 114 CO 0.04 0.00 -0.36 -0.51 -1.33 0.00 0.00 177.39 175.24 3g2x s ILE 115 N 0.00 -0.00 0.04 -0.08 2.07 -1.26 -0.42 121.20 121.54 3g2x s ILE 115 Ca 0.00 0.02 -0.00 0.00 -1.41 0.00 0.00 60.65 59.25 3g2x s ILE 115 Cb 0.00 -0.02 -0.04 0.00 0.13 0.00 0.00 42.46 42.53 3g2x s ILE 115 CO 0.00 0.01 0.16 -2.28 -1.91 0.00 0.00 174.94 170.92 3g2x s HIS 116 N 0.09 3.44 -0.12 3.50 5.65 -0.56 -4.95 115.29 122.34 3g2x s HIS 116 Ca -0.01 0.24 -0.05 0.00 0.25 0.00 0.00 55.06 55.50 3g2x s HIS 116 Cb -0.01 -1.75 0.06 0.00 -1.18 0.00 0.00 32.58 29.70 3g2x s HIS 116 CO -0.00 0.59 0.25 0.00 -0.65 0.00 0.00 174.74 174.93 3g2x s ALA 117 N -1.40 -0.54 0.30 1.58 0.00 -1.26 -2.25 121.76 118.19 3g2x s ALA 117 Ca 0.30 0.93 -0.26 0.00 0.00 0.00 0.00 51.96 52.93 3g2x s ALA 117 Cb -0.13 -0.94 -0.15 0.00 0.00 0.00 0.00 23.12 21.91 3g2x s ALA 117 CO 0.23 -0.55 0.68 0.43 0.00 0.00 0.00 175.76 176.54 3g2x n SER 118 N 5.14 -0.34 0.02 0.00 7.64 -0.68 -4.87 113.62 120.52 3g2x n SER 118 Ca -0.10 1.08 0.11 0.00 1.01 0.00 0.00 58.87 60.97 3g2x n SER 118 Cb 0.50 -1.11 0.01 0.00 -1.01 0.00 0.00 64.21 62.61 3g2x n SER 118 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3g2x n ASP 119 N 1.56 0.61 -3.73 6.43 5.68 -1.26 -4.84 116.55 121.00 3g2x n ASP 119 Ca 0.13 -0.25 -0.05 0.00 -0.50 0.00 0.00 54.79 54.12 3g2x n ASP 119 Cb 0.32 0.83 -0.02 0.00 -1.14 0.00 0.00 41.12 41.11 3g2x n ASP 119 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3g2x s SER 120 N -3.86 -0.23 0.20 -1.12 1.04 -1.26 -4.91 113.70 103.56 3g2x s SER 120 Ca 0.04 -0.38 -0.16 0.00 0.48 0.00 0.00 55.95 55.93 3g2x s SER 120 Cb 0.15 0.53 0.19 0.00 0.10 0.00 0.00 66.02 66.98 3g2x s SER 120 CO 0.81 -0.96 1.62 -0.33 0.98 0.00 0.00 173.24 175.36 3g2x h GLU 121 N 2.00 -0.05 -0.01 4.02 5.08 -1.93 0.55 114.58 124.23 3g2x h GLU 121 Ca -0.23 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.08 3g2x h GLU 121 Cb 1.24 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 3g2x h GLU 121 CO 0.26 -0.03 -0.21 -0.44 -1.00 0.00 0.00 179.01 177.58 3g2x h ASP 122 N -0.05 0.02 1.63 1.42 3.45 -2.00 0.19 116.42 121.08 3g2x h ASP 122 Ca 0.27 -0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.69 3g2x h ASP 122 Cb 0.47 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.23 3g2x h ASP 122 CO -0.62 0.24 -0.38 0.28 -1.57 0.00 0.00 179.24 177.18 3g2x h SER 123 N 0.02 0.00 0.08 6.45 0.02 -1.51 -3.09 113.55 115.52 3g2x h SER 123 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3g2x h SER 123 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3g2x h SER 123 CO 0.03 0.18 -0.04 0.00 -1.14 0.00 0.00 176.83 175.86 3g2x h ALA 124 N 1.82 -0.11 0.14 3.77 0.00 0.29 0.16 119.26 125.32 3g2x h ALA 124 Ca -0.01 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.66 3g2x h ALA 124 Cb 1.15 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3g2x h ALA 124 CO 0.02 -0.27 -0.28 0.28 0.00 0.00 0.00 179.25 179.00 3g2x h VAL 125 N -0.69 0.39 -0.36 0.00 2.07 -1.17 -0.66 116.25 115.83 3g2x h VAL 125 Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 3g2x h VAL 125 Cb 0.55 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 3g2x h VAL 125 CO 0.02 0.00 -0.53 -0.78 0.02 0.00 0.00 177.57 176.30 3g2x h ASP 126 N -0.51 -1.77 0.53 0.57 1.82 -1.58 -2.48 116.42 113.01 3g2x h ASP 126 Ca 0.03 0.23 -0.10 0.00 -0.39 0.00 0.00 57.03 56.80 3g2x h ASP 126 Cb 0.53 0.72 -0.01 0.00 0.68 0.00 0.00 39.33 41.24 3g2x h ASP 126 CO -0.15 -0.40 -0.46 -0.33 -1.61 0.00 0.00 179.24 176.29 3g2x h GLU 127 N -0.40 0.00 0.46 0.28 5.08 -0.76 -3.07 114.58 116.16 3g2x h GLU 127 Ca 0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3g2x h GLU 127 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3g2x h GLU 127 CO -0.55 0.46 -0.22 0.82 -1.00 0.00 0.00 179.01 178.52 3g2x h ILE 128 N 0.00 0.45 -0.67 3.13 2.04 -0.84 -3.06 117.51 118.55 3g2x h ILE 128 Ca -0.00 -0.45 0.16 0.00 1.00 0.00 0.00 64.86 65.57 3g2x h ILE 128 Cb 0.85 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 3g2x h ILE 128 CO 0.06 0.07 0.47 0.77 0.00 0.00 0.00 178.15 179.51 3g2x h SER 129 N -0.91 0.18 0.10 1.72 4.64 -1.43 0.39 113.55 118.23 3g2x h SER 129 Ca -0.06 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 3g2x h SER 129 Cb 0.58 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 3g2x h SER 129 CO 0.10 0.09 -0.14 0.40 -0.87 0.00 0.00 176.83 176.42 3g2x h ILE 130 N 0.19 1.14 0.00 0.95 2.04 -1.49 -3.09 117.51 117.25 3g2x h ILE 130 Ca 0.33 -0.62 -0.15 0.00 1.00 0.00 0.00 64.86 65.41 3g2x h ILE 130 Cb 1.01 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 3g2x h ILE 130 CO -0.06 0.19 -1.72 0.79 0.00 0.00 0.00 178.15 177.35 3g2x n TRP 131 N -4.33 0.00 -3.37 1.37 7.02 0.64 -4.77 117.44 114.01 3g2x n TRP 131 Ca -0.02 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.20 3g2x n TRP 131 Cb 0.24 -0.48 -0.08 0.00 -2.42 0.00 0.00 31.31 28.56 3g2x n TRP 131 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3g2x n PHE 132 N -2.29 0.93 0.96 -5.99 3.72 0.10 -4.97 117.46 109.93 3g2x n PHE 132 Ca -0.14 -3.74 0.08 0.00 -0.05 0.00 0.00 57.45 53.59 3g2x n PHE 132 Cb 0.72 -0.31 0.46 0.00 -0.94 0.00 0.00 39.48 39.41 3g2x n PHE 132 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41