#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 1.40 0.05 2.61 0.52 -1.26 -2.12 118.95 120.15 3g2x s ARG 3 Ca 0.00 -1.22 0.02 0.00 -0.52 0.00 0.00 55.73 54.02 3g2x s ARG 3 Cb 0.00 -1.74 -0.03 0.00 0.52 0.00 0.00 34.95 33.70 3g2x s ARG 3 CO 0.00 0.42 -0.08 -0.08 0.02 0.00 0.00 175.30 175.58 3g2x s THR 4 N -1.01 0.57 -0.20 0.02 -1.32 -0.42 -4.76 115.64 108.53 3g2x s THR 4 Ca 0.11 -1.14 -0.09 0.00 -1.21 0.00 0.00 61.69 59.36 3g2x s THR 4 Cb -0.10 -0.68 -0.05 0.00 -1.51 0.00 0.00 72.50 70.16 3g2x s THR 4 CO 0.04 -0.40 0.10 -0.22 -2.21 0.00 0.00 174.62 171.93 3g2x s LEU 5 N -1.67 4.03 -0.03 9.08 1.98 -1.26 -0.81 118.68 130.00 3g2x s LEU 5 Ca -0.08 0.15 0.07 0.00 -2.89 0.00 0.00 54.13 51.38 3g2x s LEU 5 Cb -0.09 -2.04 -0.02 0.00 0.66 0.00 0.00 46.19 44.70 3g2x s LEU 5 CO 0.00 0.17 -0.25 -0.69 -1.89 0.00 0.00 176.35 173.69 3g2x s VAL 6 N 0.43 2.15 -0.19 1.68 1.01 0.53 -2.08 120.40 123.93 3g2x s VAL 6 Ca 0.06 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 3g2x s VAL 6 Cb -0.12 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.50 3g2x s VAL 6 CO -0.01 0.58 -0.12 -0.76 0.00 0.00 0.00 175.10 174.79 3g2x s LEU 7 N -0.50 2.56 -0.28 3.92 1.43 -0.41 -0.80 118.68 124.59 3g2x s LEU 7 Ca 0.07 -0.49 -0.26 0.00 -1.03 0.00 0.00 54.13 52.42 3g2x s LEU 7 Cb -0.11 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.50 3g2x s LEU 7 CO 0.00 0.02 0.90 -0.63 0.23 0.00 0.00 176.35 176.87 3g2x s ILE 8 N 1.23 4.73 0.54 -0.59 -1.09 -0.48 0.56 121.20 126.09 3g2x s ILE 8 Ca 0.02 1.52 -0.03 0.00 -2.23 0.00 0.00 60.65 59.93 3g2x s ILE 8 Cb -0.14 -4.22 0.01 0.00 -1.58 0.00 0.00 42.46 36.53 3g2x s ILE 8 CO -0.05 -0.25 0.82 -0.54 -1.23 0.00 0.00 174.94 173.69 3g2x s LYS 9 N 3.11 2.89 0.58 2.79 1.02 0.23 -2.05 119.74 128.31 3g2x s LYS 9 Ca 0.37 -0.26 0.28 0.00 0.02 0.00 0.00 55.97 56.38 3g2x s LYS 9 Cb -0.14 -2.39 1.69 0.00 -0.52 0.00 0.00 37.83 36.47 3g2x s LYS 9 CO 0.11 -0.58 2.18 -1.35 -0.92 0.00 0.00 175.35 174.79 3g2x h PRO 10 N 0.02 0.00 0.00 -1.68 0.11 -1.80 -0.60 132.00 128.05 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 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 3g2x h PRO 10 CO 0.59 0.00 -0.55 0.38 -0.21 0.00 0.00 178.00 178.20 3g2x h ASP 11 N 0.00 0.00 -0.80 -2.05 2.03 -1.90 -1.70 116.42 111.99 3g2x h ASP 11 Ca 0.04 0.00 0.09 0.00 -0.73 0.00 0.00 57.03 56.43 3g2x h ASP 11 Cb 0.21 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.65 3g2x h ASP 11 CO -0.00 0.55 0.52 0.00 -1.03 0.00 0.00 179.24 179.29 3g2x h ALA 12 N 1.45 1.73 0.10 4.15 0.00 -1.35 -0.65 119.26 124.68 3g2x h ALA 12 Ca -0.01 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.62 3g2x h ALA 12 Cb 1.07 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.70 3g2x h ALA 12 CO 0.07 0.11 -1.18 0.74 0.00 0.00 0.00 179.25 178.99 3g2x h PHE 13 N 0.77 0.74 -0.73 0.00 -1.00 -1.41 0.11 116.94 115.42 3g2x h PHE 13 Ca 0.37 -0.48 -0.01 0.00 2.81 0.00 0.00 57.97 60.66 3g2x h PHE 13 Cb 0.41 -0.06 -0.03 0.00 3.61 0.00 0.00 35.95 39.88 3g2x h PHE 13 CO -0.00 1.33 0.42 1.49 -1.61 0.00 0.00 178.31 179.94 3g2x h GLU 14 N 0.19 1.00 -0.66 1.51 4.57 -0.91 -3.03 114.58 117.25 3g2x h GLU 14 Ca -0.15 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 3g2x h GLU 14 Cb 1.86 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 30.25 3g2x h GLU 14 CO 0.21 0.73 0.00 0.54 -1.18 0.00 0.00 179.01 179.31 3g2x n ARG 15 N -4.50 2.58 -3.54 1.92 1.74 -0.29 -4.95 116.66 109.63 3g2x n ARG 15 Ca 0.06 -2.39 -0.25 0.00 -0.77 0.00 0.00 57.85 54.50 3g2x n ARG 15 Cb 0.07 -1.53 0.05 0.00 -1.02 0.00 0.00 32.46 30.03 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 1.41 -5.73 -0.81 0.55 7.64 -0.90 -4.89 113.62 110.90 3g2x n SER 16 Ca 0.22 -0.54 0.07 0.00 1.01 0.00 0.00 58.87 59.63 3g2x n SER 16 Cb 0.57 -4.56 0.20 0.00 -1.01 0.00 0.00 64.21 59.41 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 -4.62 3.25 0.27 -3.43 4.77 0.33 -4.67 117.00 112.90 3g2x n LEU 17 Ca -0.01 -2.11 -0.15 0.00 -0.03 0.00 0.00 56.01 53.71 3g2x n LEU 17 Cb 0.56 -0.31 -0.08 0.00 -2.33 0.00 0.00 43.42 41.26 3g2x n LEU 17 CO 0.63 0.77 0.57 0.58 -1.33 0.00 0.00 177.39 178.61 3g2x h VAL 18 N 2.44 0.44 -0.81 4.08 2.07 -1.90 -0.85 116.25 121.73 3g2x h VAL 18 Ca 0.00 -0.29 0.09 0.00 0.82 0.00 0.00 66.70 67.32 3g2x h VAL 18 Cb 0.86 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 31.13 3g2x h VAL 18 CO 0.03 0.05 0.46 0.00 0.02 0.00 0.00 177.57 178.12 3g2x h ALA 19 N -0.49 1.15 0.10 1.67 0.00 -1.94 -0.47 119.26 119.28 3g2x h ALA 19 Ca -0.07 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3g2x h ALA 19 Cb 0.60 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3g2x h ALA 19 CO 0.11 0.08 -0.31 1.49 0.00 0.00 0.00 179.25 180.62 3g2x h GLU 20 N 0.77 -0.50 0.06 0.00 4.57 -1.80 1.08 114.58 118.76 3g2x h GLU 20 Ca 0.39 0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.61 3g2x h GLU 20 Cb 0.36 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 3g2x h GLU 20 CO -0.25 -0.33 -0.08 0.82 -1.18 0.00 0.00 179.01 177.99 3g2x h ILE 21 N -0.52 0.81 -0.28 2.32 2.04 -0.79 -1.91 117.51 119.18 3g2x h ILE 21 Ca 0.04 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.83 3g2x h ILE 21 Cb 0.56 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 3g2x h ILE 21 CO -0.20 0.00 -0.10 0.24 0.00 0.00 0.00 178.15 178.09 3g2x h MET 22 N -0.17 0.46 -0.94 2.37 2.86 -0.85 -2.31 114.93 116.35 3g2x h MET 22 Ca 0.01 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 3g2x h MET 22 Cb 0.18 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.73 3g2x h MET 22 CO -0.04 0.57 0.62 0.78 1.06 0.00 0.00 176.91 179.90 3g2x h GLY 23 N 0.89 1.34 1.65 8.32 0.00 0.15 0.54 103.07 115.96 3g2x h GLY 23 Ca 0.08 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 3g2x h GLY 23 CO 0.02 0.45 -0.15 3.21 0.00 0.00 0.00 176.54 180.07 3g2x h ARG 24 N 1.23 0.42 0.10 4.80 3.08 -0.77 -0.09 114.38 123.16 3g2x h ARG 24 Ca 0.36 -0.12 -0.29 0.00 0.07 0.00 0.00 59.98 59.99 3g2x h ARG 24 Cb -0.07 -0.04 0.03 0.00 0.08 0.00 0.00 29.97 29.96 3g2x h ARG 24 CO -0.09 0.57 -1.21 0.82 -1.07 0.00 0.00 179.97 178.99 3g2x h ILE 25 N 0.39 1.29 -0.41 2.04 2.04 -1.38 -3.17 117.51 118.31 3g2x h ILE 25 Ca 0.07 -2.45 0.02 0.00 1.00 0.00 0.00 64.86 63.50 3g2x h ILE 25 Cb 0.50 2.65 -0.03 0.00 -0.74 0.00 0.00 36.82 39.20 3g2x h ILE 25 CO 0.03 0.75 0.24 -0.08 0.00 0.00 0.00 178.15 179.09 3g2x h GLU 26 N 0.29 0.48 0.00 2.37 4.81 -0.50 -2.60 114.58 119.43 3g2x h GLU 26 Ca -0.18 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 3g2x h GLU 26 Cb 1.88 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 31.15 3g2x h GLU 26 CO 0.23 0.32 -0.10 0.87 -0.73 0.00 0.00 179.01 179.60 3g2x h LYS 27 N 0.49 0.00 -0.00 1.92 1.57 -1.11 0.13 116.57 119.56 3g2x h LYS 27 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 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 -0.07 0.10 -0.02 1.17 -0.57 0.00 0.00 179.45 180.05 3g2x n LYS 28 N -4.14 1.09 -2.24 3.15 3.00 -0.99 -4.92 118.16 113.11 3g2x n LYS 28 Ca -0.03 -0.31 -0.02 0.00 -0.00 0.00 0.00 58.31 57.95 3g2x n LYS 28 Cb 0.18 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 33.72 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 -0.68 -1.72 -4.81 3.14 5.15 0.45 -5.05 115.26 111.74 3g2x n ASN 29 Ca 0.20 -0.02 -0.37 0.00 -0.60 0.00 0.00 54.58 53.79 3g2x n ASN 29 Cb 0.22 -0.81 -0.06 0.00 -0.53 0.00 0.00 39.78 38.59 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 -2.44 3.62 -0.08 1.20 0.40 -1.13 -4.97 117.98 114.57 3g2x s PHE 30 Ca 0.02 0.80 -0.07 0.00 -0.60 0.00 0.00 56.93 57.07 3g2x s PHE 30 Cb -0.01 -2.26 -0.04 0.00 0.51 0.00 0.00 43.02 41.22 3g2x s PHE 30 CO 0.02 0.51 0.18 0.15 0.70 0.00 0.00 175.22 176.79 3g2x s LYS 31 N -0.52 3.50 0.01 0.44 -0.14 -1.01 -4.55 119.74 117.47 3g2x s LYS 31 Ca 0.20 -0.10 -0.30 0.00 -1.36 0.00 0.00 55.97 54.41 3g2x s LYS 31 Cb -0.15 -3.17 -0.03 0.00 -1.68 0.00 0.00 37.83 32.80 3g2x s LYS 31 CO 0.09 0.74 0.97 0.42 -0.76 0.00 0.00 175.35 176.82 3g2x s ILE 32 N -1.10 4.83 -0.17 2.17 1.01 -1.26 -1.51 121.20 125.16 3g2x s ILE 32 Ca 0.19 2.05 -0.01 0.00 0.00 0.00 0.00 60.65 62.88 3g2x s ILE 32 Cb -0.13 -4.32 -0.10 0.00 0.01 0.00 0.00 42.46 37.92 3g2x s ILE 32 CO 0.08 0.18 -0.17 0.52 0.00 0.00 0.00 174.94 175.55 3g2x n VAL 33 N 3.77 0.97 -4.05 2.92 0.31 -0.22 -4.98 118.33 117.06 3g2x n VAL 33 Ca 0.05 -0.34 -0.08 0.00 -0.01 0.00 0.00 64.34 63.97 3g2x n VAL 33 Cb 0.51 -1.25 -0.10 0.00 -0.91 0.00 0.00 33.84 32.08 3g2x n VAL 33 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3g2x s SER 34 N -5.87 0.40 -0.28 4.52 0.01 -1.21 -4.98 113.70 106.29 3g2x s SER 34 Ca -0.23 -0.83 -0.16 0.00 1.31 0.00 0.00 55.95 56.04 3g2x s SER 34 Cb 0.07 0.17 0.10 0.00 0.21 0.00 0.00 66.02 66.57 3g2x s SER 34 CO 0.37 -0.50 0.79 -0.32 0.41 0.00 0.00 173.24 173.99 3g2x s MET 35 N -3.10 0.59 0.03 12.44 0.00 -1.26 -0.63 119.30 127.37 3g2x s MET 35 Ca -0.01 1.02 0.08 0.00 0.00 0.00 0.00 55.69 56.78 3g2x s MET 35 Cb 0.02 0.12 -0.03 0.00 0.00 0.00 0.00 34.83 34.94 3g2x s MET 35 CO -0.07 -0.12 -0.23 0.15 0.00 0.00 0.00 175.02 174.74 3g2x s LYS 36 N 1.54 1.64 -0.23 4.11 -0.14 -0.47 -5.01 119.74 121.19 3g2x s LYS 36 Ca -0.10 -0.99 -0.07 0.00 -1.36 0.00 0.00 55.97 53.46 3g2x s LYS 36 Cb -0.05 -1.75 -0.03 0.00 -1.68 0.00 0.00 37.83 34.32 3g2x s LYS 36 CO -0.18 0.46 0.05 0.12 -0.76 0.00 0.00 175.35 175.04 3g2x s PHE 37 N -0.75 3.09 -0.33 3.18 5.36 -1.26 -1.55 117.98 125.72 3g2x s PHE 37 Ca 0.09 -0.38 -0.08 0.00 -0.96 0.00 0.00 56.93 55.61 3g2x s PHE 37 Cb -0.09 -2.18 0.02 0.00 -0.34 0.00 0.00 43.02 40.43 3g2x s PHE 37 CO 0.01 -0.27 0.12 -1.58 -1.46 0.00 0.00 175.22 172.04 3g2x s TRP 38 N 1.32 3.21 0.40 10.12 0.52 0.61 -4.94 118.94 130.17 3g2x s TRP 38 Ca 0.05 -1.13 0.08 0.00 0.02 0.00 0.00 56.10 55.11 3g2x s TRP 38 Cb -0.15 -2.30 0.85 0.00 -1.15 0.00 0.00 33.47 30.72 3g2x s TRP 38 CO 0.03 -0.65 2.02 0.66 0.02 0.00 0.00 176.95 179.03 3g2x h SER 39 N 8.27 0.51 -1.10 2.95 4.64 -1.92 -0.21 113.55 126.68 3g2x h SER 39 Ca -0.27 -0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.12 3g2x h SER 39 Cb 1.11 -0.12 -0.22 0.00 -0.31 0.00 0.00 62.40 62.86 3g2x h SER 39 CO 0.62 0.35 -0.28 -0.75 -0.87 0.00 0.00 176.83 175.89 3g2x s LYS 40 N -5.53 0.55 0.33 4.77 2.47 -1.26 -3.02 119.74 118.06 3g2x s LYS 40 Ca -0.09 0.99 -0.29 0.00 -1.56 0.00 0.00 55.97 55.03 3g2x s LYS 40 Cb 0.18 0.50 -0.11 0.00 -1.46 0.00 0.00 37.83 36.94 3g2x s LYS 40 CO 0.75 -0.61 1.41 0.00 0.16 0.00 0.00 175.35 177.06 3g2x s ALA 41 N 2.84 3.56 0.14 3.13 0.00 -1.26 -4.93 121.76 125.23 3g2x s ALA 41 Ca 0.19 1.40 -0.34 0.00 0.00 0.00 0.00 51.96 53.22 3g2x s ALA 41 Cb -0.15 -3.55 -0.13 0.00 0.00 0.00 0.00 23.12 19.29 3g2x s ALA 41 CO -0.21 -0.83 1.62 -2.30 0.00 0.00 0.00 175.76 174.05 3g2x n PRO 42 N 0.96 2.20 -0.26 0.00 -0.02 -1.26 -4.85 135.00 131.77 3g2x n PRO 42 Ca 0.02 0.79 0.32 0.00 -2.02 0.00 0.00 63.50 62.61 3g2x n PRO 42 Cb 0.40 -2.58 0.73 0.00 -0.02 0.00 0.00 33.50 32.04 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 6.36 0.01 -0.47 -0.52 2.43 -1.97 -1.66 114.38 118.56 3g2x h ARG 43 Ca -0.45 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.61 3g2x h ARG 43 Cb 1.25 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 3g2x h ARG 43 CO 0.90 0.01 -0.14 -0.97 -1.51 0.00 0.00 179.97 178.25 3g2x h ASN 44 N 0.01 0.90 -0.30 -3.80 -0.73 -2.00 -2.12 115.58 107.54 3g2x h ASN 44 Ca 0.50 -0.30 -0.07 0.00 1.87 0.00 0.00 56.30 58.30 3g2x h ASN 44 Cb 2.00 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 40.34 3g2x h ASN 44 CO -0.01 1.04 -0.09 -0.07 -0.37 0.00 0.00 177.43 177.93 3g2x h LEU 45 N 0.80 0.60 -0.72 0.34 4.07 -1.68 -0.96 115.31 117.76 3g2x h LEU 45 Ca 0.12 -0.37 0.04 0.00 0.08 0.00 0.00 57.88 57.75 3g2x h LEU 45 Cb 0.67 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 42.20 3g2x h LEU 45 CO 0.05 0.84 0.44 0.40 -1.08 0.00 0.00 178.44 179.09 3g2x h ILE 46 N 0.36 1.06 -0.32 1.22 1.08 -1.43 0.76 117.51 120.24 3g2x h ILE 46 Ca 0.07 -0.29 -0.03 0.00 -0.39 0.00 0.00 64.86 64.23 3g2x h ILE 46 Cb 0.58 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.46 3g2x h ILE 46 CO 0.03 0.15 0.10 -0.33 -0.69 0.00 0.00 178.15 177.41 3g2x h GLU 47 N 0.84 0.50 0.25 2.37 5.08 -1.22 -0.07 114.58 122.33 3g2x h GLU 47 Ca 0.30 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3g2x h GLU 47 Cb 0.08 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3g2x h GLU 47 CO -0.13 0.55 -0.25 1.96 -1.00 0.00 0.00 179.01 180.14 3g2x h GLN 48 N 0.36 -0.51 -0.93 2.33 1.08 -0.84 0.28 115.11 116.88 3g2x h GLN 48 Ca 0.10 0.03 0.23 0.00 -1.45 0.00 0.00 58.65 57.56 3g2x h GLN 48 Cb 0.26 0.12 -0.07 0.00 -0.05 0.00 0.00 27.48 27.74 3g2x h GLN 48 CO -0.00 -0.34 0.62 1.25 -0.95 0.00 0.00 178.83 179.41 3g2x h HIS 49 N -0.53 0.48 -0.29 2.96 2.76 0.84 -1.15 115.15 120.23 3g2x h HIS 49 Ca -0.01 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3g2x h HIS 49 Cb 0.49 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.31 3g2x h HIS 49 CO -0.17 0.11 0.00 0.66 -1.30 0.00 0.00 177.93 177.23 3g2x n TYR 50 N -4.49 0.83 -0.33 5.26 0.53 -0.07 -4.76 117.16 114.14 3g2x n TYR 50 Ca 0.20 -0.77 0.36 0.00 -1.02 0.00 0.00 57.90 56.68 3g2x n TYR 50 Cb 0.78 -0.24 0.74 0.00 -1.03 0.00 0.00 39.34 39.59 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 1.92 0.00 0.00 -0.72 2.10 0.87 0.73 116.57 121.47 3g2x h LYS 51 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3g2x h LYS 51 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3g2x h LYS 51 CO 0.16 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.00 3g2x n GLU 52 N -4.03 0.71 0.00 0.07 1.02 -1.26 -2.34 120.64 114.81 3g2x n GLU 52 Ca 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 3g2x n GLU 52 Cb 1.31 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 31.46 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 -0.78 0.00 -0.34 -0.32 8.25 0.26 -4.77 115.22 117.52 3g2x n HIS 53 Ca 0.09 -0.34 0.24 0.00 -0.26 0.00 0.00 57.72 57.45 3g2x n HIS 53 Cb 0.04 -0.03 0.50 0.00 1.12 0.00 0.00 29.99 31.62 3g2x n HIS 53 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3g2x h SER 54 N 0.00 0.47 -0.69 0.41 0.02 -1.52 -0.90 113.55 111.35 3g2x h SER 54 Ca 0.00 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3g2x h SER 54 Cb 0.48 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.06 3g2x h SER 54 CO 0.00 0.04 0.00 -0.62 -1.14 0.00 0.00 176.83 175.11 3g2x n GLU 55 N -4.72 2.71 -2.30 3.45 -0.58 -1.26 -4.86 120.64 113.08 3g2x n GLU 55 Ca 0.28 -2.61 -0.26 0.00 -0.42 0.00 0.00 57.16 54.14 3g2x n GLU 55 Cb 0.93 -1.55 0.05 0.00 -0.57 0.00 0.00 31.44 30.29 3g2x n GLU 55 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3g2x s GLN 56 N -1.05 2.64 0.24 3.49 -1.52 -0.34 -4.98 119.66 118.14 3g2x s GLN 56 Ca 0.47 -0.09 0.03 0.00 -1.95 0.00 0.00 55.36 53.82 3g2x s GLN 56 Cb 0.25 -2.23 0.26 0.00 -0.22 0.00 0.00 33.01 31.08 3g2x s GLN 56 CO 0.33 -0.92 1.58 0.66 -0.25 0.00 0.00 175.29 176.69 3g2x h SER 57 N -0.35 0.36 1.40 5.90 4.64 -1.92 -3.21 113.55 120.38 3g2x h SER 57 Ca -0.45 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 3g2x h SER 57 Cb 1.28 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3g2x h SER 57 CO 0.60 0.83 -0.38 0.10 -0.87 0.00 0.00 176.83 177.11 3g2x h TYR 58 N 0.26 0.00 -0.98 4.77 -0.00 -1.94 -3.40 116.97 115.68 3g2x h TYR 58 Ca 0.01 0.00 0.25 0.00 0.00 0.00 0.00 58.73 58.99 3g2x h TYR 58 Cb 1.02 0.00 -0.18 0.00 0.00 0.00 0.00 36.73 37.57 3g2x h TYR 58 CO 0.03 0.00 -0.05 0.34 -0.00 0.00 0.00 178.16 178.48 3g2x n PHE 59 N -2.61 0.56 0.09 0.10 -0.00 -1.21 -0.81 117.46 113.57 3g2x n PHE 59 Ca 0.03 1.19 -0.06 0.00 -0.00 0.00 0.00 57.45 58.61 3g2x n PHE 59 Cb 0.50 -1.20 0.01 0.00 -0.00 0.00 0.00 39.48 38.79 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 0.11 1.30 -2.13 2.35 -1.85 -1.75 115.58 113.62 3g2x h ASN 60 Ca 0.57 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.22 3g2x h ASN 60 Cb 1.10 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.44 3g2x h ASN 60 CO -0.95 0.90 0.00 0.47 -1.65 0.00 0.00 177.43 176.20 3g2x n ASP 61 N -3.62 0.78 -0.07 5.81 8.00 0.01 -2.49 116.55 124.97 3g2x n ASP 61 Ca -0.02 0.60 -0.10 0.00 0.71 0.00 0.00 54.79 55.98 3g2x n ASP 61 Cb 0.79 -0.80 -0.09 0.00 -0.02 0.00 0.00 41.12 41.00 3g2x n ASP 61 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3g2x h LEU 62 N 0.00 0.00 -1.16 0.64 5.85 -0.68 -2.96 115.31 117.00 3g2x h LEU 62 Ca 0.00 -0.68 -0.01 0.00 0.84 0.00 0.00 57.88 58.03 3g2x h LEU 62 Cb 0.65 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 3g2x h LEU 62 CO 0.00 0.87 0.38 0.00 -0.34 0.00 0.00 178.44 179.35 3g2x h ASP 64 N 0.97 -0.04 -0.24 0.00 3.32 -1.62 -2.48 116.42 116.32 3g2x h ASP 64 Ca 0.25 -0.16 0.06 0.00 0.02 0.00 0.00 57.03 57.20 3g2x h ASP 64 Cb 0.03 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.52 3g2x h ASP 64 CO -0.04 0.13 -0.21 0.15 -1.72 0.00 0.00 179.24 177.55 3g2x h PHE 65 N -0.22 -0.55 0.00 4.55 3.04 -1.33 -2.17 116.94 120.26 3g2x h PHE 65 Ca -0.01 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3g2x h PHE 65 Cb 0.20 0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.99 3g2x h PHE 65 CO -0.02 -0.29 0.00 -1.33 -2.02 0.00 0.00 178.31 174.65 3g2x n MET 66 N -5.36 0.04 0.00 1.11 2.81 -0.28 -0.28 117.12 115.17 3g2x n MET 66 Ca -0.01 0.30 0.03 0.00 -1.81 0.00 0.00 57.70 56.21 3g2x n MET 66 Cb 0.27 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.29 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 -1.35 0.00 0.41 2.03 0.24 -0.89 -4.59 118.33 114.19 3g2x n VAL 67 Ca 0.02 -0.46 0.08 0.00 -2.04 0.00 0.00 64.34 61.94 3g2x n VAL 67 Cb 0.04 1.10 0.37 0.00 -1.47 0.00 0.00 33.84 33.88 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 -0.03 0.27 -2.40 -1.34 3.41 0.61 -4.81 113.62 109.33 3g2x n SER 68 Ca 0.03 0.57 -0.06 0.00 -0.26 0.00 0.00 58.87 59.16 3g2x n SER 68 Cb 0.15 -0.63 0.02 0.00 -0.26 0.00 0.00 64.21 63.49 3g2x n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g2x n GLY 69 N -0.16 1.14 3.71 5.00 0.00 -1.26 -5.08 105.19 108.54 3g2x n GLY 69 Ca 0.03 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 3g2x n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3g2x s PRO 70 N -2.06 1.38 0.00 1.61 0.02 -1.17 -4.57 135.00 130.21 3g2x s PRO 70 Ca 0.13 1.14 0.01 0.00 0.02 0.00 0.00 61.00 62.29 3g2x s PRO 70 Cb -0.03 -1.80 -0.00 0.00 0.02 0.00 0.00 34.50 32.68 3g2x s PRO 70 CO 0.08 -2.25 -0.03 0.42 -0.33 0.00 0.00 177.00 174.88 3g2x s ILE 71 N -2.81 0.25 -0.20 2.83 1.01 -0.09 -2.86 121.20 119.33 3g2x s ILE 71 Ca 0.64 -0.25 -0.04 0.00 0.00 0.00 0.00 60.65 61.01 3g2x s ILE 71 Cb -0.19 -0.24 -0.01 0.00 0.01 0.00 0.00 42.46 42.02 3g2x s ILE 71 CO 0.57 -0.00 -0.05 -0.63 0.00 0.00 0.00 174.94 174.84 3g2x s ILE 72 N -0.25 3.50 -0.25 2.92 1.01 -0.87 -0.28 121.20 126.98 3g2x s ILE 72 Ca -0.01 -0.46 -0.10 0.00 0.00 0.00 0.00 60.65 60.08 3g2x s ILE 72 Cb -0.02 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 3g2x s ILE 72 CO -0.00 0.45 0.15 -0.94 0.00 0.00 0.00 174.94 174.59 3g2x s SER 73 N 1.09 5.88 -0.10 3.58 1.04 -0.59 -1.38 113.70 123.21 3g2x s SER 73 Ca 0.01 0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.48 3g2x s SER 73 Cb -0.15 -2.07 0.01 0.00 0.10 0.00 0.00 66.02 63.91 3g2x s SER 73 CO -0.00 0.02 -0.19 -0.63 0.98 0.00 0.00 173.24 173.42 3g2x s ILE 74 N 1.35 1.68 -0.19 -1.02 1.01 0.02 -1.37 121.20 122.68 3g2x s ILE 74 Ca 0.07 -0.78 -0.20 0.00 0.00 0.00 0.00 60.65 59.73 3g2x s ILE 74 Cb -0.15 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.81 3g2x s ILE 74 CO 0.06 0.48 0.58 -0.69 0.00 0.00 0.00 174.94 175.37 3g2x s VAL 75 N 0.62 5.06 0.22 2.92 1.01 0.19 -0.35 120.40 130.07 3g2x s VAL 75 Ca -0.14 1.10 0.07 0.00 0.00 0.00 0.00 61.98 63.00 3g2x s VAL 75 Cb -0.16 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 3g2x s VAL 75 CO 0.04 0.15 0.15 -0.31 0.00 0.00 0.00 175.10 175.13 3g2x s TYR 76 N 1.74 3.08 -0.11 5.22 1.51 0.01 -1.06 117.35 127.75 3g2x s TYR 76 Ca 0.27 -0.09 -0.07 0.00 -1.01 0.00 0.00 57.07 56.17 3g2x s TYR 76 Cb -0.16 -1.42 0.04 0.00 -0.11 0.00 0.00 41.96 40.31 3g2x s TYR 76 CO 0.10 0.53 0.26 -2.00 -1.11 0.00 0.00 175.55 173.33 3g2x s GLU 77 N -3.52 0.26 0.00 -0.62 2.12 -0.57 -1.30 118.70 115.07 3g2x s GLU 77 Ca 0.32 0.47 0.00 0.00 0.36 0.00 0.00 54.97 56.12 3g2x s GLU 77 Cb -0.09 0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.31 3g2x s GLU 77 CO 0.24 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.26 3g2x n GLY 78 N 3.67 0.21 3.65 -1.50 0.00 -0.90 -2.40 105.19 107.92 3g2x n GLY 78 Ca -0.20 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 3g2x n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g2x s THR 79 N -2.00 3.14 -1.41 2.61 2.01 -1.26 -2.20 115.64 116.53 3g2x s THR 79 Ca 0.00 0.17 -0.09 0.00 0.31 0.00 0.00 61.69 62.08 3g2x s THR 79 Cb 0.00 -3.12 0.04 0.00 0.01 0.00 0.00 72.50 69.43 3g2x s THR 79 CO 0.00 -0.03 1.02 0.47 -0.69 0.00 0.00 174.62 175.39 3g2x n ASP 80 N 8.10 -4.61 -0.35 3.53 10.43 -1.26 -4.88 116.55 127.51 3g2x n ASP 80 Ca 0.21 -0.69 0.03 0.00 2.57 0.00 0.00 54.79 56.91 3g2x n ASP 80 Cb 0.42 -4.43 0.18 0.00 1.84 0.00 0.00 41.12 39.13 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 0.97 1.35 0.45 2.24 0.00 -1.65 -1.56 119.26 121.05 3g2x h ALA 81 Ca -0.58 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 3g2x h ALA 81 Cb 1.37 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3g2x h ALA 81 CO 0.60 0.33 -0.21 0.82 0.00 0.00 0.00 179.25 180.79 3g2x h ILE 82 N 1.06 0.00 -0.64 0.00 2.04 -1.88 0.02 117.51 118.11 3g2x h ILE 82 Ca 0.43 -0.04 0.12 0.00 1.00 0.00 0.00 64.86 66.37 3g2x h ILE 82 Cb 0.25 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.20 3g2x h ILE 82 CO -0.20 0.00 -0.27 -1.28 0.00 0.00 0.00 178.15 176.40 3g2x h SER 83 N -0.64 -0.96 -0.44 1.72 0.87 -1.88 -2.27 113.55 109.94 3g2x h SER 83 Ca -0.06 0.22 -0.10 0.00 -1.23 0.00 0.00 61.79 60.62 3g2x h SER 83 Cb 0.46 0.52 -0.01 0.00 -0.44 0.00 0.00 62.40 62.93 3g2x h SER 83 CO 0.10 -0.28 -0.12 0.11 -0.53 0.00 0.00 176.83 176.11 3g2x h LYS 84 N -0.10 0.87 0.00 2.24 1.57 -1.18 -2.57 116.57 117.40 3g2x h LYS 84 Ca 0.28 -0.34 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 3g2x h LYS 84 Cb 0.54 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3g2x h LYS 84 CO -0.70 0.98 -0.43 0.82 -0.57 0.00 0.00 179.45 179.55 3g2x h ILE 85 N 0.70 1.01 -0.53 1.86 2.04 -0.79 -2.50 117.51 119.30 3g2x h ILE 85 Ca 0.11 -1.67 -0.11 0.00 1.00 0.00 0.00 64.86 64.20 3g2x h ILE 85 Cb 0.67 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.71 3g2x h ILE 85 CO 0.05 0.42 -0.09 0.03 0.00 0.00 0.00 178.15 178.56 3g2x h ARG 86 N 0.00 0.97 -0.09 2.37 2.47 -1.21 -2.02 114.38 116.87 3g2x h ARG 86 Ca -0.00 -0.34 0.00 0.00 -1.26 0.00 0.00 59.98 58.38 3g2x h ARG 86 Cb 0.95 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 29.19 3g2x h ARG 86 CO 0.06 1.01 0.06 0.00 0.56 0.00 0.00 179.97 181.66 3g2x h ARG 87 N 0.87 0.13 -0.80 0.04 3.08 -1.06 -2.48 114.38 114.15 3g2x h ARG 87 Ca 0.14 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.27 3g2x h ARG 87 Cb 0.63 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.58 3g2x h ARG 87 CO 0.04 0.10 0.46 -0.07 -1.07 0.00 0.00 179.97 179.43 3g2x h LEU 88 N 0.11 0.66 -0.28 3.04 3.38 -1.44 -2.93 115.31 117.85 3g2x h LEU 88 Ca 0.03 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.10 3g2x h LEU 88 Cb 0.01 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3g2x h LEU 88 CO -0.01 0.38 -0.06 -0.61 0.09 0.00 0.00 178.44 178.24 3g2x h GLN 89 N 0.78 0.02 0.00 1.13 4.15 -0.93 0.48 115.11 120.74 3g2x h GLN 89 Ca 0.38 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.80 3g2x h GLN 89 Cb 0.33 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.02 3g2x h GLN 89 CO -0.24 0.01 0.00 0.41 -1.93 0.00 0.00 178.83 177.08 3g2x n GLY 90 N -1.24 -0.32 3.84 2.39 0.00 -1.02 -0.30 105.19 108.54 3g2x n GLY 90 Ca -0.00 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 3g2x n GLY 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3g2x s ASN 91 N -1.39 6.84 0.11 1.61 3.84 -1.26 -4.87 114.94 119.82 3g2x s ASN 91 Ca 0.00 1.48 -0.22 0.00 0.21 0.00 0.00 52.86 54.33 3g2x s ASN 91 Cb 0.00 -2.46 -0.08 0.00 -0.55 0.00 0.00 41.25 38.17 3g2x s ASN 91 CO 0.00 -0.30 1.71 0.74 -2.79 0.00 0.00 177.10 176.46 3g2x h THR 92 N 1.88 0.84 -2.77 -5.21 2.02 -1.95 -3.40 112.91 104.32 3g2x h THR 92 Ca -0.48 0.00 -0.56 0.00 0.77 0.00 0.00 66.41 66.14 3g2x h THR 92 Cb 1.18 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 3g2x h THR 92 CO 0.63 0.00 1.02 0.21 0.37 0.00 0.00 175.52 177.75 3g2x s ASN 93 N -5.15 6.74 0.00 4.18 3.84 -1.26 -4.64 114.94 118.65 3g2x s ASN 93 Ca -0.14 1.90 0.03 0.00 0.21 0.00 0.00 52.86 54.87 3g2x s ASN 93 Cb 0.08 -2.54 0.14 0.00 -0.55 0.00 0.00 41.25 38.39 3g2x s ASN 93 CO 0.67 -0.91 0.97 -2.65 -2.79 0.00 0.00 177.10 172.39 3g2x n PRO 94 N 7.00 0.03 0.10 0.43 -0.02 -1.26 -0.92 135.00 140.35 3g2x n PRO 94 Ca 0.16 0.32 -0.20 0.00 -2.02 0.00 0.00 63.50 61.76 3g2x n PRO 94 Cb 0.44 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.30 3g2x n PRO 94 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3g2x h LEU 95 N 0.00 0.72 0.00 2.45 3.38 -1.94 -3.40 115.31 116.53 3g2x h LEU 95 Ca 0.00 -0.69 -0.04 0.00 0.09 0.00 0.00 57.88 57.24 3g2x h LEU 95 Cb 0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3g2x h LEU 95 CO 0.00 1.52 -0.22 0.00 0.09 0.00 0.00 178.44 179.83 3g2x h ALA 96 N 0.40 0.04 -0.82 1.53 0.00 -1.39 -3.47 119.26 115.55 3g2x h ALA 96 Ca -0.17 -0.59 -0.70 0.00 0.00 0.00 0.00 54.91 53.45 3g2x h ALA 96 Cb 1.93 0.13 0.02 0.00 0.00 0.00 0.00 17.79 19.86 3g2x h ALA 96 CO 0.23 0.12 0.43 0.43 0.00 0.00 0.00 179.25 180.46 3g2x n SER 97 N -4.59 0.73 -4.82 0.00 7.64 -1.13 -4.87 113.62 106.58 3g2x n SER 97 Ca -0.13 0.97 -0.37 0.00 1.01 0.00 0.00 58.87 60.35 3g2x n SER 97 Cb 0.48 -0.73 -0.06 0.00 -1.01 0.00 0.00 64.21 62.89 3g2x n SER 97 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3g2x s ALA 98 N 1.82 3.48 0.26 -0.43 0.00 -1.26 -4.49 121.76 121.15 3g2x s ALA 98 Ca 0.83 0.10 -0.31 0.00 0.00 0.00 0.00 51.96 52.59 3g2x s ALA 98 Cb -1.18 -2.74 -0.12 0.00 0.00 0.00 0.00 23.12 19.08 3g2x s ALA 98 CO 0.62 0.36 1.57 -2.30 0.00 0.00 0.00 175.76 176.01 3g2x n PRO 99 N 1.02 2.53 0.00 0.00 -0.02 -1.26 -1.21 135.00 136.06 3g2x n PRO 99 Ca -0.05 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3g2x n PRO 99 Cb 0.51 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 3g2x n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g2x n GLY 100 N 2.45 1.84 3.86 -1.23 0.00 -1.26 -4.96 105.19 105.89 3g2x n GLY 100 Ca 0.11 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.65 4.47 0.07 2.61 -4.23 -0.35 -4.87 115.64 111.69 3g2x s THR 101 Ca 0.00 0.80 -0.33 0.00 -1.18 0.00 0.00 61.69 60.99 3g2x s THR 101 Cb 0.00 -3.74 -0.17 0.00 1.34 0.00 0.00 72.50 69.93 3g2x s THR 101 CO 0.00 -1.05 1.50 0.40 -0.54 0.00 0.00 174.62 174.93 3g2x h ILE 102 N -0.43 0.00 -0.08 2.99 2.04 -0.03 0.17 117.51 122.16 3g2x h ILE 102 Ca -0.44 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 3g2x h ILE 102 Cb 1.20 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3g2x h ILE 102 CO 0.61 0.00 -0.00 0.03 0.00 0.00 0.00 178.15 178.79 3g2x h ARG 103 N -1.01 0.11 -0.28 2.37 3.08 -0.86 -1.12 114.38 116.67 3g2x h ARG 103 Ca -0.08 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 59.80 3g2x h ARG 103 Cb 0.84 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 3g2x h ARG 103 CO 0.03 0.13 -0.45 0.78 -1.07 0.00 0.00 179.97 179.39 3g2x h GLY 104 N 0.26 0.79 1.71 0.04 0.00 -1.60 -1.70 103.07 102.57 3g2x h GLY 104 Ca 0.03 -0.84 -0.03 0.00 0.00 0.00 0.00 47.33 46.49 3g2x h GLY 104 CO 0.00 0.76 -0.41 -0.55 0.00 0.00 0.00 176.54 176.33 3g2x h ASP 105 N 0.58 0.00 0.00 0.19 3.32 -0.49 -3.42 116.42 116.59 3g2x h ASP 105 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3g2x h ASP 105 Cb 1.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.56 3g2x h ASP 105 CO 0.10 0.13 -0.32 0.18 -1.72 0.00 0.00 179.24 177.61 3g2x n LEU 106 N -3.02 0.21 -4.95 1.55 4.77 -0.47 -5.06 117.00 110.04 3g2x n LEU 106 Ca 0.02 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.76 3g2x n LEU 106 Cb 0.59 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.67 3g2x n LEU 106 CO 0.37 0.03 0.07 0.00 -1.33 0.00 0.00 177.39 176.53 3g2x s ALA 107 N -1.32 3.81 0.00 -1.18 0.00 -0.64 -5.02 121.76 117.40 3g2x s ALA 107 Ca 0.00 -1.00 0.08 0.00 0.00 0.00 0.00 51.96 51.05 3g2x s ALA 107 Cb 0.00 -1.96 0.13 0.00 0.00 0.00 0.00 23.12 21.30 3g2x s ALA 107 CO 0.00 0.17 0.96 -1.71 0.00 0.00 0.00 175.76 175.18 3g2x n ASN 108 N -1.39 0.05 -3.78 0.00 5.15 -1.26 -4.80 115.26 109.22 3g2x n ASN 108 Ca -0.06 -1.81 -0.13 0.00 -0.60 0.00 0.00 54.58 51.98 3g2x n ASN 108 Cb 0.56 -0.06 -0.09 0.00 -0.53 0.00 0.00 39.78 39.66 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 -1.12 -0.17 0.39 1.20 -1.08 -1.26 -4.99 116.67 109.64 3g2x s ASP 109 Ca 0.11 0.10 0.12 0.00 -0.52 0.00 0.00 52.55 52.36 3g2x s ASP 109 Cb 0.12 0.33 0.79 0.00 -1.46 0.00 0.00 42.92 42.70 3g2x s ASP 109 CO -0.05 -0.39 1.87 -0.29 0.52 0.00 0.00 175.17 176.83 3g2x h ILE 110 N 4.03 1.22 0.00 4.11 6.09 -1.99 -3.35 117.51 127.63 3g2x h ILE 110 Ca -0.29 -1.06 -0.30 0.00 -1.37 0.00 0.00 64.86 61.84 3g2x h ILE 110 Cb 1.18 1.55 -0.05 0.00 0.47 0.00 0.00 36.82 39.97 3g2x h ILE 110 CO 0.39 0.31 -2.02 -1.14 -3.07 0.00 0.00 178.15 172.62 3g2x n ARG 111 N -4.17 0.40 -2.60 2.19 0.63 -1.26 -4.70 116.66 107.15 3g2x n ARG 111 Ca -0.02 0.15 -0.43 0.00 -0.92 0.00 0.00 57.85 56.64 3g2x n ARG 111 Cb 0.35 -1.20 -0.01 0.00 0.45 0.00 0.00 32.46 32.05 3g2x n ARG 111 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3g2x s GLU 112 N -2.34 3.90 -0.21 -0.14 2.02 -1.25 -4.69 118.70 115.99 3g2x s GLU 112 Ca -0.25 -1.84 0.13 0.00 0.02 0.00 0.00 54.97 53.03 3g2x s GLU 112 Cb 0.09 -5.47 0.42 0.00 0.10 0.00 0.00 34.13 29.27 3g2x s GLU 112 CO 0.34 -2.21 1.28 0.27 0.02 0.00 0.00 175.26 174.95 3g2x n ASN 113 N 8.33 2.24 0.00 -0.19 0.23 -1.26 -3.98 115.26 120.63 3g2x n ASN 113 Ca 0.44 -3.60 0.00 0.00 -0.53 0.00 0.00 54.58 50.90 3g2x n ASN 113 Cb 0.47 -0.53 0.00 0.00 -2.08 0.00 0.00 39.78 37.64 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 -1.15 0.00 -3.83 -4.53 4.77 -1.26 -4.78 117.00 106.22 3g2x n LEU 114 Ca 0.22 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.07 3g2x n LEU 114 Cb 0.78 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.73 3g2x n LEU 114 CO 0.04 0.00 -0.28 -0.51 -1.33 0.00 0.00 177.39 175.31 3g2x s ILE 115 N 0.00 -0.01 0.05 -0.08 2.07 -1.26 0.77 121.20 122.75 3g2x s ILE 115 Ca 0.00 0.03 0.04 0.00 -1.41 0.00 0.00 60.65 59.31 3g2x s ILE 115 Cb 0.00 -0.12 -0.04 0.00 0.13 0.00 0.00 42.46 42.44 3g2x s ILE 115 CO 0.00 0.01 -0.02 -2.28 -1.91 0.00 0.00 174.94 170.74 3g2x s HIS 116 N 0.21 2.98 -0.11 3.50 5.65 0.19 -4.93 115.29 122.78 3g2x s HIS 116 Ca -0.01 -0.01 -0.06 0.00 0.25 0.00 0.00 55.06 55.23 3g2x s HIS 116 Cb -0.02 -1.58 0.05 0.00 -1.18 0.00 0.00 32.58 29.84 3g2x s HIS 116 CO -0.01 0.45 0.26 0.00 -0.65 0.00 0.00 174.74 174.80 3g2x s ALA 117 N -1.18 -0.61 0.34 1.58 0.00 -1.26 -1.29 121.76 119.34 3g2x s ALA 117 Ca 0.22 1.04 -0.26 0.00 0.00 0.00 0.00 51.96 52.96 3g2x s ALA 117 Cb -0.11 -0.65 -0.13 0.00 0.00 0.00 0.00 23.12 22.22 3g2x s ALA 117 CO 0.14 -0.20 0.87 0.43 0.00 0.00 0.00 175.76 176.99 3g2x n SER 118 N 4.16 0.59 0.00 0.00 7.64 -0.89 -4.93 113.62 120.20 3g2x n SER 118 Ca -0.24 1.08 0.07 0.00 1.01 0.00 0.00 58.87 60.79 3g2x n SER 118 Cb 0.53 -1.24 -0.13 0.00 -1.01 0.00 0.00 64.21 62.37 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 1.12 0.25 -4.07 6.43 5.68 -1.26 -4.75 116.55 119.95 3g2x n ASP 119 Ca 0.11 0.10 -0.10 0.00 -0.50 0.00 0.00 54.79 54.40 3g2x n ASP 119 Cb 0.35 1.37 -0.07 0.00 -1.14 0.00 0.00 41.12 41.63 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 -4.95 -0.00 0.31 -1.12 1.04 -1.26 -4.90 113.70 102.82 3g2x s SER 120 Ca -0.06 -1.09 0.01 0.00 0.48 0.00 0.00 55.95 55.29 3g2x s SER 120 Cb 0.11 0.51 0.50 0.00 0.10 0.00 0.00 66.02 67.24 3g2x s SER 120 CO 0.87 -1.02 1.85 -0.33 0.98 0.00 0.00 173.24 175.58 3g2x h GLU 121 N 2.40 0.69 -0.14 4.02 5.08 -1.96 -0.82 114.58 123.85 3g2x h GLU 121 Ca -0.30 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 57.79 3g2x h GLU 121 Cb 1.25 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3g2x h GLU 121 CO 0.42 0.65 -0.43 -0.44 -1.00 0.00 0.00 179.01 178.22 3g2x h ASP 122 N 0.67 0.63 -1.01 1.42 3.45 -1.99 -2.37 116.42 117.21 3g2x h ASP 122 Ca 0.15 -0.60 0.02 0.00 0.43 0.00 0.00 57.03 57.03 3g2x h ASP 122 Cb 0.30 -0.18 -0.05 0.00 -0.56 0.00 0.00 39.33 38.83 3g2x h ASP 122 CO 0.00 1.11 0.67 0.28 -1.57 0.00 0.00 179.24 179.73 3g2x h SER 123 N 0.17 1.15 -0.50 6.45 0.02 -1.94 -0.41 113.55 118.48 3g2x h SER 123 Ca -0.01 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3g2x h SER 123 Cb 1.05 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.28 3g2x h SER 123 CO 0.09 0.82 0.30 0.00 -1.14 0.00 0.00 176.83 176.90 3g2x h ALA 124 N 1.38 0.64 0.53 3.77 0.00 -1.03 0.25 119.26 124.80 3g2x h ALA 124 Ca 0.38 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3g2x h ALA 124 Cb -0.13 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.46 3g2x h ALA 124 CO -0.09 0.14 -0.25 0.28 0.00 0.00 0.00 179.25 179.33 3g2x h VAL 125 N 0.67 0.32 -0.51 0.00 2.07 -1.05 0.15 116.25 117.89 3g2x h VAL 125 Ca 0.18 -0.41 0.10 0.00 0.82 0.00 0.00 66.70 67.39 3g2x h VAL 125 Cb 0.01 0.44 -0.10 0.00 -1.52 0.00 0.00 31.29 30.12 3g2x h VAL 125 CO -0.03 0.05 -0.24 -0.78 0.02 0.00 0.00 177.57 176.58 3g2x h ASP 126 N -1.01 -0.85 -0.53 0.57 1.82 -1.05 -1.25 116.42 114.11 3g2x h ASP 126 Ca -0.07 0.19 -0.11 0.00 -0.39 0.00 0.00 57.03 56.65 3g2x h ASP 126 Cb 0.62 0.45 -0.02 0.00 0.68 0.00 0.00 39.33 41.07 3g2x h ASP 126 CO 0.12 -0.26 -0.09 -0.33 -1.61 0.00 0.00 179.24 177.06 3g2x h GLU 127 N -0.13 1.00 -0.74 0.28 5.08 -0.45 -2.94 114.58 116.69 3g2x h GLU 127 Ca 0.23 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 3g2x h GLU 127 Cb 0.49 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 3g2x h GLU 127 CO -0.59 1.05 0.33 0.82 -1.00 0.00 0.00 179.01 179.62 3g2x h ILE 128 N 0.88 1.24 0.00 3.13 2.04 -0.21 -2.44 117.51 122.15 3g2x h ILE 128 Ca 0.14 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.28 3g2x h ILE 128 Cb 0.66 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 3g2x h ILE 128 CO 0.05 0.30 0.00 0.77 0.00 0.00 0.00 178.15 179.26 3g2x h SER 129 N 1.06 0.00 0.07 1.72 4.64 -1.13 0.68 113.55 120.59 3g2x h SER 129 Ca 0.25 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.43 3g2x h SER 129 Cb 0.15 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.25 3g2x h SER 129 CO -0.03 0.00 -0.62 0.40 -0.87 0.00 0.00 176.83 175.71 3g2x h ILE 130 N 0.00 1.52 0.00 0.95 2.04 -1.27 -3.26 117.51 117.49 3g2x h ILE 130 Ca 0.00 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.53 3g2x h ILE 130 Cb 0.51 3.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.60 3g2x h ILE 130 CO 0.00 0.66 -0.62 0.79 0.00 0.00 0.00 178.15 178.98 3g2x n TRP 131 N -4.24 0.34 -3.03 1.37 7.02 -1.06 -4.61 117.44 113.22 3g2x n TRP 131 Ca -0.12 0.10 -0.17 0.00 -1.02 0.00 0.00 57.50 56.29 3g2x n TRP 131 Cb 0.72 -0.50 -0.03 0.00 -2.42 0.00 0.00 31.31 29.07 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 -1.89 -1.87 1.72 -5.99 3.72 0.22 -4.98 117.46 108.39 3g2x n PHE 132 Ca 0.04 -2.66 0.15 0.00 -0.05 0.00 0.00 57.45 54.93 3g2x n PHE 132 Cb 0.40 0.60 0.71 0.00 -0.94 0.00 0.00 39.48 40.26 3g2x n PHE 132 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41