#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 1.72 -0.03 3.69 0.52 -1.26 -2.06 118.95 121.53 3g2x s ARG 3 Ca 0.00 -1.84 -0.23 0.00 -0.52 0.00 0.00 55.73 53.14 3g2x s ARG 3 Cb 0.00 -1.69 0.05 0.00 0.52 0.00 0.00 34.95 33.83 3g2x s ARG 3 CO 0.00 0.22 0.50 -0.08 0.02 0.00 0.00 175.30 175.96 3g2x s THR 4 N -2.60 0.03 -0.15 0.02 -1.32 -0.37 -4.70 115.64 106.56 3g2x s THR 4 Ca 0.31 -0.24 -0.10 0.00 -1.21 0.00 0.00 61.69 60.46 3g2x s THR 4 Cb -0.01 -0.83 -0.05 0.00 -1.51 0.00 0.00 72.50 70.11 3g2x s THR 4 CO 0.15 -0.13 0.17 -0.22 -2.21 0.00 0.00 174.62 172.38 3g2x s LEU 5 N -1.32 4.31 -0.05 9.08 1.98 -1.26 -0.78 118.68 130.64 3g2x s LEU 5 Ca -0.12 0.41 0.02 0.00 -2.89 0.00 0.00 54.13 51.56 3g2x s LEU 5 Cb -0.02 -2.15 0.01 0.00 0.66 0.00 0.00 46.19 44.69 3g2x s LEU 5 CO 0.06 0.28 -0.10 -0.69 -1.89 0.00 0.00 176.35 174.02 3g2x s VAL 6 N -0.31 0.89 -0.16 1.68 1.01 0.84 -1.79 120.40 122.56 3g2x s VAL 6 Ca 0.13 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 3g2x s VAL 6 Cb -0.12 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 3g2x s VAL 6 CO 0.02 0.29 -0.08 -0.76 0.00 0.00 0.00 175.10 174.58 3g2x s LEU 7 N 0.54 2.93 -0.17 3.92 1.43 0.23 -0.64 118.68 126.92 3g2x s LEU 7 Ca -0.10 -0.29 -0.22 0.00 -1.03 0.00 0.00 54.13 52.49 3g2x s LEU 7 Cb -0.13 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 3g2x s LEU 7 CO 0.02 0.11 0.69 -0.63 0.23 0.00 0.00 176.35 176.77 3g2x s ILE 8 N 0.68 4.99 0.52 -0.59 -1.09 -0.10 -0.07 121.20 125.54 3g2x s ILE 8 Ca -0.04 1.34 0.04 0.00 -2.23 0.00 0.00 60.65 59.76 3g2x s ILE 8 Cb -0.15 -4.01 0.03 0.00 -1.58 0.00 0.00 42.46 36.75 3g2x s ILE 8 CO 0.02 0.11 0.72 -0.54 -1.23 0.00 0.00 174.94 174.02 3g2x s LYS 9 N 1.80 2.57 0.57 2.79 1.02 0.52 -1.82 119.74 127.19 3g2x s LYS 9 Ca 0.33 -1.01 0.26 0.00 0.02 0.00 0.00 55.97 55.57 3g2x s LYS 9 Cb -0.16 -2.58 1.63 0.00 -0.52 0.00 0.00 37.83 36.19 3g2x s LYS 9 CO 0.12 -0.61 2.17 -1.35 -0.92 0.00 0.00 175.35 174.75 3g2x h PRO 10 N 0.24 0.00 0.00 -1.68 0.11 -1.80 0.45 132.00 129.31 3g2x h PRO 10 Ca -0.40 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.67 3g2x h PRO 10 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 3g2x h PRO 10 CO 0.48 0.00 -0.18 0.38 -0.21 0.00 0.00 178.00 178.47 3g2x h ASP 11 N 0.00 0.00 -0.55 -2.05 2.03 -1.91 -2.05 116.42 111.89 3g2x h ASP 11 Ca 0.04 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.25 3g2x h ASP 11 Cb 0.22 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.70 3g2x h ASP 11 CO -0.00 0.18 -0.02 0.00 -1.03 0.00 0.00 179.24 178.37 3g2x h ALA 12 N 1.82 0.88 -0.06 4.15 0.00 -1.17 -1.33 119.26 123.56 3g2x h ALA 12 Ca -0.00 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.41 3g2x h ALA 12 Cb 0.86 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3g2x h ALA 12 CO 0.02 0.66 -0.75 0.74 0.00 0.00 0.00 179.25 179.92 3g2x h PHE 13 N 0.92 0.49 -0.38 0.00 -1.00 -1.48 0.28 116.94 115.78 3g2x h PHE 13 Ca 0.16 -0.22 -0.10 0.00 2.81 0.00 0.00 57.97 60.62 3g2x h PHE 13 Cb 0.56 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 40.03 3g2x h PHE 13 CO 0.04 0.98 -0.16 1.49 -1.61 0.00 0.00 178.31 179.05 3g2x h GLU 14 N 0.24 0.69 -0.43 1.51 4.57 -1.23 -2.86 114.58 117.06 3g2x h GLU 14 Ca -0.03 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 3g2x h GLU 14 Cb 1.33 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 3g2x h GLU 14 CO 0.13 0.82 0.00 0.54 -1.18 0.00 0.00 179.01 179.32 3g2x n ARG 15 N -4.15 2.56 -3.54 1.92 1.74 -0.51 -4.98 116.66 109.70 3g2x n ARG 15 Ca 0.01 -2.17 -0.19 0.00 -0.77 0.00 0.00 57.85 54.72 3g2x n ARG 15 Cb 0.38 -1.38 0.06 0.00 -1.02 0.00 0.00 32.46 30.50 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 0.99 -2.28 -0.27 0.55 7.64 0.17 -4.91 113.62 115.51 3g2x n SER 16 Ca 0.16 -0.73 0.06 0.00 1.01 0.00 0.00 58.87 59.37 3g2x n SER 16 Cb 0.49 -4.61 0.12 0.00 -1.01 0.00 0.00 64.21 59.20 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 -4.10 2.60 0.26 -3.43 4.77 0.74 -4.80 117.00 113.04 3g2x n LEU 17 Ca -0.26 -2.59 -0.15 0.00 -0.03 0.00 0.00 56.01 52.98 3g2x n LEU 17 Cb 0.67 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.39 3g2x n LEU 17 CO 0.64 0.64 0.54 0.58 -1.33 0.00 0.00 177.39 178.47 3g2x h VAL 18 N 0.61 0.44 -0.62 4.08 2.07 -1.91 -1.01 116.25 119.90 3g2x h VAL 18 Ca 0.00 -0.34 0.06 0.00 0.82 0.00 0.00 66.70 67.24 3g2x h VAL 18 Cb 0.89 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 3g2x h VAL 18 CO 0.04 0.05 0.41 0.00 0.02 0.00 0.00 177.57 178.09 3g2x h ALA 19 N -0.53 1.80 -0.68 1.67 0.00 -1.95 -0.37 119.26 119.20 3g2x h ALA 19 Ca -0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3g2x h ALA 19 Cb 0.60 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3g2x h ALA 19 CO 0.11 0.10 0.31 1.49 0.00 0.00 0.00 179.25 181.27 3g2x h GLU 20 N 0.61 0.99 0.11 0.00 4.57 -1.84 0.50 114.58 119.52 3g2x h GLU 20 Ca 0.27 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 3g2x h GLU 20 Cb 0.27 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 3g2x h GLU 20 CO -0.08 0.80 -0.05 0.82 -1.18 0.00 0.00 179.01 179.32 3g2x h ILE 21 N 0.95 1.10 -0.74 2.32 2.04 0.00 -2.84 117.51 120.35 3g2x h ILE 21 Ca 0.23 -1.10 0.01 0.00 1.00 0.00 0.00 64.86 65.00 3g2x h ILE 21 Cb 0.15 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 3g2x h ILE 21 CO -0.03 0.25 0.49 0.24 0.00 0.00 0.00 178.15 179.11 3g2x h MET 22 N -0.68 0.97 -0.09 2.37 2.86 -1.10 -1.65 114.93 117.59 3g2x h MET 22 Ca -0.01 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 3g2x h MET 22 Cb 0.53 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 3g2x h MET 22 CO 0.02 0.64 -0.09 0.78 1.06 0.00 0.00 176.91 179.33 3g2x h GLY 23 N 1.00 0.15 1.06 8.32 0.00 0.01 0.13 103.07 113.73 3g2x h GLY 23 Ca 0.27 -0.08 -0.16 0.00 0.00 0.00 0.00 47.33 47.36 3g2x h GLY 23 CO -0.06 0.07 -0.46 3.21 0.00 0.00 0.00 176.54 179.30 3g2x h ARG 24 N 0.14 0.78 -0.32 4.80 3.08 -1.04 -0.27 114.38 121.54 3g2x h ARG 24 Ca 0.03 -0.48 -0.13 0.00 0.07 0.00 0.00 59.98 59.46 3g2x h ARG 24 Cb 0.25 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 3g2x h ARG 24 CO 0.01 1.11 -0.33 0.82 -1.07 0.00 0.00 179.97 180.52 3g2x h ILE 25 N 0.52 1.29 -0.15 2.04 2.04 -1.33 -2.95 117.51 118.98 3g2x h ILE 25 Ca 0.02 -1.50 0.03 0.00 1.00 0.00 0.00 64.86 64.41 3g2x h ILE 25 Cb 1.07 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.64 3g2x h ILE 25 CO 0.10 0.49 -0.05 -0.08 0.00 0.00 0.00 178.15 178.61 3g2x h GLU 26 N 0.55 -0.02 -1.06 2.37 4.81 -0.69 -1.96 114.58 118.58 3g2x h GLU 26 Ca 0.05 0.00 0.29 0.00 -0.13 0.00 0.00 59.36 59.57 3g2x h GLU 26 Cb 0.91 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.18 3g2x h GLU 26 CO 0.08 -0.01 0.66 0.87 -0.73 0.00 0.00 179.01 179.88 3g2x h LYS 27 N -0.02 0.38 -0.13 1.92 6.56 -1.04 0.42 116.57 124.65 3g2x h LYS 27 Ca 0.08 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 3g2x h LYS 27 Cb 0.14 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.71 3g2x h LYS 27 CO -0.17 0.25 0.00 1.17 -2.06 0.00 0.00 179.45 178.64 3g2x n LYS 28 N -4.74 1.34 -2.24 3.15 4.81 -0.75 -4.89 118.16 114.84 3g2x n LYS 28 Ca 0.28 -0.52 -0.06 0.00 -0.87 0.00 0.00 58.31 57.14 3g2x n LYS 28 Cb 0.93 -1.16 0.00 0.00 0.02 0.00 0.00 35.03 34.82 3g2x n LYS 28 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3g2x n ASN 29 N -0.11 -2.51 -4.79 3.14 5.15 0.14 -5.04 115.26 111.23 3g2x n ASN 29 Ca 0.07 -0.03 -0.38 0.00 -0.60 0.00 0.00 54.58 53.64 3g2x n ASN 29 Cb 0.14 -1.72 -0.06 0.00 -0.53 0.00 0.00 39.78 37.61 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 3.67 -0.13 1.20 0.40 -1.13 -4.93 117.98 114.62 3g2x s PHE 30 Ca 0.03 1.00 -0.03 0.00 -0.60 0.00 0.00 56.93 57.33 3g2x s PHE 30 Cb -0.01 -2.41 -0.03 0.00 0.51 0.00 0.00 43.02 41.08 3g2x s PHE 30 CO 0.04 0.48 -0.01 0.15 0.70 0.00 0.00 175.22 176.57 3g2x s LYS 31 N -0.52 3.43 -0.01 0.44 -0.14 -0.93 -4.46 119.74 117.55 3g2x s LYS 31 Ca 0.25 -0.45 -0.30 0.00 -1.36 0.00 0.00 55.97 54.10 3g2x s LYS 31 Cb -0.17 -2.90 -0.06 0.00 -1.68 0.00 0.00 37.83 33.03 3g2x s LYS 31 CO 0.13 0.43 1.44 0.42 -0.76 0.00 0.00 175.35 177.01 3g2x s ILE 32 N -0.14 3.66 -0.15 2.17 1.01 -1.26 -1.15 121.20 125.34 3g2x s ILE 32 Ca 0.04 1.03 0.16 0.00 0.00 0.00 0.00 60.65 61.88 3g2x s ILE 32 Cb -0.13 -3.66 -0.24 0.00 0.01 0.00 0.00 42.46 38.44 3g2x s ILE 32 CO 0.02 -0.01 0.24 0.52 0.00 0.00 0.00 174.94 175.71 3g2x n VAL 33 N 4.76 1.46 -3.53 2.92 0.31 -0.23 -4.96 118.33 119.06 3g2x n VAL 33 Ca 0.14 -0.84 -0.11 0.00 -0.01 0.00 0.00 64.34 63.51 3g2x n VAL 33 Cb 0.43 -0.63 -0.04 0.00 -0.91 0.00 0.00 33.84 32.69 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 -5.67 -0.44 -0.24 4.52 1.04 -1.22 -5.00 113.70 106.70 3g2x s SER 34 Ca -0.08 0.28 -0.19 0.00 0.48 0.00 0.00 55.95 56.44 3g2x s SER 34 Cb 0.07 0.40 0.07 0.00 0.10 0.00 0.00 66.02 66.66 3g2x s SER 34 CO 0.83 -0.55 0.62 -0.32 0.98 0.00 0.00 173.24 174.79 3g2x s MET 35 N -2.08 0.68 -0.02 4.02 0.00 -1.26 -1.38 119.30 119.27 3g2x s MET 35 Ca -0.01 0.95 0.02 0.00 0.00 0.00 0.00 55.69 56.65 3g2x s MET 35 Cb -0.01 0.26 0.00 0.00 0.00 0.00 0.00 34.83 35.08 3g2x s MET 35 CO -0.02 -0.11 -0.06 0.21 0.00 0.00 0.00 175.02 175.04 3g2x s LYS 36 N 0.78 0.67 -0.13 4.11 2.20 -0.68 -5.01 119.74 121.69 3g2x s LYS 36 Ca -0.04 -0.20 -0.16 0.00 -0.36 0.00 0.00 55.97 55.21 3g2x s LYS 36 Cb -0.05 -0.66 -0.05 0.00 -1.51 0.00 0.00 37.83 35.57 3g2x s LYS 36 CO -0.06 0.07 0.37 0.12 -0.36 0.00 0.00 175.35 175.50 3g2x s PHE 37 N 0.20 3.51 -0.27 4.03 5.36 -1.26 -1.48 117.98 128.07 3g2x s PHE 37 Ca -0.02 0.75 0.00 0.00 -0.96 0.00 0.00 56.93 56.70 3g2x s PHE 37 Cb -0.07 -2.41 0.05 0.00 -0.34 0.00 0.00 43.02 40.24 3g2x s PHE 37 CO -0.00 0.25 -0.07 -1.58 -1.46 0.00 0.00 175.22 172.36 3g2x s TRP 38 N 0.37 3.19 0.49 10.12 0.52 0.00 -4.97 118.94 128.67 3g2x s TRP 38 Ca 0.21 -1.98 0.14 0.00 0.02 0.00 0.00 56.10 54.49 3g2x s TRP 38 Cb -0.14 -2.01 1.17 0.00 -1.15 0.00 0.00 33.47 31.34 3g2x s TRP 38 CO 0.07 -0.82 2.12 0.66 0.02 0.00 0.00 176.95 179.00 3g2x h SER 39 N 7.90 0.12 -1.12 2.95 4.64 -1.93 -1.03 113.55 125.09 3g2x h SER 39 Ca -0.24 -0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.21 3g2x h SER 39 Cb 1.07 -0.03 -0.22 0.00 -0.31 0.00 0.00 62.40 62.91 3g2x h SER 39 CO 0.52 0.09 -0.02 -0.75 -0.87 0.00 0.00 176.83 175.80 3g2x s LYS 40 N -5.18 0.42 0.32 4.77 2.20 -1.26 -3.29 119.74 117.72 3g2x s LYS 40 Ca -0.06 0.91 -0.29 0.00 -0.36 0.00 0.00 55.97 56.18 3g2x s LYS 40 Cb 0.17 0.53 -0.10 0.00 -1.51 0.00 0.00 37.83 36.92 3g2x s LYS 40 CO 0.69 -0.29 1.30 0.00 -0.36 0.00 0.00 175.35 176.69 3g2x s ALA 41 N 2.77 3.50 0.28 3.13 0.00 -1.26 -4.99 121.76 125.19 3g2x s ALA 41 Ca 0.04 1.24 -0.30 0.00 0.00 0.00 0.00 51.96 52.93 3g2x s ALA 41 Cb -0.11 -3.47 -0.11 0.00 0.00 0.00 0.00 23.12 19.43 3g2x s ALA 41 CO -0.18 -0.61 1.54 -2.14 0.00 0.00 0.00 175.76 174.37 3g2x s PRO 42 N -1.59 4.17 0.52 0.00 0.02 -1.26 -4.85 135.00 132.01 3g2x s PRO 42 Ca 0.50 2.48 0.24 0.00 0.02 0.00 0.00 61.00 64.24 3g2x s PRO 42 Cb -0.39 -3.05 1.42 0.00 0.02 0.00 0.00 34.50 32.50 3g2x s PRO 42 CO 0.51 -0.56 2.10 -0.09 -0.33 0.00 0.00 177.00 178.64 3g2x h ARG 43 N 4.88 0.00 -0.67 5.54 2.43 -1.97 -1.57 114.38 123.02 3g2x h ARG 43 Ca -0.47 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.63 3g2x h ARG 43 Cb 1.22 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 3g2x h ARG 43 CO 0.78 0.10 0.11 -2.95 -1.51 0.00 0.00 179.97 176.51 3g2x h ASN 44 N 0.00 1.05 -0.64 -3.80 7.08 -1.99 0.29 115.58 117.58 3g2x h ASN 44 Ca -0.00 -0.25 -0.01 0.00 -3.08 0.00 0.00 56.30 52.97 3g2x h ASN 44 Cb 0.23 -0.28 -0.03 0.00 -2.08 0.00 0.00 38.32 36.16 3g2x h ASN 44 CO 0.01 1.04 0.37 -0.07 -2.08 0.00 0.00 177.43 176.70 3g2x h LEU 45 N 1.03 0.77 0.30 6.14 4.07 -1.67 0.24 115.31 126.19 3g2x h LEU 45 Ca 0.20 -0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 3g2x h LEU 45 Cb 0.43 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.98 3g2x h LEU 45 CO 0.01 0.62 -0.14 0.40 -1.08 0.00 0.00 178.44 178.25 3g2x h ILE 46 N 0.86 0.72 -0.55 1.22 1.08 -1.12 0.15 117.51 119.88 3g2x h ILE 46 Ca 0.23 -0.14 0.01 0.00 -0.39 0.00 0.00 64.86 64.56 3g2x h ILE 46 Cb -0.00 0.81 -0.03 0.00 -3.07 0.00 0.00 36.82 34.53 3g2x h ILE 46 CO -0.04 0.03 0.37 -0.33 -0.69 0.00 0.00 178.15 177.49 3g2x h GLU 47 N -0.48 0.73 0.44 2.37 5.08 -0.30 0.39 114.58 122.81 3g2x h GLU 47 Ca -0.04 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3g2x h GLU 47 Cb 0.36 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3g2x h GLU 47 CO 0.07 0.48 -0.21 1.96 -1.00 0.00 0.00 179.01 180.31 3g2x h GLN 48 N 0.75 -0.57 -1.00 2.33 1.08 -0.72 0.40 115.11 117.39 3g2x h GLN 48 Ca 0.20 0.04 0.15 0.00 -1.45 0.00 0.00 58.65 57.59 3g2x h GLN 48 Cb -0.09 0.13 -0.09 0.00 -0.05 0.00 0.00 27.48 27.38 3g2x h GLN 48 CO -0.04 -0.36 0.62 1.25 -0.95 0.00 0.00 178.83 179.35 3g2x h HIS 49 N -0.61 1.09 -0.44 2.96 2.76 0.27 -1.05 115.15 120.14 3g2x h HIS 49 Ca -0.06 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.05 3g2x h HIS 49 Cb 0.47 -0.34 -0.06 0.00 1.55 0.00 0.00 27.41 29.03 3g2x h HIS 49 CO -0.04 0.36 0.06 0.66 -1.30 0.00 0.00 177.93 177.67 3g2x n TYR 50 N -4.67 1.50 -0.33 5.26 4.02 0.03 -4.71 117.16 118.26 3g2x n TYR 50 Ca 0.21 -1.08 0.16 0.00 -0.01 0.00 0.00 57.90 57.17 3g2x n TYR 50 Cb 0.45 -0.47 0.38 0.00 -0.02 0.00 0.00 39.34 39.69 3g2x n TYR 50 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 3g2x h LYS 51 N 2.09 0.62 0.00 -0.72 2.10 0.12 0.37 116.57 121.16 3g2x h LYS 51 Ca 0.11 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 3g2x h LYS 51 Cb 1.78 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.97 3g2x h LYS 51 CO 0.42 0.41 0.04 0.39 -2.00 0.00 0.00 179.45 178.72 3g2x n GLU 52 N -4.71 0.07 -0.04 0.07 1.02 -1.26 -2.02 120.64 113.78 3g2x n GLU 52 Ca 0.23 0.56 0.07 0.00 -0.02 0.00 0.00 57.16 58.00 3g2x n GLU 52 Cb 0.64 -1.79 0.08 0.00 -0.02 0.00 0.00 31.44 30.36 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 -1.90 0.10 0.26 -0.32 8.25 0.13 -4.71 115.22 117.03 3g2x n HIS 53 Ca -0.01 -0.08 0.13 0.00 -0.26 0.00 0.00 57.72 57.50 3g2x n HIS 53 Cb 0.06 -0.00 0.69 0.00 1.12 0.00 0.00 29.99 31.86 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 2.87 0.00 -0.55 0.41 4.64 -1.46 -1.87 113.55 117.59 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 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3g2x h SER 54 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 3g2x n GLU 55 N -2.58 2.97 -3.75 4.77 -0.58 -1.26 -4.94 120.64 115.27 3g2x n GLU 55 Ca -0.02 -2.49 -0.27 0.00 -0.42 0.00 0.00 57.16 53.97 3g2x n GLU 55 Cb 0.29 -1.53 -0.03 0.00 -0.57 0.00 0.00 31.44 29.60 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 -1.25 3.50 0.48 3.49 -1.52 -0.70 -4.99 119.66 118.67 3g2x s GLN 56 Ca 0.39 -0.40 0.17 0.00 -1.95 0.00 0.00 55.36 53.57 3g2x s GLN 56 Cb 0.22 -2.87 1.17 0.00 -0.22 0.00 0.00 33.01 31.32 3g2x s GLN 56 CO 0.24 0.43 2.03 0.66 -0.25 0.00 0.00 175.29 178.40 3g2x h SER 57 N 2.02 0.19 1.22 5.90 4.64 -1.94 -2.59 113.55 122.98 3g2x h SER 57 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3g2x h SER 57 Cb 1.19 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3g2x h SER 57 CO 0.68 0.12 -0.62 0.10 -0.87 0.00 0.00 176.83 176.24 3g2x h TYR 58 N 0.21 0.00 -1.00 4.77 -0.00 -1.94 -3.40 116.97 115.61 3g2x h TYR 58 Ca 0.19 0.00 0.24 0.00 0.00 0.00 0.00 58.73 59.16 3g2x h TYR 58 Cb 0.48 0.00 -0.19 0.00 0.00 0.00 0.00 36.73 37.02 3g2x h TYR 58 CO -0.00 0.00 -0.10 0.35 -0.00 0.00 0.00 178.16 178.41 3g2x h PHE 59 N 0.00 -0.27 -0.24 0.10 3.04 -1.70 0.15 116.94 118.02 3g2x h PHE 59 Ca 0.00 0.08 -0.19 0.00 3.98 0.00 0.00 57.97 61.84 3g2x h PHE 59 Cb 0.92 0.28 0.00 0.00 2.56 0.00 0.00 35.95 39.71 3g2x h PHE 59 CO 0.00 -0.44 -0.60 -0.91 -2.02 0.00 0.00 178.31 174.34 3g2x h ASN 60 N 0.00 0.90 -0.19 0.41 2.35 -1.82 -2.08 115.58 115.15 3g2x h ASN 60 Ca 0.55 -0.51 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 3g2x h ASN 60 Cb 1.02 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 3g2x h ASN 60 CO -0.98 1.29 -0.03 0.44 -1.65 0.00 0.00 177.43 176.51 3g2x h ASP 61 N 0.59 0.36 -0.76 5.81 3.32 -1.42 -0.91 116.42 123.41 3g2x h ASP 61 Ca -0.00 -0.35 0.17 0.00 0.02 0.00 0.00 57.03 56.88 3g2x h ASP 61 Cb 1.21 -0.10 -0.12 0.00 0.22 0.00 0.00 39.33 40.54 3g2x h ASP 61 CO 0.13 0.62 0.13 0.25 -1.72 0.00 0.00 179.24 178.65 3g2x h LEU 62 N 0.09 -0.10 -0.23 1.55 5.85 -0.72 0.69 115.31 122.45 3g2x h LEU 62 Ca 0.05 0.17 -0.19 0.00 0.84 0.00 0.00 57.88 58.75 3g2x h LEU 62 Cb 0.45 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.74 3g2x h LEU 62 CO 0.02 -0.10 -0.59 0.00 -0.34 0.00 0.00 178.44 177.43 3g2x h ASP 64 N 0.54 0.55 -0.41 0.00 3.32 -0.61 -2.52 116.42 117.28 3g2x h ASP 64 Ca -0.01 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 3g2x h ASP 64 Cb 1.21 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 3g2x h ASP 64 CO 0.13 0.35 0.16 0.15 -1.72 0.00 0.00 179.24 178.31 3g2x h PHE 65 N 0.68 0.63 0.00 4.55 3.04 -0.63 -1.93 116.94 123.28 3g2x h PHE 65 Ca 0.30 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.20 3g2x h PHE 65 Cb 0.18 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.50 3g2x h PHE 65 CO -0.08 0.56 0.00 -1.33 -2.02 0.00 0.00 178.31 175.44 3g2x n MET 66 N -4.63 0.17 0.00 1.11 2.81 -0.59 -1.26 117.12 114.74 3g2x n MET 66 Ca 0.00 0.18 0.03 0.00 -1.81 0.00 0.00 57.70 56.10 3g2x n MET 66 Cb 0.15 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.15 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 -1.29 0.00 0.33 2.03 0.24 -0.95 -4.59 118.33 114.10 3g2x n VAL 67 Ca 0.06 -0.41 0.04 0.00 -2.04 0.00 0.00 64.34 61.98 3g2x n VAL 67 Cb 0.09 1.06 0.19 0.00 -1.47 0.00 0.00 33.84 33.72 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 -0.51 0.00 -2.84 -1.34 3.41 -0.39 -4.83 113.62 107.12 3g2x n SER 68 Ca 0.02 0.40 -0.02 0.00 -0.26 0.00 0.00 58.87 59.02 3g2x n SER 68 Cb 0.13 -0.44 0.02 0.00 -0.26 0.00 0.00 64.21 63.66 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 -0.60 0.69 3.55 5.00 0.00 -1.26 -5.08 105.19 107.48 3g2x n GLY 69 Ca 0.03 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.03 -0.30 -0.06 1.61 0.02 -1.21 -4.61 135.00 128.42 3g2x s PRO 70 Ca 0.19 1.01 -0.17 0.00 0.02 0.00 0.00 61.00 62.05 3g2x s PRO 70 Cb -0.02 -1.61 0.03 0.00 0.02 0.00 0.00 34.50 32.92 3g2x s PRO 70 CO 0.04 -3.36 0.38 0.42 -0.33 0.00 0.00 177.00 174.15 3g2x s ILE 71 N -2.55 0.03 -0.15 2.83 1.01 -0.39 -2.85 121.20 119.14 3g2x s ILE 71 Ca 0.68 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 61.06 3g2x s ILE 71 Cb -0.24 -0.65 0.01 0.00 0.01 0.00 0.00 42.46 41.60 3g2x s ILE 71 CO 0.62 -0.15 -0.20 -0.63 0.00 0.00 0.00 174.94 174.58 3g2x s ILE 72 N -0.87 1.97 -0.22 2.92 1.01 -0.75 -0.82 121.20 124.44 3g2x s ILE 72 Ca -0.09 -0.91 -0.12 0.00 0.00 0.00 0.00 60.65 59.52 3g2x s ILE 72 Cb -0.04 -1.76 -0.05 0.00 0.01 0.00 0.00 42.46 40.62 3g2x s ILE 72 CO 0.04 0.53 0.25 -0.94 0.00 0.00 0.00 174.94 174.82 3g2x s SER 73 N 0.99 6.24 -0.05 3.58 1.04 -0.55 -0.92 113.70 124.03 3g2x s SER 73 Ca -0.03 0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.68 3g2x s SER 73 Cb -0.15 -2.15 0.02 0.00 0.10 0.00 0.00 66.02 63.84 3g2x s SER 73 CO -0.05 0.02 -0.07 -0.63 0.98 0.00 0.00 173.24 173.49 3g2x s ILE 74 N 1.13 0.70 -0.29 -1.02 1.01 0.18 -1.68 121.20 121.24 3g2x s ILE 74 Ca 0.12 -0.22 -0.20 0.00 0.00 0.00 0.00 60.65 60.34 3g2x s ILE 74 Cb -0.14 -0.69 -0.01 0.00 0.01 0.00 0.00 42.46 41.63 3g2x s ILE 74 CO 0.06 0.26 0.62 -0.69 0.00 0.00 0.00 174.94 175.19 3g2x s VAL 75 N 0.82 4.96 0.05 2.92 1.01 -0.48 -0.11 120.40 129.57 3g2x s VAL 75 Ca -0.12 0.93 0.01 0.00 0.00 0.00 0.00 61.98 62.80 3g2x s VAL 75 Cb -0.15 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 3g2x s VAL 75 CO 0.01 -0.08 0.13 -0.31 0.00 0.00 0.00 175.10 174.85 3g2x s TYR 76 N 2.56 3.34 -0.02 5.22 1.51 0.04 -1.07 117.35 128.92 3g2x s TYR 76 Ca 0.25 0.18 0.01 0.00 -1.01 0.00 0.00 57.07 56.50 3g2x s TYR 76 Cb -0.15 -1.70 0.01 0.00 -0.11 0.00 0.00 41.96 40.01 3g2x s TYR 76 CO 0.11 0.56 -0.05 -2.00 -1.11 0.00 0.00 175.55 173.06 3g2x s GLU 77 N -2.25 0.62 0.00 -0.62 2.12 -0.30 -1.23 118.70 117.04 3g2x s GLU 77 Ca 0.29 -0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.49 3g2x s GLU 77 Cb -0.12 -0.64 0.00 0.00 0.26 0.00 0.00 34.13 33.63 3g2x s GLU 77 CO 0.22 0.00 0.00 0.41 -0.54 0.00 0.00 175.26 175.35 3g2x n GLY 78 N 3.57 0.74 3.50 -1.50 0.00 -0.88 -2.19 105.19 108.43 3g2x n GLY 78 Ca -0.21 -0.76 -0.47 0.00 0.00 0.00 0.00 46.02 44.59 3g2x n GLY 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3g2x n THR 79 N -0.12 0.19 -2.01 2.61 -1.04 -1.26 -1.51 114.28 111.14 3g2x n THR 79 Ca 0.00 -0.36 -0.07 0.00 -2.04 0.00 0.00 64.05 61.58 3g2x n THR 79 Cb 0.00 -1.97 -0.01 0.00 -1.82 0.00 0.00 70.33 66.53 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 11.04 -2.77 -0.32 8.00 10.43 -1.26 -4.89 116.55 136.77 3g2x n ASP 80 Ca 0.39 0.02 0.35 0.00 2.57 0.00 0.00 54.79 58.11 3g2x n ASP 80 Cb 0.31 -1.95 0.74 0.00 1.84 0.00 0.00 41.12 42.07 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 0.28 3.08 0.01 2.24 0.00 -1.51 -1.74 119.26 121.62 3g2x h ALA 81 Ca -0.16 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3g2x h ALA 81 Cb 1.03 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3g2x h ALA 81 CO 0.19 -1.42 -0.00 0.82 0.00 0.00 0.00 179.25 178.84 3g2x h ILE 82 N 0.02 1.60 -0.09 0.00 2.04 -1.87 -0.06 117.51 119.16 3g2x h ILE 82 Ca 0.56 -1.92 -0.11 0.00 1.00 0.00 0.00 64.86 64.39 3g2x h ILE 82 Cb 2.22 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 41.19 3g2x h ILE 82 CO -0.02 0.49 -0.36 0.77 0.00 0.00 0.00 178.15 179.02 3g2x h SER 83 N -0.85 0.47 -0.27 1.72 4.64 -1.85 -1.61 113.55 115.80 3g2x h SER 83 Ca -0.00 -0.64 0.07 0.00 -0.47 0.00 0.00 61.79 60.75 3g2x h SER 83 Cb 0.81 -0.14 -0.07 0.00 -0.31 0.00 0.00 62.40 62.69 3g2x h SER 83 CO 0.00 1.03 -0.21 0.11 -0.87 0.00 0.00 176.83 176.89 3g2x h LYS 84 N -0.06 -0.19 -0.31 4.77 1.57 -1.40 0.16 116.57 121.11 3g2x h LYS 84 Ca -0.02 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 3g2x h LYS 84 Cb 1.01 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 3g2x h LYS 84 CO 0.08 -0.13 -0.20 0.82 -0.57 0.00 0.00 179.45 179.46 3g2x h ILE 85 N -0.19 1.26 -1.01 1.86 2.04 -1.07 -1.98 117.51 118.41 3g2x h ILE 85 Ca 0.15 -1.21 0.05 0.00 1.00 0.00 0.00 64.86 64.85 3g2x h ILE 85 Cb 0.42 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 37.67 3g2x h ILE 85 CO -0.39 0.39 0.66 0.03 0.00 0.00 0.00 178.15 178.84 3g2x h ARG 86 N 0.52 1.19 -0.00 2.37 2.47 -0.22 0.68 114.38 121.38 3g2x h ARG 86 Ca 0.08 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.73 3g2x h ARG 86 Cb 0.63 -0.27 -0.00 0.00 -1.65 0.00 0.00 29.97 28.68 3g2x h ARG 86 CO 0.04 0.78 0.00 0.00 0.56 0.00 0.00 179.97 181.36 3g2x h ARG 87 N 1.22 0.00 -0.59 0.04 3.08 -0.31 -2.32 114.38 115.51 3g2x h ARG 87 Ca 0.42 -0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.59 3g2x h ARG 87 Cb 0.10 -0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.05 3g2x h ARG 87 CO -0.15 0.16 0.03 -0.07 -1.07 0.00 0.00 179.97 178.87 3g2x h LEU 88 N -0.15 -0.20 -0.41 3.04 3.38 -0.83 -2.50 115.31 117.64 3g2x h LEU 88 Ca 0.00 0.14 0.07 0.00 0.09 0.00 0.00 57.88 58.18 3g2x h LEU 88 Cb 0.16 0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 3g2x h LEU 88 CO -0.00 -0.08 0.06 -0.61 0.09 0.00 0.00 178.44 177.90 3g2x h GLN 89 N 0.15 0.17 0.00 1.13 4.15 -0.57 -1.04 115.11 119.10 3g2x h GLN 89 Ca 0.31 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.72 3g2x h GLN 89 Cb 0.49 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.14 3g2x h GLN 89 CO -0.48 0.11 0.00 0.41 -1.93 0.00 0.00 178.83 176.95 3g2x n GLY 90 N -1.26 -0.44 3.73 2.39 0.00 -0.90 -1.90 105.19 106.82 3g2x n GLY 90 Ca 0.03 -1.69 -0.37 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.44 4.61 0.22 1.61 3.84 -1.26 -4.87 114.94 116.65 3g2x s ASN 91 Ca 0.00 2.60 -0.05 0.00 0.21 0.00 0.00 52.86 55.62 3g2x s ASN 91 Cb 0.00 -2.62 0.19 0.00 -0.55 0.00 0.00 41.25 38.27 3g2x s ASN 91 CO 0.00 -2.00 1.65 0.74 -2.79 0.00 0.00 177.10 174.70 3g2x h THR 92 N 0.53 1.27 -3.04 -5.21 2.02 -1.94 -3.39 112.91 103.13 3g2x h THR 92 Ca -0.51 -1.27 -0.57 0.00 0.77 0.00 0.00 66.41 64.83 3g2x h THR 92 Cb 1.33 1.11 -0.05 0.00 -1.74 0.00 0.00 68.15 68.80 3g2x h THR 92 CO 0.53 0.43 0.86 0.21 0.37 0.00 0.00 175.52 177.92 3g2x s ASN 93 N -6.72 6.98 0.48 4.18 3.84 -1.26 -4.53 114.94 117.91 3g2x s ASN 93 Ca -0.10 1.46 0.26 0.00 0.21 0.00 0.00 52.86 54.69 3g2x s ASN 93 Cb 0.13 -2.54 1.44 0.00 -0.55 0.00 0.00 41.25 39.73 3g2x s ASN 93 CO 0.84 -0.77 1.78 1.55 -2.79 0.00 0.00 177.10 177.71 3g2x h PRO 94 N 7.99 0.00 -0.07 0.43 0.13 -1.83 0.21 132.00 138.87 3g2x h PRO 94 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3g2x h PRO 94 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3g2x h PRO 94 CO 0.99 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.04 3g2x n LEU 95 N -2.53 1.16 0.00 1.56 4.77 -1.26 -4.42 117.00 116.28 3g2x n LEU 95 Ca -0.02 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 3g2x n LEU 95 Cb 0.19 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3g2x n LEU 95 CO 0.12 0.22 -0.18 0.00 -1.33 0.00 0.00 177.39 176.22 3g2x n ALA 96 N -0.06 1.38 -1.73 -1.18 0.00 0.67 -5.07 120.51 114.53 3g2x n ALA 96 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.20 3g2x n ALA 96 Cb 0.27 0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.80 3g2x n ALA 96 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3g2x n SER 97 N -1.06 3.70 -4.82 0.00 3.41 -0.76 -4.81 113.62 109.27 3g2x n SER 97 Ca 0.00 1.14 -0.34 0.00 -0.26 0.00 0.00 58.87 59.40 3g2x n SER 97 Cb 0.18 -1.56 -0.06 0.00 -0.26 0.00 0.00 64.21 62.50 3g2x n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g2x s ALA 98 N 0.14 3.24 0.35 7.33 0.00 -1.26 -4.56 121.76 127.00 3g2x s ALA 98 Ca 0.66 0.25 -0.28 0.00 0.00 0.00 0.00 51.96 52.59 3g2x s ALA 98 Cb -0.52 -2.96 -0.12 0.00 0.00 0.00 0.00 23.12 19.52 3g2x s ALA 98 CO 0.47 0.25 1.44 -2.30 0.00 0.00 0.00 175.76 175.61 3g2x n PRO 99 N -0.04 2.48 0.00 0.00 -0.02 -1.26 -1.96 135.00 134.19 3g2x n PRO 99 Ca 0.03 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3g2x n PRO 99 Cb 0.52 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 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 0.91 2.95 3.91 -1.23 0.00 -1.26 -4.97 105.19 105.50 3g2x n GLY 100 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.65 4.07 0.09 2.61 -4.23 -0.83 -4.94 115.64 109.75 3g2x s THR 101 Ca 0.00 -1.19 -0.24 0.00 -1.18 0.00 0.00 61.69 59.08 3g2x s THR 101 Cb 0.00 -3.38 -0.14 0.00 1.34 0.00 0.00 72.50 70.32 3g2x s THR 101 CO 0.00 -0.21 1.72 0.40 -0.54 0.00 0.00 174.62 175.99 3g2x h ILE 102 N 1.14 0.88 -0.19 2.99 2.04 -1.19 0.08 117.51 123.27 3g2x h ILE 102 Ca -0.46 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.26 3g2x h ILE 102 Cb 1.25 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 3g2x h ILE 102 CO 0.57 0.00 -0.45 0.03 0.00 0.00 0.00 178.15 178.30 3g2x h ARG 103 N -0.13 0.47 -0.49 2.37 3.08 -1.63 -0.76 114.38 117.30 3g2x h ARG 103 Ca -0.00 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 59.71 3g2x h ARG 103 Cb 0.11 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3g2x h ARG 103 CO -0.00 0.83 -0.03 0.78 -1.07 0.00 0.00 179.97 180.48 3g2x h GLY 104 N 1.13 0.89 1.24 0.04 0.00 -1.57 0.17 103.07 104.97 3g2x h GLY 104 Ca 0.03 -0.62 -0.31 0.00 0.00 0.00 0.00 47.33 46.42 3g2x h GLY 104 CO 0.08 0.58 -1.52 -0.55 0.00 0.00 0.00 176.54 175.12 3g2x h ASP 105 N 0.76 0.47 0.00 0.19 3.32 -0.91 -3.42 116.42 116.84 3g2x h ASP 105 Ca 0.14 -0.62 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3g2x h ASP 105 Cb 0.50 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3g2x h ASP 105 CO 0.03 1.51 -0.95 0.18 -1.72 0.00 0.00 179.24 178.28 3g2x n LEU 106 N -3.50 0.00 -4.91 1.55 4.77 -0.30 -5.04 117.00 109.57 3g2x n LEU 106 Ca -0.17 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.50 3g2x n LEU 106 Cb 1.05 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 42.10 3g2x n LEU 106 CO 0.52 0.00 -0.02 0.00 -1.33 0.00 0.00 177.39 176.56 3g2x s ALA 107 N -1.91 3.85 -0.24 -1.18 0.00 0.57 -5.00 121.76 117.86 3g2x s ALA 107 Ca 0.00 -0.65 0.20 0.00 0.00 0.00 0.00 51.96 51.51 3g2x s ALA 107 Cb 0.00 -2.04 0.46 0.00 0.00 0.00 0.00 23.12 21.54 3g2x s ALA 107 CO 0.00 0.70 1.21 -1.71 0.00 0.00 0.00 175.76 175.96 3g2x n ASN 108 N 0.09 0.70 -3.59 0.00 5.15 -1.26 -4.73 115.26 111.61 3g2x n ASN 108 Ca -0.03 -2.06 -0.11 0.00 -0.60 0.00 0.00 54.58 51.77 3g2x n ASN 108 Cb 0.52 -0.16 -0.06 0.00 -0.53 0.00 0.00 39.78 39.55 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 -2.88 -0.45 0.25 1.20 -1.08 -1.26 -4.99 116.67 107.46 3g2x s ASP 109 Ca 0.23 0.64 -0.00 0.00 -0.52 0.00 0.00 52.55 52.89 3g2x s ASP 109 Cb 0.34 0.57 0.30 0.00 -1.46 0.00 0.00 42.92 42.67 3g2x s ASP 109 CO -0.07 -0.31 1.67 -0.29 0.52 0.00 0.00 175.17 176.68 3g2x h ILE 110 N 3.00 1.28 0.00 4.11 6.09 -1.98 -3.35 117.51 126.66 3g2x h ILE 110 Ca -0.23 -1.36 -0.41 0.00 -1.37 0.00 0.00 64.86 61.49 3g2x h ILE 110 Cb 1.16 1.36 -0.07 0.00 0.47 0.00 0.00 36.82 39.74 3g2x h ILE 110 CO 0.25 0.44 -2.49 -1.14 -3.07 0.00 0.00 178.15 172.14 3g2x n ARG 111 N -4.10 0.63 -2.57 2.19 0.63 -1.26 -4.60 116.66 107.58 3g2x n ARG 111 Ca -0.01 0.19 -0.43 0.00 -0.92 0.00 0.00 57.85 56.68 3g2x n ARG 111 Cb 0.44 -1.52 0.00 0.00 0.45 0.00 0.00 32.46 31.83 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 -3.59 3.28 -0.14 -0.14 1.02 -1.26 -4.68 120.64 115.13 3g2x n GLU 112 Ca -0.48 -3.44 0.08 0.00 -0.02 0.00 0.00 57.16 53.30 3g2x n GLU 112 Cb 0.96 -3.23 0.15 0.00 -0.02 0.00 0.00 31.44 29.30 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 6.47 2.65 0.00 1.62 0.23 -1.26 -4.28 115.26 120.69 3g2x n ASN 113 Ca 0.44 -2.91 0.00 0.00 -0.53 0.00 0.00 54.58 51.57 3g2x n ASN 113 Cb 0.43 -0.40 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 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 -1.07 0.00 -3.82 -4.53 4.77 -1.26 -4.81 117.00 106.28 3g2x n LEU 114 Ca 0.15 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.00 3g2x n LEU 114 Cb 0.64 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.59 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 -0.02 0.03 -0.08 2.07 -1.26 -0.36 121.20 121.58 3g2x s ILE 115 Ca 0.00 0.06 0.02 0.00 -1.41 0.00 0.00 60.65 59.31 3g2x s ILE 115 Cb 0.00 -0.13 -0.04 0.00 0.13 0.00 0.00 42.46 42.43 3g2x s ILE 115 CO 0.00 0.02 0.05 -2.28 -1.91 0.00 0.00 174.94 170.82 3g2x s HIS 116 N 0.37 3.16 -0.05 3.50 5.65 0.90 -4.92 115.29 123.90 3g2x s HIS 116 Ca -0.03 0.11 -0.05 0.00 0.25 0.00 0.00 55.06 55.35 3g2x s HIS 116 Cb -0.04 -1.67 0.01 0.00 -1.18 0.00 0.00 32.58 29.71 3g2x s HIS 116 CO -0.01 0.51 0.14 0.00 -0.65 0.00 0.00 174.74 174.72 3g2x s ALA 117 N -1.22 -0.34 0.54 1.58 0.00 -1.26 -0.60 121.76 120.46 3g2x s ALA 117 Ca 0.24 0.38 -0.21 0.00 0.00 0.00 0.00 51.96 52.36 3g2x s ALA 117 Cb -0.12 -0.22 -0.06 0.00 0.00 0.00 0.00 23.12 22.72 3g2x s ALA 117 CO 0.15 -0.07 1.16 0.43 0.00 0.00 0.00 175.76 177.44 3g2x n SER 118 N 2.98 1.80 -0.00 0.00 7.64 -0.74 -4.93 113.62 120.37 3g2x n SER 118 Ca -0.13 0.94 0.10 0.00 1.01 0.00 0.00 58.87 60.79 3g2x n SER 118 Cb 0.59 -1.47 -0.13 0.00 -1.01 0.00 0.00 64.21 62.19 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 -0.60 0.77 -3.82 6.43 5.68 -1.26 -4.79 116.55 118.96 3g2x n ASP 119 Ca 0.11 -0.75 -0.06 0.00 -0.50 0.00 0.00 54.79 53.59 3g2x n ASP 119 Cb 0.44 1.24 -0.02 0.00 -1.14 0.00 0.00 41.12 41.64 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 -3.32 -0.24 0.35 -1.12 1.04 -1.26 -4.94 113.70 104.20 3g2x s SER 120 Ca 0.04 -0.54 0.03 0.00 0.48 0.00 0.00 55.95 55.96 3g2x s SER 120 Cb 0.15 0.66 0.67 0.00 0.10 0.00 0.00 66.02 67.60 3g2x s SER 120 CO 0.86 -1.22 1.99 -0.33 0.98 0.00 0.00 173.24 175.52 3g2x h GLU 121 N 2.00 0.81 0.00 4.02 5.08 -1.95 0.17 114.58 124.71 3g2x h GLU 121 Ca -0.21 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3g2x h GLU 121 Cb 1.25 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3g2x h GLU 121 CO 0.24 0.54 0.00 -0.25 -1.00 0.00 0.00 179.01 178.54 3g2x n ASP 122 N -4.46 0.00 0.28 1.42 10.43 -1.26 -2.51 116.55 120.45 3g2x n ASP 122 Ca 0.08 0.67 0.15 0.00 2.57 0.00 0.00 54.79 58.26 3g2x n ASP 122 Cb 0.12 -0.17 0.78 0.00 1.84 0.00 0.00 41.12 43.69 3g2x n ASP 122 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 3g2x h SER 123 N 0.00 0.00 -0.71 -2.24 4.64 -1.92 -0.65 113.55 112.67 3g2x h SER 123 Ca 0.00 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 3g2x h SER 123 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 3g2x h SER 123 CO 0.00 0.09 0.34 0.00 -0.87 0.00 0.00 176.83 176.38 3g2x h ALA 124 N 1.91 0.97 0.22 5.18 0.00 -0.57 -0.61 119.26 126.37 3g2x h ALA 124 Ca -0.00 0.06 -0.33 0.00 0.00 0.00 0.00 54.91 54.64 3g2x h ALA 124 Cb 0.34 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.13 3g2x h ALA 124 CO 0.01 -0.08 -1.50 0.28 0.00 0.00 0.00 179.25 177.96 3g2x h VAL 125 N 0.56 1.26 0.10 0.00 2.07 -0.82 -2.07 116.25 117.35 3g2x h VAL 125 Ca 0.35 -2.73 0.02 0.00 0.82 0.00 0.00 66.70 65.16 3g2x h VAL 125 Cb 0.40 2.98 -0.04 0.00 -1.52 0.00 0.00 31.29 33.11 3g2x h VAL 125 CO -0.29 0.83 -0.33 0.44 0.02 0.00 0.00 177.57 178.24 3g2x h ASP 126 N 0.13 -0.95 -0.36 0.57 3.32 -1.44 -1.39 116.42 116.29 3g2x h ASP 126 Ca -0.25 0.11 -0.11 0.00 0.02 0.00 0.00 57.03 56.80 3g2x h ASP 126 Cb 2.13 0.37 -0.02 0.00 0.22 0.00 0.00 39.33 42.03 3g2x h ASP 126 CO 0.25 -0.41 -0.18 -0.33 -1.72 0.00 0.00 179.24 176.85 3g2x h GLU 127 N -0.54 0.84 -0.65 3.56 5.08 -1.19 -0.79 114.58 120.89 3g2x h GLU 127 Ca 0.04 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 57.99 3g2x h GLU 127 Cb 0.58 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 3g2x h GLU 127 CO -0.21 0.95 0.09 0.82 -1.00 0.00 0.00 179.01 179.67 3g2x h ILE 128 N 0.74 1.26 -0.16 3.13 2.04 -1.34 -2.38 117.51 120.80 3g2x h ILE 128 Ca 0.11 -1.04 -0.09 0.00 1.00 0.00 0.00 64.86 64.84 3g2x h ILE 128 Cb 0.70 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3g2x h ILE 128 CO 0.05 0.39 -0.31 0.77 0.00 0.00 0.00 178.15 179.06 3g2x h SER 129 N 1.01 0.32 -0.20 1.72 4.64 -0.63 0.45 113.55 120.85 3g2x h SER 129 Ca 0.20 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 3g2x h SER 129 Cb 0.45 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3g2x h SER 129 CO 0.01 0.62 0.05 0.40 -0.87 0.00 0.00 176.83 177.04 3g2x h ILE 130 N 0.28 1.21 0.00 0.95 2.04 -0.96 -3.30 117.51 117.73 3g2x h ILE 130 Ca 0.04 -0.67 -0.11 0.00 1.00 0.00 0.00 64.86 65.11 3g2x h ILE 130 Cb 0.68 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 3g2x h ILE 130 CO 0.05 0.21 -1.27 0.79 0.00 0.00 0.00 178.15 177.93 3g2x n TRP 131 N -4.76 0.99 -3.50 1.37 7.02 -0.92 -4.67 117.44 112.98 3g2x n TRP 131 Ca -0.04 0.32 -0.29 0.00 -1.02 0.00 0.00 57.50 56.47 3g2x n TRP 131 Cb 0.17 -1.05 -0.13 0.00 -2.42 0.00 0.00 31.31 27.88 3g2x n TRP 131 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 3g2x s PHE 132 N -3.07 0.76 -1.38 -5.99 0.08 0.16 -5.02 117.98 103.52 3g2x s PHE 132 Ca -0.02 -1.55 0.11 0.00 0.12 0.00 0.00 56.93 55.59 3g2x s PHE 132 Cb 0.09 -1.00 0.09 0.00 -0.57 0.00 0.00 43.02 41.63 3g2x s PHE 132 CO 0.80 -0.83 0.85 -0.35 -0.10 0.00 0.00 175.22 175.60