#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gn3 h HIS 2 N 0.00 0.00 0.00 1.12 -0.00 -1.99 -3.35 115.15 110.93 3gn3 h HIS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3gn3 h HIS 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 3gn3 h HIS 2 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.93 176.80 3gn3 n SER 3 N -2.50 0.00 0.00 2.45 3.41 -1.26 -3.18 113.62 112.54 3gn3 n SER 3 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 3gn3 n SER 3 Cb 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 3gn3 n SER 3 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3gn3 n ASP 4 N -0.54 2.04 0.14 4.04 -0.08 -1.26 -4.84 116.55 116.05 3gn3 n ASP 4 Ca 0.00 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.41 3gn3 n ASP 4 Cb 0.00 0.31 0.45 0.00 2.34 0.00 0.00 41.12 44.22 3gn3 n ASP 4 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3gn3 h ALA 5 N 0.00 1.00 -2.28 -1.67 0.00 -1.81 -3.24 119.26 111.26 3gn3 h ALA 5 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 3gn3 h ALA 5 Cb 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.56 3gn3 h ALA 5 CO 0.00 0.00 -0.63 1.28 0.00 0.00 0.00 179.25 179.90 3gn3 n LEU 6 N -2.39 4.51 -4.28 0.00 4.77 -1.26 -4.38 117.00 113.97 3gn3 n LEU 6 Ca 0.04 -5.69 -0.28 0.00 -0.03 0.00 0.00 56.01 50.05 3gn3 n LEU 6 Cb 0.34 -0.57 -0.15 0.00 -2.33 0.00 0.00 43.42 40.72 3gn3 n LEU 6 CO 0.26 2.36 -0.55 -0.44 -1.33 0.00 0.00 177.39 177.69 3gn3 s SER 7 N -3.46 2.78 -0.00 -1.43 0.01 -1.23 -0.67 113.70 109.70 3gn3 s SER 7 Ca 0.49 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 57.27 3gn3 s SER 7 Cb 0.28 -0.27 -0.01 0.00 0.21 0.00 0.00 66.02 66.23 3gn3 s SER 7 CO -0.14 0.24 -0.07 0.26 0.41 0.00 0.00 173.24 173.94 3gn3 s TRP 8 N -0.70 0.61 0.00 2.43 0.51 0.08 -4.98 118.94 116.90 3gn3 s TRP 8 Ca 0.09 -0.14 0.00 0.00 -2.12 0.00 0.00 56.10 53.93 3gn3 s TRP 8 Cb -0.09 -0.39 0.00 0.00 -0.81 0.00 0.00 33.47 32.18 3gn3 s TRP 8 CO 0.01 -0.01 0.00 0.41 -0.51 0.00 0.00 176.95 176.84 3gn3 n GLY 9 N 2.80 -0.52 0.26 0.98 0.00 -1.26 0.25 105.19 107.70 3gn3 n GLY 9 Ca -0.14 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.15 3gn3 n GLY 9 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3gn3 n HIS 10 N -0.54 0.00 -2.22 1.61 1.44 -0.08 -4.70 115.22 110.73 3gn3 n HIS 10 Ca 0.00 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.43 3gn3 n HIS 10 Cb 0.00 0.08 0.02 0.00 0.12 0.00 0.00 29.99 30.21 3gn3 n HIS 10 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 3gn3 s GLY 11 N -0.27 1.60 0.08 -1.39 0.00 -1.03 -4.85 107.32 101.45 3gn3 s GLY 11 Ca 0.00 -0.46 0.23 0.00 0.00 0.00 0.00 44.72 44.49 3gn3 s GLY 11 CO 0.00 -0.18 1.72 -1.55 0.00 0.00 0.00 173.10 173.09 3gn3 n PRO 12 N -2.65 0.08 -3.27 2.90 -0.04 -1.19 -2.92 135.00 127.90 3gn3 n PRO 12 Ca 0.05 0.18 -0.39 0.00 -0.04 0.00 0.00 63.50 63.31 3gn3 n PRO 12 Cb 0.56 -1.61 -0.06 0.00 -0.04 0.00 0.00 33.50 32.35 3gn3 n PRO 12 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3gn3 s ARG 13 N -3.07 4.28 -0.30 0.54 0.52 -1.00 -4.93 118.95 114.99 3gn3 s ARG 13 Ca 0.10 0.45 -0.07 0.00 -0.52 0.00 0.00 55.73 55.69 3gn3 s ARG 13 Cb 0.13 -3.49 0.01 0.00 0.52 0.00 0.00 34.95 32.11 3gn3 s ARG 13 CO 0.43 0.01 0.09 -1.17 0.02 0.00 0.00 175.30 174.68 3gn3 s LEU 14 N 1.10 3.86 -0.34 2.53 2.96 -1.26 -0.41 118.68 127.12 3gn3 s LEU 14 Ca 0.26 -0.67 -0.11 0.00 -0.22 0.00 0.00 54.13 53.38 3gn3 s LEU 14 Cb -0.15 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.64 3gn3 s LEU 14 CO 0.10 -0.19 0.20 0.12 -1.32 0.00 0.00 176.35 175.26 3gn3 s PHE 15 N 1.52 3.21 -0.12 5.38 5.36 -0.11 -0.77 117.98 132.45 3gn3 s PHE 15 Ca 0.03 -0.57 -0.02 0.00 -0.96 0.00 0.00 56.93 55.41 3gn3 s PHE 15 Cb -0.17 -2.42 -0.03 0.00 -0.34 0.00 0.00 43.02 40.06 3gn3 s PHE 15 CO 0.03 -0.48 -0.07 -1.21 -1.46 0.00 0.00 175.22 172.03 3gn3 s GLU 16 N 1.63 3.35 -0.14 10.12 2.02 0.01 -0.63 118.70 135.06 3gn3 s GLU 16 Ca 0.04 -0.57 0.01 0.00 0.02 0.00 0.00 54.97 54.48 3gn3 s GLU 16 Cb -0.18 -2.76 0.02 0.00 0.10 0.00 0.00 34.13 31.31 3gn3 s GLU 16 CO 0.08 0.35 -0.18 0.08 0.02 0.00 0.00 175.26 175.61 3gn3 s VAL 17 N 0.03 1.78 -0.29 2.63 1.01 -0.60 -0.23 120.40 124.72 3gn3 s VAL 17 Ca -0.01 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 60.97 3gn3 s VAL 17 Cb -0.14 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 3gn3 s VAL 17 CO 0.03 0.49 0.68 -0.36 0.00 0.00 0.00 175.10 175.95 3gn3 s PHE 18 N 1.16 3.24 -0.06 5.22 0.08 0.17 -0.26 117.98 127.53 3gn3 s PHE 18 Ca -0.01 0.74 0.06 0.00 0.12 0.00 0.00 56.93 57.84 3gn3 s PHE 18 Cb -0.14 -3.01 -0.01 0.00 -0.57 0.00 0.00 43.02 39.29 3gn3 s PHE 18 CO -0.07 -0.45 -0.24 -0.51 -0.10 0.00 0.00 175.22 173.85 3gn3 s LEU 19 N 2.69 2.05 -0.34 -0.37 1.43 0.32 -2.60 118.68 121.86 3gn3 s LEU 19 Ca 0.28 -0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 52.74 3gn3 s LEU 19 Cb -0.15 -1.33 -0.01 0.00 0.03 0.00 0.00 46.19 44.73 3gn3 s LEU 19 CO 0.11 0.24 0.32 -0.70 0.23 0.00 0.00 176.35 176.54 3gn3 s GLU 20 N -0.15 3.54 0.59 1.70 2.56 -1.25 -0.11 118.70 125.58 3gn3 s GLU 20 Ca -0.03 -0.50 0.29 0.00 0.00 0.00 0.00 54.97 54.73 3gn3 s GLU 20 Cb -0.13 -3.81 1.47 0.00 2.00 0.00 0.00 34.13 33.66 3gn3 s GLU 20 CO 0.03 -0.50 1.89 -1.00 -0.56 0.00 0.00 175.26 175.12 3gn3 h PRO 21 N 8.47 0.00 -0.29 4.30 0.13 -1.97 -0.39 132.00 142.26 3gn3 h PRO 21 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3gn3 h PRO 21 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3gn3 h PRO 21 CO 0.67 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.69 3gn3 n THR 22 N -3.71 1.53 -3.43 1.56 -2.24 -1.26 -4.37 114.28 102.36 3gn3 n THR 22 Ca 0.09 -1.38 -0.37 0.00 -2.27 0.00 0.00 64.05 60.12 3gn3 n THR 22 Cb 0.69 0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 3gn3 n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gn3 h PRO 24 N 6.42 0.51 -0.19 0.00 0.13 -1.93 0.12 132.00 137.06 3gn3 h PRO 24 Ca -0.43 -0.19 -0.19 0.00 -0.87 0.00 0.00 66.00 64.32 3gn3 h PRO 24 Cb 1.18 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3gn3 h PRO 24 CO 0.74 0.72 -0.65 0.74 -0.23 0.00 0.00 178.00 179.32 3gn3 h PHE 25 N 0.45 0.92 -0.34 1.56 0.04 -1.94 -2.18 116.94 115.45 3gn3 h PHE 25 Ca 0.07 -0.36 0.04 0.00 2.80 0.00 0.00 57.97 60.52 3gn3 h PHE 25 Cb 0.67 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.63 3gn3 h PHE 25 CO 0.02 1.16 0.09 0.77 -0.60 0.00 0.00 178.31 179.76 3gn3 h SER 26 N 0.51 0.07 -0.82 2.17 0.02 -1.63 -1.96 113.55 111.91 3gn3 h SER 26 Ca -0.02 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3gn3 h SER 26 Cb 1.25 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.79 3gn3 h SER 26 CO 0.13 0.08 0.53 0.58 -1.14 0.00 0.00 176.83 177.01 3gn3 h VAL 27 N 0.22 1.13 -0.12 2.27 2.07 -0.68 0.44 116.25 121.59 3gn3 h VAL 27 Ca 0.16 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3gn3 h VAL 27 Cb 0.15 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 3gn3 h VAL 27 CO -0.18 0.19 0.08 0.50 0.02 0.00 0.00 177.57 178.17 3gn3 h LYS 28 N 1.03 0.15 -0.51 1.57 3.64 -0.97 -1.32 116.57 120.17 3gn3 h LYS 28 Ca 0.33 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.67 3gn3 h LYS 28 Cb 0.00 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3gn3 h LYS 28 CO -0.11 0.10 0.22 0.00 -2.27 0.00 0.00 179.45 177.39 3gn3 h ALA 29 N 1.04 0.66 -0.27 5.00 0.00 -1.09 -3.08 119.26 121.53 3gn3 h ALA 29 Ca 0.04 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.87 3gn3 h ALA 29 Cb -0.02 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.50 3gn3 h ALA 29 CO -0.01 0.26 -0.23 0.35 0.00 0.00 0.00 179.25 179.62 3gn3 h PHE 30 N 0.68 -0.59 0.00 0.00 3.57 -0.54 -1.06 116.94 119.00 3gn3 h PHE 30 Ca 0.17 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.71 3gn3 h PHE 30 Cb 0.17 0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.21 3gn3 h PHE 30 CO 0.00 -0.30 0.00 1.19 -2.23 0.00 0.00 178.31 176.97 3gn3 n PHE 31 N -5.37 0.17 1.39 0.41 0.99 -0.53 -1.61 117.46 112.91 3gn3 n PHE 31 Ca -0.00 0.07 0.14 0.00 -0.00 0.00 0.00 57.45 57.66 3gn3 n PHE 31 Cb 0.28 -0.62 0.43 0.00 -1.00 0.00 0.00 39.48 38.57 3gn3 n PHE 31 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3gn3 n LYS 32 N -1.66 1.81 0.00 -1.08 5.02 -0.40 -4.56 118.16 117.29 3gn3 n LYS 32 Ca 0.02 -1.18 -0.18 0.00 -2.02 0.00 0.00 58.31 54.95 3gn3 n LYS 32 Cb 0.11 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.56 3gn3 n LYS 32 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3gn3 h LEU 33 N 2.89 0.78 -0.44 -0.35 3.38 -1.30 -2.13 115.31 118.14 3gn3 h LEU 33 Ca 0.00 -0.69 0.09 0.00 0.09 0.00 0.00 57.88 57.36 3gn3 h LEU 33 Cb 0.61 -0.24 -0.10 0.00 0.09 0.00 0.00 40.66 41.03 3gn3 h LEU 33 CO 0.00 1.36 -0.32 0.44 0.09 0.00 0.00 178.44 180.01 3gn3 h ASP 34 N 0.27 -1.07 -0.69 -0.43 3.32 -1.80 -1.27 116.42 114.76 3gn3 h ASP 34 Ca -0.08 0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3gn3 h ASP 34 Cb 1.42 0.51 -0.03 0.00 0.22 0.00 0.00 39.33 41.44 3gn3 h ASP 34 CO 0.15 -0.31 0.43 0.44 -1.72 0.00 0.00 179.24 178.23 3gn3 h ASP 35 N -0.22 0.81 -0.43 6.45 3.32 -1.83 0.55 116.42 125.07 3gn3 h ASP 35 Ca 0.19 -0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.26 3gn3 h ASP 35 Cb 0.53 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.82 3gn3 h ASP 35 CO -0.56 0.62 0.09 0.25 -1.72 0.00 0.00 179.24 177.92 3gn3 h LEU 36 N 0.93 0.02 -0.20 1.55 5.85 -0.73 0.14 115.31 122.88 3gn3 h LEU 36 Ca 0.25 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 59.02 3gn3 h LEU 36 Cb -0.05 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3gn3 h LEU 36 CO -0.05 0.05 0.04 0.25 -0.34 0.00 0.00 178.44 178.39 3gn3 h LEU 37 N 0.23 0.31 -1.00 2.25 5.85 -0.68 -0.37 115.31 121.91 3gn3 h LEU 37 Ca 0.21 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.77 3gn3 h LEU 37 Cb 0.25 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.12 3gn3 h LEU 37 CO -0.27 0.48 0.63 0.00 -0.34 0.00 0.00 178.44 178.95 3gn3 h ALA 38 N 0.84 1.45 0.16 1.25 0.00 -0.45 0.52 119.26 123.03 3gn3 h ALA 38 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3gn3 h ALA 38 Cb 0.30 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3gn3 h ALA 38 CO 0.00 0.32 -0.08 1.96 0.00 0.00 0.00 179.25 181.45 3gn3 h GLN 39 N 1.07 -0.21 0.00 0.00 1.08 -0.46 -3.35 115.11 113.24 3gn3 h GLN 39 Ca 0.47 0.01 -0.17 0.00 -1.45 0.00 0.00 58.65 57.51 3gn3 h GLN 39 Cb 0.34 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 3gn3 h GLN 39 CO -0.22 0.20 -0.81 0.00 -0.95 0.00 0.00 178.83 177.04 3gn3 h ALA 40 N -0.02 0.57 0.00 3.87 0.00 -0.90 -3.50 119.26 119.28 3gn3 h ALA 40 Ca -0.02 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.15 3gn3 h ALA 40 Cb 0.50 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3gn3 h ALA 40 CO 0.04 1.01 0.00 0.41 0.00 0.00 0.00 179.25 180.71 3gn3 n GLY 41 N 1.03 -2.16 0.16 0.00 0.00 0.18 -4.39 105.19 100.01 3gn3 n GLY 41 Ca 0.00 -1.16 0.11 0.00 0.00 0.00 0.00 46.02 44.97 3gn3 n GLY 41 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gn3 n GLU 42 N -0.16 0.14 0.00 1.61 1.02 -1.26 -1.11 120.64 120.88 3gn3 n GLU 42 Ca 0.00 0.62 0.12 0.00 -0.02 0.00 0.00 57.16 57.89 3gn3 n GLU 42 Cb 0.00 -1.94 0.32 0.00 -0.02 0.00 0.00 31.44 29.79 3gn3 n GLU 42 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3gn3 n ASP 43 N -2.24 0.73 -0.03 1.62 2.03 -1.26 -0.91 116.55 116.50 3gn3 n ASP 43 Ca -0.01 -0.54 -0.03 0.00 0.52 0.00 0.00 54.79 54.73 3gn3 n ASP 43 Cb 0.05 0.19 -0.04 0.00 -0.72 0.00 0.00 41.12 40.59 3gn3 n ASP 43 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3gn3 n ASN 44 N -1.11 3.58 -4.22 1.67 3.02 -0.27 -4.21 115.26 113.73 3gn3 n ASN 44 Ca 0.09 -0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.42 3gn3 n ASN 44 Cb 0.34 0.59 -0.13 0.00 -0.61 0.00 0.00 39.78 39.98 3gn3 n ASN 44 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3gn3 s VAL 45 N -2.14 1.40 -0.15 2.41 -7.23 -0.99 -2.37 120.40 111.33 3gn3 s VAL 45 Ca -0.03 -1.32 -0.03 0.00 -1.81 0.00 0.00 61.98 58.78 3gn3 s VAL 45 Cb 0.02 -1.28 -0.02 0.00 0.56 0.00 0.00 36.38 35.65 3gn3 s VAL 45 CO 0.23 -0.07 -0.05 -0.89 -0.31 0.00 0.00 175.10 174.01 3gn3 s THR 46 N -1.10 3.74 -0.22 5.32 2.01 0.46 -2.50 115.64 123.35 3gn3 s THR 46 Ca 0.03 -0.41 -0.05 0.00 0.31 0.00 0.00 61.69 61.57 3gn3 s THR 46 Cb -0.09 -2.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.77 3gn3 s THR 46 CO 0.03 0.50 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.76 3gn3 s VAL 47 N 0.40 3.79 -0.14 3.82 1.01 0.14 -0.93 120.40 128.48 3gn3 s VAL 47 Ca -0.05 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.60 3gn3 s VAL 47 Cb -0.14 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.52 3gn3 s VAL 47 CO 0.03 0.41 -0.22 -0.60 0.00 0.00 0.00 175.10 174.73 3gn3 s ARG 48 N 1.28 3.02 -0.18 2.72 6.06 0.20 -0.74 118.95 131.31 3gn3 s ARG 48 Ca 0.04 -0.85 -0.20 0.00 -2.50 0.00 0.00 55.73 52.21 3gn3 s ARG 48 Cb -0.15 -2.44 -0.03 0.00 0.06 0.00 0.00 34.95 32.39 3gn3 s ARG 48 CO 0.00 -0.02 0.61 0.42 -2.50 0.00 0.00 175.30 173.82 3gn3 s ILE 49 N 0.82 5.05 -0.14 4.11 1.01 0.15 -1.56 121.20 130.64 3gn3 s ILE 49 Ca -0.07 1.16 -0.03 0.00 0.00 0.00 0.00 60.65 61.71 3gn3 s ILE 49 Cb -0.15 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.36 3gn3 s ILE 49 CO -0.02 0.15 -0.05 -0.13 0.00 0.00 0.00 174.94 174.89 3gn3 s ARG 50 N 1.64 3.56 -0.35 2.79 3.00 0.64 -4.69 118.95 125.54 3gn3 s ARG 50 Ca 0.29 -0.54 -0.25 0.00 0.00 0.00 0.00 55.73 55.23 3gn3 s ARG 50 Cb -0.16 -2.85 0.01 0.00 0.00 0.00 0.00 34.95 31.95 3gn3 s ARG 50 CO 0.11 0.28 0.86 -0.51 0.00 0.00 0.00 175.30 176.04 3gn3 s LEU 51 N 0.24 4.06 -0.85 2.53 1.43 -1.26 -0.52 118.68 124.31 3gn3 s LEU 51 Ca -0.03 0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 53.51 3gn3 s LEU 51 Cb -0.14 -3.16 0.22 0.00 0.03 0.00 0.00 46.19 43.14 3gn3 s LEU 51 CO 0.03 -0.75 0.79 -1.58 0.23 0.00 0.00 176.35 175.07 3gn3 s GLN 52 N 3.23 3.62 -0.02 1.70 2.00 0.84 -4.52 119.66 126.50 3gn3 s GLN 52 Ca 0.35 -2.54 -0.30 0.00 -2.00 0.00 0.00 55.36 50.87 3gn3 s GLN 52 Cb -0.13 -4.41 -0.05 0.00 0.80 0.00 0.00 33.01 29.22 3gn3 s GLN 52 CO 0.16 -1.28 1.34 0.45 -0.50 0.00 0.00 175.29 175.46 3gn3 s SER 53 N 2.01 6.91 -0.27 6.67 0.15 -1.26 -3.75 113.70 124.16 3gn3 s SER 53 Ca 0.19 2.02 -0.08 0.00 0.70 0.00 0.00 55.95 58.79 3gn3 s SER 53 Cb -0.10 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.63 3gn3 s SER 53 CO -0.09 -0.68 0.09 -1.10 1.20 0.00 0.00 173.24 172.66 3gn3 s GLN 54 N 2.37 3.44 0.51 5.44 -1.52 -1.26 -4.98 119.66 123.66 3gn3 s GLN 54 Ca 0.61 -0.62 0.22 0.00 -1.95 0.00 0.00 55.36 53.63 3gn3 s GLN 54 Cb -0.29 -3.38 1.31 0.00 -0.22 0.00 0.00 33.01 30.43 3gn3 s GLN 54 CO 0.25 -0.30 2.00 -1.35 -0.25 0.00 0.00 175.29 175.64 3gn3 h PRO 55 N 8.26 0.08 0.00 2.91 0.11 -2.00 0.24 132.00 141.60 3gn3 h PRO 55 Ca -0.35 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3gn3 h PRO 55 Cb 1.16 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3gn3 h PRO 55 CO 0.59 0.05 0.00 -2.67 -0.21 0.00 0.00 178.00 175.77 3gn3 n TRP 56 N -4.41 0.00 -3.35 0.65 2.14 -1.26 -4.18 117.44 107.02 3gn3 n TRP 56 Ca 0.09 0.00 -0.46 0.00 2.07 0.00 0.00 57.50 59.20 3gn3 n TRP 56 Cb 0.54 -0.08 -0.03 0.00 -0.81 0.00 0.00 31.31 30.93 3gn3 n TRP 56 CO 0.00 0.00 0.00 -1.01 2.07 0.00 0.00 177.69 178.75 3gn3 s HIS 57 N -2.16 3.68 -0.37 -2.67 3.76 0.85 -4.75 115.29 113.62 3gn3 s HIS 57 Ca 0.39 -1.94 0.22 0.00 -0.15 0.00 0.00 55.06 53.57 3gn3 s HIS 57 Cb 0.20 -3.78 1.04 0.00 1.11 0.00 0.00 32.58 31.15 3gn3 s HIS 57 CO 0.36 -0.99 1.66 -1.33 -0.85 0.00 0.00 174.74 173.60 3gn3 n MET 58 N 4.12 0.16 -0.16 1.40 2.81 -1.26 -0.84 117.12 123.35 3gn3 n MET 58 Ca 0.10 0.53 0.08 0.00 -1.81 0.00 0.00 57.70 56.59 3gn3 n MET 58 Cb 0.45 -1.90 0.16 0.00 -0.71 0.00 0.00 33.22 31.22 3gn3 n MET 58 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3gn3 n PHE 59 N -2.21 0.41 -0.19 2.03 3.72 -1.26 -4.66 117.46 115.30 3gn3 n PHE 59 Ca 0.00 -0.33 -0.00 0.00 -0.05 0.00 0.00 57.45 57.07 3gn3 n PHE 59 Cb 0.13 -0.01 0.09 0.00 -0.94 0.00 0.00 39.48 38.74 3gn3 n PHE 59 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3gn3 h SER 60 N 2.82 -0.19 -0.80 4.37 0.87 -1.29 0.19 113.55 119.50 3gn3 h SER 60 Ca 0.00 0.13 0.08 0.00 -1.23 0.00 0.00 61.79 60.78 3gn3 h SER 60 Cb 0.75 0.23 -0.07 0.00 -0.44 0.00 0.00 62.40 62.87 3gn3 h SER 60 CO 0.00 -0.07 0.46 1.23 -0.53 0.00 0.00 176.83 177.92 3gn3 h GLY 61 N 0.15 1.23 0.73 5.77 0.00 -1.83 0.65 103.07 109.77 3gn3 h GLY 61 Ca 0.30 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 3gn3 h GLY 61 CO -0.46 0.15 -0.18 -2.08 0.00 0.00 0.00 176.54 173.97 3gn3 h VAL 62 N 0.80 0.61 -0.04 4.60 2.07 -1.68 -1.54 116.25 121.06 3gn3 h VAL 62 Ca 0.38 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.46 3gn3 h VAL 62 Cb 0.31 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3gn3 h VAL 62 CO -0.23 0.08 -0.07 0.40 0.02 0.00 0.00 177.57 177.78 3gn3 h ILE 63 N -0.77 0.82 -0.66 4.57 2.04 -0.55 -0.64 117.51 122.32 3gn3 h ILE 63 Ca -0.05 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.93 3gn3 h ILE 63 Cb 0.52 0.82 -0.09 0.00 -0.74 0.00 0.00 36.82 37.33 3gn3 h ILE 63 CO 0.08 0.00 0.20 0.58 0.00 0.00 0.00 178.15 179.02 3gn3 h VAL 64 N -0.10 0.67 -0.72 1.67 2.07 0.22 -1.26 116.25 118.80 3gn3 h VAL 64 Ca 0.04 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3gn3 h VAL 64 Cb 0.15 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 3gn3 h VAL 64 CO -0.10 0.06 0.40 -0.09 0.02 0.00 0.00 177.57 177.86 3gn3 h ARG 65 N 0.35 0.98 0.45 1.57 2.43 -0.18 -2.22 114.38 117.77 3gn3 h ARG 65 Ca 0.35 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 3gn3 h ARG 65 Cb 0.51 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3gn3 h ARG 65 CO -0.39 0.72 -0.24 0.00 -1.51 0.00 0.00 179.97 178.55 3gn3 h ILE 67 N -0.64 0.31 0.00 0.00 2.04 -1.04 0.35 117.51 118.53 3gn3 h ILE 67 Ca -0.06 -0.02 -0.13 0.00 1.00 0.00 0.00 64.86 65.65 3gn3 h ILE 67 Cb 0.50 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3gn3 h ILE 67 CO 0.08 0.01 -0.61 -0.07 0.00 0.00 0.00 178.15 177.57 3gn3 h LEU 68 N 0.06 0.00 -0.28 1.44 3.38 -1.13 -2.08 115.31 116.71 3gn3 h LEU 68 Ca 0.39 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.34 3gn3 h LEU 68 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3gn3 h LEU 68 CO -0.70 0.61 0.08 0.00 0.09 0.00 0.00 178.44 178.52 3gn3 h ALA 69 N 1.39 0.37 -0.92 1.53 0.00 0.70 -2.98 119.26 119.34 3gn3 h ALA 69 Ca -0.01 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 54.86 3gn3 h ALA 69 Cb 1.21 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 3gn3 h ALA 69 CO 0.08 0.01 0.59 0.00 0.00 0.00 0.00 179.25 179.93 3gn3 h ALA 70 N 0.91 1.65 0.00 0.00 0.00 -0.00 -0.43 119.26 121.37 3gn3 h ALA 70 Ca 0.09 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gn3 h ALA 70 Cb 0.27 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3gn3 h ALA 70 CO -0.00 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.39 3gn3 n ALA 71 N -2.40 1.25 0.77 0.00 0.00 -0.82 -1.72 120.51 117.59 3gn3 n ALA 71 Ca 0.17 0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.83 3gn3 n ALA 71 Cb 0.35 -1.29 -0.08 0.00 0.00 0.00 0.00 19.45 18.44 3gn3 n ALA 71 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3gn3 n THR 72 N -2.09 0.03 -0.93 0.00 -2.24 -0.18 -4.35 114.28 104.52 3gn3 n THR 72 Ca 0.00 -0.12 -0.30 0.00 -2.27 0.00 0.00 64.05 61.36 3gn3 n THR 72 Cb 0.09 0.65 0.26 0.00 -2.10 0.00 0.00 70.33 69.23 3gn3 n THR 72 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3gn3 s LEU 73 N -3.39 0.25 0.21 3.22 1.43 -0.70 -4.88 118.68 114.82 3gn3 s LEU 73 Ca 0.05 0.63 -0.06 0.00 -1.03 0.00 0.00 54.13 53.72 3gn3 s LEU 73 Cb 0.16 -2.26 0.17 0.00 0.03 0.00 0.00 46.19 44.29 3gn3 s LEU 73 CO 0.85 -4.47 1.69 -0.08 0.23 0.00 0.00 176.35 174.57 3gn3 h GLU 74 N -2.82 0.97 0.00 1.70 4.81 -1.92 -2.05 114.58 115.28 3gn3 h GLU 74 Ca -0.44 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.51 3gn3 h GLU 74 Cb 1.30 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3gn3 h GLU 74 CO 0.31 0.95 0.00 0.41 -0.73 0.00 0.00 179.01 179.95 3gn3 n GLY 75 N -0.51 -0.84 7.00 1.92 0.00 -1.26 -4.93 105.19 106.57 3gn3 n GLY 75 Ca 0.03 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3gn3 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gn3 n GLY 76 N -0.71 3.13 0.32 -0.02 0.00 -0.77 -1.61 105.19 105.53 3gn3 n GLY 76 Ca 0.01 0.04 0.22 0.00 0.00 0.00 0.00 46.02 46.29 3gn3 n GLY 76 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3gn3 h LYS 77 N 0.00 0.00 0.18 1.61 2.10 -1.78 -1.25 116.57 117.43 3gn3 h LYS 77 Ca 0.00 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.34 3gn3 h LYS 77 Cb 0.00 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.35 3gn3 h LYS 77 CO 0.00 0.00 -1.41 0.93 -2.00 0.00 0.00 179.45 176.97 3gn3 h GLU 78 N 0.00 0.39 -0.71 0.07 4.39 -1.67 -1.75 114.58 115.30 3gn3 h GLU 78 Ca 0.00 -0.66 -0.05 0.00 0.34 0.00 0.00 59.36 58.99 3gn3 h GLU 78 Cb 0.02 0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 3gn3 h GLU 78 CO 0.00 1.31 0.25 0.77 -1.16 0.00 0.00 179.01 180.18 3gn3 h SER 79 N 0.11 0.99 -0.60 1.42 0.02 -1.20 0.15 113.55 114.43 3gn3 h SER 79 Ca -0.21 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.54 3gn3 h SER 79 Cb 2.07 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 64.33 3gn3 h SER 79 CO 0.23 0.90 0.24 0.00 -1.14 0.00 0.00 176.83 177.06 3gn3 h ALA 80 N 1.23 0.78 -0.49 3.77 0.00 -1.37 -2.09 119.26 121.08 3gn3 h ALA 80 Ca 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3gn3 h ALA 80 Cb 0.25 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3gn3 h ALA 80 CO -0.01 0.39 0.21 -0.22 0.00 0.00 0.00 179.25 179.62 3gn3 h LYS 81 N 0.83 0.72 -0.15 0.00 3.64 -0.99 -1.77 116.57 118.86 3gn3 h LYS 81 Ca 0.20 -0.12 0.05 0.00 -1.27 0.00 0.00 60.65 59.51 3gn3 h LYS 81 Cb 0.20 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 31.83 3gn3 h LYS 81 CO -0.02 0.63 -0.36 0.00 -2.27 0.00 0.00 179.45 177.44 3gn3 h ALA 82 N 1.06 -0.43 -0.25 5.00 0.00 -0.52 0.23 119.26 124.35 3gn3 h ALA 82 Ca 0.17 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.16 3gn3 h ALA 82 Cb 0.16 0.68 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 3gn3 h ALA 82 CO -0.02 -0.84 -0.21 0.28 0.00 0.00 0.00 179.25 178.47 3gn3 h VAL 83 N -0.42 0.45 -0.85 0.00 2.07 -1.20 0.29 116.25 116.58 3gn3 h VAL 83 Ca 0.10 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.71 3gn3 h VAL 83 Cb 0.58 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 3gn3 h VAL 83 CO -0.38 0.00 0.55 0.24 0.02 0.00 0.00 177.57 178.00 3gn3 h MET 84 N -0.21 0.79 -0.22 1.57 2.07 -0.89 -0.52 114.93 117.53 3gn3 h MET 84 Ca 0.14 -0.05 -0.10 0.00 -2.07 0.00 0.00 59.70 57.62 3gn3 h MET 84 Cb 0.42 -0.18 -0.00 0.00 -1.87 0.00 0.00 31.60 29.97 3gn3 h MET 84 CO -0.37 0.52 -0.25 1.15 1.07 0.00 0.00 176.91 179.04 3gn3 h THR 85 N 0.81 1.33 -0.83 2.22 2.02 0.47 0.79 112.91 119.71 3gn3 h THR 85 Ca 0.40 -1.42 0.05 0.00 0.77 0.00 0.00 66.41 66.20 3gn3 h THR 85 Cb 0.44 1.75 -0.06 0.00 -1.74 0.00 0.00 68.15 68.55 3gn3 h THR 85 CO -0.16 0.44 0.52 0.00 0.37 0.00 0.00 175.52 176.69 3gn3 h ALA 86 N 0.65 1.12 -0.09 6.16 0.00 0.17 -0.39 119.26 126.88 3gn3 h ALA 86 Ca 0.03 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3gn3 h ALA 86 Cb 0.81 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.35 3gn3 h ALA 86 CO 0.06 0.30 -0.50 0.28 0.00 0.00 0.00 179.25 179.40 3gn3 h VAL 87 N 0.98 1.38 -0.87 0.00 2.07 -1.07 -3.05 116.25 115.69 3gn3 h VAL 87 Ca 0.35 -1.84 0.01 0.00 0.82 0.00 0.00 66.70 66.04 3gn3 h VAL 87 Cb 0.10 2.25 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 3gn3 h VAL 87 CO -0.15 0.55 0.57 0.00 0.02 0.00 0.00 177.57 178.57 3gn3 h ALA 88 N 0.45 1.11 0.00 1.67 0.00 -0.58 -1.60 119.26 120.32 3gn3 h ALA 88 Ca -0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3gn3 h ALA 88 Cb 1.15 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3gn3 h ALA 88 CO 0.10 0.48 -0.23 0.77 0.00 0.00 0.00 179.25 180.38 3gn3 h SER 89 N 1.16 0.00 -1.19 0.00 0.02 -1.14 -3.21 113.55 109.19 3gn3 h SER 89 Ca 0.32 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.75 3gn3 h SER 89 Cb -0.10 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 62.02 3gn3 h SER 89 CO -0.08 0.23 -0.84 1.41 -1.14 0.00 0.00 176.83 176.41 3gn3 n HIS 90 N -3.87 2.80 0.22 3.45 8.25 -0.83 -4.97 115.22 120.27 3gn3 n HIS 90 Ca -0.02 -2.79 -0.15 0.00 -0.26 0.00 0.00 57.72 54.51 3gn3 n HIS 90 Cb 0.32 -0.20 -0.08 0.00 1.12 0.00 0.00 29.99 31.15 3gn3 n HIS 90 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3gn3 h ARG 91 N 2.54 -0.78 -1.02 -0.41 2.43 -1.32 -2.54 114.38 113.28 3gn3 h ARG 91 Ca 0.23 0.05 0.25 0.00 -0.81 0.00 0.00 59.98 59.71 3gn3 h ARG 91 Cb 1.13 0.18 -0.10 0.00 -0.42 0.00 0.00 29.97 30.76 3gn3 h ARG 91 CO 0.74 -0.52 0.65 0.93 -1.51 0.00 0.00 179.97 180.25 3gn3 h GLU 92 N -0.80 0.46 0.00 0.20 5.08 -1.91 0.38 114.58 117.98 3gn3 h GLU 92 Ca -0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3gn3 h GLU 92 Cb 0.71 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3gn3 h GLU 92 CO -0.08 0.30 0.00 0.39 -1.00 0.00 0.00 179.01 178.62 3gn3 n GLU 93 N -4.68 0.05 -0.10 2.33 1.02 -0.96 -2.09 120.64 116.21 3gn3 n GLU 93 Ca 0.25 0.30 0.07 0.00 -0.02 0.00 0.00 57.16 57.76 3gn3 n GLU 93 Cb 0.81 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.82 3gn3 n GLU 93 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3gn3 n PHE 94 N -1.37 0.00 -3.84 -0.32 3.72 0.13 -5.03 117.46 110.76 3gn3 n PHE 94 Ca 0.02 -0.77 0.00 0.00 -0.05 0.00 0.00 57.45 56.65 3gn3 n PHE 94 Cb 0.05 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 3gn3 n PHE 94 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3gn3 n GLU 95 N -1.06 0.90 -4.25 -1.08 4.07 -0.89 -4.73 120.64 113.60 3gn3 n GLU 95 Ca 0.11 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 57.04 3gn3 n GLU 95 Cb 0.56 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.80 3gn3 n GLU 95 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 3gn3 s PHE 96 N -1.39 0.65 0.08 4.31 0.08 -1.26 -4.71 117.98 115.75 3gn3 s PHE 96 Ca 0.00 -0.14 -0.31 0.00 0.12 0.00 0.00 56.93 56.60 3gn3 s PHE 96 Cb 0.00 -0.42 -0.09 0.00 -0.57 0.00 0.00 43.02 41.94 3gn3 s PHE 96 CO 0.00 -0.01 1.77 -2.00 -0.10 0.00 0.00 175.22 174.87 3gn3 s GLU 97 N -0.26 4.16 -1.48 0.44 2.56 -1.04 -1.09 118.70 121.99 3gn3 s GLU 97 Ca 0.02 2.47 0.00 0.00 0.00 0.00 0.00 54.97 57.46 3gn3 s GLU 97 Cb -0.03 -3.68 0.00 0.00 2.00 0.00 0.00 34.13 32.42 3gn3 s GLU 97 CO -0.00 -0.81 0.00 0.72 -0.56 0.00 0.00 175.26 174.60 3gn3 n HIS 98 N 5.93 -1.04 -1.86 5.30 8.25 -1.26 -0.83 115.22 129.71 3gn3 n HIS 98 Ca 0.17 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.46 3gn3 n HIS 98 Cb 0.40 -3.31 -0.05 0.00 1.12 0.00 0.00 29.99 28.15 3gn3 n HIS 98 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3gn3 n HIS 99 N -3.43 -0.61 0.00 4.41 8.25 -0.25 -4.79 115.22 118.81 3gn3 n HIS 99 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 3gn3 n HIS 99 Cb 0.63 -3.15 0.00 0.00 1.12 0.00 0.00 29.99 28.59 3gn3 n HIS 99 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gn3 n ALA 100 N -0.32 2.86 -3.00 -1.41 0.00 -0.01 -4.90 120.51 113.73 3gn3 n ALA 100 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3gn3 n ALA 100 Cb 0.59 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.31 3gn3 n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gn3 n GLY 101 N 2.33 5.24 0.00 0.00 0.00 -0.59 -4.89 105.19 107.29 3gn3 n GLY 101 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.51 3gn3 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gn3 n GLY 102 N 3.12 -0.77 0.44 -0.02 0.00 -1.26 -2.50 105.19 104.20 3gn3 n GLY 102 Ca 0.00 -1.71 0.25 0.00 0.00 0.00 0.00 46.02 44.56 3gn3 n GLY 102 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gn3 h PRO 103 N 0.00 0.00 0.00 1.61 0.11 -2.00 -2.37 132.00 129.35 3gn3 h PRO 103 Ca 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 3gn3 h PRO 103 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3gn3 h PRO 103 CO 0.00 0.00 -0.26 -0.91 -0.21 0.00 0.00 178.00 176.62 3gn3 h ASN 104 N 0.00 0.00 -0.83 -2.05 -0.26 -1.84 -1.93 115.58 108.67 3gn3 h ASN 104 Ca 0.32 0.00 0.24 0.00 -0.56 0.00 0.00 56.30 56.30 3gn3 h ASN 104 Cb 1.58 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.81 3gn3 h ASN 104 CO -0.00 0.26 0.93 -0.07 -1.06 0.00 0.00 177.43 177.49 3gn3 h LEU 105 N 0.00 0.00 -3.08 1.61 3.38 -1.65 0.38 115.31 115.94 3gn3 h LEU 105 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gn3 h LEU 105 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3gn3 h LEU 105 CO 0.03 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.03 3gn3 n ASP 106 N -3.44 3.32 -4.85 -0.43 8.00 -0.73 -4.98 116.55 113.43 3gn3 n ASP 106 Ca 0.18 -2.55 -0.36 0.00 0.71 0.00 0.00 54.79 52.77 3gn3 n ASP 106 Cb 1.20 -0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 41.85 3gn3 n ASP 106 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gn3 s ALA 107 N -1.99 3.79 0.43 2.24 0.00 0.13 -5.12 121.76 121.23 3gn3 s ALA 107 Ca 0.32 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.60 3gn3 s ALA 107 Cb 0.23 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.50 3gn3 s ALA 107 CO 0.11 0.64 0.62 0.95 0.00 0.00 0.00 175.76 178.08 3gn3 s THR 108 N -1.08 3.81 0.16 0.00 -4.23 -1.26 -4.97 115.64 108.07 3gn3 s THR 108 Ca 0.18 -0.69 -0.17 0.00 -1.18 0.00 0.00 61.69 59.82 3gn3 s THR 108 Cb -0.12 -3.38 0.04 0.00 1.34 0.00 0.00 72.50 70.38 3gn3 s THR 108 CO 0.07 -0.22 1.71 -0.65 -0.54 0.00 0.00 174.62 174.99 3gn3 h PRO 109 N 0.52 0.10 -0.68 3.99 0.11 -1.99 -1.37 132.00 132.68 3gn3 h PRO 109 Ca -0.45 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.79 3gn3 h PRO 109 Cb 1.26 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 3gn3 h PRO 109 CO 0.55 0.07 0.46 -0.91 -0.21 0.00 0.00 178.00 177.95 3gn3 h ASN 110 N 0.10 0.33 0.67 -2.05 2.35 -1.99 0.31 115.58 115.31 3gn3 h ASN 110 Ca 0.17 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.90 3gn3 h ASN 110 Cb 0.23 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.55 3gn3 h ASN 110 CO -0.28 0.18 -0.32 0.44 -1.65 0.00 0.00 177.43 175.80 3gn3 h ASP 111 N 0.36 -0.77 -0.69 5.81 3.32 -1.75 -1.71 116.42 120.99 3gn3 h ASP 111 Ca 0.33 -0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.50 3gn3 h ASP 111 Cb 0.79 0.20 -0.09 0.00 0.22 0.00 0.00 39.33 40.45 3gn3 h ASP 111 CO -0.09 -0.48 0.27 0.40 -1.72 0.00 0.00 179.24 177.62 3gn3 h ILE 112 N -1.01 0.71 0.02 0.35 1.08 0.13 0.19 117.51 118.97 3gn3 h ILE 112 Ca -0.09 -0.15 0.01 0.00 -0.39 0.00 0.00 64.86 64.24 3gn3 h ILE 112 Cb 0.72 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 3gn3 h ILE 112 CO 0.15 0.08 -0.05 0.40 -0.69 0.00 0.00 178.15 178.04 3gn3 h ILE 113 N 0.43 0.86 -0.23 -0.67 2.04 -0.49 -0.87 117.51 118.59 3gn3 h ILE 113 Ca 0.37 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.27 3gn3 h ILE 113 Cb 0.51 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 3gn3 h ILE 113 CO -0.36 0.00 -0.03 0.00 0.00 0.00 0.00 178.15 177.76 3gn3 h ALA 114 N 0.87 0.18 -0.78 1.87 0.00 -0.32 0.14 119.26 121.23 3gn3 h ALA 114 Ca 0.02 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.10 3gn3 h ALA 114 Cb 0.12 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 3gn3 h ALA 114 CO -0.04 -0.45 0.43 -0.09 0.00 0.00 0.00 179.25 179.10 3gn3 h ARG 115 N 0.04 0.70 -0.72 0.00 2.43 -0.51 0.21 114.38 116.53 3gn3 h ARG 115 Ca 0.11 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 3gn3 h ARG 115 Cb 0.15 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 3gn3 h ARG 115 CO -0.21 0.46 0.26 0.82 -1.51 0.00 0.00 179.97 179.79 3gn3 h ILE 116 N 0.72 1.25 -0.12 1.20 1.08 -0.52 -2.46 117.51 118.67 3gn3 h ILE 116 Ca 0.38 -0.83 -0.01 0.00 -0.39 0.00 0.00 64.86 64.01 3gn3 h ILE 116 Cb 0.36 0.45 -0.00 0.00 -3.07 0.00 0.00 36.82 34.56 3gn3 h ILE 116 CO -0.25 0.33 0.04 -0.33 -0.69 0.00 0.00 178.15 177.24 3gn3 h GLU 117 N 1.04 0.19 -0.05 2.37 5.08 0.51 -0.10 114.58 123.62 3gn3 h GLU 117 Ca 0.24 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3gn3 h GLU 117 Cb 0.25 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3gn3 h GLU 117 CO -0.01 0.33 -0.14 0.00 -1.00 0.00 0.00 179.01 178.19 3gn3 h ARG 118 N 0.00 -0.13 -0.13 2.33 3.08 -0.61 0.19 114.38 119.10 3gn3 h ARG 118 Ca 0.04 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.14 3gn3 h ARG 118 Cb 0.23 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3gn3 h ARG 118 CO -0.00 -0.09 0.12 1.88 -1.07 0.00 0.00 179.97 180.81 3gn3 h TYR 119 N -0.14 0.00 0.00 3.04 0.05 -1.31 -2.69 116.97 115.91 3gn3 h TYR 119 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 3gn3 h TYR 119 Cb 0.17 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.91 3gn3 h TYR 119 CO -0.50 0.00 -1.74 -1.13 -1.05 0.00 0.00 178.16 173.74 3gn3 n SER 120 N -4.18 0.25 -0.11 3.88 3.41 -0.06 -4.79 113.62 112.01 3gn3 n SER 120 Ca 0.00 -0.22 -0.01 0.00 -0.26 0.00 0.00 58.87 58.38 3gn3 n SER 120 Cb 0.23 1.72 -0.01 0.00 -0.26 0.00 0.00 64.21 65.90 3gn3 n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gn3 n GLY 121 N 1.31 0.47 3.75 5.00 0.00 0.64 -4.93 105.19 111.44 3gn3 n GLY 121 Ca -0.02 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 3gn3 n GLY 121 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gn3 s LEU 122 N -0.34 3.69 -0.44 0.99 1.43 -1.15 -5.03 118.68 117.84 3gn3 s LEU 122 Ca 0.00 -0.09 -0.19 0.00 -1.03 0.00 0.00 54.13 52.82 3gn3 s LEU 122 Cb 0.00 -2.37 0.03 0.00 0.03 0.00 0.00 46.19 43.87 3gn3 s LEU 122 CO 0.00 0.15 0.53 0.00 0.23 0.00 0.00 176.35 177.25 3gn3 s ALA 123 N -1.46 3.40 -0.11 4.21 0.00 -1.26 -4.46 121.76 122.07 3gn3 s ALA 123 Ca 0.29 -1.45 0.08 0.00 0.00 0.00 0.00 51.96 50.88 3gn3 s ALA 123 Cb -0.11 -3.17 -0.12 0.00 0.00 0.00 0.00 23.12 19.71 3gn3 s ALA 123 CO 0.21 -1.71 0.01 1.28 0.00 0.00 0.00 175.76 175.55 3gn3 n LEU 124 N 5.88 0.51 -0.32 0.00 4.77 -1.26 -4.72 117.00 121.86 3gn3 n LEU 124 Ca -0.05 -0.01 0.18 0.00 -0.03 0.00 0.00 56.01 56.09 3gn3 n LEU 124 Cb 0.47 0.13 0.43 0.00 -2.33 0.00 0.00 43.42 42.13 3gn3 n LEU 124 CO 0.50 0.34 1.21 0.00 -1.33 0.00 0.00 177.39 178.10 3gn3 h ALA 125 N 0.43 1.99 -0.04 -1.18 0.00 -1.93 0.17 119.26 118.70 3gn3 h ALA 125 Ca -0.29 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 3gn3 h ALA 125 Cb 1.62 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.39 3gn3 h ALA 125 CO 0.00 -0.36 -0.41 1.49 0.00 0.00 0.00 179.25 179.97 3gn3 h GLU 126 N 0.55 0.35 -0.26 0.00 4.81 -2.00 -2.63 114.58 115.39 3gn3 h GLU 126 Ca 0.57 -0.32 0.02 0.00 -0.13 0.00 0.00 59.36 59.50 3gn3 h GLU 126 Cb 1.19 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 3gn3 h GLU 126 CO -0.32 0.98 0.12 0.00 -0.73 0.00 0.00 179.01 179.07 3gn3 h ALA 127 N 0.37 0.31 -0.95 2.92 0.00 -1.58 -2.57 119.26 117.76 3gn3 h ALA 127 Ca -0.04 0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.10 3gn3 h ALA 127 Cb 1.10 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.74 3gn3 h ALA 127 CO 0.08 -0.28 0.51 0.35 0.00 0.00 0.00 179.25 179.92 3gn3 h PHE 128 N 0.26 0.88 0.00 0.00 3.57 -0.76 -1.49 116.94 119.39 3gn3 h PHE 128 Ca 0.11 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3gn3 h PHE 128 Cb 0.05 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.55 3gn3 h PHE 128 CO -0.10 0.06 0.00 0.00 -2.23 0.00 0.00 178.31 176.04 3gn3 n ALA 129 N -2.39 1.61 -2.30 2.41 0.00 -0.97 -4.79 120.51 114.09 3gn3 n ALA 129 Ca 0.24 -0.03 -0.42 0.00 0.00 0.00 0.00 53.44 53.23 3gn3 n ALA 129 Cb 0.66 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 3gn3 n ALA 129 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3gn3 s ASN 130 N -3.17 6.89 0.49 0.00 3.04 -0.56 -4.92 114.94 116.71 3gn3 s ASN 130 Ca 0.06 1.94 0.28 0.00 0.04 0.00 0.00 52.86 55.18 3gn3 s ASN 130 Cb 0.09 -2.55 1.21 0.00 -1.54 0.00 0.00 41.25 38.46 3gn3 s ASN 130 CO 0.26 -0.74 1.94 -0.65 -3.04 0.00 0.00 177.10 174.88 3gn3 h PRO 131 N 8.13 0.00 0.00 0.43 0.11 -1.89 -2.38 132.00 136.40 3gn3 h PRO 131 Ca -0.34 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.75 3gn3 h PRO 131 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3gn3 h PRO 131 CO 0.93 0.15 -0.10 0.93 -0.21 0.00 0.00 178.00 179.70 3gn3 h GLU 132 N 0.00 0.00 0.00 1.05 4.39 -1.97 -3.19 114.58 114.86 3gn3 h GLU 132 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3gn3 h GLU 132 Cb 0.56 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 3gn3 h GLU 132 CO 0.02 0.10 -0.04 1.25 -1.16 0.00 0.00 179.01 179.18 3gn3 h LEU 133 N 0.00 0.00 -1.96 1.33 5.85 -1.79 -1.82 115.31 116.92 3gn3 h LEU 133 Ca -0.00 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.83 3gn3 h LEU 133 Cb 0.31 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3gn3 h LEU 133 CO 0.01 0.04 0.30 1.05 -0.34 0.00 0.00 178.44 179.50 3gn3 h GLU 134 N 0.00 0.04 -0.00 1.25 4.11 -1.77 -2.48 114.58 115.73 3gn3 h GLU 134 Ca -0.00 -0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 3gn3 h GLU 134 Cb 0.09 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3gn3 h GLU 134 CO 0.01 0.03 -0.56 0.45 0.07 0.00 0.00 179.01 179.00 3gn3 h HIS 135 N 0.04 0.02 -0.13 2.06 3.86 -1.59 0.34 115.15 119.74 3gn3 h HIS 135 Ca 0.20 -0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.31 3gn3 h HIS 135 Cb 0.74 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.21 3gn3 h HIS 135 CO -0.00 0.57 -0.29 0.00 0.86 0.00 0.00 177.93 179.08 3gn3 h ALA 136 N 1.43 0.22 -0.77 2.45 0.00 -1.61 -0.37 119.26 120.60 3gn3 h ALA 136 Ca -0.01 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 54.56 3gn3 h ALA 136 Cb 1.00 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 3gn3 h ALA 136 CO 0.07 0.23 0.46 0.28 0.00 0.00 0.00 179.25 180.29 3gn3 h VAL 137 N 0.03 0.99 -0.53 0.00 2.07 -1.41 -2.50 116.25 114.90 3gn3 h VAL 137 Ca 0.00 -0.28 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 3gn3 h VAL 137 Cb 0.88 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3gn3 h VAL 137 CO 0.06 0.15 0.03 0.11 0.02 0.00 0.00 177.57 177.94 3gn3 h LYS 138 N 0.82 0.92 -0.17 1.57 1.57 -0.84 -2.76 116.57 117.69 3gn3 h LYS 138 Ca 0.35 -0.28 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3gn3 h LYS 138 Cb 0.20 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3gn3 h LYS 138 CO -0.19 0.93 0.06 2.35 -0.57 0.00 0.00 179.45 182.03 3gn3 h TRP 139 N 0.80 0.10 -0.38 -1.35 7.01 -0.65 0.10 115.95 121.59 3gn3 h TRP 139 Ca 0.16 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.17 3gn3 h TRP 139 Cb 0.49 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.51 3gn3 h TRP 139 CO 0.04 0.05 0.24 0.45 -2.79 0.00 0.00 178.44 176.43 3gn3 h HIS 140 N 0.14 0.46 -0.25 2.65 3.86 -1.44 -0.52 115.15 120.04 3gn3 h HIS 140 Ca 0.07 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 3gn3 h HIS 140 Cb 0.04 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 3gn3 h HIS 140 CO -0.11 0.28 0.07 1.15 0.86 0.00 0.00 177.93 180.18 3gn3 h THR 141 N 0.49 1.20 -0.54 2.45 2.02 -1.21 0.61 112.91 117.94 3gn3 h THR 141 Ca 0.14 -0.66 -0.05 0.00 0.77 0.00 0.00 66.41 66.62 3gn3 h THR 141 Cb -0.04 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 3gn3 h THR 141 CO -0.04 0.21 0.14 0.50 0.37 0.00 0.00 175.52 176.70 3gn3 h LYS 142 N 0.24 0.82 -0.08 6.66 3.64 -0.63 0.84 116.57 128.06 3gn3 h LYS 142 Ca 0.08 -0.16 -0.10 0.00 -1.27 0.00 0.00 60.65 59.20 3gn3 h LYS 142 Cb 0.26 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3gn3 h LYS 142 CO -0.00 0.74 -0.33 -0.92 -2.27 0.00 0.00 179.45 176.67 3gn3 h TYR 143 N 0.80 0.49 -0.32 1.91 3.20 -0.83 -0.52 116.97 121.68 3gn3 h TYR 143 Ca 0.18 -0.21 0.07 0.00 3.14 0.00 0.00 58.73 61.91 3gn3 h TYR 143 Cb 0.28 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.41 3gn3 h TYR 143 CO 0.02 0.94 -0.10 0.00 -1.64 0.00 0.00 178.16 177.38 3gn3 h ALA 144 N 0.45 0.18 -0.67 1.82 0.00 -0.64 -2.54 119.26 117.87 3gn3 h ALA 144 Ca -0.02 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3gn3 h ALA 144 Cb 0.97 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3gn3 h ALA 144 CO 0.07 -0.48 0.09 0.00 0.00 0.00 0.00 179.25 178.93 3gn3 h ARG 145 N -0.03 1.12 -0.11 0.00 3.08 -0.71 -1.46 114.38 116.27 3gn3 h ARG 145 Ca 0.16 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 3gn3 h ARG 145 Cb 0.27 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3gn3 h ARG 145 CO -0.35 1.03 0.03 0.37 -1.07 0.00 0.00 179.97 179.98 3gn3 h GLN 146 N 1.04 0.15 -0.01 0.04 4.15 -0.96 -2.28 115.11 117.23 3gn3 h GLN 146 Ca 0.20 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.61 3gn3 h GLN 146 Cb 0.47 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.13 3gn3 h GLN 146 CO 0.02 0.14 -0.12 0.09 -1.93 0.00 0.00 178.83 177.02 3gn3 n ASN 147 N -4.48 1.51 -0.47 -0.69 3.02 -0.65 -4.94 115.26 108.56 3gn3 n ASN 147 Ca -0.01 -1.33 -0.05 0.00 -0.03 0.00 0.00 54.58 53.15 3gn3 n ASN 147 Cb 0.12 0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.35 3gn3 n ASN 147 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gn3 n GLY 148 N 1.26 0.56 3.68 7.41 0.00 -0.65 -4.98 105.19 112.49 3gn3 n GLY 148 Ca 0.16 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 3gn3 n GLY 148 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gn3 s ILE 149 N -2.22 3.60 0.05 -0.61 1.09 -0.78 -4.88 121.20 117.45 3gn3 s ILE 149 Ca 0.00 0.94 -0.01 0.00 -1.10 0.00 0.00 60.65 60.48 3gn3 s ILE 149 Cb 0.00 -3.61 -0.00 0.00 -1.06 0.00 0.00 42.46 37.79 3gn3 s ILE 149 CO 0.00 -0.02 -0.02 1.57 -0.10 0.00 0.00 174.94 176.37 3gn3 n HIS 150 N 5.79 0.00 -2.03 3.97 -0.00 -1.26 -4.78 115.22 116.90 3gn3 n HIS 150 Ca 0.14 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.91 3gn3 n HIS 150 Cb 0.43 -0.03 -0.02 0.00 -0.12 0.00 0.00 29.99 30.25 3gn3 n HIS 150 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 3gn3 s VAL 151 N -1.72 2.66 -0.14 3.57 1.01 -1.26 -5.04 120.40 119.48 3gn3 s VAL 151 Ca -0.02 0.58 -0.04 0.00 0.00 0.00 0.00 61.98 62.50 3gn3 s VAL 151 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 3gn3 s VAL 151 CO 0.03 0.11 0.01 -0.94 0.00 0.00 0.00 175.10 174.31 3gn3 s SER 152 N 0.11 5.26 0.63 3.32 1.04 -1.26 -3.45 113.70 119.35 3gn3 s SER 152 Ca 0.56 0.06 -0.11 0.00 0.48 0.00 0.00 55.95 56.94 3gn3 s SER 152 Cb -0.41 -1.73 -0.03 0.00 0.10 0.00 0.00 66.02 63.95 3gn3 s SER 152 CO 0.47 0.26 1.04 -2.16 0.98 0.00 0.00 173.24 173.83 3gn3 s PRO 153 N -0.16 3.49 0.00 4.02 0.04 -1.26 -4.46 135.00 136.68 3gn3 s PRO 153 Ca 0.05 0.71 0.04 0.00 0.04 0.00 0.00 61.00 61.84 3gn3 s PRO 153 Cb -0.12 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 3gn3 s PRO 153 CO 0.02 -0.64 -0.14 0.99 0.04 0.00 0.00 177.00 177.28 3gn3 s THR 154 N -3.20 1.07 -0.11 1.26 2.01 -1.07 -4.96 115.64 110.62 3gn3 s THR 154 Ca 0.55 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.88 3gn3 s THR 154 Cb -0.11 -0.91 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 3gn3 s THR 154 CO 0.54 0.22 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.18 3gn3 s PHE 155 N -0.46 2.77 0.06 4.92 0.08 -1.26 -0.66 117.98 123.43 3gn3 s PHE 155 Ca 0.04 -0.57 0.09 0.00 0.12 0.00 0.00 56.93 56.61 3gn3 s PHE 155 Cb -0.06 -1.79 -0.03 0.00 -0.57 0.00 0.00 43.02 40.57 3gn3 s PHE 155 CO -0.00 -0.15 -0.24 -1.64 -0.10 0.00 0.00 175.22 173.09 3gn3 s MET 156 N 0.14 1.60 -0.12 0.44 -1.94 0.68 -0.15 119.30 119.94 3gn3 s MET 156 Ca -0.07 -1.08 0.01 0.00 -1.71 0.00 0.00 55.69 52.84 3gn3 s MET 156 Cb -0.15 -1.79 0.02 0.00 2.01 0.00 0.00 34.83 34.92 3gn3 s MET 156 CO 0.05 0.46 -0.14 0.42 -0.01 0.00 0.00 175.02 175.79 3gn3 s ILE 157 N -0.84 1.48 -1.63 2.53 1.01 -0.38 -0.80 121.20 122.56 3gn3 s ILE 157 Ca 0.10 -0.61 -0.17 0.00 0.00 0.00 0.00 60.65 59.97 3gn3 s ILE 157 Cb -0.10 -1.37 0.14 0.00 0.01 0.00 0.00 42.46 41.14 3gn3 s ILE 157 CO 0.02 0.44 0.78 0.59 0.00 0.00 0.00 174.94 176.78 3gn3 n ASN 158 N 4.43 -3.57 0.00 3.58 5.03 0.05 -1.90 115.26 122.88 3gn3 n ASN 158 Ca -0.18 -0.90 0.00 0.00 0.87 0.00 0.00 54.58 54.37 3gn3 n ASN 158 Cb 0.51 -2.92 0.00 0.00 -1.02 0.00 0.00 39.78 36.35 3gn3 n ASN 158 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3gn3 n GLY 159 N -1.39 1.35 3.66 7.41 0.00 -1.26 -5.04 105.19 109.91 3gn3 n GLY 159 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3gn3 n GLY 159 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gn3 s LEU 160 N 0.00 3.81 0.31 0.99 1.43 -0.80 -5.05 118.68 119.37 3gn3 s LEU 160 Ca 0.00 0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 52.92 3gn3 s LEU 160 Cb 0.00 -1.95 -0.11 0.00 0.03 0.00 0.00 46.19 44.16 3gn3 s LEU 160 CO 0.00 0.22 1.55 -0.69 0.23 0.00 0.00 176.35 177.67 3gn3 s VAL 161 N 0.07 2.11 -0.52 -1.59 1.01 -1.26 -1.25 120.40 118.97 3gn3 s VAL 161 Ca 0.05 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 3gn3 s VAL 161 Cb -0.12 -3.06 0.14 0.00 0.00 0.00 0.00 36.38 33.33 3gn3 s VAL 161 CO 0.01 0.02 0.32 -1.10 0.00 0.00 0.00 175.10 174.34 3gn3 s GLN 162 N -0.90 2.24 0.39 2.72 -1.52 0.78 -4.91 119.66 118.46 3gn3 s GLN 162 Ca 0.60 -2.28 0.08 0.00 -1.95 0.00 0.00 55.36 51.81 3gn3 s GLN 162 Cb -0.47 -3.60 0.79 0.00 -0.22 0.00 0.00 33.01 29.52 3gn3 s GLN 162 CO 0.51 -1.12 1.97 -1.35 -0.25 0.00 0.00 175.29 175.06 3gn3 h PRO 163 N 7.31 0.41 0.00 2.91 0.11 -1.94 -2.69 132.00 138.12 3gn3 h PRO 163 Ca -0.06 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.99 3gn3 h PRO 163 Cb 0.98 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3gn3 h PRO 163 CO 0.69 0.40 0.00 0.41 -0.21 0.00 0.00 178.00 179.29 3gn3 n GLY 164 N -1.13 -1.08 3.80 -0.55 0.00 -1.26 -4.81 105.19 100.16 3gn3 n GLY 164 Ca 0.01 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 3gn3 n GLY 164 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gn3 s MET 165 N -3.01 4.37 0.08 1.61 -1.94 -1.01 -5.07 119.30 114.34 3gn3 s MET 165 Ca 0.08 0.97 0.04 0.00 -1.71 0.00 0.00 55.69 55.07 3gn3 s MET 165 Cb 0.11 -3.09 -0.03 0.00 2.01 0.00 0.00 34.83 33.82 3gn3 s MET 165 CO 0.30 0.51 -0.11 0.45 -0.01 0.00 0.00 175.02 176.16 3gn3 s SER 166 N -1.36 1.43 0.00 3.03 0.15 -1.26 -4.89 113.70 110.80 3gn3 s SER 166 Ca 0.38 -0.72 0.11 0.00 0.70 0.00 0.00 55.95 56.41 3gn3 s SER 166 Cb -0.20 -0.00 0.48 0.00 -1.71 0.00 0.00 66.02 64.59 3gn3 s SER 166 CO 0.23 -0.20 1.33 -1.54 1.20 0.00 0.00 173.24 174.25 3gn3 n SER 167 N 0.88 0.00 -0.03 5.45 3.41 -1.26 -1.98 113.62 120.08 3gn3 n SER 167 Ca -0.18 0.44 0.12 0.00 -0.26 0.00 0.00 58.87 58.99 3gn3 n SER 167 Cb 0.56 -0.47 0.23 0.00 -0.26 0.00 0.00 64.21 64.28 3gn3 n SER 167 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gn3 n GLY 168 N -0.38 -1.14 3.73 5.00 0.00 -1.26 -4.30 105.19 106.84 3gn3 n GLY 168 Ca 0.03 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 3gn3 n GLY 168 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gn3 s ASP 169 N -2.94 4.34 0.36 1.61 1.01 -0.84 -4.99 116.67 115.23 3gn3 s ASP 169 Ca 0.12 2.34 -0.26 0.00 0.71 0.00 0.00 52.55 55.46 3gn3 s ASP 169 Cb 0.18 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.43 3gn3 s ASP 169 CO 0.69 -2.16 1.14 -2.16 0.21 0.00 0.00 175.17 172.89 3gn3 s PRO 170 N -3.86 4.25 0.37 8.23 0.04 -1.26 -4.93 135.00 137.84 3gn3 s PRO 170 Ca 0.74 1.80 0.19 0.00 0.04 0.00 0.00 61.00 63.77 3gn3 s PRO 170 Cb -0.29 -2.81 1.19 0.00 0.04 0.00 0.00 34.50 32.63 3gn3 s PRO 170 CO 0.44 -0.14 1.65 0.28 0.04 0.00 0.00 177.00 179.27 3gn3 h VAL 171 N 2.55 0.23 -0.07 -0.36 2.07 -1.94 0.19 116.25 118.93 3gn3 h VAL 171 Ca -0.48 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 3gn3 h VAL 171 Cb 1.22 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3gn3 h VAL 171 CO 0.64 0.04 -0.03 0.77 0.02 0.00 0.00 177.57 179.01 3gn3 h SER 172 N 0.23 0.09 -0.25 0.57 4.64 -1.98 -0.46 113.55 116.39 3gn3 h SER 172 Ca 0.76 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.98 3gn3 h SER 172 Cb 1.92 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.99 3gn3 h SER 172 CO -0.58 0.14 -0.22 0.50 -0.87 0.00 0.00 176.83 175.80 3gn3 h LYS 173 N 0.10 0.58 -0.69 4.77 3.64 -1.00 -2.49 116.57 121.48 3gn3 h LYS 173 Ca 0.02 -0.30 0.08 0.00 -1.27 0.00 0.00 60.65 59.19 3gn3 h LYS 173 Cb 0.13 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.89 3gn3 h LYS 173 CO 0.01 0.89 0.35 -1.49 -2.27 0.00 0.00 179.45 176.93 3gn3 h TRP 174 N 0.29 0.63 -0.38 1.91 4.06 -1.18 0.25 115.95 121.52 3gn3 h TRP 174 Ca 0.04 0.03 0.05 0.00 2.06 0.00 0.00 58.89 61.07 3gn3 h TRP 174 Cb 0.77 -0.18 -0.04 0.00 -1.00 0.00 0.00 29.16 28.70 3gn3 h TRP 174 CO 0.07 0.24 0.13 0.28 -3.56 0.00 0.00 178.44 175.60 3gn3 h VAL 175 N 0.61 0.88 0.00 1.49 2.07 -1.03 0.19 116.25 120.46 3gn3 h VAL 175 Ca 0.33 -0.10 -0.14 0.00 0.82 0.00 0.00 66.70 67.62 3gn3 h VAL 175 Cb 0.32 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3gn3 h VAL 175 CO -0.25 0.05 -0.66 0.77 0.02 0.00 0.00 177.57 177.50 3gn3 h SER 176 N 0.28 0.00 -0.17 0.57 4.64 -0.96 -2.68 113.55 115.23 3gn3 h SER 176 Ca 0.18 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.51 3gn3 h SER 176 Cb 0.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 3gn3 h SER 176 CO -0.19 0.66 0.08 0.44 -0.87 0.00 0.00 176.83 176.95 3gn3 h ASP 177 N 0.00 0.12 0.23 4.97 3.32 0.09 -2.63 116.42 122.53 3gn3 h ASP 177 Ca -0.01 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 3gn3 h ASP 177 Cb 1.26 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 3gn3 h ASP 177 CO 0.09 0.09 -0.22 0.40 -1.72 0.00 0.00 179.24 177.88 3gn3 h ILE 178 N 0.17 1.13 0.00 0.35 2.04 -0.60 -3.51 117.51 117.09 3gn3 h ILE 178 Ca 0.07 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.17 3gn3 h ILE 178 Cb 0.02 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3gn3 h ILE 178 CO -0.05 0.21 0.00 0.61 0.00 0.00 0.00 178.15 178.92